USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 511 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 42 THR OG1 : rot 7:sc= 0.866 USER MOD Set 1.2: A 56 ASN : amide:sc= 1.01 K(o=1.9,f=-5.9!) USER MOD Single : A 25 THR OG1 : rot -112:sc= 0.605 USER MOD Single : A 27 SER OG : rot -59:sc= 0.0293 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.648 K(o=-0.65,f=-2) USER MOD Single : A 53 THR OG1 : rot 26:sc= 0.286 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -108:sc= 1.01 (180deg=-1.25) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.557 K(o=-0.56,f=-2.2) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 189 N ALA A 13 1.804 5.148 14.350 1.00 0.00 N ATOM 190 CA ALA A 13 2.535 4.631 13.157 1.00 0.00 C ATOM 191 C ALA A 13 3.998 4.348 13.513 1.00 0.00 C ATOM 192 O ALA A 13 4.559 4.955 14.404 1.00 0.00 O ATOM 193 CB ALA A 13 2.443 5.750 12.120 1.00 0.00 C ATOM 0 HA ALA A 13 2.112 3.697 12.787 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.959 5.446 11.209 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.396 5.951 11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.908 6.653 12.516 1.00 0.00 H new ATOM 199 N GLY A 14 4.621 3.432 12.823 1.00 0.00 N ATOM 200 CA GLY A 14 6.046 3.112 13.121 1.00 0.00 C ATOM 201 C GLY A 14 6.927 3.566 11.955 1.00 0.00 C ATOM 202 O GLY A 14 6.439 3.936 10.906 1.00 0.00 O ATOM 0 H GLY A 14 4.204 2.891 12.065 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.357 3.609 14.040 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.163 2.040 13.283 1.00 0.00 H new ATOM 206 N GLU A 15 8.219 3.542 12.131 1.00 0.00 N ATOM 207 CA GLU A 15 9.128 3.974 11.030 1.00 0.00 C ATOM 208 C GLU A 15 8.903 3.107 9.787 1.00 0.00 C ATOM 209 O GLU A 15 9.279 1.952 9.747 1.00 0.00 O ATOM 210 CB GLU A 15 10.540 3.769 11.579 1.00 0.00 C ATOM 211 CG GLU A 15 11.151 5.125 11.935 1.00 0.00 C ATOM 212 CD GLU A 15 12.340 4.919 12.875 1.00 0.00 C ATOM 213 OE1 GLU A 15 12.119 4.475 13.989 1.00 0.00 O ATOM 214 OE2 GLU A 15 13.451 5.210 12.464 1.00 0.00 O ATOM 0 H GLU A 15 8.685 3.243 12.988 1.00 0.00 H new ATOM 0 HA GLU A 15 8.953 5.008 10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.509 3.129 12.461 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.159 3.262 10.839 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.474 5.639 11.030 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.403 5.759 12.411 1.00 0.00 H new ATOM 221 N GLY A 16 8.293 3.656 8.773 1.00 0.00 N ATOM 222 CA GLY A 16 8.045 2.864 7.534 1.00 0.00 C ATOM 223 C GLY A 16 6.561 2.940 7.171 1.00 0.00 C ATOM 224 O GLY A 16 6.182 2.778 6.028 1.00 0.00 O ATOM 0 H GLY A 16 7.955 4.618 8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.651 3.250 6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.341 1.826 7.687 1.00 0.00 H new ATOM 228 N GLU A 17 5.717 3.187 8.136 1.00 0.00 N ATOM 229 CA GLU A 17 4.258 3.274 7.844 1.00 0.00 C ATOM 230 C GLU A 17 3.852 4.731 7.609 1.00 0.00 C ATOM 231 O GLU A 17 4.524 5.650 8.033 1.00 0.00 O ATOM 232 CB GLU A 17 3.569 2.721 9.091 1.00 0.00 C ATOM 233 CG GLU A 17 3.850 1.222 9.208 1.00 0.00 C ATOM 234 CD GLU A 17 4.022 0.846 10.682 1.00 0.00 C ATOM 235 OE1 GLU A 17 3.443 1.522 11.516 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.728 -0.111 10.950 1.00 0.00 O ATOM 0 H GLU A 17 5.974 3.332 9.112 1.00 0.00 H new ATOM 0 HA GLU A 17 3.983 2.719 6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.930 3.240 9.979 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.495 2.897 9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.030 0.653 8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.750 0.966 8.649 1.00 0.00 H new ATOM 243 N ILE A 18 2.757 4.948 6.933 1.00 0.00 N ATOM 244 CA ILE A 18 2.308 6.346 6.670 1.00 0.00 C ATOM 245 C ILE A 18 0.872 6.543 7.182 1.00 0.00 C ATOM 246 O ILE A 18 -0.055 5.974 6.640 1.00 0.00 O ATOM 247 CB ILE A 18 2.360 6.493 5.150 1.00 0.00 C ATOM 248 CG1 ILE A 18 3.798 6.282 4.667 1.00 0.00 C ATOM 249 CG2 ILE A 18 1.893 7.895 4.756 1.00 0.00 C ATOM 250 CD1 ILE A 18 3.966 4.846 4.170 1.00 0.00 C ATOM 0 H ILE A 18 2.154 4.219 6.552 1.00 0.00 H new ATOM 0 HA ILE A 18 2.930 7.086 7.174 1.00 0.00 H new ATOM 0 HB ILE A 18 1.708 5.750 4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.030 6.984 3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.498 6.481 5.479 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.930 8.000 3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.870 8.048 5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.545 8.638 5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.990 4.697 3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.752 4.152 4.983 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.277 4.663 3.346 1.00 0.00 H new ATOM 262 N PRO A 19 0.729 7.339 8.216 1.00 0.00 N ATOM 263 CA PRO A 19 -0.616 7.591 8.792 1.00 0.00 C ATOM 264 C PRO A 19 -1.445 8.485 7.866 1.00 0.00 C ATOM 265 O PRO A 19 -0.917 9.210 7.047 1.00 0.00 O ATOM 266 CB PRO A 19 -0.317 8.302 10.110 1.00 0.00 C ATOM 267 CG PRO A 19 1.025 8.933 9.913 1.00 0.00 C ATOM 268 CD PRO A 19 1.782 8.069 8.939 1.00 0.00 C ATOM 0 HA PRO A 19 -1.197 6.679 8.927 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.076 9.051 10.336 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.305 7.600 10.943 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.921 9.947 9.528 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.560 9.005 10.860 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.389 8.669 8.261 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.459 7.387 9.453 1.00 0.00 H new ATOM 276 N ALA A 20 -2.744 8.437 7.994 1.00 0.00 N ATOM 277 CA ALA A 20 -3.614 9.282 7.125 1.00 0.00 C ATOM 278 C ALA A 20 -3.984 10.584 7.852 1.00 0.00 C ATOM 279 O ALA A 20 -4.702 10.555 8.831 1.00 0.00 O ATOM 280 CB ALA A 20 -4.862 8.436 6.877 1.00 0.00 C ATOM 0 H ALA A 20 -3.241 7.849 8.663 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.120 9.566 6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.556 8.988 6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.579 7.507 6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.342 8.209 7.829 1.00 0.00 H new ATOM 286 N PRO A 21 -3.481 11.689 7.354 1.00 0.00 N ATOM 287 CA PRO A 21 -3.776 13.001 7.984 1.00 0.00 C ATOM 288 C PRO A 21 -5.213 13.451 7.687 1.00 0.00 C ATOM 289 O PRO A 21 -5.661 14.471 8.172 1.00 0.00 O ATOM 290 CB PRO A 21 -2.770 13.946 7.332 1.00 0.00 C ATOM 291 CG PRO A 21 -2.437 13.316 6.017 1.00 0.00 C ATOM 292 CD PRO A 21 -2.606 11.827 6.180 1.00 0.00 C ATOM 0 HA PRO A 21 -3.694 12.971 9.071 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.195 14.941 7.196 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.880 14.061 7.950 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.093 13.694 5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.416 13.557 5.723 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.055 11.378 5.294 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.648 11.332 6.337 1.00 0.00 H new ATOM 300 N LEU A 22 -5.943 12.709 6.896 1.00 0.00 N ATOM 301 CA LEU A 22 -7.344 13.119 6.582 1.00 0.00 C ATOM 302 C LEU A 22 -8.264 11.895 6.509 1.00 0.00 C ATOM 303 O LEU A 22 -9.209 11.864 5.744 1.00 0.00 O ATOM 304 CB LEU A 22 -7.258 13.806 5.218 1.00 0.00 C ATOM 305 CG LEU A 22 -6.765 12.806 4.172 1.00 0.00 C ATOM 306 CD1 LEU A 22 -7.901 12.477 3.199 1.00 0.00 C ATOM 307 CD2 LEU A 22 -5.591 13.412 3.402 1.00 0.00 C ATOM 0 H LEU A 22 -5.633 11.843 6.456 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.758 13.775 7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.236 14.194 4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.580 14.658 5.270 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.441 11.892 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.547 11.764 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.737 12.043 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.229 13.389 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.239 12.700 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.915 14.327 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.781 13.642 4.095 1.00 0.00 H new ATOM 319 N ALA A 23 -8.001 10.889 7.298 1.00 0.00 N ATOM 320 CA ALA A 23 -8.868 9.672 7.275 1.00 0.00 C ATOM 321 C ALA A 23 -9.069 9.177 5.837 1.00 0.00 C ATOM 322 O ALA A 23 -8.283 9.461 4.956 1.00 0.00 O ATOM 323 CB ALA A 23 -10.200 10.127 7.871 1.00 0.00 C ATOM 0 H ALA A 23 -7.224 10.855 7.958 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.426 8.846 7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.896 9.288 7.890 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.040 10.488 8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.616 10.930 7.262 1.00 0.00 H new ATOM 329 N GLY A 24 -10.119 8.437 5.598 1.00 0.00 N ATOM 330 CA GLY A 24 -10.374 7.922 4.222 1.00 0.00 C ATOM 331 C GLY A 24 -11.723 7.198 4.185 1.00 0.00 C ATOM 332 O GLY A 24 -12.576 7.411 5.023 1.00 0.00 O ATOM 0 H GLY A 24 -10.811 8.167 6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.373 8.746 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.576 7.241 3.924 1.00 0.00 H new ATOM 336 N THR A 25 -11.924 6.344 3.216 1.00 0.00 N ATOM 337 CA THR A 25 -13.219 5.609 3.122 1.00 0.00 C ATOM 338 C THR A 25 -13.008 4.124 3.448 1.00 0.00 C ATOM 339 O THR A 25 -12.179 3.771 4.263 1.00 0.00 O ATOM 340 CB THR A 25 -13.677 5.790 1.671 1.00 0.00 C ATOM 341 OG1 THR A 25 -13.187 7.026 1.167 1.00 0.00 O ATOM 342 CG2 THR A 25 -15.206 5.787 1.611 1.00 0.00 C ATOM 0 H THR A 25 -11.247 6.124 2.486 1.00 0.00 H new ATOM 0 HA THR A 25 -13.961 5.984 3.827 1.00 0.00 H new ATOM 0 HB THR A 25 -13.288 4.971 1.066 1.00 0.00 H new ATOM 0 HG1 THR A 25 -13.937 7.640 1.022 1.00 0.00 H new ATOM 0 HG21 THR A 25 -15.530 5.916 0.578 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.583 4.839 1.994 1.00 0.00 H new ATOM 0 HG23 THR A 25 -15.596 6.604 2.218 1.00 0.00 H new ATOM 350 N VAL A 26 -13.757 3.250 2.825 1.00 0.00 N ATOM 351 CA VAL A 26 -13.602 1.788 3.106 1.00 0.00 C ATOM 352 C VAL A 26 -12.128 1.373 3.077 1.00 0.00 C ATOM 353 O VAL A 26 -11.719 0.473 3.784 1.00 0.00 O ATOM 354 CB VAL A 26 -14.382 1.064 1.999 1.00 0.00 C ATOM 355 CG1 VAL A 26 -15.880 1.242 2.239 1.00 0.00 C ATOM 356 CG2 VAL A 26 -14.010 1.629 0.623 1.00 0.00 C ATOM 0 H VAL A 26 -14.469 3.484 2.134 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.977 1.537 4.098 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.127 0.004 2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.438 0.729 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.146 0.820 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -16.127 2.304 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.572 1.104 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.251 2.692 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.942 1.493 0.450 1.00 0.00 H new ATOM 366 N SER A 27 -11.325 2.009 2.266 1.00 0.00 N ATOM 367 CA SER A 27 -9.882 1.634 2.201 1.00 0.00 C ATOM 368 C SER A 27 -9.742 0.151 1.845 1.00 0.00 C ATOM 369 O SER A 27 -8.896 -0.546 2.369 1.00 0.00 O ATOM 370 CB SER A 27 -9.322 1.923 3.599 1.00 0.00 C ATOM 371 OG SER A 27 -9.395 0.749 4.400 1.00 0.00 O ATOM 0 H SER A 27 -11.605 2.770 1.647 1.00 0.00 H new ATOM 0 HA SER A 27 -9.342 2.193 1.437 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.288 2.259 3.524 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.886 2.729 4.067 1.00 0.00 H new ATOM 0 HG SER A 27 -10.328 0.456 4.466 1.00 0.00 H new ATOM 377 N LYS A 28 -10.565 -0.333 0.955 1.00 0.00 N ATOM 378 CA LYS A 28 -10.479 -1.768 0.561 1.00 0.00 C ATOM 379 C LYS A 28 -9.160 -2.034 -0.170 1.00 0.00 C ATOM 380 O LYS A 28 -9.013 -1.730 -1.336 1.00 0.00 O ATOM 381 CB LYS A 28 -11.667 -1.994 -0.373 1.00 0.00 C ATOM 382 CG LYS A 28 -12.843 -2.564 0.423 1.00 0.00 C ATOM 383 CD LYS A 28 -13.104 -4.007 -0.011 1.00 0.00 C ATOM 384 CE LYS A 28 -13.643 -4.023 -1.443 1.00 0.00 C ATOM 385 NZ LYS A 28 -12.928 -5.148 -2.107 1.00 0.00 N ATOM 0 H LYS A 28 -11.293 0.203 0.484 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.506 -2.437 1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.955 -1.055 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.389 -2.681 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.624 -2.528 1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.734 -1.958 0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.183 -4.587 0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.820 -4.476 0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.722 -4.177 -1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.449 -3.077 -1.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.243 -5.225 -3.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.904 -4.970 -2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.137 -6.036 -1.607 1.00 0.00 H new ATOM 399 N ILE A 29 -8.198 -2.596 0.510 1.00 0.00 N ATOM 400 CA ILE A 29 -6.887 -2.877 -0.143 1.00 0.00 C ATOM 401 C ILE A 29 -7.066 -3.865 -1.300 1.00 0.00 C ATOM 402 O ILE A 29 -7.434 -5.006 -1.102 1.00 0.00 O ATOM 403 CB ILE A 29 -6.024 -3.494 0.958 1.00 0.00 C ATOM 404 CG1 ILE A 29 -4.643 -3.839 0.392 1.00 0.00 C ATOM 405 CG2 ILE A 29 -6.691 -4.769 1.476 1.00 0.00 C ATOM 406 CD1 ILE A 29 -3.600 -3.752 1.508 1.00 0.00 C ATOM 0 H ILE A 29 -8.263 -2.873 1.490 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.436 -1.978 -0.564 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.916 -2.781 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.653 -4.842 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.387 -3.152 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.075 -5.209 2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.675 -4.527 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.799 -5.481 0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.617 -3.997 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.585 -2.740 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.855 -4.456 2.300 1.00 0.00 H new ATOM 418 N LEU A 30 -6.804 -3.437 -2.504 1.00 0.00 N ATOM 419 CA LEU A 30 -6.956 -4.356 -3.670 1.00 0.00 C ATOM 420 C LEU A 30 -5.868 -5.430 -3.633 1.00 0.00 C ATOM 421 O LEU A 30 -6.040 -6.521 -4.141 1.00 0.00 O ATOM 422 CB LEU A 30 -6.790 -3.465 -4.902 1.00 0.00 C ATOM 423 CG LEU A 30 -7.965 -2.491 -4.989 1.00 0.00 C ATOM 424 CD1 LEU A 30 -7.571 -1.290 -5.853 1.00 0.00 C ATOM 425 CD2 LEU A 30 -9.169 -3.198 -5.614 1.00 0.00 C ATOM 0 H LEU A 30 -6.492 -2.493 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.916 -4.872 -3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.851 -2.914 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.744 -4.077 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.226 -2.147 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.409 -0.596 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.714 -0.786 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.309 -1.632 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.007 -2.504 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.909 -3.543 -6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.450 -4.052 -4.997 1.00 0.00 H new ATOM 437 N VAL A 31 -4.748 -5.131 -3.032 1.00 0.00 N ATOM 438 CA VAL A 31 -3.648 -6.135 -2.958 1.00 0.00 C ATOM 439 C VAL A 31 -3.659 -6.831 -1.594 1.00 0.00 C ATOM 440 O VAL A 31 -4.660 -6.857 -0.908 1.00 0.00 O ATOM 441 CB VAL A 31 -2.362 -5.327 -3.139 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.419 -4.572 -4.467 1.00 0.00 C ATOM 443 CG2 VAL A 31 -2.220 -4.326 -1.990 1.00 0.00 C ATOM 0 H VAL A 31 -4.547 -4.234 -2.589 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.748 -6.915 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.506 -6.002 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.503 -3.996 -4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.520 -5.284 -5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.275 -3.897 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.303 -3.751 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.075 -3.650 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.180 -4.863 -1.042 1.00 0.00 H new ATOM 453 N LYS A 32 -2.550 -7.392 -1.196 1.00 0.00 N ATOM 454 CA LYS A 32 -2.497 -8.083 0.124 1.00 0.00 C ATOM 455 C LYS A 32 -1.122 -7.888 0.766 1.00 0.00 C ATOM 456 O LYS A 32 -0.260 -7.224 0.225 1.00 0.00 O ATOM 457 CB LYS A 32 -2.737 -9.559 -0.190 1.00 0.00 C ATOM 458 CG LYS A 32 -3.696 -10.151 0.845 1.00 0.00 C ATOM 459 CD LYS A 32 -3.167 -11.507 1.316 1.00 0.00 C ATOM 460 CE LYS A 32 -3.245 -12.515 0.167 1.00 0.00 C ATOM 461 NZ LYS A 32 -2.112 -13.453 0.402 1.00 0.00 N ATOM 0 H LYS A 32 -1.679 -7.402 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.234 -7.691 0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.154 -9.666 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.792 -10.103 -0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.796 -9.473 1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.689 -10.267 0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.137 -11.408 1.657 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.751 -11.862 2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.200 -13.041 0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.154 -12.020 -0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.098 -14.175 -0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.216 -12.925 0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.229 -13.914 1.327 1.00 0.00 H new ATOM 475 N GLU A 33 -0.909 -8.463 1.918 1.00 0.00 N ATOM 476 CA GLU A 33 0.411 -8.311 2.592 1.00 0.00 C ATOM 477 C GLU A 33 1.419 -9.298 2.001 1.00 0.00 C ATOM 478 O GLU A 33 1.059 -10.353 1.518 1.00 0.00 O ATOM 479 CB GLU A 33 0.143 -8.634 4.063 1.00 0.00 C ATOM 480 CG GLU A 33 -0.394 -10.061 4.183 1.00 0.00 C ATOM 481 CD GLU A 33 -1.761 -10.034 4.870 1.00 0.00 C ATOM 482 OE1 GLU A 33 -1.827 -9.567 5.995 1.00 0.00 O ATOM 483 OE2 GLU A 33 -2.718 -10.483 4.260 1.00 0.00 O ATOM 0 H GLU A 33 -1.591 -9.031 2.421 1.00 0.00 H new ATOM 0 HA GLU A 33 0.830 -7.313 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.061 -8.530 4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.577 -7.927 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.480 -10.513 3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.301 -10.676 4.755 1.00 0.00 H new ATOM 490 N GLY A 34 2.680 -8.964 2.031 1.00 0.00 N ATOM 491 CA GLY A 34 3.708 -9.885 1.467 1.00 0.00 C ATOM 492 C GLY A 34 3.698 -9.807 -0.064 1.00 0.00 C ATOM 493 O GLY A 34 4.396 -10.544 -0.732 1.00 0.00 O ATOM 0 H GLY A 34 3.043 -8.094 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.694 -9.618 1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.508 -10.907 1.789 1.00 0.00 H new ATOM 497 N ASP A 35 2.917 -8.922 -0.630 1.00 0.00 N ATOM 498 CA ASP A 35 2.879 -8.810 -2.117 1.00 0.00 C ATOM 499 C ASP A 35 3.774 -7.658 -2.578 1.00 0.00 C ATOM 500 O ASP A 35 4.215 -6.847 -1.788 1.00 0.00 O ATOM 501 CB ASP A 35 1.415 -8.518 -2.452 1.00 0.00 C ATOM 502 CG ASP A 35 0.762 -9.779 -3.020 1.00 0.00 C ATOM 503 OD1 ASP A 35 0.265 -10.570 -2.234 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.770 -9.933 -4.229 1.00 0.00 O ATOM 0 H ASP A 35 2.307 -8.276 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 35 3.239 -9.712 -2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.884 -8.192 -1.558 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.351 -7.705 -3.175 1.00 0.00 H new ATOM 509 N THR A 36 4.047 -7.579 -3.850 1.00 0.00 N ATOM 510 CA THR A 36 4.914 -6.477 -4.355 1.00 0.00 C ATOM 511 C THR A 36 4.065 -5.406 -5.045 1.00 0.00 C ATOM 512 O THR A 36 2.970 -5.665 -5.501 1.00 0.00 O ATOM 513 CB THR A 36 5.860 -7.140 -5.359 1.00 0.00 C ATOM 514 OG1 THR A 36 6.638 -8.124 -4.692 1.00 0.00 O ATOM 515 CG2 THR A 36 6.782 -6.085 -5.970 1.00 0.00 C ATOM 0 H THR A 36 3.709 -8.228 -4.561 1.00 0.00 H new ATOM 0 HA THR A 36 5.457 -5.981 -3.550 1.00 0.00 H new ATOM 0 HB THR A 36 5.278 -7.610 -6.152 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.244 -8.552 -5.333 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.455 -6.559 -6.685 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.184 -5.331 -6.481 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.366 -5.611 -5.181 1.00 0.00 H new ATOM 523 N VAL A 37 4.562 -4.203 -5.120 1.00 0.00 N ATOM 524 CA VAL A 37 3.788 -3.112 -5.777 1.00 0.00 C ATOM 525 C VAL A 37 4.714 -2.265 -6.652 1.00 0.00 C ATOM 526 O VAL A 37 5.922 -2.370 -6.576 1.00 0.00 O ATOM 527 CB VAL A 37 3.230 -2.278 -4.625 1.00 0.00 C ATOM 528 CG1 VAL A 37 4.382 -1.795 -3.740 1.00 0.00 C ATOM 529 CG2 VAL A 37 2.477 -1.072 -5.186 1.00 0.00 C ATOM 0 H VAL A 37 5.473 -3.927 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 37 2.999 -3.494 -6.424 1.00 0.00 H new ATOM 0 HB VAL A 37 2.548 -2.888 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.984 -1.200 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.918 -2.655 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.065 -1.186 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.079 -0.477 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.158 -0.462 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.656 -1.416 -5.815 1.00 0.00 H new ATOM 539 N LYS A 38 4.158 -1.426 -7.482 1.00 0.00 N ATOM 540 CA LYS A 38 5.012 -0.574 -8.358 1.00 0.00 C ATOM 541 C LYS A 38 4.586 0.893 -8.246 1.00 0.00 C ATOM 542 O LYS A 38 3.489 1.200 -7.827 1.00 0.00 O ATOM 543 CB LYS A 38 4.770 -1.097 -9.774 1.00 0.00 C ATOM 544 CG LYS A 38 6.038 -0.911 -10.610 1.00 0.00 C ATOM 545 CD LYS A 38 6.890 -2.179 -10.538 1.00 0.00 C ATOM 546 CE LYS A 38 8.156 -1.993 -11.376 1.00 0.00 C ATOM 547 NZ LYS A 38 9.282 -2.187 -10.422 1.00 0.00 N ATOM 0 H LYS A 38 3.153 -1.293 -7.592 1.00 0.00 H new ATOM 0 HA LYS A 38 6.065 -0.620 -8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.494 -2.151 -9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.938 -0.564 -10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.775 -0.696 -11.646 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.607 -0.057 -10.242 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.155 -2.393 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.321 -3.033 -10.905 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.200 -2.716 -12.190 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.188 -1.002 -11.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.186 -2.075 -10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.218 -1.481 -9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.230 -3.142 -10.013 1.00 0.00 H new ATOM 561 N ALA A 39 5.449 1.799 -8.616 1.00 0.00 N ATOM 562 CA ALA A 39 5.094 3.244 -8.529 1.00 0.00 C ATOM 563 C ALA A 39 3.992 3.582 -9.537 1.00 0.00 C ATOM 564 O ALA A 39 4.147 3.394 -10.727 1.00 0.00 O ATOM 565 CB ALA A 39 6.383 3.990 -8.874 1.00 0.00 C ATOM 0 H ALA A 39 6.383 1.602 -8.974 1.00 0.00 H new ATOM 0 HA ALA A 39 4.716 3.517 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.204 5.064 -8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.160 3.723 -8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.705 3.715 -9.878 1.00 0.00 H new ATOM 571 N GLY A 40 2.881 4.081 -9.069 1.00 0.00 N ATOM 572 CA GLY A 40 1.771 4.432 -9.998 1.00 0.00 C ATOM 573 C GLY A 40 0.917 3.192 -10.271 1.00 0.00 C ATOM 574 O GLY A 40 0.556 2.912 -11.397 1.00 0.00 O ATOM 0 H GLY A 40 2.694 4.261 -8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.156 5.221 -9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.175 4.820 -10.933 1.00 0.00 H new ATOM 578 N GLN A 41 0.590 2.448 -9.250 1.00 0.00 N ATOM 579 CA GLN A 41 -0.241 1.226 -9.454 1.00 0.00 C ATOM 580 C GLN A 41 -1.386 1.191 -8.437 1.00 0.00 C ATOM 581 O GLN A 41 -1.174 0.993 -7.257 1.00 0.00 O ATOM 582 CB GLN A 41 0.715 0.053 -9.229 1.00 0.00 C ATOM 583 CG GLN A 41 0.400 -1.062 -10.228 1.00 0.00 C ATOM 584 CD GLN A 41 1.560 -2.058 -10.266 1.00 0.00 C ATOM 585 OE1 GLN A 41 2.365 -2.038 -11.176 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.681 -2.937 -9.308 1.00 0.00 N ATOM 0 H GLN A 41 0.862 2.632 -8.284 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.695 1.195 -10.444 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.747 0.383 -9.350 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.617 -0.319 -8.209 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.521 -1.571 -9.942 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.237 -0.640 -11.220 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.006 -2.955 -8.544 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.451 -3.606 -9.324 1.00 0.00 H new ATOM 595 N THR A 42 -2.598 1.380 -8.886 1.00 0.00 N ATOM 596 CA THR A 42 -3.755 1.358 -7.945 1.00 0.00 C ATOM 597 C THR A 42 -3.742 0.069 -7.121 1.00 0.00 C ATOM 598 O THR A 42 -3.909 -1.016 -7.645 1.00 0.00 O ATOM 599 CB THR A 42 -4.995 1.406 -8.839 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.971 2.595 -9.616 1.00 0.00 O ATOM 601 CG2 THR A 42 -6.253 1.386 -7.970 1.00 0.00 C ATOM 0 H THR A 42 -2.837 1.549 -9.863 1.00 0.00 H new ATOM 0 HA THR A 42 -3.727 2.188 -7.239 1.00 0.00 H new ATOM 0 HB THR A 42 -5.000 0.540 -9.501 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.114 3.052 -9.488 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.136 1.420 -8.608 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.270 0.473 -7.375 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.251 2.251 -7.307 1.00 0.00 H new ATOM 609 N VAL A 43 -3.542 0.175 -5.837 1.00 0.00 N ATOM 610 CA VAL A 43 -3.514 -1.050 -4.986 1.00 0.00 C ATOM 611 C VAL A 43 -4.529 -0.944 -3.842 1.00 0.00 C ATOM 612 O VAL A 43 -4.822 -1.919 -3.177 1.00 0.00 O ATOM 613 CB VAL A 43 -2.090 -1.112 -4.435 1.00 0.00 C ATOM 614 CG1 VAL A 43 -1.104 -1.299 -5.589 1.00 0.00 C ATOM 615 CG2 VAL A 43 -1.772 0.190 -3.699 1.00 0.00 C ATOM 0 H VAL A 43 -3.397 1.054 -5.340 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.778 -1.944 -5.550 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.004 -1.951 -3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.088 -1.343 -5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.331 -2.227 -6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.189 -0.460 -6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.756 0.147 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.858 1.029 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.474 0.324 -2.876 1.00 0.00 H new ATOM 625 N LEU A 44 -5.067 0.223 -3.595 1.00 0.00 N ATOM 626 CA LEU A 44 -6.055 0.355 -2.482 1.00 0.00 C ATOM 627 C LEU A 44 -7.297 1.124 -2.942 1.00 0.00 C ATOM 628 O LEU A 44 -7.304 1.754 -3.981 1.00 0.00 O ATOM 629 CB LEU A 44 -5.321 1.133 -1.391 1.00 0.00 C ATOM 630 CG LEU A 44 -5.434 0.378 -0.066 1.00 0.00 C ATOM 631 CD1 LEU A 44 -4.367 -0.717 -0.012 1.00 0.00 C ATOM 632 CD2 LEU A 44 -5.226 1.351 1.096 1.00 0.00 C ATOM 0 H LEU A 44 -4.868 1.081 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.403 -0.617 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.273 1.260 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.747 2.131 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.423 -0.073 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.446 -1.256 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.515 -1.411 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.378 -0.265 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.307 0.813 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.237 1.803 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.986 2.132 1.057 1.00 0.00 H new ATOM 644 N VAL A 45 -8.350 1.078 -2.166 1.00 0.00 N ATOM 645 CA VAL A 45 -9.596 1.806 -2.544 1.00 0.00 C ATOM 646 C VAL A 45 -9.919 2.874 -1.494 1.00 0.00 C ATOM 647 O VAL A 45 -10.402 2.579 -0.417 1.00 0.00 O ATOM 648 CB VAL A 45 -10.687 0.736 -2.577 1.00 0.00 C ATOM 649 CG1 VAL A 45 -12.042 1.392 -2.848 1.00 0.00 C ATOM 650 CG2 VAL A 45 -10.378 -0.270 -3.686 1.00 0.00 C ATOM 0 H VAL A 45 -8.399 0.566 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.503 2.319 -3.501 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.720 0.222 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.818 0.627 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.263 2.110 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.011 1.907 -3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.155 -1.034 -3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.345 0.245 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.414 -0.740 -3.493 1.00 0.00 H new ATOM 660 N LEU A 46 -9.651 4.113 -1.800 1.00 0.00 N ATOM 661 CA LEU A 46 -9.935 5.202 -0.823 1.00 0.00 C ATOM 662 C LEU A 46 -10.524 6.415 -1.545 1.00 0.00 C ATOM 663 O LEU A 46 -10.068 6.802 -2.602 1.00 0.00 O ATOM 664 CB LEU A 46 -8.575 5.544 -0.214 1.00 0.00 C ATOM 665 CG LEU A 46 -8.774 6.199 1.153 1.00 0.00 C ATOM 666 CD1 LEU A 46 -8.417 5.198 2.254 1.00 0.00 C ATOM 667 CD2 LEU A 46 -7.867 7.426 1.268 1.00 0.00 C ATOM 0 H LEU A 46 -9.247 4.419 -2.685 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.658 4.904 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.974 4.641 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.029 6.217 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.815 6.505 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.558 5.664 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.062 4.323 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.376 4.893 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.009 7.893 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.826 7.121 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.119 8.140 0.484 1.00 0.00 H new ATOM 679 N GLU A 47 -11.535 7.017 -0.982 1.00 0.00 N ATOM 680 CA GLU A 47 -12.153 8.204 -1.637 1.00 0.00 C ATOM 681 C GLU A 47 -12.221 9.375 -0.656 1.00 0.00 C ATOM 682 O GLU A 47 -13.017 9.385 0.261 1.00 0.00 O ATOM 683 CB GLU A 47 -13.559 7.751 -2.029 1.00 0.00 C ATOM 684 CG GLU A 47 -14.109 8.677 -3.116 1.00 0.00 C ATOM 685 CD GLU A 47 -15.599 8.399 -3.319 1.00 0.00 C ATOM 686 OE1 GLU A 47 -15.935 7.262 -3.606 1.00 0.00 O ATOM 687 OE2 GLU A 47 -16.379 9.328 -3.185 1.00 0.00 O ATOM 0 H GLU A 47 -11.960 6.739 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.579 8.546 -2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.534 6.723 -2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.214 7.766 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.958 9.718 -2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.569 8.520 -4.050 1.00 0.00 H new ATOM 775 N THR A 53 -10.870 6.521 -4.990 1.00 0.00 N ATOM 776 CA THR A 53 -10.907 5.023 -5.004 1.00 0.00 C ATOM 777 C THR A 53 -9.580 4.440 -5.509 1.00 0.00 C ATOM 778 O THR A 53 -8.792 3.924 -4.742 1.00 0.00 O ATOM 779 CB THR A 53 -12.062 4.647 -5.940 1.00 0.00 C ATOM 780 OG1 THR A 53 -13.249 5.298 -5.508 1.00 0.00 O ATOM 781 CG2 THR A 53 -12.272 3.132 -5.910 1.00 0.00 C ATOM 0 HA THR A 53 -11.054 4.619 -4.002 1.00 0.00 H new ATOM 0 HB THR A 53 -11.823 4.959 -6.957 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.015 6.114 -5.019 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.093 2.865 -6.575 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.361 2.632 -6.239 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.512 2.818 -4.894 1.00 0.00 H new ATOM 789 N GLU A 54 -9.327 4.506 -6.786 1.00 0.00 N ATOM 790 CA GLU A 54 -8.053 3.946 -7.324 1.00 0.00 C ATOM 791 C GLU A 54 -6.847 4.576 -6.621 1.00 0.00 C ATOM 792 O GLU A 54 -6.327 5.587 -7.048 1.00 0.00 O ATOM 793 CB GLU A 54 -8.058 4.311 -8.808 1.00 0.00 C ATOM 794 CG GLU A 54 -9.063 3.427 -9.548 1.00 0.00 C ATOM 795 CD GLU A 54 -8.497 3.053 -10.920 1.00 0.00 C ATOM 796 OE1 GLU A 54 -8.722 3.802 -11.856 1.00 0.00 O ATOM 797 OE2 GLU A 54 -7.851 2.023 -11.011 1.00 0.00 O ATOM 0 H GLU A 54 -9.946 4.923 -7.481 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.980 2.870 -7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.320 5.362 -8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.062 4.178 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.267 2.526 -8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.010 3.953 -9.664 1.00 0.00 H new ATOM 804 N ILE A 55 -6.391 3.980 -5.552 1.00 0.00 N ATOM 805 CA ILE A 55 -5.211 4.543 -4.835 1.00 0.00 C ATOM 806 C ILE A 55 -3.924 3.966 -5.435 1.00 0.00 C ATOM 807 O ILE A 55 -3.549 2.841 -5.165 1.00 0.00 O ATOM 808 CB ILE A 55 -5.388 4.115 -3.370 1.00 0.00 C ATOM 809 CG1 ILE A 55 -6.513 4.938 -2.733 1.00 0.00 C ATOM 810 CG2 ILE A 55 -4.092 4.353 -2.588 1.00 0.00 C ATOM 811 CD1 ILE A 55 -6.170 6.427 -2.824 1.00 0.00 C ATOM 0 H ILE A 55 -6.783 3.131 -5.146 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.141 5.627 -4.920 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.636 3.054 -3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.456 4.739 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.646 4.647 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.231 4.046 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.286 3.771 -3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.836 5.412 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.970 7.013 -2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.236 6.618 -2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.060 6.712 -3.870 1.00 0.00 H new ATOM 823 N ASN A 56 -3.252 4.735 -6.251 1.00 0.00 N ATOM 824 CA ASN A 56 -1.992 4.247 -6.883 1.00 0.00 C ATOM 825 C ASN A 56 -0.830 4.332 -5.892 1.00 0.00 C ATOM 826 O ASN A 56 -0.568 5.366 -5.311 1.00 0.00 O ATOM 827 CB ASN A 56 -1.752 5.187 -8.064 1.00 0.00 C ATOM 828 CG ASN A 56 -2.914 5.075 -9.052 1.00 0.00 C ATOM 829 OD1 ASN A 56 -3.054 4.079 -9.732 1.00 0.00 O ATOM 830 ND2 ASN A 56 -3.758 6.065 -9.163 1.00 0.00 N ATOM 0 H ASN A 56 -3.523 5.684 -6.508 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.067 3.205 -7.195 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.659 6.214 -7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.815 4.934 -8.559 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.535 6.002 -9.821 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.641 6.902 -8.592 1.00 0.00 H new ATOM 837 N ALA A 57 -0.128 3.250 -5.702 1.00 0.00 N ATOM 838 CA ALA A 57 1.025 3.266 -4.756 1.00 0.00 C ATOM 839 C ALA A 57 1.985 4.407 -5.115 1.00 0.00 C ATOM 840 O ALA A 57 2.106 4.771 -6.267 1.00 0.00 O ATOM 841 CB ALA A 57 1.710 1.912 -4.942 1.00 0.00 C ATOM 0 H ALA A 57 -0.302 2.355 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 57 0.711 3.425 -3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.572 1.846 -4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.007 1.113 -4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.040 1.810 -5.976 1.00 0.00 H new ATOM 847 N PRO A 58 2.640 4.940 -4.112 1.00 0.00 N ATOM 848 CA PRO A 58 3.597 6.052 -4.339 1.00 0.00 C ATOM 849 C PRO A 58 4.856 5.539 -5.045 1.00 0.00 C ATOM 850 O PRO A 58 5.276 6.075 -6.051 1.00 0.00 O ATOM 851 CB PRO A 58 3.923 6.538 -2.929 1.00 0.00 C ATOM 852 CG PRO A 58 3.661 5.361 -2.046 1.00 0.00 C ATOM 853 CD PRO A 58 2.557 4.566 -2.692 1.00 0.00 C ATOM 0 HA PRO A 58 3.194 6.841 -4.974 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.960 6.865 -2.854 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.300 7.388 -2.650 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.560 4.754 -1.935 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.370 5.685 -1.047 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.701 3.495 -2.551 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.584 4.815 -2.269 1.00 0.00 H new ATOM 861 N THR A 59 5.460 4.505 -4.526 1.00 0.00 N ATOM 862 CA THR A 59 6.691 3.961 -5.170 1.00 0.00 C ATOM 863 C THR A 59 6.672 2.431 -5.144 1.00 0.00 C ATOM 864 O THR A 59 6.024 1.821 -4.316 1.00 0.00 O ATOM 865 CB THR A 59 7.850 4.496 -4.327 1.00 0.00 C ATOM 866 OG1 THR A 59 7.656 4.125 -2.970 1.00 0.00 O ATOM 867 CG2 THR A 59 7.903 6.020 -4.440 1.00 0.00 C ATOM 0 H THR A 59 5.156 4.014 -3.686 1.00 0.00 H new ATOM 0 HA THR A 59 6.774 4.259 -6.215 1.00 0.00 H new ATOM 0 HB THR A 59 8.788 4.075 -4.688 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.398 4.465 -2.428 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.729 6.401 -3.839 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.052 6.303 -5.482 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.966 6.444 -4.079 1.00 0.00 H new ATOM 875 N ASP A 60 7.381 1.806 -6.043 1.00 0.00 N ATOM 876 CA ASP A 60 7.408 0.317 -6.072 1.00 0.00 C ATOM 877 C ASP A 60 8.005 -0.228 -4.769 1.00 0.00 C ATOM 878 O ASP A 60 8.597 0.498 -3.995 1.00 0.00 O ATOM 879 CB ASP A 60 8.298 -0.039 -7.264 1.00 0.00 C ATOM 880 CG ASP A 60 9.719 0.475 -7.021 1.00 0.00 C ATOM 881 OD1 ASP A 60 9.865 1.421 -6.264 1.00 0.00 O ATOM 882 OD2 ASP A 60 10.638 -0.086 -7.595 1.00 0.00 O ATOM 0 H ASP A 60 7.944 2.263 -6.760 1.00 0.00 H new ATOM 0 HA ASP A 60 6.411 -0.113 -6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.312 -1.119 -7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.893 0.400 -8.176 1.00 0.00 H new ATOM 887 N GLY A 61 7.853 -1.501 -4.523 1.00 0.00 N ATOM 888 CA GLY A 61 8.412 -2.090 -3.273 1.00 0.00 C ATOM 889 C GLY A 61 7.558 -3.284 -2.845 1.00 0.00 C ATOM 890 O GLY A 61 6.804 -3.828 -3.624 1.00 0.00 O ATOM 0 H GLY A 61 7.366 -2.158 -5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.442 -2.406 -3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.430 -1.340 -2.482 1.00 0.00 H new ATOM 894 N LYS A 62 7.667 -3.695 -1.612 1.00 0.00 N ATOM 895 CA LYS A 62 6.856 -4.854 -1.138 1.00 0.00 C ATOM 896 C LYS A 62 6.243 -4.538 0.228 1.00 0.00 C ATOM 897 O LYS A 62 6.847 -3.880 1.052 1.00 0.00 O ATOM 898 CB LYS A 62 7.844 -6.017 -1.030 1.00 0.00 C ATOM 899 CG LYS A 62 7.075 -7.340 -1.031 1.00 0.00 C ATOM 900 CD LYS A 62 8.046 -8.500 -0.804 1.00 0.00 C ATOM 901 CE LYS A 62 7.485 -9.769 -1.449 1.00 0.00 C ATOM 902 NZ LYS A 62 6.927 -10.560 -0.318 1.00 0.00 N ATOM 0 H LYS A 62 8.282 -3.280 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 62 6.032 -5.087 -1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.546 -5.991 -1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.431 -5.926 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.315 -7.331 -0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.555 -7.469 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.020 -8.262 -1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.197 -8.658 0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.715 -9.532 -2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.264 -10.324 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.536 -11.383 -0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.885 -9.965 0.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.970 -10.885 -0.561 1.00 0.00 H new ATOM 916 N VAL A 63 5.047 -4.995 0.474 1.00 0.00 N ATOM 917 CA VAL A 63 4.400 -4.714 1.787 1.00 0.00 C ATOM 918 C VAL A 63 4.978 -5.629 2.872 1.00 0.00 C ATOM 919 O VAL A 63 5.116 -6.823 2.689 1.00 0.00 O ATOM 920 CB VAL A 63 2.905 -4.995 1.563 1.00 0.00 C ATOM 921 CG1 VAL A 63 2.176 -5.122 2.906 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.291 -3.838 0.778 1.00 0.00 C ATOM 0 H VAL A 63 4.490 -5.550 -0.176 1.00 0.00 H new ATOM 0 HA VAL A 63 4.570 -3.691 2.123 1.00 0.00 H new ATOM 0 HB VAL A 63 2.802 -5.929 1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.119 -5.321 2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.609 -5.942 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.282 -4.193 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.231 -4.031 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.409 -2.913 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.794 -3.744 -0.184 1.00 0.00 H new ATOM 932 N GLU A 64 5.300 -5.071 4.004 1.00 0.00 N ATOM 933 CA GLU A 64 5.849 -5.895 5.116 1.00 0.00 C ATOM 934 C GLU A 64 4.782 -6.079 6.203 1.00 0.00 C ATOM 935 O GLU A 64 4.931 -6.888 7.098 1.00 0.00 O ATOM 936 CB GLU A 64 7.033 -5.091 5.655 1.00 0.00 C ATOM 937 CG GLU A 64 8.084 -4.931 4.555 1.00 0.00 C ATOM 938 CD GLU A 64 9.474 -5.206 5.133 1.00 0.00 C ATOM 939 OE1 GLU A 64 10.004 -4.328 5.792 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.983 -6.291 4.907 1.00 0.00 O ATOM 0 H GLU A 64 5.206 -4.076 4.208 1.00 0.00 H new ATOM 0 HA GLU A 64 6.150 -6.891 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.696 -4.112 5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.468 -5.597 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.876 -5.620 3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.043 -3.923 4.142 1.00 0.00 H new ATOM 947 N LYS A 65 3.705 -5.334 6.131 1.00 0.00 N ATOM 948 CA LYS A 65 2.626 -5.464 7.156 1.00 0.00 C ATOM 949 C LYS A 65 1.494 -4.481 6.844 1.00 0.00 C ATOM 950 O LYS A 65 1.730 -3.347 6.480 1.00 0.00 O ATOM 951 CB LYS A 65 3.287 -5.113 8.491 1.00 0.00 C ATOM 952 CG LYS A 65 3.245 -6.330 9.416 1.00 0.00 C ATOM 953 CD LYS A 65 4.336 -6.202 10.481 1.00 0.00 C ATOM 954 CE LYS A 65 5.093 -7.527 10.600 1.00 0.00 C ATOM 955 NZ LYS A 65 6.533 -7.146 10.608 1.00 0.00 N ATOM 0 H LYS A 65 3.528 -4.641 5.404 1.00 0.00 H new ATOM 0 HA LYS A 65 2.193 -6.464 7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.319 -4.803 8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.771 -4.272 8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.267 -6.405 9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.391 -7.243 8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.025 -5.400 10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.893 -5.937 11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.820 -8.058 11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.864 -8.189 9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.118 -8.002 10.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.765 -6.648 9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.722 -6.521 11.417 1.00 0.00 H new ATOM 969 N VAL A 66 0.266 -4.906 6.977 1.00 0.00 N ATOM 970 CA VAL A 66 -0.876 -3.992 6.680 1.00 0.00 C ATOM 971 C VAL A 66 -1.234 -3.160 7.915 1.00 0.00 C ATOM 972 O VAL A 66 -0.894 -3.503 9.029 1.00 0.00 O ATOM 973 CB VAL A 66 -2.036 -4.914 6.303 1.00 0.00 C ATOM 974 CG1 VAL A 66 -1.657 -5.732 5.068 1.00 0.00 C ATOM 975 CG2 VAL A 66 -2.336 -5.858 7.468 1.00 0.00 C ATOM 0 H VAL A 66 0.004 -5.845 7.278 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.638 -3.287 5.884 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.920 -4.315 6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.484 -6.389 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.443 -5.059 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.773 -6.331 5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.163 -6.516 7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.452 -6.457 7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.607 -5.275 8.348 1.00 0.00 H new ATOM 985 N LEU A 67 -1.924 -2.068 7.722 1.00 0.00 N ATOM 986 CA LEU A 67 -2.313 -1.209 8.878 1.00 0.00 C ATOM 987 C LEU A 67 -3.826 -0.969 8.868 1.00 0.00 C ATOM 988 O LEU A 67 -4.546 -1.428 9.732 1.00 0.00 O ATOM 989 CB LEU A 67 -1.568 0.111 8.662 1.00 0.00 C ATOM 990 CG LEU A 67 -0.968 0.610 9.984 1.00 0.00 C ATOM 991 CD1 LEU A 67 -2.046 0.641 11.074 1.00 0.00 C ATOM 992 CD2 LEU A 67 0.169 -0.317 10.416 1.00 0.00 C ATOM 0 H LEU A 67 -2.236 -1.733 6.811 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.064 -1.668 9.835 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.777 -0.027 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.251 0.860 8.260 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.580 1.618 9.838 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.610 0.996 12.007 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.850 1.311 10.771 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.445 -0.363 11.219 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.593 0.040 11.355 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.217 -1.327 10.553 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.943 -0.326 9.649 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.309 -0.247 7.892 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.772 0.032 7.816 1.00 0.00 C ATOM 1006 C VAL A 68 -6.558 -1.271 7.647 1.00 0.00 C ATOM 1007 O VAL A 68 -5.996 -2.320 7.404 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.938 0.920 6.580 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -5.504 0.148 5.331 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -7.405 1.330 6.442 1.00 0.00 C ATOM 0 H VAL A 68 -3.751 0.162 7.142 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.147 0.510 8.721 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.319 1.811 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.623 0.782 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.459 -0.144 5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.121 -0.744 5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.525 1.962 5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.023 0.439 6.335 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.714 1.881 7.330 1.00 0.00 H new ATOM 1020 N LYS A 69 -7.857 -1.210 7.769 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.679 -2.444 7.610 1.00 0.00 C ATOM 1022 C LYS A 69 -9.619 -2.301 6.409 1.00 0.00 C ATOM 1023 O LYS A 69 -10.226 -1.270 6.200 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.479 -2.559 8.907 1.00 0.00 C ATOM 1025 CG LYS A 69 -8.586 -3.136 10.008 1.00 0.00 C ATOM 1026 CD LYS A 69 -9.138 -4.491 10.455 1.00 0.00 C ATOM 1027 CE LYS A 69 -10.321 -4.275 11.402 1.00 0.00 C ATOM 1028 NZ LYS A 69 -11.285 -5.359 11.067 1.00 0.00 N ATOM 0 H LYS A 69 -8.384 -0.360 7.972 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.067 -3.328 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.853 -1.579 9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.348 -3.200 8.755 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.566 -3.250 9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.546 -2.451 10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.454 -5.070 9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.359 -5.066 10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.008 -4.333 12.444 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.768 -3.291 11.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.124 -5.278 11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.570 -5.274 10.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.835 -6.284 11.220 1.00 0.00 H new ATOM 1042 N GLU A 70 -9.741 -3.331 5.617 1.00 0.00 N ATOM 1043 CA GLU A 70 -10.638 -3.262 4.427 1.00 0.00 C ATOM 1044 C GLU A 70 -12.048 -2.831 4.844 1.00 0.00 C ATOM 1045 O GLU A 70 -12.601 -3.332 5.804 1.00 0.00 O ATOM 1046 CB GLU A 70 -10.658 -4.689 3.875 1.00 0.00 C ATOM 1047 CG GLU A 70 -10.581 -4.650 2.348 1.00 0.00 C ATOM 1048 CD GLU A 70 -10.468 -6.078 1.808 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -11.274 -6.904 2.201 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -9.577 -6.320 1.012 1.00 0.00 O ATOM 0 H GLU A 70 -9.257 -4.220 5.743 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.293 -2.537 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.819 -5.257 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.568 -5.199 4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.468 -4.164 1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.721 -4.060 2.031 1.00 0.00 H new ATOM 1057 N ARG A 71 -12.639 -1.910 4.128 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.016 -1.455 4.484 1.00 0.00 C ATOM 1059 C ARG A 71 -14.060 -0.966 5.932 1.00 0.00 C ATOM 1060 O ARG A 71 -14.897 -1.375 6.712 1.00 0.00 O ATOM 1061 CB ARG A 71 -14.904 -2.691 4.308 1.00 0.00 C ATOM 1062 CG ARG A 71 -15.993 -2.399 3.273 1.00 0.00 C ATOM 1063 CD ARG A 71 -16.723 -3.698 2.922 1.00 0.00 C ATOM 1064 NE ARG A 71 -17.929 -3.270 2.161 1.00 0.00 N ATOM 1065 CZ ARG A 71 -18.730 -4.167 1.651 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -19.211 -5.115 2.407 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -19.049 -4.114 0.386 1.00 0.00 N ATOM 0 H ARG A 71 -12.228 -1.454 3.313 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.345 -0.624 3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.302 -3.541 3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.358 -2.964 5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.698 -1.668 3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.551 -1.964 2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.092 -4.356 2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.999 -4.251 3.820 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.130 -2.277 2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.962 -5.155 3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.837 -5.816 2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.673 -3.372 -0.204 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -19.674 -4.815 -0.012 1.00 0.00 H new ATOM 1081 N ASP A 72 -13.169 -0.085 6.298 1.00 0.00 N ATOM 1082 CA ASP A 72 -13.167 0.434 7.694 1.00 0.00 C ATOM 1083 C ASP A 72 -13.788 1.833 7.733 1.00 0.00 C ATOM 1084 O ASP A 72 -14.327 2.256 8.735 1.00 0.00 O ATOM 1085 CB ASP A 72 -11.692 0.490 8.095 1.00 0.00 C ATOM 1086 CG ASP A 72 -11.577 0.923 9.558 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -12.174 1.928 9.906 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -10.895 0.240 10.304 1.00 0.00 O ATOM 0 H ASP A 72 -12.444 0.297 5.691 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.748 -0.193 8.371 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.229 -0.487 7.956 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.156 1.190 7.454 1.00 0.00 H new ATOM 1093 N ALA A 73 -13.721 2.551 6.639 1.00 0.00 N ATOM 1094 CA ALA A 73 -14.308 3.927 6.592 1.00 0.00 C ATOM 1095 C ALA A 73 -13.612 4.841 7.606 1.00 0.00 C ATOM 1096 O ALA A 73 -13.265 4.421 8.692 1.00 0.00 O ATOM 1097 CB ALA A 73 -15.787 3.755 6.950 1.00 0.00 C ATOM 0 H ALA A 73 -13.283 2.242 5.772 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.182 4.387 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -16.280 4.727 6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -16.263 3.095 6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -15.872 3.321 7.946 1.00 0.00 H new ATOM 1103 N VAL A 74 -13.415 6.091 7.249 1.00 0.00 N ATOM 1104 CA VAL A 74 -12.745 7.085 8.161 1.00 0.00 C ATOM 1105 C VAL A 74 -11.651 6.435 9.022 1.00 0.00 C ATOM 1106 O VAL A 74 -11.899 5.971 10.116 1.00 0.00 O ATOM 1107 CB VAL A 74 -13.861 7.668 9.043 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -14.758 8.567 8.192 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -14.707 6.549 9.661 1.00 0.00 C ATOM 0 H VAL A 74 -13.695 6.474 6.346 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.241 7.858 7.580 1.00 0.00 H new ATOM 0 HB VAL A 74 -13.404 8.245 9.848 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -15.551 8.983 8.814 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.165 9.378 7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -15.199 7.982 7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.490 6.985 10.281 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.161 5.955 8.867 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.072 5.910 10.275 1.00 0.00 H new ATOM 1119 N GLN A 75 -10.440 6.407 8.535 1.00 0.00 N ATOM 1120 CA GLN A 75 -9.333 5.794 9.326 1.00 0.00 C ATOM 1121 C GLN A 75 -8.128 6.738 9.364 1.00 0.00 C ATOM 1122 O GLN A 75 -7.069 6.431 8.853 1.00 0.00 O ATOM 1123 CB GLN A 75 -8.979 4.504 8.584 1.00 0.00 C ATOM 1124 CG GLN A 75 -9.590 3.309 9.318 1.00 0.00 C ATOM 1125 CD GLN A 75 -8.473 2.427 9.878 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -8.491 1.225 9.712 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -7.492 2.979 10.540 1.00 0.00 N ATOM 0 H GLN A 75 -10.169 6.781 7.626 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.622 5.602 10.359 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.353 4.546 7.561 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.896 4.392 8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.233 3.656 10.127 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.216 2.732 8.637 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.476 3.989 10.680 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -6.742 2.400 10.917 1.00 0.00 H new ATOM 1136 N GLY A 76 -8.281 7.885 9.967 1.00 0.00 N ATOM 1137 CA GLY A 76 -7.145 8.848 10.037 1.00 0.00 C ATOM 1138 C GLY A 76 -6.548 8.832 11.445 1.00 0.00 C ATOM 1139 O GLY A 76 -7.211 8.497 12.407 1.00 0.00 O ATOM 0 H GLY A 76 -9.143 8.197 10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.383 8.582 9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.489 9.852 9.788 1.00 0.00 H new ATOM 1143 N GLY A 77 -5.301 9.191 11.576 1.00 0.00 N ATOM 1144 CA GLY A 77 -4.665 9.192 12.925 1.00 0.00 C ATOM 1145 C GLY A 77 -3.830 7.921 13.105 1.00 0.00 C ATOM 1146 O GLY A 77 -2.962 7.854 13.952 1.00 0.00 O ATOM 0 H GLY A 77 -4.695 9.483 10.809 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.033 10.073 13.039 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.431 9.248 13.698 1.00 0.00 H new ATOM 1150 N GLN A 78 -4.086 6.911 12.316 1.00 0.00 N ATOM 1151 CA GLN A 78 -3.305 5.648 12.448 1.00 0.00 C ATOM 1152 C GLN A 78 -2.540 5.363 11.152 1.00 0.00 C ATOM 1153 O GLN A 78 -2.832 5.923 10.113 1.00 0.00 O ATOM 1154 CB GLN A 78 -4.350 4.562 12.705 1.00 0.00 C ATOM 1155 CG GLN A 78 -3.748 3.478 13.600 1.00 0.00 C ATOM 1156 CD GLN A 78 -4.824 2.938 14.544 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -5.372 3.672 15.341 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -5.152 1.676 14.486 1.00 0.00 N ATOM 0 H GLN A 78 -4.800 6.907 11.588 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.566 5.699 13.248 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.230 4.994 13.181 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.679 4.128 11.761 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.346 2.669 12.989 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.917 3.887 14.175 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.691 1.060 13.816 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.869 1.306 15.110 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.564 4.496 11.206 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.781 4.176 9.978 1.00 0.00 C ATOM 1169 C GLY A 79 -1.723 3.654 8.891 1.00 0.00 C ATOM 1170 O GLY A 79 -2.903 3.476 9.112 1.00 0.00 O ATOM 0 H GLY A 79 -1.276 3.996 12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.259 5.066 9.625 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.020 3.429 10.204 1.00 0.00 H new ATOM 1174 N LEU A 80 -1.208 3.405 7.718 1.00 0.00 N ATOM 1175 CA LEU A 80 -2.075 2.893 6.616 1.00 0.00 C ATOM 1176 C LEU A 80 -1.522 1.567 6.084 1.00 0.00 C ATOM 1177 O LEU A 80 -2.258 0.632 5.836 1.00 0.00 O ATOM 1178 CB LEU A 80 -2.023 3.971 5.532 1.00 0.00 C ATOM 1179 CG LEU A 80 -2.715 5.239 6.038 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -2.347 6.417 5.133 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -4.231 5.034 6.019 1.00 0.00 C ATOM 0 H LEU A 80 -0.226 3.533 7.474 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.095 2.702 6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.988 4.189 5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.512 3.614 4.626 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.390 5.449 7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.840 7.320 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.267 6.563 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.672 6.208 4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.725 5.937 6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.557 4.824 5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.493 4.195 6.664 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.232 1.479 5.905 1.00 0.00 N ATOM 1194 CA ILE A 81 0.368 0.213 5.391 1.00 0.00 C ATOM 1195 C ILE A 81 1.895 0.325 5.371 1.00 0.00 C ATOM 1196 O ILE A 81 2.444 1.371 5.087 1.00 0.00 O ATOM 1197 CB ILE A 81 -0.178 0.063 3.970 1.00 0.00 C ATOM 1198 CG1 ILE A 81 0.459 -1.161 3.306 1.00 0.00 C ATOM 1199 CG2 ILE A 81 0.158 1.315 3.159 1.00 0.00 C ATOM 1200 CD1 ILE A 81 -0.109 -1.329 1.895 1.00 0.00 C ATOM 0 H ILE A 81 0.433 2.229 6.092 1.00 0.00 H new ATOM 0 HA ILE A 81 0.120 -0.646 6.014 1.00 0.00 H new ATOM 0 HB ILE A 81 -1.260 -0.065 4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.542 -1.042 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.260 -2.054 3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.231 1.208 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.295 2.187 3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.240 1.444 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.344 -2.200 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.189 -1.467 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.113 -0.439 1.305 1.00 0.00 H new ATOM 1212 N LYS A 82 2.583 -0.741 5.670 1.00 0.00 N ATOM 1213 CA LYS A 82 4.073 -0.689 5.664 1.00 0.00 C ATOM 1214 C LYS A 82 4.617 -1.251 4.350 1.00 0.00 C ATOM 1215 O LYS A 82 4.296 -2.353 3.953 1.00 0.00 O ATOM 1216 CB LYS A 82 4.509 -1.563 6.842 1.00 0.00 C ATOM 1217 CG LYS A 82 6.036 -1.646 6.877 1.00 0.00 C ATOM 1218 CD LYS A 82 6.472 -2.597 7.992 1.00 0.00 C ATOM 1219 CE LYS A 82 6.891 -1.788 9.222 1.00 0.00 C ATOM 1220 NZ LYS A 82 6.707 -2.715 10.373 1.00 0.00 N ATOM 0 H LYS A 82 2.180 -1.645 5.918 1.00 0.00 H new ATOM 0 HA LYS A 82 4.449 0.330 5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.135 -1.145 7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.082 -2.561 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.413 -1.998 5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.460 -0.656 7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.655 -3.271 8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.302 -3.217 7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.927 -1.457 9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.278 -0.893 9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.974 -2.232 11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.711 -3.008 10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.308 -3.554 10.243 1.00 0.00 H new ATOM 1234 N ILE A 83 5.441 -0.500 3.671 1.00 0.00 N ATOM 1235 CA ILE A 83 6.008 -0.990 2.380 1.00 0.00 C ATOM 1236 C ILE A 83 7.534 -0.870 2.395 1.00 0.00 C ATOM 1237 O ILE A 83 8.084 0.213 2.420 1.00 0.00 O ATOM 1238 CB ILE A 83 5.402 -0.088 1.298 1.00 0.00 C ATOM 1239 CG1 ILE A 83 5.566 1.386 1.688 1.00 0.00 C ATOM 1240 CG2 ILE A 83 3.913 -0.407 1.146 1.00 0.00 C ATOM 1241 CD1 ILE A 83 5.987 2.195 0.460 1.00 0.00 C ATOM 0 H ILE A 83 5.747 0.431 3.953 1.00 0.00 H new ATOM 0 HA ILE A 83 5.774 -2.040 2.202 1.00 0.00 H new ATOM 0 HB ILE A 83 5.918 -0.268 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.629 1.774 2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.314 1.484 2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.480 0.233 0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.792 -1.451 0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.404 -0.230 2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.104 3.243 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.934 1.813 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.224 2.107 -0.313 1.00 0.00 H new ATOM 1253 N GLY A 84 8.224 -1.978 2.382 1.00 0.00 N ATOM 1254 CA GLY A 84 9.714 -1.927 2.397 1.00 0.00 C ATOM 1255 C GLY A 84 10.229 -2.420 3.751 1.00 0.00 C ATOM 1256 O GLY A 84 11.083 -3.291 3.756 1.00 0.00 O ATOM 1257 OXT GLY A 84 9.760 -1.918 4.759 1.00 0.00 O ATOM 0 H GLY A 84 7.821 -2.915 2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.118 -2.546 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.055 -0.908 2.216 1.00 0.00 H new