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 Single : A 25 THR OG1 : rot -129:sc= -1.36 USER MOD Single : A 27 SER OG : rot 180:sc= 0 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= 0.034 K(o=0.034,f=-0.89) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00625 USER MOD Single : A 53 THR OG1 : rot 39:sc= 0.116 USER MOD Single : A 56 ASN : amide:sc= -0.019 K(o=-0.019,f=-2.5!) USER MOD Single : A 59 THR OG1 : rot -13:sc= 0.622 USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= -0.507 (180deg=-0.508) 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= 0.603 K(o=0.6,f=-9.4!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 189 N ALA A 13 0.014 4.402 14.029 1.00 0.00 N ATOM 190 CA ALA A 13 0.890 3.475 13.253 1.00 0.00 C ATOM 191 C ALA A 13 2.125 3.089 14.074 1.00 0.00 C ATOM 192 O ALA A 13 2.170 3.280 15.272 1.00 0.00 O ATOM 193 CB ALA A 13 1.301 4.266 12.010 1.00 0.00 C ATOM 0 HA ALA A 13 0.379 2.547 12.999 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.949 3.651 11.385 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.411 4.545 11.446 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.836 5.166 12.312 1.00 0.00 H new ATOM 199 N GLY A 14 3.128 2.549 13.435 1.00 0.00 N ATOM 200 CA GLY A 14 4.358 2.155 14.177 1.00 0.00 C ATOM 201 C GLY A 14 5.589 2.687 13.442 1.00 0.00 C ATOM 202 O GLY A 14 5.868 3.870 13.454 1.00 0.00 O ATOM 0 H GLY A 14 3.148 2.364 12.432 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.327 2.553 15.191 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.413 1.070 14.262 1.00 0.00 H new ATOM 206 N GLU A 15 6.326 1.825 12.797 1.00 0.00 N ATOM 207 CA GLU A 15 7.537 2.284 12.058 1.00 0.00 C ATOM 208 C GLU A 15 7.519 1.734 10.631 1.00 0.00 C ATOM 209 O GLU A 15 6.854 0.759 10.339 1.00 0.00 O ATOM 210 CB GLU A 15 8.721 1.714 12.840 1.00 0.00 C ATOM 211 CG GLU A 15 9.908 2.674 12.738 1.00 0.00 C ATOM 212 CD GLU A 15 11.080 2.124 13.553 1.00 0.00 C ATOM 213 OE1 GLU A 15 11.321 0.931 13.476 1.00 0.00 O ATOM 214 OE2 GLU A 15 11.718 2.906 14.240 1.00 0.00 O ATOM 0 H GLU A 15 6.142 0.823 12.749 1.00 0.00 H new ATOM 0 HA GLU A 15 7.589 3.370 11.981 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.445 1.569 13.885 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.995 0.736 12.444 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.202 2.797 11.696 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.625 3.660 13.107 1.00 0.00 H new ATOM 221 N GLY A 16 8.243 2.350 9.736 1.00 0.00 N ATOM 222 CA GLY A 16 8.261 1.859 8.329 1.00 0.00 C ATOM 223 C GLY A 16 6.837 1.859 7.772 1.00 0.00 C ATOM 224 O GLY A 16 6.437 0.958 7.062 1.00 0.00 O ATOM 0 H GLY A 16 8.821 3.170 9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.902 2.495 7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.679 0.853 8.289 1.00 0.00 H new ATOM 228 N GLU A 17 6.068 2.865 8.089 1.00 0.00 N ATOM 229 CA GLU A 17 4.670 2.923 7.579 1.00 0.00 C ATOM 230 C GLU A 17 4.349 4.330 7.064 1.00 0.00 C ATOM 231 O GLU A 17 5.018 5.290 7.394 1.00 0.00 O ATOM 232 CB GLU A 17 3.790 2.576 8.784 1.00 0.00 C ATOM 233 CG GLU A 17 3.935 3.656 9.862 1.00 0.00 C ATOM 234 CD GLU A 17 2.940 4.791 9.595 1.00 0.00 C ATOM 235 OE1 GLU A 17 2.182 4.682 8.644 1.00 0.00 O ATOM 236 OE2 GLU A 17 2.953 5.750 10.348 1.00 0.00 O ATOM 0 H GLU A 17 6.348 3.649 8.679 1.00 0.00 H new ATOM 0 HA GLU A 17 4.508 2.238 6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.748 2.497 8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.077 1.605 9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.755 3.226 10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.953 4.045 9.865 1.00 0.00 H new ATOM 243 N ILE A 18 3.330 4.459 6.261 1.00 0.00 N ATOM 244 CA ILE A 18 2.965 5.804 5.729 1.00 0.00 C ATOM 245 C ILE A 18 1.554 6.185 6.200 1.00 0.00 C ATOM 246 O ILE A 18 0.576 5.698 5.669 1.00 0.00 O ATOM 247 CB ILE A 18 3.005 5.651 4.209 1.00 0.00 C ATOM 248 CG1 ILE A 18 4.439 5.353 3.765 1.00 0.00 C ATOM 249 CG2 ILE A 18 2.527 6.946 3.551 1.00 0.00 C ATOM 250 CD1 ILE A 18 4.694 3.847 3.833 1.00 0.00 C ATOM 0 H ILE A 18 2.734 3.692 5.949 1.00 0.00 H new ATOM 0 HA ILE A 18 3.639 6.588 6.074 1.00 0.00 H new ATOM 0 HB ILE A 18 2.353 4.831 3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.598 5.714 2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.146 5.881 4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.556 6.836 2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.506 7.159 3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.178 7.768 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.716 3.636 3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.552 3.500 4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.996 3.330 3.175 1.00 0.00 H new ATOM 262 N PRO A 19 1.492 7.045 7.188 1.00 0.00 N ATOM 263 CA PRO A 19 0.180 7.480 7.727 1.00 0.00 C ATOM 264 C PRO A 19 -0.528 8.407 6.734 1.00 0.00 C ATOM 265 O PRO A 19 0.097 9.035 5.903 1.00 0.00 O ATOM 266 CB PRO A 19 0.545 8.227 9.007 1.00 0.00 C ATOM 267 CG PRO A 19 1.952 8.690 8.796 1.00 0.00 C ATOM 268 CD PRO A 19 2.614 7.686 7.889 1.00 0.00 C ATOM 0 HA PRO A 19 -0.504 6.651 7.906 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.126 9.069 9.178 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.470 7.577 9.879 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.968 9.684 8.348 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.482 8.760 9.746 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.297 8.169 7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.198 6.960 8.456 1.00 0.00 H new ATOM 276 N ALA A 20 -1.827 8.499 6.818 1.00 0.00 N ATOM 277 CA ALA A 20 -2.574 9.387 5.879 1.00 0.00 C ATOM 278 C ALA A 20 -2.619 10.819 6.431 1.00 0.00 C ATOM 279 O ALA A 20 -2.814 11.015 7.614 1.00 0.00 O ATOM 280 CB ALA A 20 -3.981 8.794 5.812 1.00 0.00 C ATOM 0 H ALA A 20 -2.404 7.999 7.495 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.106 9.439 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.596 9.392 5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.927 7.770 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.425 8.797 6.808 1.00 0.00 H new ATOM 286 N PRO A 21 -2.434 11.779 5.557 1.00 0.00 N ATOM 287 CA PRO A 21 -2.457 13.200 5.983 1.00 0.00 C ATOM 288 C PRO A 21 -3.890 13.648 6.278 1.00 0.00 C ATOM 289 O PRO A 21 -4.121 14.542 7.068 1.00 0.00 O ATOM 290 CB PRO A 21 -1.892 13.947 4.779 1.00 0.00 C ATOM 291 CG PRO A 21 -2.168 13.061 3.605 1.00 0.00 C ATOM 292 CD PRO A 21 -2.192 11.642 4.113 1.00 0.00 C ATOM 0 HA PRO A 21 -1.889 13.381 6.895 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.369 14.920 4.659 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.823 14.128 4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.121 13.320 3.143 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.400 13.183 2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.978 11.060 3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.250 11.132 3.914 1.00 0.00 H new ATOM 300 N LEU A 22 -4.855 13.038 5.647 1.00 0.00 N ATOM 301 CA LEU A 22 -6.271 13.433 5.892 1.00 0.00 C ATOM 302 C LEU A 22 -7.133 12.193 6.146 1.00 0.00 C ATOM 303 O LEU A 22 -6.726 11.078 5.887 1.00 0.00 O ATOM 304 CB LEU A 22 -6.712 14.137 4.607 1.00 0.00 C ATOM 305 CG LEU A 22 -7.541 15.372 4.961 1.00 0.00 C ATOM 306 CD1 LEU A 22 -6.644 16.612 4.945 1.00 0.00 C ATOM 307 CD2 LEU A 22 -8.663 15.543 3.934 1.00 0.00 C ATOM 0 H LEU A 22 -4.725 12.284 4.973 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.374 14.075 6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.840 14.427 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.299 13.457 3.990 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.971 15.248 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.235 17.492 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.843 16.491 5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.214 16.737 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.255 16.423 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.231 15.667 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.303 14.661 3.944 1.00 0.00 H new ATOM 319 N ALA A 23 -8.321 12.379 6.654 1.00 0.00 N ATOM 320 CA ALA A 23 -9.207 11.211 6.924 1.00 0.00 C ATOM 321 C ALA A 23 -9.531 10.478 5.620 1.00 0.00 C ATOM 322 O ALA A 23 -9.473 11.044 4.547 1.00 0.00 O ATOM 323 CB ALA A 23 -10.476 11.809 7.533 1.00 0.00 C ATOM 0 H ALA A 23 -8.716 13.288 6.894 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.740 10.484 7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.182 11.010 7.761 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.223 12.342 8.449 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.929 12.501 6.823 1.00 0.00 H new ATOM 329 N GLY A 24 -9.874 9.221 5.705 1.00 0.00 N ATOM 330 CA GLY A 24 -10.203 8.454 4.472 1.00 0.00 C ATOM 331 C GLY A 24 -11.482 7.651 4.704 1.00 0.00 C ATOM 332 O GLY A 24 -12.098 7.735 5.749 1.00 0.00 O ATOM 0 H GLY A 24 -9.940 8.693 6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.335 9.134 3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.381 7.785 4.216 1.00 0.00 H new ATOM 336 N THR A 25 -11.892 6.876 3.740 1.00 0.00 N ATOM 337 CA THR A 25 -13.134 6.072 3.910 1.00 0.00 C ATOM 338 C THR A 25 -12.830 4.576 3.703 1.00 0.00 C ATOM 339 O THR A 25 -11.878 4.060 4.252 1.00 0.00 O ATOM 340 CB THR A 25 -14.091 6.611 2.842 1.00 0.00 C ATOM 341 OG1 THR A 25 -13.889 8.009 2.685 1.00 0.00 O ATOM 342 CG2 THR A 25 -15.534 6.347 3.272 1.00 0.00 C ATOM 0 H THR A 25 -11.421 6.764 2.842 1.00 0.00 H new ATOM 0 HA THR A 25 -13.563 6.156 4.908 1.00 0.00 H new ATOM 0 HB THR A 25 -13.897 6.109 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.750 8.473 2.746 1.00 0.00 H new ATOM 0 HG21 THR A 25 -16.216 6.730 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.688 5.274 3.390 1.00 0.00 H new ATOM 0 HG23 THR A 25 -15.729 6.848 4.220 1.00 0.00 H new ATOM 350 N VAL A 26 -13.639 3.880 2.931 1.00 0.00 N ATOM 351 CA VAL A 26 -13.422 2.414 2.685 1.00 0.00 C ATOM 352 C VAL A 26 -11.932 2.055 2.583 1.00 0.00 C ATOM 353 O VAL A 26 -11.480 1.095 3.173 1.00 0.00 O ATOM 354 CB VAL A 26 -14.125 2.123 1.352 1.00 0.00 C ATOM 355 CG1 VAL A 26 -15.639 2.220 1.546 1.00 0.00 C ATOM 356 CG2 VAL A 26 -13.679 3.126 0.283 1.00 0.00 C ATOM 0 H VAL A 26 -14.451 4.272 2.455 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.816 1.822 3.511 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.859 1.119 1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.141 2.014 0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.958 1.492 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.899 3.223 1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.186 2.906 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.932 4.136 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.601 3.050 0.140 1.00 0.00 H new ATOM 366 N SER A 27 -11.168 2.808 1.840 1.00 0.00 N ATOM 367 CA SER A 27 -9.716 2.487 1.716 1.00 0.00 C ATOM 368 C SER A 27 -9.540 1.042 1.244 1.00 0.00 C ATOM 369 O SER A 27 -8.698 0.317 1.734 1.00 0.00 O ATOM 370 CB SER A 27 -9.144 2.667 3.122 1.00 0.00 C ATOM 371 OG SER A 27 -7.775 3.039 3.030 1.00 0.00 O ATOM 0 H SER A 27 -11.482 3.625 1.317 1.00 0.00 H new ATOM 0 HA SER A 27 -9.211 3.125 0.991 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.705 3.432 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.244 1.741 3.688 1.00 0.00 H new ATOM 0 HG SER A 27 -7.407 3.156 3.931 1.00 0.00 H new ATOM 377 N LYS A 28 -10.331 0.616 0.294 1.00 0.00 N ATOM 378 CA LYS A 28 -10.209 -0.783 -0.208 1.00 0.00 C ATOM 379 C LYS A 28 -8.757 -1.082 -0.591 1.00 0.00 C ATOM 380 O LYS A 28 -8.321 -0.794 -1.687 1.00 0.00 O ATOM 381 CB LYS A 28 -11.114 -0.843 -1.441 1.00 0.00 C ATOM 382 CG LYS A 28 -12.347 -1.697 -1.133 1.00 0.00 C ATOM 383 CD LYS A 28 -13.611 -0.856 -1.321 1.00 0.00 C ATOM 384 CE LYS A 28 -14.147 -1.046 -2.742 1.00 0.00 C ATOM 385 NZ LYS A 28 -14.338 0.334 -3.268 1.00 0.00 N ATOM 0 H LYS A 28 -11.055 1.176 -0.155 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.497 -1.518 0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.419 0.163 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.568 -1.265 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.374 -2.566 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.296 -2.073 -0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.368 -1.151 -0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.390 0.196 -1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.445 -1.609 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.085 -1.601 -2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.704 0.287 -4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.016 0.844 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.427 0.836 -3.265 1.00 0.00 H new ATOM 399 N ILE A 29 -8.006 -1.655 0.309 1.00 0.00 N ATOM 400 CA ILE A 29 -6.582 -1.972 0.003 1.00 0.00 C ATOM 401 C ILE A 29 -6.498 -3.075 -1.054 1.00 0.00 C ATOM 402 O ILE A 29 -6.400 -4.244 -0.739 1.00 0.00 O ATOM 403 CB ILE A 29 -5.992 -2.453 1.329 1.00 0.00 C ATOM 404 CG1 ILE A 29 -4.536 -2.877 1.115 1.00 0.00 C ATOM 405 CG2 ILE A 29 -6.799 -3.645 1.846 1.00 0.00 C ATOM 406 CD1 ILE A 29 -3.868 -3.109 2.471 1.00 0.00 C ATOM 0 H ILE A 29 -8.317 -1.918 1.244 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.044 -1.112 -0.396 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.033 -1.644 2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.495 -3.787 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.000 -2.107 0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.378 -3.987 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.835 -3.344 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.760 -4.455 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.832 -3.411 2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.896 -2.188 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.399 -3.894 3.009 1.00 0.00 H new ATOM 418 N LEU A 30 -6.532 -2.713 -2.308 1.00 0.00 N ATOM 419 CA LEU A 30 -6.452 -3.744 -3.383 1.00 0.00 C ATOM 420 C LEU A 30 -5.212 -4.618 -3.179 1.00 0.00 C ATOM 421 O LEU A 30 -5.255 -5.823 -3.331 1.00 0.00 O ATOM 422 CB LEU A 30 -6.342 -2.951 -4.687 1.00 0.00 C ATOM 423 CG LEU A 30 -7.703 -2.912 -5.387 1.00 0.00 C ATOM 424 CD1 LEU A 30 -8.126 -4.334 -5.763 1.00 0.00 C ATOM 425 CD2 LEU A 30 -8.748 -2.303 -4.448 1.00 0.00 C ATOM 0 H LEU A 30 -6.612 -1.750 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.315 -4.409 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.001 -1.937 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.600 -3.409 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.627 -2.304 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.095 -4.306 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.385 -4.768 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.199 -4.942 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.716 -2.276 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.823 -2.909 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.450 -1.289 -4.181 1.00 0.00 H new ATOM 437 N VAL A 31 -4.106 -4.019 -2.831 1.00 0.00 N ATOM 438 CA VAL A 31 -2.864 -4.815 -2.614 1.00 0.00 C ATOM 439 C VAL A 31 -3.071 -5.805 -1.464 1.00 0.00 C ATOM 440 O VAL A 31 -4.005 -5.691 -0.696 1.00 0.00 O ATOM 441 CB VAL A 31 -1.794 -3.785 -2.249 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.204 -3.051 -0.971 1.00 0.00 C ATOM 443 CG2 VAL A 31 -0.457 -4.495 -2.022 1.00 0.00 C ATOM 0 H VAL A 31 -4.008 -3.014 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.585 -5.398 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.691 -3.067 -3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.441 -2.317 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.155 -2.544 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.309 -3.768 -0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.305 -3.761 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.560 -5.214 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.163 -5.016 -2.933 1.00 0.00 H new ATOM 453 N LYS A 32 -2.211 -6.779 -1.342 1.00 0.00 N ATOM 454 CA LYS A 32 -2.364 -7.774 -0.243 1.00 0.00 C ATOM 455 C LYS A 32 -1.093 -7.822 0.610 1.00 0.00 C ATOM 456 O LYS A 32 -0.074 -7.265 0.255 1.00 0.00 O ATOM 457 CB LYS A 32 -2.587 -9.112 -0.951 1.00 0.00 C ATOM 458 CG LYS A 32 -3.739 -9.862 -0.279 1.00 0.00 C ATOM 459 CD LYS A 32 -4.307 -10.902 -1.247 1.00 0.00 C ATOM 460 CE LYS A 32 -5.315 -10.235 -2.185 1.00 0.00 C ATOM 461 NZ LYS A 32 -5.814 -11.335 -3.058 1.00 0.00 N ATOM 0 H LYS A 32 -1.410 -6.929 -1.955 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.186 -7.525 0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.814 -8.945 -2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.678 -9.712 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.388 -10.350 0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.519 -9.161 0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.501 -11.354 -1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.789 -11.706 -0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.129 -9.774 -1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.845 -9.446 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.511 -10.956 -3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.018 -11.750 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.262 -12.068 -2.471 1.00 0.00 H new ATOM 475 N GLU A 33 -1.146 -8.485 1.735 1.00 0.00 N ATOM 476 CA GLU A 33 0.059 -8.568 2.609 1.00 0.00 C ATOM 477 C GLU A 33 0.977 -9.698 2.134 1.00 0.00 C ATOM 478 O GLU A 33 0.533 -10.792 1.844 1.00 0.00 O ATOM 479 CB GLU A 33 -0.485 -8.865 4.006 1.00 0.00 C ATOM 480 CG GLU A 33 0.384 -8.166 5.054 1.00 0.00 C ATOM 481 CD GLU A 33 1.376 -9.170 5.646 1.00 0.00 C ATOM 482 OE1 GLU A 33 0.933 -10.074 6.333 1.00 0.00 O ATOM 483 OE2 GLU A 33 2.561 -9.015 5.401 1.00 0.00 O ATOM 0 H GLU A 33 -1.971 -8.972 2.085 1.00 0.00 H new ATOM 0 HA GLU A 33 0.649 -7.652 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.516 -8.522 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.492 -9.940 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.921 -7.333 4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.243 -7.750 5.843 1.00 0.00 H new ATOM 490 N GLY A 34 2.252 -9.441 2.049 1.00 0.00 N ATOM 491 CA GLY A 34 3.197 -10.497 1.588 1.00 0.00 C ATOM 492 C GLY A 34 3.277 -10.482 0.058 1.00 0.00 C ATOM 493 O GLY A 34 3.702 -11.440 -0.558 1.00 0.00 O ATOM 0 H GLY A 34 2.681 -8.545 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.185 -10.327 2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.863 -11.475 1.935 1.00 0.00 H new ATOM 497 N ASP A 35 2.879 -9.401 -0.560 1.00 0.00 N ATOM 498 CA ASP A 35 2.938 -9.327 -2.048 1.00 0.00 C ATOM 499 C ASP A 35 3.908 -8.225 -2.477 1.00 0.00 C ATOM 500 O ASP A 35 4.497 -7.550 -1.656 1.00 0.00 O ATOM 501 CB ASP A 35 1.511 -8.988 -2.485 1.00 0.00 C ATOM 502 CG ASP A 35 0.946 -10.138 -3.320 1.00 0.00 C ATOM 503 OD1 ASP A 35 1.564 -10.481 -4.315 1.00 0.00 O ATOM 504 OD2 ASP A 35 -0.097 -10.654 -2.952 1.00 0.00 O ATOM 0 H ASP A 35 2.516 -8.567 -0.098 1.00 0.00 H new ATOM 0 HA ASP A 35 3.290 -10.256 -2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.883 -8.816 -1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.507 -8.066 -3.066 1.00 0.00 H new ATOM 509 N THR A 36 4.084 -8.037 -3.756 1.00 0.00 N ATOM 510 CA THR A 36 5.020 -6.976 -4.226 1.00 0.00 C ATOM 511 C THR A 36 4.289 -5.977 -5.126 1.00 0.00 C ATOM 512 O THR A 36 3.464 -6.345 -5.939 1.00 0.00 O ATOM 513 CB THR A 36 6.096 -7.722 -5.019 1.00 0.00 C ATOM 514 OG1 THR A 36 6.774 -8.627 -4.158 1.00 0.00 O ATOM 515 CG2 THR A 36 7.095 -6.719 -5.598 1.00 0.00 C ATOM 0 H THR A 36 3.623 -8.569 -4.494 1.00 0.00 H new ATOM 0 HA THR A 36 5.441 -6.405 -3.399 1.00 0.00 H new ATOM 0 HB THR A 36 5.629 -8.276 -5.834 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.462 -9.107 -4.664 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.860 -7.252 -6.162 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.574 -6.026 -6.259 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.564 -6.163 -4.786 1.00 0.00 H new ATOM 523 N VAL A 37 4.591 -4.715 -4.989 1.00 0.00 N ATOM 524 CA VAL A 37 3.922 -3.686 -5.838 1.00 0.00 C ATOM 525 C VAL A 37 4.974 -2.776 -6.476 1.00 0.00 C ATOM 526 O VAL A 37 6.152 -2.886 -6.199 1.00 0.00 O ATOM 527 CB VAL A 37 3.030 -2.892 -4.881 1.00 0.00 C ATOM 528 CG1 VAL A 37 1.923 -3.801 -4.341 1.00 0.00 C ATOM 529 CG2 VAL A 37 3.869 -2.364 -3.715 1.00 0.00 C ATOM 0 H VAL A 37 5.274 -4.350 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 37 3.345 -4.129 -6.650 1.00 0.00 H new ATOM 0 HB VAL A 37 2.584 -2.053 -5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.288 -3.235 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.323 -4.175 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.369 -4.641 -3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.232 -1.799 -3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.317 -3.202 -3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.656 -1.715 -4.098 1.00 0.00 H new ATOM 539 N LYS A 38 4.563 -1.878 -7.329 1.00 0.00 N ATOM 540 CA LYS A 38 5.550 -0.969 -7.981 1.00 0.00 C ATOM 541 C LYS A 38 5.154 0.493 -7.761 1.00 0.00 C ATOM 542 O LYS A 38 4.022 0.799 -7.445 1.00 0.00 O ATOM 543 CB LYS A 38 5.490 -1.322 -9.467 1.00 0.00 C ATOM 544 CG LYS A 38 6.689 -2.200 -9.833 1.00 0.00 C ATOM 545 CD LYS A 38 7.405 -1.605 -11.046 1.00 0.00 C ATOM 546 CE LYS A 38 6.962 -2.342 -12.312 1.00 0.00 C ATOM 547 NZ LYS A 38 7.363 -1.453 -13.437 1.00 0.00 N ATOM 0 H LYS A 38 3.591 -1.734 -7.602 1.00 0.00 H new ATOM 0 HA LYS A 38 6.553 -1.089 -7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.561 -1.846 -9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.495 -0.413 -10.068 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.375 -2.267 -8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.357 -3.214 -10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.176 -0.543 -11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.485 -1.690 -10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.443 -3.317 -12.389 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.886 -2.516 -12.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.092 -1.892 -14.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.885 -0.534 -13.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.393 -1.311 -13.417 1.00 0.00 H new ATOM 561 N ALA A 39 6.079 1.399 -7.930 1.00 0.00 N ATOM 562 CA ALA A 39 5.753 2.842 -7.735 1.00 0.00 C ATOM 563 C ALA A 39 4.710 3.289 -8.763 1.00 0.00 C ATOM 564 O ALA A 39 4.872 3.091 -9.951 1.00 0.00 O ATOM 565 CB ALA A 39 7.074 3.581 -7.951 1.00 0.00 C ATOM 0 H ALA A 39 7.045 1.203 -8.194 1.00 0.00 H new ATOM 0 HA ALA A 39 5.334 3.042 -6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.917 4.652 -7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.808 3.234 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.440 3.385 -8.959 1.00 0.00 H new ATOM 571 N GLY A 40 3.644 3.892 -8.316 1.00 0.00 N ATOM 572 CA GLY A 40 2.592 4.350 -9.269 1.00 0.00 C ATOM 573 C GLY A 40 1.552 3.244 -9.465 1.00 0.00 C ATOM 574 O GLY A 40 0.809 3.245 -10.426 1.00 0.00 O ATOM 0 H GLY A 40 3.455 4.088 -7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.111 5.251 -8.888 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.044 4.610 -10.226 1.00 0.00 H new ATOM 578 N GLN A 41 1.487 2.301 -8.563 1.00 0.00 N ATOM 579 CA GLN A 41 0.489 1.203 -8.708 1.00 0.00 C ATOM 580 C GLN A 41 -0.611 1.353 -7.654 1.00 0.00 C ATOM 581 O GLN A 41 -0.381 1.186 -6.472 1.00 0.00 O ATOM 582 CB GLN A 41 1.276 -0.089 -8.483 1.00 0.00 C ATOM 583 CG GLN A 41 0.400 -1.288 -8.852 1.00 0.00 C ATOM 584 CD GLN A 41 1.153 -2.587 -8.555 1.00 0.00 C ATOM 585 OE1 GLN A 41 2.217 -2.823 -9.093 1.00 0.00 O ATOM 586 NE2 GLN A 41 0.642 -3.444 -7.714 1.00 0.00 N ATOM 0 H GLN A 41 2.080 2.244 -7.735 1.00 0.00 H new ATOM 0 HA GLN A 41 0.002 1.214 -9.683 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.182 -0.086 -9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.589 -0.160 -7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.531 -1.258 -8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.133 -1.244 -9.908 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.251 -3.245 -7.263 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.136 -4.312 -7.508 1.00 0.00 H new ATOM 595 N THR A 42 -1.806 1.670 -8.073 1.00 0.00 N ATOM 596 CA THR A 42 -2.923 1.833 -7.099 1.00 0.00 C ATOM 597 C THR A 42 -3.014 0.614 -6.177 1.00 0.00 C ATOM 598 O THR A 42 -3.281 -0.488 -6.613 1.00 0.00 O ATOM 599 CB THR A 42 -4.184 1.948 -7.959 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.024 3.008 -8.892 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.389 2.231 -7.064 1.00 0.00 C ATOM 0 H THR A 42 -2.057 1.823 -9.050 1.00 0.00 H new ATOM 0 HA THR A 42 -2.783 2.703 -6.457 1.00 0.00 H new ATOM 0 HB THR A 42 -4.345 1.013 -8.496 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.830 3.082 -9.445 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.286 2.313 -7.677 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.511 1.417 -6.349 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.231 3.166 -6.526 1.00 0.00 H new ATOM 609 N VAL A 43 -2.795 0.806 -4.906 1.00 0.00 N ATOM 610 CA VAL A 43 -2.871 -0.336 -3.953 1.00 0.00 C ATOM 611 C VAL A 43 -4.023 -0.123 -2.968 1.00 0.00 C ATOM 612 O VAL A 43 -4.531 -1.059 -2.381 1.00 0.00 O ATOM 613 CB VAL A 43 -1.528 -0.333 -3.220 1.00 0.00 C ATOM 614 CG1 VAL A 43 -0.404 -0.644 -4.211 1.00 0.00 C ATOM 615 CG2 VAL A 43 -1.287 1.042 -2.592 1.00 0.00 C ATOM 0 H VAL A 43 -2.566 1.707 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.055 -1.285 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.543 -1.091 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.553 -0.642 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.572 -1.625 -4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.391 0.113 -4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.330 1.041 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.274 1.802 -3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.086 1.264 -1.884 1.00 0.00 H new ATOM 625 N LEU A 44 -4.439 1.100 -2.779 1.00 0.00 N ATOM 626 CA LEU A 44 -5.559 1.366 -1.830 1.00 0.00 C ATOM 627 C LEU A 44 -6.611 2.269 -2.485 1.00 0.00 C ATOM 628 O LEU A 44 -6.318 3.017 -3.396 1.00 0.00 O ATOM 629 CB LEU A 44 -4.908 2.070 -0.638 1.00 0.00 C ATOM 630 CG LEU A 44 -4.212 1.034 0.247 1.00 0.00 C ATOM 631 CD1 LEU A 44 -2.730 1.387 0.376 1.00 0.00 C ATOM 632 CD2 LEU A 44 -4.858 1.032 1.634 1.00 0.00 C ATOM 0 H LEU A 44 -4.053 1.925 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.073 0.452 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.187 2.809 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.662 2.608 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.312 0.046 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.234 0.649 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.269 1.389 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.629 2.375 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.363 0.294 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.758 2.020 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.915 0.781 1.543 1.00 0.00 H new ATOM 644 N VAL A 45 -7.836 2.197 -2.035 1.00 0.00 N ATOM 645 CA VAL A 45 -8.904 3.047 -2.641 1.00 0.00 C ATOM 646 C VAL A 45 -9.661 3.824 -1.559 1.00 0.00 C ATOM 647 O VAL A 45 -10.416 3.263 -0.786 1.00 0.00 O ATOM 648 CB VAL A 45 -9.839 2.061 -3.342 1.00 0.00 C ATOM 649 CG1 VAL A 45 -11.034 2.816 -3.930 1.00 0.00 C ATOM 650 CG2 VAL A 45 -9.081 1.354 -4.467 1.00 0.00 C ATOM 0 H VAL A 45 -8.143 1.588 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.494 3.789 -3.327 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.195 1.324 -2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.699 2.112 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.575 3.321 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.680 3.553 -4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.746 0.651 -4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.725 2.092 -5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.230 0.815 -4.050 1.00 0.00 H new ATOM 660 N LEU A 46 -9.475 5.115 -1.505 1.00 0.00 N ATOM 661 CA LEU A 46 -10.190 5.930 -0.480 1.00 0.00 C ATOM 662 C LEU A 46 -11.430 6.582 -1.102 1.00 0.00 C ATOM 663 O LEU A 46 -11.445 6.919 -2.268 1.00 0.00 O ATOM 664 CB LEU A 46 -9.182 6.993 -0.046 1.00 0.00 C ATOM 665 CG LEU A 46 -8.168 6.364 0.910 1.00 0.00 C ATOM 666 CD1 LEU A 46 -6.932 7.261 1.006 1.00 0.00 C ATOM 667 CD2 LEU A 46 -8.799 6.215 2.294 1.00 0.00 C ATOM 0 H LEU A 46 -8.859 5.641 -2.126 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.534 5.331 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.672 7.405 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.696 7.821 0.443 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.876 5.383 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.209 6.813 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.482 7.368 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.223 8.243 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.077 5.767 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.091 7.196 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.679 5.576 2.226 1.00 0.00 H new ATOM 679 N GLU A 47 -12.470 6.756 -0.334 1.00 0.00 N ATOM 680 CA GLU A 47 -13.706 7.380 -0.889 1.00 0.00 C ATOM 681 C GLU A 47 -14.153 8.556 -0.016 1.00 0.00 C ATOM 682 O GLU A 47 -15.247 8.567 0.512 1.00 0.00 O ATOM 683 CB GLU A 47 -14.757 6.269 -0.864 1.00 0.00 C ATOM 684 CG GLU A 47 -15.748 6.480 -2.011 1.00 0.00 C ATOM 685 CD GLU A 47 -17.061 5.765 -1.689 1.00 0.00 C ATOM 686 OE1 GLU A 47 -17.001 4.644 -1.208 1.00 0.00 O ATOM 687 OE2 GLU A 47 -18.106 6.348 -1.930 1.00 0.00 O ATOM 0 H GLU A 47 -12.518 6.494 0.651 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.548 7.775 -1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.276 5.296 -0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.283 6.272 0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.928 7.545 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.331 6.095 -2.942 1.00 0.00 H new ATOM 775 N THR A 53 -10.384 8.177 -4.949 1.00 0.00 N ATOM 776 CA THR A 53 -8.938 8.520 -5.057 1.00 0.00 C ATOM 777 C THR A 53 -8.091 7.247 -5.135 1.00 0.00 C ATOM 778 O THR A 53 -8.024 6.476 -4.198 1.00 0.00 O ATOM 779 CB THR A 53 -8.621 9.297 -3.777 1.00 0.00 C ATOM 780 OG1 THR A 53 -9.364 10.509 -3.765 1.00 0.00 O ATOM 781 CG2 THR A 53 -7.126 9.614 -3.723 1.00 0.00 C ATOM 0 HA THR A 53 -8.718 9.099 -5.954 1.00 0.00 H new ATOM 0 HB THR A 53 -8.892 8.693 -2.911 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.259 10.347 -4.129 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.904 10.167 -2.810 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.556 8.685 -3.732 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.850 10.216 -4.589 1.00 0.00 H new ATOM 789 N GLU A 54 -7.437 7.026 -6.243 1.00 0.00 N ATOM 790 CA GLU A 54 -6.588 5.808 -6.376 1.00 0.00 C ATOM 791 C GLU A 54 -5.268 6.019 -5.631 1.00 0.00 C ATOM 792 O GLU A 54 -4.503 6.910 -5.943 1.00 0.00 O ATOM 793 CB GLU A 54 -6.343 5.652 -7.877 1.00 0.00 C ATOM 794 CG GLU A 54 -7.420 4.748 -8.479 1.00 0.00 C ATOM 795 CD GLU A 54 -8.777 5.451 -8.399 1.00 0.00 C ATOM 796 OE1 GLU A 54 -9.267 5.627 -7.296 1.00 0.00 O ATOM 797 OE2 GLU A 54 -9.303 5.801 -9.443 1.00 0.00 O ATOM 0 H GLU A 54 -7.454 7.635 -7.061 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.060 4.921 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.360 6.628 -8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.355 5.225 -8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.178 4.517 -9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.457 3.800 -7.942 1.00 0.00 H new ATOM 804 N ILE A 55 -4.999 5.213 -4.641 1.00 0.00 N ATOM 805 CA ILE A 55 -3.734 5.377 -3.870 1.00 0.00 C ATOM 806 C ILE A 55 -2.602 4.571 -4.515 1.00 0.00 C ATOM 807 O ILE A 55 -2.383 3.420 -4.187 1.00 0.00 O ATOM 808 CB ILE A 55 -4.057 4.843 -2.474 1.00 0.00 C ATOM 809 CG1 ILE A 55 -5.070 5.770 -1.800 1.00 0.00 C ATOM 810 CG2 ILE A 55 -2.781 4.787 -1.629 1.00 0.00 C ATOM 811 CD1 ILE A 55 -4.486 7.181 -1.702 1.00 0.00 C ATOM 0 H ILE A 55 -5.600 4.449 -4.333 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.396 6.413 -3.843 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.474 3.840 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.998 5.788 -2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.315 5.397 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.019 4.406 -0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.057 4.128 -2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.358 5.788 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.208 7.841 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.570 7.155 -1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.264 7.553 -2.702 1.00 0.00 H new ATOM 823 N ASN A 56 -1.878 5.173 -5.421 1.00 0.00 N ATOM 824 CA ASN A 56 -0.750 4.457 -6.083 1.00 0.00 C ATOM 825 C ASN A 56 0.423 4.316 -5.113 1.00 0.00 C ATOM 826 O ASN A 56 0.821 5.262 -4.463 1.00 0.00 O ATOM 827 CB ASN A 56 -0.361 5.342 -7.269 1.00 0.00 C ATOM 828 CG ASN A 56 0.101 6.708 -6.759 1.00 0.00 C ATOM 829 OD1 ASN A 56 -0.708 7.556 -6.440 1.00 0.00 O ATOM 830 ND2 ASN A 56 1.379 6.959 -6.669 1.00 0.00 N ATOM 0 H ASN A 56 -2.021 6.134 -5.732 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.026 3.451 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.435 4.869 -7.843 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.211 5.462 -7.941 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.698 7.867 -6.331 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.059 6.247 -6.937 1.00 0.00 H new ATOM 837 N ALA A 57 0.979 3.138 -5.010 1.00 0.00 N ATOM 838 CA ALA A 57 2.132 2.925 -4.080 1.00 0.00 C ATOM 839 C ALA A 57 3.178 4.040 -4.248 1.00 0.00 C ATOM 840 O ALA A 57 3.343 4.571 -5.329 1.00 0.00 O ATOM 841 CB ALA A 57 2.722 1.574 -4.486 1.00 0.00 C ATOM 0 H ALA A 57 0.685 2.311 -5.530 1.00 0.00 H new ATOM 0 HA ALA A 57 1.822 2.942 -3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.576 1.344 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.965 0.798 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.046 1.616 -5.526 1.00 0.00 H new ATOM 847 N PRO A 58 3.851 4.365 -3.170 1.00 0.00 N ATOM 848 CA PRO A 58 4.881 5.433 -3.214 1.00 0.00 C ATOM 849 C PRO A 58 6.130 4.948 -3.954 1.00 0.00 C ATOM 850 O PRO A 58 6.732 5.677 -4.717 1.00 0.00 O ATOM 851 CB PRO A 58 5.187 5.699 -1.743 1.00 0.00 C ATOM 852 CG PRO A 58 4.824 4.434 -1.034 1.00 0.00 C ATOM 853 CD PRO A 58 3.721 3.779 -1.827 1.00 0.00 C ATOM 0 HA PRO A 58 4.547 6.326 -3.742 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.239 5.944 -1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.608 6.542 -1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.688 3.774 -0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.494 4.644 -0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.837 2.695 -1.852 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.742 3.985 -1.395 1.00 0.00 H new ATOM 861 N THR A 59 6.526 3.724 -3.736 1.00 0.00 N ATOM 862 CA THR A 59 7.737 3.201 -4.430 1.00 0.00 C ATOM 863 C THR A 59 7.682 1.673 -4.513 1.00 0.00 C ATOM 864 O THR A 59 7.062 1.019 -3.697 1.00 0.00 O ATOM 865 CB THR A 59 8.915 3.649 -3.564 1.00 0.00 C ATOM 866 OG1 THR A 59 8.967 5.068 -3.536 1.00 0.00 O ATOM 867 CG2 THR A 59 10.217 3.098 -4.148 1.00 0.00 C ATOM 0 H THR A 59 6.065 3.065 -3.109 1.00 0.00 H new ATOM 0 HA THR A 59 7.819 3.571 -5.452 1.00 0.00 H new ATOM 0 HB THR A 59 8.787 3.271 -2.550 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.385 5.431 -4.236 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.057 3.417 -3.531 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.175 2.009 -4.168 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.349 3.474 -5.162 1.00 0.00 H new ATOM 875 N ASP A 60 8.324 1.101 -5.493 1.00 0.00 N ATOM 876 CA ASP A 60 8.310 -0.383 -5.631 1.00 0.00 C ATOM 877 C ASP A 60 8.813 -1.039 -4.342 1.00 0.00 C ATOM 878 O ASP A 60 9.738 -0.564 -3.713 1.00 0.00 O ATOM 879 CB ASP A 60 9.261 -0.681 -6.792 1.00 0.00 C ATOM 880 CG ASP A 60 9.416 -2.194 -6.953 1.00 0.00 C ATOM 881 OD1 ASP A 60 8.412 -2.855 -7.163 1.00 0.00 O ATOM 882 OD2 ASP A 60 10.537 -2.667 -6.864 1.00 0.00 O ATOM 0 H ASP A 60 8.859 1.597 -6.206 1.00 0.00 H new ATOM 0 HA ASP A 60 7.308 -0.772 -5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.874 -0.245 -7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.233 -0.223 -6.606 1.00 0.00 H new ATOM 887 N GLY A 61 8.212 -2.126 -3.944 1.00 0.00 N ATOM 888 CA GLY A 61 8.658 -2.811 -2.695 1.00 0.00 C ATOM 889 C GLY A 61 7.633 -3.873 -2.294 1.00 0.00 C ATOM 890 O GLY A 61 6.610 -4.036 -2.929 1.00 0.00 O ATOM 0 H GLY A 61 7.432 -2.570 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.633 -3.273 -2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.775 -2.083 -1.892 1.00 0.00 H new ATOM 894 N LYS A 62 7.899 -4.597 -1.239 1.00 0.00 N ATOM 895 CA LYS A 62 6.939 -5.649 -0.794 1.00 0.00 C ATOM 896 C LYS A 62 6.273 -5.230 0.519 1.00 0.00 C ATOM 897 O LYS A 62 6.896 -4.644 1.381 1.00 0.00 O ATOM 898 CB LYS A 62 7.793 -6.901 -0.588 1.00 0.00 C ATOM 899 CG LYS A 62 6.898 -8.059 -0.137 1.00 0.00 C ATOM 900 CD LYS A 62 7.439 -8.654 1.166 1.00 0.00 C ATOM 901 CE LYS A 62 7.791 -10.128 0.949 1.00 0.00 C ATOM 902 NZ LYS A 62 6.539 -10.874 1.259 1.00 0.00 N ATOM 0 H LYS A 62 8.738 -4.505 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 62 6.141 -5.816 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.305 -7.162 -1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.564 -6.710 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.877 -7.706 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.862 -8.826 -0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.321 -8.103 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.695 -8.560 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.115 -10.310 -0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.607 -10.439 1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.716 -11.896 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.231 -10.648 2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.796 -10.600 0.585 1.00 0.00 H new ATOM 916 N VAL A 63 5.011 -5.525 0.678 1.00 0.00 N ATOM 917 CA VAL A 63 4.313 -5.141 1.940 1.00 0.00 C ATOM 918 C VAL A 63 4.796 -6.018 3.096 1.00 0.00 C ATOM 919 O VAL A 63 4.816 -7.230 3.005 1.00 0.00 O ATOM 920 CB VAL A 63 2.823 -5.374 1.653 1.00 0.00 C ATOM 921 CG1 VAL A 63 2.017 -5.327 2.959 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.316 -4.277 0.719 1.00 0.00 C ATOM 0 H VAL A 63 4.435 -6.013 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 63 4.509 -4.109 2.231 1.00 0.00 H new ATOM 0 HB VAL A 63 2.699 -6.353 1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.962 -5.494 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.375 -6.103 3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.141 -4.351 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.258 -4.437 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.450 -3.305 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.878 -4.306 -0.215 1.00 0.00 H new ATOM 932 N GLU A 64 5.175 -5.413 4.187 1.00 0.00 N ATOM 933 CA GLU A 64 5.645 -6.209 5.353 1.00 0.00 C ATOM 934 C GLU A 64 4.503 -6.408 6.359 1.00 0.00 C ATOM 935 O GLU A 64 4.639 -7.132 7.325 1.00 0.00 O ATOM 936 CB GLU A 64 6.768 -5.376 5.974 1.00 0.00 C ATOM 937 CG GLU A 64 7.888 -5.186 4.949 1.00 0.00 C ATOM 938 CD GLU A 64 9.000 -6.204 5.213 1.00 0.00 C ATOM 939 OE1 GLU A 64 8.722 -7.389 5.135 1.00 0.00 O ATOM 940 OE2 GLU A 64 10.111 -5.780 5.488 1.00 0.00 O ATOM 0 H GLU A 64 5.179 -4.402 4.321 1.00 0.00 H new ATOM 0 HA GLU A 64 5.986 -7.203 5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.383 -4.407 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.155 -5.873 6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.497 -5.313 3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.285 -4.173 5.012 1.00 0.00 H new ATOM 947 N LYS A 65 3.377 -5.773 6.142 1.00 0.00 N ATOM 948 CA LYS A 65 2.240 -5.937 7.094 1.00 0.00 C ATOM 949 C LYS A 65 1.000 -5.207 6.568 1.00 0.00 C ATOM 950 O LYS A 65 1.098 -4.194 5.905 1.00 0.00 O ATOM 951 CB LYS A 65 2.720 -5.301 8.400 1.00 0.00 C ATOM 952 CG LYS A 65 1.674 -5.531 9.495 1.00 0.00 C ATOM 953 CD LYS A 65 2.079 -4.763 10.755 1.00 0.00 C ATOM 954 CE LYS A 65 0.824 -4.225 11.450 1.00 0.00 C ATOM 955 NZ LYS A 65 1.295 -3.047 12.230 1.00 0.00 N ATOM 0 H LYS A 65 3.199 -5.153 5.352 1.00 0.00 H new ATOM 0 HA LYS A 65 1.962 -6.982 7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.675 -5.734 8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.884 -4.233 8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.694 -5.199 9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.591 -6.595 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.630 -5.417 11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.744 -3.940 10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.062 -3.940 10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.379 -4.978 12.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.492 -2.622 12.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.015 -3.350 12.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.708 -2.345 11.583 1.00 0.00 H new ATOM 969 N VAL A 66 -0.167 -5.715 6.860 1.00 0.00 N ATOM 970 CA VAL A 66 -1.411 -5.049 6.378 1.00 0.00 C ATOM 971 C VAL A 66 -2.100 -4.317 7.532 1.00 0.00 C ATOM 972 O VAL A 66 -2.086 -4.764 8.662 1.00 0.00 O ATOM 973 CB VAL A 66 -2.293 -6.185 5.857 1.00 0.00 C ATOM 974 CG1 VAL A 66 -2.549 -7.191 6.982 1.00 0.00 C ATOM 975 CG2 VAL A 66 -3.626 -5.615 5.370 1.00 0.00 C ATOM 0 H VAL A 66 -0.313 -6.561 7.411 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.210 -4.305 5.607 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.788 -6.685 5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.178 -8.000 6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.599 -7.599 7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.053 -6.691 7.809 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.254 -6.425 4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.131 -5.114 6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.445 -4.900 4.568 1.00 0.00 H new ATOM 985 N LEU A 67 -2.701 -3.191 7.259 1.00 0.00 N ATOM 986 CA LEU A 67 -3.389 -2.429 8.341 1.00 0.00 C ATOM 987 C LEU A 67 -4.800 -2.039 7.896 1.00 0.00 C ATOM 988 O LEU A 67 -5.773 -2.311 8.572 1.00 0.00 O ATOM 989 CB LEU A 67 -2.531 -1.183 8.554 1.00 0.00 C ATOM 990 CG LEU A 67 -1.951 -1.197 9.970 1.00 0.00 C ATOM 991 CD1 LEU A 67 -0.576 -0.526 9.964 1.00 0.00 C ATOM 992 CD2 LEU A 67 -2.885 -0.437 10.911 1.00 0.00 C ATOM 0 H LEU A 67 -2.746 -2.765 6.333 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.494 -3.013 9.256 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.726 -1.154 7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.131 -0.286 8.405 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.851 -2.227 10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.162 -0.536 10.972 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.090 -1.068 9.293 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.675 0.504 9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.472 -0.447 11.920 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.985 0.593 10.570 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.865 -0.915 10.915 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.920 -1.403 6.763 1.00 0.00 N ATOM 1005 CA VAL A 68 -6.270 -0.996 6.275 1.00 0.00 C ATOM 1006 C VAL A 68 -7.205 -2.208 6.245 1.00 0.00 C ATOM 1007 O VAL A 68 -6.883 -3.238 5.687 1.00 0.00 O ATOM 1008 CB VAL A 68 -6.034 -0.460 4.862 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -7.376 -0.112 4.215 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -5.160 0.794 4.931 1.00 0.00 C ATOM 0 H VAL A 68 -4.143 -1.147 6.154 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.738 -0.251 6.918 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.531 -1.221 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.206 0.270 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.998 -1.006 4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.881 0.648 4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.992 1.176 3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.662 1.555 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.203 0.546 5.389 1.00 0.00 H new ATOM 1020 N LYS A 69 -8.358 -2.095 6.843 1.00 0.00 N ATOM 1021 CA LYS A 69 -9.311 -3.241 6.852 1.00 0.00 C ATOM 1022 C LYS A 69 -10.078 -3.326 5.526 1.00 0.00 C ATOM 1023 O LYS A 69 -10.924 -4.180 5.351 1.00 0.00 O ATOM 1024 CB LYS A 69 -10.273 -2.945 8.002 1.00 0.00 C ATOM 1025 CG LYS A 69 -9.933 -3.837 9.197 1.00 0.00 C ATOM 1026 CD LYS A 69 -9.673 -2.965 10.425 1.00 0.00 C ATOM 1027 CE LYS A 69 -9.037 -3.811 11.529 1.00 0.00 C ATOM 1028 NZ LYS A 69 -8.307 -2.836 12.386 1.00 0.00 N ATOM 0 H LYS A 69 -8.682 -1.258 7.327 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.796 -4.194 6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.203 -1.895 8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.301 -3.121 7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.753 -4.527 9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.054 -4.442 8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.015 -2.137 10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.608 -2.530 10.779 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.794 -4.350 12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.359 -4.557 11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.843 -3.341 13.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.589 -2.343 11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.979 -2.142 12.772 1.00 0.00 H new ATOM 1042 N GLU A 70 -9.790 -2.453 4.590 1.00 0.00 N ATOM 1043 CA GLU A 70 -10.507 -2.485 3.274 1.00 0.00 C ATOM 1044 C GLU A 70 -12.007 -2.241 3.475 1.00 0.00 C ATOM 1045 O GLU A 70 -12.636 -2.835 4.328 1.00 0.00 O ATOM 1046 CB GLU A 70 -10.263 -3.890 2.706 1.00 0.00 C ATOM 1047 CG GLU A 70 -10.586 -3.901 1.211 1.00 0.00 C ATOM 1048 CD GLU A 70 -10.702 -5.348 0.726 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -9.684 -6.018 0.680 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -11.805 -5.759 0.409 1.00 0.00 O ATOM 0 H GLU A 70 -9.088 -1.718 4.680 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.147 -1.709 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.226 -4.183 2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.884 -4.618 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.518 -3.368 1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.806 -3.381 0.655 1.00 0.00 H new ATOM 1057 N ARG A 71 -12.589 -1.367 2.696 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.049 -1.087 2.847 1.00 0.00 C ATOM 1059 C ARG A 71 -14.351 -0.620 4.272 1.00 0.00 C ATOM 1060 O ARG A 71 -15.447 -0.780 4.770 1.00 0.00 O ATOM 1061 CB ARG A 71 -14.750 -2.416 2.553 1.00 0.00 C ATOM 1062 CG ARG A 71 -15.973 -2.162 1.671 1.00 0.00 C ATOM 1063 CD ARG A 71 -16.072 -3.257 0.607 1.00 0.00 C ATOM 1064 NE ARG A 71 -17.269 -4.054 0.989 1.00 0.00 N ATOM 1065 CZ ARG A 71 -17.128 -5.274 1.429 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -16.137 -5.570 2.226 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -17.978 -6.197 1.073 1.00 0.00 N ATOM 0 H ARG A 71 -12.118 -0.836 1.963 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.387 -0.298 2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.063 -3.099 2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.053 -2.894 3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.877 -2.149 2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.895 -1.184 1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.183 -2.830 -0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.174 -3.875 0.591 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.200 -3.646 0.907 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -15.473 -4.847 2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -16.027 -6.524 2.570 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.752 -5.965 0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.868 -7.151 1.417 1.00 0.00 H new ATOM 1081 N ASP A 72 -13.386 -0.040 4.930 1.00 0.00 N ATOM 1082 CA ASP A 72 -13.618 0.441 6.323 1.00 0.00 C ATOM 1083 C ASP A 72 -13.232 1.918 6.442 1.00 0.00 C ATOM 1084 O ASP A 72 -12.102 2.296 6.202 1.00 0.00 O ATOM 1085 CB ASP A 72 -12.708 -0.421 7.197 1.00 0.00 C ATOM 1086 CG ASP A 72 -13.407 -0.710 8.527 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -13.965 0.214 9.093 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -13.372 -1.852 8.956 1.00 0.00 O ATOM 0 H ASP A 72 -12.447 0.122 4.565 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.664 0.360 6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.473 -1.355 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.763 0.092 7.374 1.00 0.00 H new ATOM 1093 N ALA A 73 -14.160 2.756 6.813 1.00 0.00 N ATOM 1094 CA ALA A 73 -13.843 4.206 6.950 1.00 0.00 C ATOM 1095 C ALA A 73 -12.643 4.393 7.883 1.00 0.00 C ATOM 1096 O ALA A 73 -12.490 3.685 8.859 1.00 0.00 O ATOM 1097 CB ALA A 73 -15.101 4.828 7.557 1.00 0.00 C ATOM 0 H ALA A 73 -15.124 2.500 7.027 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.581 4.668 5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.949 5.899 7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.947 4.662 6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -15.305 4.367 8.524 1.00 0.00 H new ATOM 1103 N VAL A 74 -11.787 5.338 7.597 1.00 0.00 N ATOM 1104 CA VAL A 74 -10.600 5.555 8.476 1.00 0.00 C ATOM 1105 C VAL A 74 -10.382 7.051 8.720 1.00 0.00 C ATOM 1106 O VAL A 74 -11.017 7.889 8.111 1.00 0.00 O ATOM 1107 CB VAL A 74 -9.420 4.963 7.704 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -9.643 3.462 7.505 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -9.305 5.649 6.342 1.00 0.00 C ATOM 0 H VAL A 74 -11.857 5.967 6.797 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.724 5.090 9.454 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.500 5.121 8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.802 3.039 6.955 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.723 2.974 8.476 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.562 3.302 6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.464 5.227 5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.224 5.492 5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.145 6.718 6.485 1.00 0.00 H new ATOM 1119 N GLN A 75 -9.487 7.392 9.608 1.00 0.00 N ATOM 1120 CA GLN A 75 -9.226 8.833 9.891 1.00 0.00 C ATOM 1121 C GLN A 75 -7.814 9.213 9.436 1.00 0.00 C ATOM 1122 O GLN A 75 -7.081 8.398 8.910 1.00 0.00 O ATOM 1123 CB GLN A 75 -9.357 8.968 11.409 1.00 0.00 C ATOM 1124 CG GLN A 75 -10.557 9.860 11.741 1.00 0.00 C ATOM 1125 CD GLN A 75 -10.194 11.323 11.484 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -9.056 11.637 11.193 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -11.119 12.239 11.576 1.00 0.00 N ATOM 0 H GLN A 75 -8.925 6.735 10.150 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.917 9.491 9.363 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.485 7.985 11.862 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.446 9.396 11.827 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.415 9.575 11.132 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.847 9.724 12.783 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.074 11.977 11.820 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.887 13.217 11.404 1.00 0.00 H new ATOM 1136 N GLY A 76 -7.426 10.444 9.630 1.00 0.00 N ATOM 1137 CA GLY A 76 -6.063 10.873 9.204 1.00 0.00 C ATOM 1138 C GLY A 76 -5.093 10.742 10.379 1.00 0.00 C ATOM 1139 O GLY A 76 -5.430 11.031 11.510 1.00 0.00 O ATOM 0 H GLY A 76 -7.994 11.171 10.065 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.723 10.261 8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.088 11.905 8.854 1.00 0.00 H new ATOM 1143 N GLY A 77 -3.890 10.305 10.122 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.897 10.156 11.224 1.00 0.00 C ATOM 1145 C GLY A 77 -2.763 8.678 11.601 1.00 0.00 C ATOM 1146 O GLY A 77 -2.318 8.343 12.681 1.00 0.00 O ATOM 0 H GLY A 77 -3.552 10.045 9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.930 10.551 10.911 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.212 10.736 12.092 1.00 0.00 H new ATOM 1150 N GLN A 78 -3.144 7.791 10.721 1.00 0.00 N ATOM 1151 CA GLN A 78 -3.037 6.337 11.036 1.00 0.00 C ATOM 1152 C GLN A 78 -2.244 5.618 9.941 1.00 0.00 C ATOM 1153 O GLN A 78 -2.342 5.942 8.775 1.00 0.00 O ATOM 1154 CB GLN A 78 -4.479 5.832 11.072 1.00 0.00 C ATOM 1155 CG GLN A 78 -5.181 6.382 12.315 1.00 0.00 C ATOM 1156 CD GLN A 78 -5.644 5.220 13.197 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -6.772 4.780 13.099 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -4.814 4.700 14.059 1.00 0.00 N ATOM 0 H GLN A 78 -3.524 8.010 9.800 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.518 6.155 11.977 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.008 6.147 10.173 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.494 4.742 11.085 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.503 7.028 12.873 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.035 6.993 12.023 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.867 5.069 14.142 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.112 3.924 14.650 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.459 4.642 10.310 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.659 3.902 9.293 1.00 0.00 C ATOM 1169 C GLY A 79 -1.598 3.210 8.304 1.00 0.00 C ATOM 1170 O GLY A 79 -2.661 2.743 8.665 1.00 0.00 O ATOM 0 H GLY A 79 -1.337 4.325 11.272 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.000 4.590 8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.023 3.165 9.783 1.00 0.00 H new ATOM 1174 N LEU A 80 -1.216 3.140 7.059 1.00 0.00 N ATOM 1175 CA LEU A 80 -2.087 2.477 6.046 1.00 0.00 C ATOM 1176 C LEU A 80 -1.525 1.100 5.684 1.00 0.00 C ATOM 1177 O LEU A 80 -2.250 0.134 5.562 1.00 0.00 O ATOM 1178 CB LEU A 80 -2.055 3.404 4.830 1.00 0.00 C ATOM 1179 CG LEU A 80 -2.638 4.765 5.210 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -2.270 5.794 4.139 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -4.161 4.656 5.312 1.00 0.00 C ATOM 0 H LEU A 80 -0.338 3.513 6.698 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.101 2.319 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.031 3.521 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.627 2.967 4.011 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.231 5.080 6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.685 6.765 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.185 5.871 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.677 5.480 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.578 5.626 5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.568 4.342 4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.423 3.923 6.075 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.236 1.006 5.507 1.00 0.00 N ATOM 1194 CA ILE A 81 0.375 -0.306 5.150 1.00 0.00 C ATOM 1195 C ILE A 81 1.897 -0.235 5.295 1.00 0.00 C ATOM 1196 O ILE A 81 2.512 0.772 5.007 1.00 0.00 O ATOM 1197 CB ILE A 81 -0.012 -0.536 3.689 1.00 0.00 C ATOM 1198 CG1 ILE A 81 0.578 -1.863 3.207 1.00 0.00 C ATOM 1199 CG2 ILE A 81 0.537 0.605 2.831 1.00 0.00 C ATOM 1200 CD1 ILE A 81 -0.408 -2.997 3.497 1.00 0.00 C ATOM 0 H ILE A 81 0.421 1.781 5.594 1.00 0.00 H new ATOM 0 HA ILE A 81 0.030 -1.113 5.796 1.00 0.00 H new ATOM 0 HB ILE A 81 -1.098 -0.568 3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.787 -1.813 2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.527 -2.055 3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.262 0.442 1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.118 1.551 3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.623 0.636 2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.013 -3.942 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.595 -3.052 4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.346 -2.806 2.975 1.00 0.00 H new ATOM 1212 N LYS A 82 2.511 -1.298 5.738 1.00 0.00 N ATOM 1213 CA LYS A 82 3.991 -1.290 5.898 1.00 0.00 C ATOM 1214 C LYS A 82 4.660 -1.821 4.628 1.00 0.00 C ATOM 1215 O LYS A 82 4.123 -2.666 3.940 1.00 0.00 O ATOM 1216 CB LYS A 82 4.268 -2.218 7.081 1.00 0.00 C ATOM 1217 CG LYS A 82 5.736 -2.096 7.497 1.00 0.00 C ATOM 1218 CD LYS A 82 6.044 -3.120 8.590 1.00 0.00 C ATOM 1219 CE LYS A 82 6.629 -2.405 9.810 1.00 0.00 C ATOM 1220 NZ LYS A 82 8.102 -2.604 9.703 1.00 0.00 N ATOM 0 H LYS A 82 2.051 -2.171 5.996 1.00 0.00 H new ATOM 0 HA LYS A 82 4.384 -0.288 6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.620 -1.960 7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.041 -3.249 6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.384 -2.261 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.939 -1.089 7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.136 -3.654 8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.749 -3.863 8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.372 -1.346 9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.240 -2.825 10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.574 -2.141 10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.317 -3.622 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.445 -2.188 8.813 1.00 0.00 H new ATOM 1234 N ILE A 83 5.826 -1.330 4.311 1.00 0.00 N ATOM 1235 CA ILE A 83 6.527 -1.806 3.084 1.00 0.00 C ATOM 1236 C ILE A 83 7.995 -2.104 3.396 1.00 0.00 C ATOM 1237 O ILE A 83 8.548 -1.611 4.359 1.00 0.00 O ATOM 1238 CB ILE A 83 6.413 -0.651 2.088 1.00 0.00 C ATOM 1239 CG1 ILE A 83 6.981 0.623 2.719 1.00 0.00 C ATOM 1240 CG2 ILE A 83 4.943 -0.429 1.726 1.00 0.00 C ATOM 1241 CD1 ILE A 83 6.928 1.765 1.701 1.00 0.00 C ATOM 0 H ILE A 83 6.324 -0.620 4.848 1.00 0.00 H new ATOM 0 HA ILE A 83 6.093 -2.726 2.691 1.00 0.00 H new ATOM 0 HB ILE A 83 6.975 -0.893 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.409 0.887 3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 83 8.009 0.455 3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.863 0.394 1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.538 -1.336 1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.379 -0.187 2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.332 2.672 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 83 7.520 1.499 0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.894 1.938 1.402 1.00 0.00 H new ATOM 1253 N GLY A 84 8.632 -2.907 2.589 1.00 0.00 N ATOM 1254 CA GLY A 84 10.063 -3.237 2.839 1.00 0.00 C ATOM 1255 C GLY A 84 10.952 -2.166 2.203 1.00 0.00 C ATOM 1256 O GLY A 84 10.428 -1.358 1.454 1.00 0.00 O ATOM 1257 OXT GLY A 84 12.140 -2.172 2.477 1.00 0.00 O ATOM 0 H GLY A 84 8.223 -3.349 1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.253 -3.293 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.300 -4.216 2.422 1.00 0.00 H new