USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 291 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 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= -0.775 (180deg=-0.831) USER MOD Single : A 42 SER OG : rot 89:sc= 0.0169 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= -0.0439 (180deg=-0.381) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N GLY A 9 -0.387 -17.820 -11.498 1.00 0.00 N ATOM 125 CA GLY A 9 0.120 -17.467 -12.815 1.00 0.00 C ATOM 126 C GLY A 9 1.535 -16.912 -12.713 1.00 0.00 C ATOM 127 O GLY A 9 2.317 -17.005 -13.658 1.00 0.00 O ATOM 0 HA2 GLY A 9 0.114 -18.345 -13.461 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.534 -16.727 -13.276 1.00 0.00 H new ATOM 131 N LEU A 10 1.860 -16.330 -11.559 1.00 0.00 N ATOM 132 CA LEU A 10 3.183 -15.764 -11.352 1.00 0.00 C ATOM 133 C LEU A 10 4.253 -16.843 -11.447 1.00 0.00 C ATOM 134 O LEU A 10 5.318 -16.622 -12.022 1.00 0.00 O ATOM 135 CB LEU A 10 3.253 -15.082 -9.983 1.00 0.00 C ATOM 136 CG LEU A 10 4.629 -14.382 -9.794 1.00 0.00 C ATOM 137 CD1 LEU A 10 4.447 -13.078 -9.008 1.00 0.00 C ATOM 138 CD2 LEU A 10 5.596 -15.293 -9.018 1.00 0.00 C ATOM 0 H LEU A 10 1.229 -16.241 -10.763 1.00 0.00 H new ATOM 0 HA LEU A 10 3.366 -15.025 -12.132 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.450 -14.350 -9.893 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.102 -15.819 -9.194 1.00 0.00 H new ATOM 0 HG LEU A 10 5.042 -14.171 -10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.415 -12.593 -8.879 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.778 -12.414 -9.555 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.019 -13.299 -8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.553 -14.787 -8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.176 -15.518 -8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.744 -16.221 -9.571 1.00 0.00 H new ATOM 150 N ILE A 11 3.970 -18.007 -10.869 1.00 0.00 N ATOM 151 CA ILE A 11 4.924 -19.109 -10.880 1.00 0.00 C ATOM 152 C ILE A 11 5.236 -19.532 -12.309 1.00 0.00 C ATOM 153 O ILE A 11 6.392 -19.736 -12.647 1.00 0.00 O ATOM 154 CB ILE A 11 4.349 -20.298 -10.076 1.00 0.00 C ATOM 155 CG1 ILE A 11 4.543 -20.054 -8.572 1.00 0.00 C ATOM 156 CG2 ILE A 11 5.053 -21.605 -10.464 1.00 0.00 C ATOM 157 CD1 ILE A 11 4.050 -18.655 -8.201 1.00 0.00 C ATOM 0 H ILE A 11 3.093 -18.210 -10.390 1.00 0.00 H new ATOM 0 HA ILE A 11 5.853 -18.780 -10.415 1.00 0.00 H new ATOM 0 HB ILE A 11 3.287 -20.382 -10.305 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.997 -20.804 -8.000 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.596 -20.158 -8.311 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.634 -22.429 -9.887 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.907 -21.795 -11.527 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.119 -21.520 -10.254 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.191 -18.491 -7.133 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.615 -17.910 -8.761 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.991 -18.566 -8.445 1.00 0.00 H new ATOM 169 N LEU A 12 4.217 -19.652 -13.141 1.00 0.00 N ATOM 170 CA LEU A 12 4.431 -20.060 -14.516 1.00 0.00 C ATOM 171 C LEU A 12 5.370 -19.082 -15.200 1.00 0.00 C ATOM 172 O LEU A 12 6.320 -19.495 -15.855 1.00 0.00 O ATOM 173 CB LEU A 12 3.088 -20.090 -15.238 1.00 0.00 C ATOM 174 CG LEU A 12 3.262 -20.560 -16.686 1.00 0.00 C ATOM 175 CD1 LEU A 12 3.813 -21.996 -16.717 1.00 0.00 C ATOM 176 CD2 LEU A 12 1.898 -20.511 -17.385 1.00 0.00 C ATOM 0 H LEU A 12 3.244 -19.475 -12.892 1.00 0.00 H new ATOM 0 HA LEU A 12 4.880 -21.053 -14.543 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.403 -20.756 -14.714 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.640 -19.097 -15.224 1.00 0.00 H new ATOM 0 HG LEU A 12 3.969 -19.908 -17.200 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.932 -22.318 -17.752 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.780 -22.026 -16.214 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.118 -22.663 -16.207 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.006 -20.843 -18.418 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.199 -21.166 -16.865 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.518 -19.489 -17.370 1.00 0.00 H new ATOM 188 N ILE A 13 5.121 -17.792 -15.013 1.00 0.00 N ATOM 189 CA ILE A 13 5.976 -16.763 -15.589 1.00 0.00 C ATOM 190 C ILE A 13 7.360 -16.823 -14.972 1.00 0.00 C ATOM 191 O ILE A 13 8.369 -16.650 -15.656 1.00 0.00 O ATOM 192 CB ILE A 13 5.363 -15.369 -15.352 1.00 0.00 C ATOM 193 CG1 ILE A 13 4.240 -15.105 -16.383 1.00 0.00 C ATOM 194 CG2 ILE A 13 6.451 -14.280 -15.439 1.00 0.00 C ATOM 195 CD1 ILE A 13 4.817 -14.566 -17.704 1.00 0.00 C ATOM 0 H ILE A 13 4.336 -17.434 -14.468 1.00 0.00 H new ATOM 0 HA ILE A 13 6.057 -16.941 -16.661 1.00 0.00 H new ATOM 0 HB ILE A 13 4.932 -15.338 -14.351 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.691 -16.028 -16.572 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.528 -14.388 -15.974 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.001 -13.302 -15.269 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.213 -14.465 -14.682 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.909 -14.302 -16.428 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.006 -14.389 -18.410 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.344 -13.631 -17.516 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.510 -15.296 -18.123 1.00 0.00 H new ATOM 207 N PHE A 14 7.397 -17.012 -13.669 1.00 0.00 N ATOM 208 CA PHE A 14 8.655 -17.032 -12.965 1.00 0.00 C ATOM 209 C PHE A 14 9.567 -18.098 -13.553 1.00 0.00 C ATOM 210 O PHE A 14 10.760 -17.872 -13.749 1.00 0.00 O ATOM 211 CB PHE A 14 8.400 -17.295 -11.483 1.00 0.00 C ATOM 212 CG PHE A 14 9.541 -16.753 -10.648 1.00 0.00 C ATOM 213 CD1 PHE A 14 9.803 -15.377 -10.639 1.00 0.00 C ATOM 214 CD2 PHE A 14 10.336 -17.620 -9.892 1.00 0.00 C ATOM 215 CE1 PHE A 14 10.861 -14.870 -9.878 1.00 0.00 C ATOM 216 CE2 PHE A 14 11.393 -17.112 -9.128 1.00 0.00 C ATOM 217 CZ PHE A 14 11.657 -15.738 -9.121 1.00 0.00 C ATOM 0 H PHE A 14 6.574 -17.153 -13.082 1.00 0.00 H new ATOM 0 HA PHE A 14 9.149 -16.067 -13.073 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.464 -16.826 -11.180 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.291 -18.366 -11.310 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.187 -14.707 -11.220 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.135 -18.681 -9.898 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.064 -13.809 -9.874 1.00 0.00 H new ATOM 0 HE2 PHE A 14 12.006 -17.782 -8.543 1.00 0.00 H new ATOM 0 HZ PHE A 14 12.474 -15.347 -8.532 1.00 0.00 H new ATOM 227 N VAL A 15 8.986 -19.252 -13.838 1.00 0.00 N ATOM 228 CA VAL A 15 9.738 -20.363 -14.404 1.00 0.00 C ATOM 229 C VAL A 15 10.411 -19.929 -15.699 1.00 0.00 C ATOM 230 O VAL A 15 11.571 -20.257 -15.948 1.00 0.00 O ATOM 231 CB VAL A 15 8.786 -21.525 -14.689 1.00 0.00 C ATOM 232 CG1 VAL A 15 9.611 -22.757 -15.091 1.00 0.00 C ATOM 233 CG2 VAL A 15 7.925 -21.822 -13.435 1.00 0.00 C ATOM 0 H VAL A 15 7.996 -19.445 -13.687 1.00 0.00 H new ATOM 0 HA VAL A 15 10.502 -20.679 -13.694 1.00 0.00 H new ATOM 0 HB VAL A 15 8.113 -21.265 -15.506 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.941 -23.592 -15.297 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.193 -22.530 -15.984 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.285 -23.025 -14.278 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.249 -22.651 -13.646 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.575 -22.087 -12.601 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.344 -20.937 -13.175 1.00 0.00 H new ATOM 243 N ILE A 16 9.674 -19.186 -16.513 1.00 0.00 N ATOM 244 CA ILE A 16 10.210 -18.700 -17.787 1.00 0.00 C ATOM 245 C ILE A 16 11.530 -17.992 -17.552 1.00 0.00 C ATOM 246 O ILE A 16 12.418 -18.011 -18.400 1.00 0.00 O ATOM 247 CB ILE A 16 9.234 -17.735 -18.452 1.00 0.00 C ATOM 248 CG1 ILE A 16 7.852 -18.380 -18.497 1.00 0.00 C ATOM 249 CG2 ILE A 16 9.707 -17.406 -19.869 1.00 0.00 C ATOM 250 CD1 ILE A 16 7.906 -19.746 -19.193 1.00 0.00 C ATOM 0 H ILE A 16 8.712 -18.906 -16.321 1.00 0.00 H new ATOM 0 HA ILE A 16 10.361 -19.557 -18.444 1.00 0.00 H new ATOM 0 HB ILE A 16 9.186 -16.809 -17.879 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.469 -18.499 -17.483 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.158 -17.726 -19.025 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.004 -16.716 -20.336 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.693 -16.944 -19.825 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.761 -18.323 -20.457 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.908 -20.184 -19.212 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.266 -19.620 -20.214 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.582 -20.405 -18.648 1.00 0.00 H new ATOM 262 N ALA A 17 11.644 -17.374 -16.394 1.00 0.00 N ATOM 263 CA ALA A 17 12.866 -16.670 -16.023 1.00 0.00 C ATOM 264 C ALA A 17 13.911 -17.667 -15.513 1.00 0.00 C ATOM 265 O ALA A 17 15.104 -17.506 -15.731 1.00 0.00 O ATOM 266 CB ALA A 17 12.545 -15.627 -14.936 1.00 0.00 C ATOM 0 H ALA A 17 10.907 -17.342 -15.689 1.00 0.00 H new ATOM 0 HA ALA A 17 13.272 -16.161 -16.897 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.457 -15.100 -14.657 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.816 -14.913 -15.320 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.134 -16.129 -14.060 1.00 0.00 H new ATOM 272 N LEU A 18 13.451 -18.689 -14.818 1.00 0.00 N ATOM 273 CA LEU A 18 14.348 -19.684 -14.262 1.00 0.00 C ATOM 274 C LEU A 18 15.056 -20.471 -15.349 1.00 0.00 C ATOM 275 O LEU A 18 16.249 -20.751 -15.248 1.00 0.00 O ATOM 276 CB LEU A 18 13.551 -20.646 -13.384 1.00 0.00 C ATOM 277 CG LEU A 18 12.881 -19.920 -12.208 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.488 -20.948 -11.167 1.00 0.00 C ATOM 279 CD2 LEU A 18 13.826 -18.917 -11.571 1.00 0.00 C ATOM 0 H LEU A 18 12.463 -18.852 -14.625 1.00 0.00 H new ATOM 0 HA LEU A 18 15.104 -19.165 -13.673 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.790 -21.143 -13.986 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.213 -21.423 -13.002 1.00 0.00 H new ATOM 0 HG LEU A 18 12.008 -19.384 -12.581 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.010 -20.448 -10.324 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.793 -21.663 -11.606 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.378 -21.473 -10.820 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.323 -18.419 -10.742 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.711 -19.435 -11.201 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.124 -18.176 -12.313 1.00 0.00 H new ATOM 291 N ILE A 19 14.323 -20.838 -16.379 1.00 0.00 N ATOM 292 CA ILE A 19 14.918 -21.607 -17.456 1.00 0.00 C ATOM 293 C ILE A 19 16.081 -20.838 -18.072 1.00 0.00 C ATOM 294 O ILE A 19 17.134 -21.408 -18.359 1.00 0.00 O ATOM 295 CB ILE A 19 13.857 -21.931 -18.510 1.00 0.00 C ATOM 296 CG1 ILE A 19 14.508 -22.548 -19.747 1.00 0.00 C ATOM 297 CG2 ILE A 19 13.113 -20.663 -18.902 1.00 0.00 C ATOM 298 CD1 ILE A 19 13.412 -23.099 -20.658 1.00 0.00 C ATOM 0 H ILE A 19 13.333 -20.622 -16.495 1.00 0.00 H new ATOM 0 HA ILE A 19 15.306 -22.544 -17.057 1.00 0.00 H new ATOM 0 HB ILE A 19 13.153 -22.647 -18.087 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.097 -21.799 -20.276 1.00 0.00 H new ATOM 0 HG13 ILE A 19 15.192 -23.345 -19.455 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.359 -20.901 -19.653 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.628 -20.239 -18.023 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.818 -19.940 -19.312 1.00 0.00 H new ATOM 0 HD11 ILE A 19 13.865 -23.542 -21.545 1.00 0.00 H new ATOM 0 HD12 ILE A 19 12.842 -23.859 -20.123 1.00 0.00 H new ATOM 0 HD13 ILE A 19 12.746 -22.289 -20.957 1.00 0.00 H new ATOM 310 N ILE A 20 15.891 -19.538 -18.256 1.00 0.00 N ATOM 311 CA ILE A 20 16.935 -18.691 -18.820 1.00 0.00 C ATOM 312 C ILE A 20 17.947 -18.287 -17.743 1.00 0.00 C ATOM 313 O ILE A 20 19.146 -18.213 -18.014 1.00 0.00 O ATOM 314 CB ILE A 20 16.311 -17.451 -19.474 1.00 0.00 C ATOM 315 CG1 ILE A 20 17.422 -16.498 -20.004 1.00 0.00 C ATOM 316 CG2 ILE A 20 15.404 -16.752 -18.464 1.00 0.00 C ATOM 317 CD1 ILE A 20 17.656 -15.325 -19.048 1.00 0.00 C ATOM 0 H ILE A 20 15.027 -19.048 -18.024 1.00 0.00 H new ATOM 0 HA ILE A 20 17.468 -19.257 -19.585 1.00 0.00 H new ATOM 0 HB ILE A 20 15.708 -17.751 -20.331 1.00 0.00 H new ATOM 0 HG12 ILE A 20 18.350 -17.055 -20.133 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.139 -16.118 -20.986 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.958 -15.870 -18.924 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.615 -17.435 -18.150 1.00 0.00 H new ATOM 0 HG23 ILE A 20 15.990 -16.451 -17.596 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.438 -14.680 -19.449 1.00 0.00 H new ATOM 0 HD12 ILE A 20 16.734 -14.754 -18.940 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.963 -15.705 -18.074 1.00 0.00 H new ATOM 329 N PHE A 21 17.466 -18.027 -16.517 1.00 0.00 N ATOM 330 CA PHE A 21 18.357 -17.638 -15.421 1.00 0.00 C ATOM 331 C PHE A 21 18.734 -18.850 -14.573 1.00 0.00 C ATOM 332 O PHE A 21 19.876 -19.308 -14.621 1.00 0.00 O ATOM 333 CB PHE A 21 17.708 -16.566 -14.539 1.00 0.00 C ATOM 334 CG PHE A 21 17.510 -15.295 -15.348 1.00 0.00 C ATOM 335 CD1 PHE A 21 18.617 -14.617 -15.887 1.00 0.00 C ATOM 336 CD2 PHE A 21 16.218 -14.805 -15.579 1.00 0.00 C ATOM 337 CE1 PHE A 21 18.424 -13.457 -16.650 1.00 0.00 C ATOM 338 CE2 PHE A 21 16.031 -13.648 -16.343 1.00 0.00 C ATOM 339 CZ PHE A 21 17.132 -12.976 -16.879 1.00 0.00 C ATOM 0 H PHE A 21 16.479 -18.079 -16.265 1.00 0.00 H new ATOM 0 HA PHE A 21 19.263 -17.223 -15.863 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.750 -16.922 -14.161 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.337 -16.364 -13.672 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.616 -14.990 -15.713 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.364 -15.322 -15.166 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.275 -12.934 -17.061 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.033 -13.274 -16.519 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.985 -12.084 -17.471 1.00 0.00 H new ATOM 349 N GLY A 22 17.775 -19.384 -13.800 1.00 0.00 N ATOM 350 CA GLY A 22 18.035 -20.552 -12.961 1.00 0.00 C ATOM 351 C GLY A 22 17.710 -20.254 -11.495 1.00 0.00 C ATOM 352 O GLY A 22 17.953 -19.145 -11.019 1.00 0.00 O ATOM 0 H GLY A 22 16.822 -19.025 -13.742 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.435 -21.394 -13.307 1.00 0.00 H new ATOM 0 HA3 GLY A 22 19.081 -20.846 -13.054 1.00 0.00 H new ATOM 356 N PRO A 23 17.176 -21.210 -10.771 1.00 0.00 N ATOM 357 CA PRO A 23 16.829 -21.023 -9.331 1.00 0.00 C ATOM 358 C PRO A 23 18.074 -20.975 -8.444 1.00 0.00 C ATOM 359 O PRO A 23 17.984 -20.714 -7.244 1.00 0.00 O ATOM 360 CB PRO A 23 15.959 -22.245 -9.010 1.00 0.00 C ATOM 361 CG PRO A 23 16.435 -23.294 -9.954 1.00 0.00 C ATOM 362 CD PRO A 23 16.836 -22.568 -11.232 1.00 0.00 C ATOM 0 HA PRO A 23 16.320 -20.077 -9.145 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.080 -22.558 -7.973 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.901 -22.029 -9.156 1.00 0.00 H new ATOM 0 HG2 PRO A 23 17.280 -23.840 -9.535 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.650 -24.025 -10.151 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.685 -23.050 -11.717 1.00 0.00 H new ATOM 0 HD3 PRO A 23 16.021 -22.553 -11.956 1.00 0.00 H new ATOM 422 N PRO A 27 18.924 -16.579 -6.495 1.00 0.00 N ATOM 423 CA PRO A 27 19.229 -16.345 -5.041 1.00 0.00 C ATOM 424 C PRO A 27 20.666 -15.875 -4.792 1.00 0.00 C ATOM 425 O PRO A 27 20.925 -15.085 -3.888 1.00 0.00 O ATOM 426 CB PRO A 27 18.962 -17.716 -4.413 1.00 0.00 C ATOM 427 CG PRO A 27 17.932 -18.286 -5.285 1.00 0.00 C ATOM 428 CD PRO A 27 18.416 -17.957 -6.678 1.00 0.00 C ATOM 0 HA PRO A 27 18.625 -15.543 -4.616 1.00 0.00 H new ATOM 0 HB2 PRO A 27 19.861 -18.333 -4.394 1.00 0.00 H new ATOM 0 HB3 PRO A 27 18.615 -17.627 -3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 27 17.835 -19.362 -5.139 1.00 0.00 H new ATOM 0 HG3 PRO A 27 16.954 -17.848 -5.088 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.196 -18.641 -7.014 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.613 -18.004 -7.413 1.00 0.00 H new ATOM 436 N GLU A 28 21.601 -16.342 -5.607 1.00 0.00 N ATOM 437 CA GLU A 28 22.986 -15.917 -5.454 1.00 0.00 C ATOM 438 C GLU A 28 23.081 -14.406 -5.669 1.00 0.00 C ATOM 439 O GLU A 28 23.761 -13.701 -4.923 1.00 0.00 O ATOM 440 CB GLU A 28 23.871 -16.653 -6.459 1.00 0.00 C ATOM 441 CG GLU A 28 25.310 -16.166 -6.335 1.00 0.00 C ATOM 442 CD GLU A 28 26.219 -16.979 -7.255 1.00 0.00 C ATOM 443 OE1 GLU A 28 25.689 -17.694 -8.089 1.00 0.00 O ATOM 444 OE2 GLU A 28 27.423 -16.877 -7.106 1.00 0.00 O ATOM 0 H GLU A 28 21.432 -17.002 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 28 23.331 -16.156 -4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.824 -17.727 -6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.506 -16.483 -7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 28 25.368 -15.109 -6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.646 -16.260 -5.302 1.00 0.00 H new ATOM 451 N ILE A 29 22.388 -13.922 -6.689 1.00 0.00 N ATOM 452 CA ILE A 29 22.388 -12.499 -6.998 1.00 0.00 C ATOM 453 C ILE A 29 21.716 -11.699 -5.886 1.00 0.00 C ATOM 454 O ILE A 29 22.204 -10.641 -5.489 1.00 0.00 O ATOM 455 CB ILE A 29 21.647 -12.256 -8.311 1.00 0.00 C ATOM 456 CG1 ILE A 29 22.433 -12.889 -9.452 1.00 0.00 C ATOM 457 CG2 ILE A 29 21.522 -10.751 -8.562 1.00 0.00 C ATOM 458 CD1 ILE A 29 21.589 -12.890 -10.726 1.00 0.00 C ATOM 0 H ILE A 29 21.820 -14.492 -7.316 1.00 0.00 H new ATOM 0 HA ILE A 29 23.423 -12.170 -7.089 1.00 0.00 H new ATOM 0 HB ILE A 29 20.652 -12.698 -8.253 1.00 0.00 H new ATOM 0 HG12 ILE A 29 23.358 -12.337 -9.618 1.00 0.00 H new ATOM 0 HG13 ILE A 29 22.713 -13.909 -9.190 1.00 0.00 H new ATOM 0 HG21 ILE A 29 20.993 -10.581 -9.500 1.00 0.00 H new ATOM 0 HG22 ILE A 29 20.968 -10.291 -7.744 1.00 0.00 H new ATOM 0 HG23 ILE A 29 22.516 -10.308 -8.621 1.00 0.00 H new ATOM 0 HD11 ILE A 29 22.157 -13.344 -11.538 1.00 0.00 H new ATOM 0 HD12 ILE A 29 20.676 -13.462 -10.557 1.00 0.00 H new ATOM 0 HD13 ILE A 29 21.331 -11.865 -10.992 1.00 0.00 H new ATOM 470 N GLY A 30 20.588 -12.201 -5.399 1.00 0.00 N ATOM 471 CA GLY A 30 19.861 -11.510 -4.345 1.00 0.00 C ATOM 472 C GLY A 30 20.729 -11.366 -3.103 1.00 0.00 C ATOM 473 O GLY A 30 20.760 -10.309 -2.474 1.00 0.00 O ATOM 0 H GLY A 30 20.162 -13.073 -5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 30 19.551 -10.525 -4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 30 18.954 -12.062 -4.099 1.00 0.00 H new ATOM 477 N ARG A 31 21.433 -12.437 -2.758 1.00 0.00 N ATOM 478 CA ARG A 31 22.298 -12.421 -1.590 1.00 0.00 C ATOM 479 C ARG A 31 23.447 -11.456 -1.785 1.00 0.00 C ATOM 480 O ARG A 31 23.748 -10.642 -0.920 1.00 0.00 O ATOM 481 CB ARG A 31 22.883 -13.804 -1.407 1.00 0.00 C ATOM 482 CG ARG A 31 21.784 -14.788 -1.020 1.00 0.00 C ATOM 483 CD ARG A 31 22.263 -16.197 -1.301 1.00 0.00 C ATOM 484 NE ARG A 31 21.497 -17.162 -0.521 1.00 0.00 N ATOM 485 CZ ARG A 31 21.825 -17.435 0.738 1.00 0.00 C ATOM 486 NH1 ARG A 31 22.848 -16.838 1.284 1.00 0.00 N ATOM 487 NH2 ARG A 31 21.123 -18.294 1.426 1.00 0.00 N ATOM 0 H ARG A 31 21.421 -13.321 -3.268 1.00 0.00 H new ATOM 0 HA ARG A 31 21.710 -12.114 -0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.365 -14.129 -2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 31 23.652 -13.783 -0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 31 21.535 -14.678 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 31 20.876 -14.579 -1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.161 -16.417 -2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 31 23.322 -16.283 -1.058 1.00 0.00 H new ATOM 0 HE ARG A 31 20.699 -17.634 -0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 31 23.393 -16.165 0.745 1.00 0.00 H new ATOM 0 HH12 ARG A 31 23.103 -17.044 2.250 1.00 0.00 H new ATOM 0 HH21 ARG A 31 20.321 -18.757 0.998 1.00 0.00 H new ATOM 0 HH22 ARG A 31 21.376 -18.502 2.392 1.00 0.00 H new ATOM 501 N ALA A 32 24.097 -11.568 -2.931 1.00 0.00 N ATOM 502 CA ALA A 32 25.232 -10.709 -3.223 1.00 0.00 C ATOM 503 C ALA A 32 24.779 -9.255 -3.249 1.00 0.00 C ATOM 504 O ALA A 32 25.471 -8.364 -2.754 1.00 0.00 O ATOM 505 CB ALA A 32 25.843 -11.086 -4.573 1.00 0.00 C ATOM 0 H ALA A 32 23.863 -12.236 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 32 25.986 -10.839 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 32 26.693 -10.436 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 32 26.178 -12.123 -4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.095 -10.968 -5.357 1.00 0.00 H new ATOM 511 N ALA A 33 23.598 -9.032 -3.808 1.00 0.00 N ATOM 512 CA ALA A 33 23.026 -7.696 -3.878 1.00 0.00 C ATOM 513 C ALA A 33 22.423 -7.317 -2.536 1.00 0.00 C ATOM 514 O ALA A 33 22.304 -6.143 -2.204 1.00 0.00 O ATOM 515 CB ALA A 33 21.926 -7.651 -4.940 1.00 0.00 C ATOM 0 H ALA A 33 23.016 -9.761 -4.220 1.00 0.00 H new ATOM 0 HA ALA A 33 23.819 -6.995 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 33 21.504 -6.647 -4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 33 22.347 -7.911 -5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 33 21.142 -8.363 -4.682 1.00 0.00 H new ATOM 521 N GLY A 34 22.003 -8.328 -1.791 1.00 0.00 N ATOM 522 CA GLY A 34 21.366 -8.093 -0.514 1.00 0.00 C ATOM 523 C GLY A 34 22.243 -7.243 0.397 1.00 0.00 C ATOM 524 O GLY A 34 21.805 -6.216 0.907 1.00 0.00 O ATOM 0 H GLY A 34 22.093 -9.310 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 34 20.409 -7.594 -0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.154 -9.047 -0.031 1.00 0.00 H new ATOM 528 N ARG A 35 23.483 -7.673 0.587 1.00 0.00 N ATOM 529 CA ARG A 35 24.417 -6.951 1.433 1.00 0.00 C ATOM 530 C ARG A 35 24.713 -5.574 0.870 1.00 0.00 C ATOM 531 O ARG A 35 24.749 -4.597 1.610 1.00 0.00 O ATOM 532 CB ARG A 35 25.713 -7.756 1.540 1.00 0.00 C ATOM 533 CG ARG A 35 25.532 -8.868 2.562 1.00 0.00 C ATOM 534 CD ARG A 35 24.295 -9.708 2.244 1.00 0.00 C ATOM 535 NE ARG A 35 23.089 -9.033 2.705 1.00 0.00 N ATOM 536 CZ ARG A 35 21.885 -9.520 2.429 1.00 0.00 C ATOM 537 NH1 ARG A 35 21.771 -10.617 1.731 1.00 0.00 N ATOM 538 NH2 ARG A 35 20.818 -8.904 2.856 1.00 0.00 N ATOM 0 H ARG A 35 23.864 -8.520 0.165 1.00 0.00 H new ATOM 0 HA ARG A 35 23.971 -6.822 2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 35 25.974 -8.178 0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 35 26.536 -7.105 1.836 1.00 0.00 H new ATOM 0 HG2 ARG A 35 26.416 -9.505 2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 35 25.438 -8.438 3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 35 24.233 -9.883 1.170 1.00 0.00 H new ATOM 0 HD3 ARG A 35 24.378 -10.684 2.722 1.00 0.00 H new ATOM 0 HE ARG A 35 23.171 -8.173 3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 35 22.606 -11.099 1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 35 20.847 -10.992 1.518 1.00 0.00 H new ATOM 0 HH21 ARG A 35 20.908 -8.047 3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 35 19.893 -9.279 2.644 1.00 0.00 H new ATOM 552 N THR A 36 24.908 -5.506 -0.433 1.00 0.00 N ATOM 553 CA THR A 36 25.186 -4.240 -1.089 1.00 0.00 C ATOM 554 C THR A 36 23.986 -3.317 -0.952 1.00 0.00 C ATOM 555 O THR A 36 24.123 -2.126 -0.690 1.00 0.00 O ATOM 556 CB THR A 36 25.497 -4.492 -2.573 1.00 0.00 C ATOM 557 OG1 THR A 36 26.819 -4.996 -2.698 1.00 0.00 O ATOM 558 CG2 THR A 36 25.358 -3.197 -3.378 1.00 0.00 C ATOM 0 H THR A 36 24.879 -6.311 -1.059 1.00 0.00 H new ATOM 0 HA THR A 36 26.048 -3.766 -0.620 1.00 0.00 H new ATOM 0 HB THR A 36 24.787 -5.221 -2.964 1.00 0.00 H new ATOM 0 HG1 THR A 36 27.019 -5.159 -3.643 1.00 0.00 H new ATOM 0 HG21 THR A 36 25.582 -3.394 -4.426 1.00 0.00 H new ATOM 0 HG22 THR A 36 24.339 -2.821 -3.289 1.00 0.00 H new ATOM 0 HG23 THR A 36 26.054 -2.452 -2.992 1.00 0.00 H new ATOM 566 N LEU A 37 22.813 -3.875 -1.155 1.00 0.00 N ATOM 567 CA LEU A 37 21.590 -3.107 -1.069 1.00 0.00 C ATOM 568 C LEU A 37 21.249 -2.772 0.372 1.00 0.00 C ATOM 569 O LEU A 37 20.705 -1.710 0.675 1.00 0.00 O ATOM 570 CB LEU A 37 20.464 -3.890 -1.697 1.00 0.00 C ATOM 571 CG LEU A 37 20.699 -3.980 -3.210 1.00 0.00 C ATOM 572 CD1 LEU A 37 19.822 -5.087 -3.797 1.00 0.00 C ATOM 573 CD2 LEU A 37 20.342 -2.646 -3.903 1.00 0.00 C ATOM 0 H LEU A 37 22.680 -4.861 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 37 21.732 -2.168 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.413 -4.889 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.509 -3.405 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 37 21.753 -4.198 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.989 -5.151 -4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.078 -6.039 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.773 -4.860 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.517 -2.735 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.292 -2.413 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.965 -1.848 -3.499 1.00 0.00 H new ATOM 585 N LEU A 38 21.571 -3.702 1.247 1.00 0.00 N ATOM 586 CA LEU A 38 21.306 -3.550 2.667 1.00 0.00 C ATOM 587 C LEU A 38 21.994 -2.305 3.192 1.00 0.00 C ATOM 588 O LEU A 38 21.442 -1.580 4.009 1.00 0.00 O ATOM 589 CB LEU A 38 21.849 -4.787 3.392 1.00 0.00 C ATOM 590 CG LEU A 38 21.738 -4.651 4.916 1.00 0.00 C ATOM 591 CD1 LEU A 38 20.289 -4.863 5.356 1.00 0.00 C ATOM 592 CD2 LEU A 38 22.641 -5.700 5.568 1.00 0.00 C ATOM 0 H LEU A 38 22.022 -4.582 0.998 1.00 0.00 H new ATOM 0 HA LEU A 38 20.234 -3.452 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 38 21.299 -5.670 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 38 22.892 -4.941 3.116 1.00 0.00 H new ATOM 0 HG LEU A 38 22.050 -3.652 5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 38 20.220 -4.765 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 38 19.652 -4.116 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 38 19.961 -5.860 5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 38 22.573 -5.615 6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 38 22.322 -6.696 5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 38 23.672 -5.537 5.256 1.00 0.00 H new ATOM 604 N GLU A 39 23.207 -2.068 2.744 1.00 0.00 N ATOM 605 CA GLU A 39 23.942 -0.901 3.193 1.00 0.00 C ATOM 606 C GLU A 39 23.422 0.351 2.490 1.00 0.00 C ATOM 607 O GLU A 39 23.619 1.466 2.972 1.00 0.00 O ATOM 608 CB GLU A 39 25.438 -1.073 2.931 1.00 0.00 C ATOM 609 CG GLU A 39 25.648 -1.428 1.475 1.00 0.00 C ATOM 610 CD GLU A 39 27.129 -1.355 1.119 1.00 0.00 C ATOM 611 OE1 GLU A 39 27.936 -1.767 1.934 1.00 0.00 O ATOM 612 OE2 GLU A 39 27.433 -0.887 0.033 1.00 0.00 O ATOM 0 H GLU A 39 23.703 -2.659 2.077 1.00 0.00 H new ATOM 0 HA GLU A 39 23.792 -0.790 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 39 25.971 -0.154 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.844 -1.856 3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 39 25.270 -2.432 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 39 25.081 -0.745 0.842 1.00 0.00 H new ATOM 619 N PHE A 40 22.776 0.166 1.332 1.00 0.00 N ATOM 620 CA PHE A 40 22.266 1.303 0.571 1.00 0.00 C ATOM 621 C PHE A 40 21.176 2.045 1.335 1.00 0.00 C ATOM 622 O PHE A 40 21.196 3.272 1.435 1.00 0.00 O ATOM 623 CB PHE A 40 21.718 0.790 -0.775 1.00 0.00 C ATOM 624 CG PHE A 40 22.344 1.527 -1.938 1.00 0.00 C ATOM 625 CD1 PHE A 40 22.373 2.923 -1.938 1.00 0.00 C ATOM 626 CD2 PHE A 40 22.901 0.809 -3.004 1.00 0.00 C ATOM 627 CE1 PHE A 40 22.958 3.610 -3.007 1.00 0.00 C ATOM 628 CE2 PHE A 40 23.489 1.495 -4.074 1.00 0.00 C ATOM 629 CZ PHE A 40 23.518 2.897 -4.075 1.00 0.00 C ATOM 0 H PHE A 40 22.598 -0.746 0.911 1.00 0.00 H new ATOM 0 HA PHE A 40 23.080 2.008 0.403 1.00 0.00 H new ATOM 0 HB2 PHE A 40 21.917 -0.278 -0.868 1.00 0.00 H new ATOM 0 HB3 PHE A 40 20.636 0.916 -0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 40 21.944 3.472 -1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 40 22.877 -0.271 -3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 40 22.978 4.690 -3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 40 23.920 0.945 -4.898 1.00 0.00 H new ATOM 0 HZ PHE A 40 23.972 3.427 -4.899 1.00 0.00 H new ATOM 639 N LYS A 41 20.221 1.294 1.853 1.00 0.00 N ATOM 640 CA LYS A 41 19.120 1.890 2.585 1.00 0.00 C ATOM 641 C LYS A 41 19.619 2.547 3.862 1.00 0.00 C ATOM 642 O LYS A 41 19.098 3.575 4.294 1.00 0.00 O ATOM 643 CB LYS A 41 18.083 0.824 2.910 1.00 0.00 C ATOM 644 CG LYS A 41 18.722 -0.302 3.744 1.00 0.00 C ATOM 645 CD LYS A 41 18.127 -0.310 5.163 1.00 0.00 C ATOM 646 CE LYS A 41 18.702 -1.479 5.958 1.00 0.00 C ATOM 647 NZ LYS A 41 17.866 -2.690 5.723 1.00 0.00 N ATOM 0 H LYS A 41 20.186 0.277 1.781 1.00 0.00 H new ATOM 0 HA LYS A 41 18.660 2.659 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.254 1.269 3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.670 0.414 1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.549 -1.265 3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.802 -0.160 3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.352 0.630 5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.041 -0.392 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.732 -1.669 5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.722 -1.237 7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.213 -3.472 6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.877 -2.482 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.924 -2.963 4.721 1.00 0.00 H new ATOM 661 N SER A 42 20.636 1.945 4.458 1.00 0.00 N ATOM 662 CA SER A 42 21.212 2.468 5.685 1.00 0.00 C ATOM 663 C SER A 42 21.856 3.822 5.414 1.00 0.00 C ATOM 664 O SER A 42 21.741 4.747 6.218 1.00 0.00 O ATOM 665 CB SER A 42 22.258 1.498 6.219 1.00 0.00 C ATOM 666 OG SER A 42 21.613 0.326 6.700 1.00 0.00 O ATOM 0 H SER A 42 21.079 1.094 4.112 1.00 0.00 H new ATOM 0 HA SER A 42 20.424 2.588 6.428 1.00 0.00 H new ATOM 0 HB2 SER A 42 22.966 1.240 5.432 1.00 0.00 H new ATOM 0 HB3 SER A 42 22.829 1.967 7.020 1.00 0.00 H new ATOM 0 HG SER A 42 21.524 -0.322 5.970 1.00 0.00 H new ATOM 672 N ALA A 43 22.518 3.935 4.266 1.00 0.00 N ATOM 673 CA ALA A 43 23.158 5.187 3.884 1.00 0.00 C ATOM 674 C ALA A 43 22.101 6.237 3.563 1.00 0.00 C ATOM 675 O ALA A 43 22.251 7.407 3.896 1.00 0.00 O ATOM 676 CB ALA A 43 24.064 4.968 2.671 1.00 0.00 C ATOM 0 H ALA A 43 22.624 3.179 3.589 1.00 0.00 H new ATOM 0 HA ALA A 43 23.766 5.539 4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.537 5.911 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.832 4.236 2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.469 4.602 1.834 1.00 0.00 H new ATOM 682 N THR A 44 21.026 5.796 2.921 1.00 0.00 N ATOM 683 CA THR A 44 19.929 6.678 2.561 1.00 0.00 C ATOM 684 C THR A 44 19.266 7.262 3.806 1.00 0.00 C ATOM 685 O THR A 44 18.915 8.441 3.841 1.00 0.00 O ATOM 686 CB THR A 44 18.907 5.882 1.741 1.00 0.00 C ATOM 687 OG1 THR A 44 19.337 5.803 0.390 1.00 0.00 O ATOM 688 CG2 THR A 44 17.524 6.527 1.827 1.00 0.00 C ATOM 0 H THR A 44 20.893 4.825 2.638 1.00 0.00 H new ATOM 0 HA THR A 44 20.315 7.509 1.971 1.00 0.00 H new ATOM 0 HB THR A 44 18.834 4.875 2.151 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.683 5.292 -0.132 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.814 5.946 1.238 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.198 6.552 2.867 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.572 7.544 1.438 1.00 0.00 H new ATOM 696 N LYS A 45 19.078 6.422 4.806 1.00 0.00 N ATOM 697 CA LYS A 45 18.431 6.854 6.031 1.00 0.00 C ATOM 698 C LYS A 45 19.128 8.087 6.580 1.00 0.00 C ATOM 699 O LYS A 45 18.507 8.936 7.219 1.00 0.00 O ATOM 700 CB LYS A 45 18.469 5.726 7.064 1.00 0.00 C ATOM 701 CG LYS A 45 18.020 6.247 8.457 1.00 0.00 C ATOM 702 CD LYS A 45 19.244 6.522 9.348 1.00 0.00 C ATOM 703 CE LYS A 45 19.692 5.228 10.032 1.00 0.00 C ATOM 704 NZ LYS A 45 18.712 4.867 11.095 1.00 0.00 N ATOM 0 H LYS A 45 19.362 5.442 4.795 1.00 0.00 H new ATOM 0 HA LYS A 45 17.392 7.104 5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 45 17.817 4.912 6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.478 5.319 7.130 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.435 7.160 8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.372 5.513 8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 45 20.058 6.927 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.997 7.273 10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 45 19.765 4.423 9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 45 20.684 5.357 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 19.182 4.283 11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.344 5.734 11.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.925 4.332 10.675 1.00 0.00 H new ATOM 718 N SER A 46 20.423 8.178 6.335 1.00 0.00 N ATOM 719 CA SER A 46 21.192 9.309 6.812 1.00 0.00 C ATOM 720 C SER A 46 20.920 10.553 5.960 1.00 0.00 C ATOM 721 O SER A 46 20.964 11.676 6.461 1.00 0.00 O ATOM 722 CB SER A 46 22.675 8.962 6.783 1.00 0.00 C ATOM 723 OG SER A 46 23.007 8.208 7.941 1.00 0.00 O ATOM 0 H SER A 46 20.960 7.486 5.812 1.00 0.00 H new ATOM 0 HA SER A 46 20.892 9.532 7.836 1.00 0.00 H new ATOM 0 HB2 SER A 46 22.908 8.391 5.885 1.00 0.00 H new ATOM 0 HB3 SER A 46 23.272 9.873 6.745 1.00 0.00 H new ATOM 0 HG SER A 46 23.961 7.983 7.922 1.00 0.00 H new