USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=8 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 180:sc= 0 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+ -166:sc= -0.779 (180deg=-1.69) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 160:sc= 0.0487 USER MOD Single : A 53 THR OG1 : rot 37:sc= 0.469 USER MOD Single : A 56 ASN : amide:sc= -0.837 K(o=-0.84,f=-7!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.357 K(o=-0.36,f=-2.4!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.101) USER MOD ----------------------------------------------------------------- ATOM 189 N ALA A 13 1.403 4.500 14.451 1.00 0.00 N ATOM 190 CA ALA A 13 1.924 4.218 13.084 1.00 0.00 C ATOM 191 C ALA A 13 3.388 3.775 13.159 1.00 0.00 C ATOM 192 O ALA A 13 3.908 3.495 14.220 1.00 0.00 O ATOM 193 CB ALA A 13 1.805 5.544 12.334 1.00 0.00 C ATOM 0 HA ALA A 13 1.374 3.418 12.588 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.170 5.419 11.315 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.761 5.856 12.310 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.399 6.304 12.842 1.00 0.00 H new ATOM 199 N GLY A 14 4.055 3.710 12.039 1.00 0.00 N ATOM 200 CA GLY A 14 5.484 3.284 12.048 1.00 0.00 C ATOM 201 C GLY A 14 6.261 4.085 11.002 1.00 0.00 C ATOM 202 O GLY A 14 5.697 4.618 10.068 1.00 0.00 O ATOM 0 H GLY A 14 3.673 3.933 11.120 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.915 3.442 13.037 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.558 2.218 11.834 1.00 0.00 H new ATOM 206 N GLU A 15 7.554 4.173 11.154 1.00 0.00 N ATOM 207 CA GLU A 15 8.371 4.940 10.169 1.00 0.00 C ATOM 208 C GLU A 15 8.200 4.352 8.766 1.00 0.00 C ATOM 209 O GLU A 15 8.327 5.042 7.774 1.00 0.00 O ATOM 210 CB GLU A 15 9.816 4.780 10.644 1.00 0.00 C ATOM 211 CG GLU A 15 10.188 3.296 10.659 1.00 0.00 C ATOM 212 CD GLU A 15 11.316 3.062 11.666 1.00 0.00 C ATOM 213 OE1 GLU A 15 11.108 3.345 12.834 1.00 0.00 O ATOM 214 OE2 GLU A 15 12.368 2.604 11.251 1.00 0.00 O ATOM 0 H GLU A 15 8.081 3.748 11.917 1.00 0.00 H new ATOM 0 HA GLU A 15 8.073 5.987 10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.489 5.328 9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.931 5.205 11.641 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.318 2.695 10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.502 2.979 9.665 1.00 0.00 H new ATOM 221 N GLY A 16 7.915 3.083 8.676 1.00 0.00 N ATOM 222 CA GLY A 16 7.737 2.453 7.337 1.00 0.00 C ATOM 223 C GLY A 16 6.261 2.505 6.940 1.00 0.00 C ATOM 224 O GLY A 16 5.920 2.464 5.775 1.00 0.00 O ATOM 0 H GLY A 16 7.798 2.455 9.471 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.342 2.974 6.595 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.082 1.419 7.361 1.00 0.00 H new ATOM 228 N GLU A 17 5.382 2.592 7.901 1.00 0.00 N ATOM 229 CA GLU A 17 3.926 2.644 7.578 1.00 0.00 C ATOM 230 C GLU A 17 3.520 4.061 7.161 1.00 0.00 C ATOM 231 O GLU A 17 4.098 5.037 7.594 1.00 0.00 O ATOM 232 CB GLU A 17 3.220 2.249 8.876 1.00 0.00 C ATOM 233 CG GLU A 17 3.134 0.725 8.969 1.00 0.00 C ATOM 234 CD GLU A 17 3.304 0.293 10.427 1.00 0.00 C ATOM 235 OE1 GLU A 17 4.409 0.406 10.932 1.00 0.00 O ATOM 236 OE2 GLU A 17 2.327 -0.143 11.012 1.00 0.00 O ATOM 0 H GLU A 17 5.608 2.629 8.895 1.00 0.00 H new ATOM 0 HA GLU A 17 3.666 1.984 6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.764 2.646 9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.220 2.682 8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.174 0.380 8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.907 0.268 8.351 1.00 0.00 H new ATOM 243 N ILE A 18 2.526 4.177 6.323 1.00 0.00 N ATOM 244 CA ILE A 18 2.075 5.527 5.878 1.00 0.00 C ATOM 245 C ILE A 18 0.641 5.784 6.357 1.00 0.00 C ATOM 246 O ILE A 18 -0.302 5.306 5.759 1.00 0.00 O ATOM 247 CB ILE A 18 2.130 5.479 4.352 1.00 0.00 C ATOM 248 CG1 ILE A 18 3.552 5.133 3.904 1.00 0.00 C ATOM 249 CG2 ILE A 18 1.736 6.843 3.783 1.00 0.00 C ATOM 250 CD1 ILE A 18 3.599 3.678 3.432 1.00 0.00 C ATOM 0 H ILE A 18 2.006 3.394 5.927 1.00 0.00 H new ATOM 0 HA ILE A 18 2.696 6.327 6.282 1.00 0.00 H new ATOM 0 HB ILE A 18 1.438 4.720 3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.863 5.798 3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.250 5.282 4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.775 6.808 2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.724 7.092 4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.428 7.603 4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.612 3.432 3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.306 3.020 4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.913 3.544 2.596 1.00 0.00 H new ATOM 262 N PRO A 19 0.520 6.528 7.430 1.00 0.00 N ATOM 263 CA PRO A 19 -0.821 6.836 7.990 1.00 0.00 C ATOM 264 C PRO A 19 -1.570 7.833 7.101 1.00 0.00 C ATOM 265 O PRO A 19 -0.991 8.482 6.252 1.00 0.00 O ATOM 266 CB PRO A 19 -0.510 7.451 9.351 1.00 0.00 C ATOM 267 CG PRO A 19 0.873 8.004 9.219 1.00 0.00 C ATOM 268 CD PRO A 19 1.598 7.146 8.214 1.00 0.00 C ATOM 0 HA PRO A 19 -1.462 5.957 8.058 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.226 8.234 9.603 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.562 6.704 10.143 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.843 9.042 8.889 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.387 7.990 10.180 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.259 7.741 7.584 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.217 6.394 8.704 1.00 0.00 H new ATOM 276 N ALA A 20 -2.856 7.960 7.294 1.00 0.00 N ATOM 277 CA ALA A 20 -3.648 8.914 6.467 1.00 0.00 C ATOM 278 C ALA A 20 -3.291 10.359 6.846 1.00 0.00 C ATOM 279 O ALA A 20 -3.466 10.755 7.982 1.00 0.00 O ATOM 280 CB ALA A 20 -5.108 8.616 6.813 1.00 0.00 C ATOM 0 H ALA A 20 -3.392 7.443 7.990 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.450 8.804 5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.759 9.279 6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.337 7.580 6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.269 8.777 7.879 1.00 0.00 H new ATOM 286 N PRO A 21 -2.797 11.107 5.887 1.00 0.00 N ATOM 287 CA PRO A 21 -2.415 12.516 6.154 1.00 0.00 C ATOM 288 C PRO A 21 -3.654 13.418 6.246 1.00 0.00 C ATOM 289 O PRO A 21 -3.545 14.609 6.461 1.00 0.00 O ATOM 290 CB PRO A 21 -1.563 12.891 4.946 1.00 0.00 C ATOM 291 CG PRO A 21 -2.011 11.979 3.848 1.00 0.00 C ATOM 292 CD PRO A 21 -2.545 10.725 4.491 1.00 0.00 C ATOM 0 HA PRO A 21 -1.890 12.637 7.101 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.707 13.936 4.672 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.502 12.760 5.157 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.781 12.457 3.242 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.181 11.745 3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.458 10.385 4.001 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.826 9.908 4.426 1.00 0.00 H new ATOM 300 N LEU A 22 -4.832 12.870 6.088 1.00 0.00 N ATOM 301 CA LEU A 22 -6.057 13.716 6.172 1.00 0.00 C ATOM 302 C LEU A 22 -7.311 12.840 6.167 1.00 0.00 C ATOM 303 O LEU A 22 -8.164 12.962 5.310 1.00 0.00 O ATOM 304 CB LEU A 22 -6.013 14.600 4.925 1.00 0.00 C ATOM 305 CG LEU A 22 -6.181 16.064 5.331 1.00 0.00 C ATOM 306 CD1 LEU A 22 -6.048 16.954 4.094 1.00 0.00 C ATOM 307 CD2 LEU A 22 -7.562 16.263 5.959 1.00 0.00 C ATOM 0 H LEU A 22 -4.997 11.880 5.906 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.089 14.305 7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.066 14.463 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.804 14.310 4.233 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.411 16.332 6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.168 17.998 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.064 16.811 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.817 16.687 3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.683 17.307 6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.332 15.996 5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.656 15.628 6.840 1.00 0.00 H new ATOM 319 N ALA A 23 -7.431 11.957 7.121 1.00 0.00 N ATOM 320 CA ALA A 23 -8.630 11.071 7.179 1.00 0.00 C ATOM 321 C ALA A 23 -8.880 10.414 5.818 1.00 0.00 C ATOM 322 O ALA A 23 -8.047 10.457 4.935 1.00 0.00 O ATOM 323 CB ALA A 23 -9.788 11.998 7.547 1.00 0.00 C ATOM 0 H ALA A 23 -6.749 11.810 7.865 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.507 10.262 7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.710 11.421 7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.587 12.467 8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.894 12.769 6.784 1.00 0.00 H new ATOM 329 N GLY A 24 -10.022 9.807 5.643 1.00 0.00 N ATOM 330 CA GLY A 24 -10.323 9.150 4.340 1.00 0.00 C ATOM 331 C GLY A 24 -11.207 7.925 4.575 1.00 0.00 C ATOM 332 O GLY A 24 -11.229 7.359 5.651 1.00 0.00 O ATOM 0 H GLY A 24 -10.759 9.738 6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.826 9.852 3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.397 8.853 3.848 1.00 0.00 H new ATOM 336 N THR A 25 -11.938 7.510 3.578 1.00 0.00 N ATOM 337 CA THR A 25 -12.823 6.321 3.745 1.00 0.00 C ATOM 338 C THR A 25 -12.201 5.096 3.066 1.00 0.00 C ATOM 339 O THR A 25 -12.158 5.001 1.855 1.00 0.00 O ATOM 340 CB THR A 25 -14.135 6.706 3.058 1.00 0.00 C ATOM 341 OG1 THR A 25 -14.674 7.863 3.681 1.00 0.00 O ATOM 342 CG2 THR A 25 -15.132 5.550 3.173 1.00 0.00 C ATOM 0 H THR A 25 -11.962 7.942 2.654 1.00 0.00 H new ATOM 0 HA THR A 25 -12.971 6.061 4.793 1.00 0.00 H new ATOM 0 HB THR A 25 -13.945 6.916 2.005 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.513 8.111 3.240 1.00 0.00 H new ATOM 0 HG21 THR A 25 -16.066 5.825 2.683 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.718 4.663 2.693 1.00 0.00 H new ATOM 0 HG23 THR A 25 -15.323 5.337 4.225 1.00 0.00 H new ATOM 350 N VAL A 26 -11.721 4.156 3.836 1.00 0.00 N ATOM 351 CA VAL A 26 -11.107 2.938 3.231 1.00 0.00 C ATOM 352 C VAL A 26 -12.199 2.053 2.629 1.00 0.00 C ATOM 353 O VAL A 26 -13.141 1.675 3.296 1.00 0.00 O ATOM 354 CB VAL A 26 -10.412 2.216 4.389 1.00 0.00 C ATOM 355 CG1 VAL A 26 -9.667 0.993 3.853 1.00 0.00 C ATOM 356 CG2 VAL A 26 -9.416 3.160 5.067 1.00 0.00 C ATOM 0 H VAL A 26 -11.727 4.179 4.856 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.407 3.182 2.431 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.161 1.900 5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.172 0.479 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.375 0.316 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.922 1.312 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.925 2.641 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.668 3.481 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.945 4.032 5.452 1.00 0.00 H new ATOM 366 N SER A 27 -12.085 1.718 1.374 1.00 0.00 N ATOM 367 CA SER A 27 -13.128 0.861 0.742 1.00 0.00 C ATOM 368 C SER A 27 -12.546 -0.502 0.362 1.00 0.00 C ATOM 369 O SER A 27 -13.139 -1.532 0.620 1.00 0.00 O ATOM 370 CB SER A 27 -13.563 1.624 -0.508 1.00 0.00 C ATOM 371 OG SER A 27 -14.952 1.918 -0.420 1.00 0.00 O ATOM 0 H SER A 27 -11.319 1.998 0.761 1.00 0.00 H new ATOM 0 HA SER A 27 -13.963 0.668 1.416 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.990 2.546 -0.603 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.361 1.030 -1.399 1.00 0.00 H new ATOM 0 HG SER A 27 -15.234 2.409 -1.220 1.00 0.00 H new ATOM 377 N LYS A 28 -11.395 -0.523 -0.252 1.00 0.00 N ATOM 378 CA LYS A 28 -10.790 -1.827 -0.645 1.00 0.00 C ATOM 379 C LYS A 28 -9.309 -1.641 -0.979 1.00 0.00 C ATOM 380 O LYS A 28 -8.883 -0.576 -1.380 1.00 0.00 O ATOM 381 CB LYS A 28 -11.570 -2.265 -1.885 1.00 0.00 C ATOM 382 CG LYS A 28 -11.799 -3.777 -1.839 1.00 0.00 C ATOM 383 CD LYS A 28 -12.388 -4.246 -3.171 1.00 0.00 C ATOM 384 CE LYS A 28 -13.582 -5.167 -2.907 1.00 0.00 C ATOM 385 NZ LYS A 28 -13.115 -6.526 -3.302 1.00 0.00 N ATOM 0 H LYS A 28 -10.849 0.303 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.844 -2.567 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.526 -1.743 -1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.019 -1.998 -2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.858 -4.292 -1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.475 -4.028 -1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.702 -3.387 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.630 -4.773 -3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.877 -5.140 -1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.451 -4.863 -3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.880 -7.214 -3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.848 -6.523 -4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.291 -6.791 -2.725 1.00 0.00 H new ATOM 399 N ILE A 29 -8.518 -2.665 -0.813 1.00 0.00 N ATOM 400 CA ILE A 29 -7.065 -2.538 -1.120 1.00 0.00 C ATOM 401 C ILE A 29 -6.673 -3.516 -2.234 1.00 0.00 C ATOM 402 O ILE A 29 -7.058 -4.669 -2.223 1.00 0.00 O ATOM 403 CB ILE A 29 -6.338 -2.876 0.193 1.00 0.00 C ATOM 404 CG1 ILE A 29 -6.496 -4.367 0.512 1.00 0.00 C ATOM 405 CG2 ILE A 29 -6.927 -2.051 1.341 1.00 0.00 C ATOM 406 CD1 ILE A 29 -5.750 -4.691 1.808 1.00 0.00 C ATOM 0 H ILE A 29 -8.814 -3.582 -0.479 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.804 -1.540 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.280 -2.640 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.552 -4.618 0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.103 -4.969 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.408 -2.295 2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.806 -0.989 1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.987 -2.281 1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.861 -5.751 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.693 -4.455 1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.164 -4.099 2.624 1.00 0.00 H new ATOM 418 N LEU A 30 -5.909 -3.067 -3.191 1.00 0.00 N ATOM 419 CA LEU A 30 -5.492 -3.978 -4.295 1.00 0.00 C ATOM 420 C LEU A 30 -4.149 -4.641 -3.965 1.00 0.00 C ATOM 421 O LEU A 30 -3.656 -5.465 -4.710 1.00 0.00 O ATOM 422 CB LEU A 30 -5.359 -3.076 -5.522 1.00 0.00 C ATOM 423 CG LEU A 30 -6.736 -2.877 -6.163 1.00 0.00 C ATOM 424 CD1 LEU A 30 -7.491 -1.777 -5.415 1.00 0.00 C ATOM 425 CD2 LEU A 30 -6.566 -2.475 -7.629 1.00 0.00 C ATOM 0 H LEU A 30 -5.556 -2.112 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.208 -4.784 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.938 -2.113 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.672 -3.522 -6.242 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.300 -3.808 -6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.471 -1.634 -5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.614 -2.065 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.926 -0.846 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.547 -2.334 -8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.001 -1.545 -7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.029 -3.260 -8.162 1.00 0.00 H new ATOM 437 N VAL A 31 -3.549 -4.291 -2.856 1.00 0.00 N ATOM 438 CA VAL A 31 -2.241 -4.907 -2.490 1.00 0.00 C ATOM 439 C VAL A 31 -2.457 -6.119 -1.578 1.00 0.00 C ATOM 440 O VAL A 31 -3.421 -6.190 -0.840 1.00 0.00 O ATOM 441 CB VAL A 31 -1.467 -3.806 -1.756 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.161 -3.467 -0.430 1.00 0.00 C ATOM 443 CG2 VAL A 31 -0.045 -4.291 -1.471 1.00 0.00 C ATOM 0 H VAL A 31 -3.908 -3.607 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.699 -5.266 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.437 -2.914 -2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.603 -2.684 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.175 -3.119 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.199 -4.357 0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.508 -3.510 -0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.083 -5.186 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.455 -4.523 -2.411 1.00 0.00 H new ATOM 453 N LYS A 32 -1.565 -7.071 -1.620 1.00 0.00 N ATOM 454 CA LYS A 32 -1.715 -8.275 -0.754 1.00 0.00 C ATOM 455 C LYS A 32 -0.449 -8.483 0.079 1.00 0.00 C ATOM 456 O LYS A 32 0.631 -8.083 -0.307 1.00 0.00 O ATOM 457 CB LYS A 32 -1.917 -9.438 -1.725 1.00 0.00 C ATOM 458 CG LYS A 32 -3.197 -10.193 -1.359 1.00 0.00 C ATOM 459 CD LYS A 32 -3.398 -11.362 -2.325 1.00 0.00 C ATOM 460 CE LYS A 32 -3.532 -12.665 -1.534 1.00 0.00 C ATOM 461 NZ LYS A 32 -4.897 -13.169 -1.851 1.00 0.00 N ATOM 0 H LYS A 32 -0.738 -7.067 -2.217 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.545 -8.182 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.982 -9.065 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.061 -10.112 -1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.134 -10.561 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.053 -9.520 -1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.290 -11.198 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.555 -11.427 -3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.768 -13.385 -1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.414 -12.491 -0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.064 -14.062 -1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.604 -12.466 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.978 -13.332 -2.875 1.00 0.00 H new ATOM 475 N GLU A 33 -0.571 -9.106 1.219 1.00 0.00 N ATOM 476 CA GLU A 33 0.630 -9.339 2.073 1.00 0.00 C ATOM 477 C GLU A 33 1.570 -10.340 1.398 1.00 0.00 C ATOM 478 O GLU A 33 1.154 -11.386 0.942 1.00 0.00 O ATOM 479 CB GLU A 33 0.083 -9.911 3.381 1.00 0.00 C ATOM 480 CG GLU A 33 0.945 -9.431 4.550 1.00 0.00 C ATOM 481 CD GLU A 33 0.344 -9.930 5.865 1.00 0.00 C ATOM 482 OE1 GLU A 33 -0.281 -10.978 5.849 1.00 0.00 O ATOM 483 OE2 GLU A 33 0.519 -9.257 6.867 1.00 0.00 O ATOM 0 H GLU A 33 -1.449 -9.464 1.596 1.00 0.00 H new ATOM 0 HA GLU A 33 1.204 -8.427 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.950 -9.595 3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.081 -11.000 3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.964 -9.801 4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.000 -8.342 4.553 1.00 0.00 H new ATOM 490 N GLY A 34 2.834 -10.024 1.328 1.00 0.00 N ATOM 491 CA GLY A 34 3.800 -10.955 0.679 1.00 0.00 C ATOM 492 C GLY A 34 3.788 -10.737 -0.837 1.00 0.00 C ATOM 493 O GLY A 34 4.259 -11.563 -1.594 1.00 0.00 O ATOM 0 H GLY A 34 3.240 -9.162 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.802 -10.787 1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.536 -11.987 0.910 1.00 0.00 H new ATOM 497 N ASP A 35 3.258 -9.631 -1.288 1.00 0.00 N ATOM 498 CA ASP A 35 3.222 -9.364 -2.754 1.00 0.00 C ATOM 499 C ASP A 35 4.153 -8.198 -3.096 1.00 0.00 C ATOM 500 O ASP A 35 4.489 -7.393 -2.251 1.00 0.00 O ATOM 501 CB ASP A 35 1.768 -8.995 -3.053 1.00 0.00 C ATOM 502 CG ASP A 35 1.225 -9.904 -4.156 1.00 0.00 C ATOM 503 OD1 ASP A 35 1.425 -9.580 -5.315 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.619 -10.909 -3.822 1.00 0.00 O ATOM 0 H ASP A 35 2.849 -8.902 -0.704 1.00 0.00 H new ATOM 0 HA ASP A 35 3.553 -10.221 -3.341 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.163 -9.098 -2.152 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.703 -7.952 -3.363 1.00 0.00 H new ATOM 509 N THR A 36 4.572 -8.100 -4.328 1.00 0.00 N ATOM 510 CA THR A 36 5.481 -6.985 -4.714 1.00 0.00 C ATOM 511 C THR A 36 4.719 -5.929 -5.520 1.00 0.00 C ATOM 512 O THR A 36 4.042 -6.237 -6.481 1.00 0.00 O ATOM 513 CB THR A 36 6.569 -7.637 -5.570 1.00 0.00 C ATOM 514 OG1 THR A 36 7.305 -8.557 -4.775 1.00 0.00 O ATOM 515 CG2 THR A 36 7.512 -6.559 -6.110 1.00 0.00 C ATOM 0 H THR A 36 4.325 -8.742 -5.081 1.00 0.00 H new ATOM 0 HA THR A 36 5.898 -6.475 -3.845 1.00 0.00 H new ATOM 0 HB THR A 36 6.108 -8.164 -6.405 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.002 -8.977 -5.321 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.286 -7.025 -6.719 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.947 -5.853 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.975 -6.030 -5.277 1.00 0.00 H new ATOM 523 N VAL A 37 4.826 -4.686 -5.136 1.00 0.00 N ATOM 524 CA VAL A 37 4.111 -3.608 -5.878 1.00 0.00 C ATOM 525 C VAL A 37 5.120 -2.680 -6.561 1.00 0.00 C ATOM 526 O VAL A 37 6.314 -2.799 -6.370 1.00 0.00 O ATOM 527 CB VAL A 37 3.325 -2.845 -4.809 1.00 0.00 C ATOM 528 CG1 VAL A 37 2.278 -3.769 -4.185 1.00 0.00 C ATOM 529 CG2 VAL A 37 4.286 -2.355 -3.724 1.00 0.00 C ATOM 0 H VAL A 37 5.379 -4.370 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 37 3.461 -4.005 -6.658 1.00 0.00 H new ATOM 0 HB VAL A 37 2.826 -1.991 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.719 -3.224 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.593 -4.117 -4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.774 -4.625 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.728 -1.811 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.786 -3.209 -3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.030 -1.695 -4.169 1.00 0.00 H new ATOM 539 N LYS A 38 4.649 -1.753 -7.349 1.00 0.00 N ATOM 540 CA LYS A 38 5.581 -0.815 -8.038 1.00 0.00 C ATOM 541 C LYS A 38 5.144 0.632 -7.793 1.00 0.00 C ATOM 542 O LYS A 38 3.983 0.910 -7.573 1.00 0.00 O ATOM 543 CB LYS A 38 5.477 -1.165 -9.524 1.00 0.00 C ATOM 544 CG LYS A 38 6.490 -2.261 -9.863 1.00 0.00 C ATOM 545 CD LYS A 38 6.419 -2.578 -11.358 1.00 0.00 C ATOM 546 CE LYS A 38 7.569 -1.880 -12.087 1.00 0.00 C ATOM 547 NZ LYS A 38 7.292 -0.424 -11.939 1.00 0.00 N ATOM 0 H LYS A 38 3.659 -1.604 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 38 6.604 -0.906 -7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.468 -1.503 -9.759 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.666 -0.280 -10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.496 -1.936 -9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.280 -3.158 -9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.477 -3.655 -11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.463 -2.247 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.532 -2.145 -11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.605 -2.170 -13.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.889 0.112 -12.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.290 -0.238 -12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.502 -0.128 -10.965 1.00 0.00 H new ATOM 561 N ALA A 39 6.066 1.554 -7.825 1.00 0.00 N ATOM 562 CA ALA A 39 5.702 2.980 -7.589 1.00 0.00 C ATOM 563 C ALA A 39 4.738 3.472 -8.674 1.00 0.00 C ATOM 564 O ALA A 39 5.079 3.531 -9.840 1.00 0.00 O ATOM 565 CB ALA A 39 7.024 3.744 -7.660 1.00 0.00 C ATOM 0 H ALA A 39 7.055 1.382 -8.004 1.00 0.00 H new ATOM 0 HA ALA A 39 5.199 3.122 -6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.840 4.806 -7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.702 3.370 -6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.474 3.602 -8.642 1.00 0.00 H new ATOM 571 N GLY A 40 3.540 3.828 -8.300 1.00 0.00 N ATOM 572 CA GLY A 40 2.559 4.319 -9.309 1.00 0.00 C ATOM 573 C GLY A 40 1.361 3.368 -9.369 1.00 0.00 C ATOM 574 O GLY A 40 0.272 3.750 -9.748 1.00 0.00 O ATOM 0 H GLY A 40 3.198 3.800 -7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.226 5.323 -9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.032 4.385 -10.289 1.00 0.00 H new ATOM 578 N GLN A 41 1.553 2.130 -8.999 1.00 0.00 N ATOM 579 CA GLN A 41 0.425 1.155 -9.037 1.00 0.00 C ATOM 580 C GLN A 41 -0.519 1.390 -7.854 1.00 0.00 C ATOM 581 O GLN A 41 -0.117 1.349 -6.708 1.00 0.00 O ATOM 582 CB GLN A 41 1.085 -0.220 -8.931 1.00 0.00 C ATOM 583 CG GLN A 41 0.153 -1.281 -9.520 1.00 0.00 C ATOM 584 CD GLN A 41 0.752 -2.670 -9.292 1.00 0.00 C ATOM 585 OE1 GLN A 41 1.380 -3.225 -10.172 1.00 0.00 O ATOM 586 NE2 GLN A 41 0.584 -3.260 -8.140 1.00 0.00 N ATOM 0 H GLN A 41 2.442 1.752 -8.672 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.173 1.251 -9.943 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.036 -0.220 -9.463 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.303 -0.451 -7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.830 -1.216 -9.053 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.012 -1.105 -10.586 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.057 -2.795 -7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.980 -4.186 -7.979 1.00 0.00 H new ATOM 595 N THR A 42 -1.773 1.635 -8.122 1.00 0.00 N ATOM 596 CA THR A 42 -2.744 1.873 -7.013 1.00 0.00 C ATOM 597 C THR A 42 -2.793 0.660 -6.081 1.00 0.00 C ATOM 598 O THR A 42 -3.371 -0.359 -6.401 1.00 0.00 O ATOM 599 CB THR A 42 -4.094 2.070 -7.704 1.00 0.00 C ATOM 600 OG1 THR A 42 -3.923 2.904 -8.842 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.075 2.724 -6.731 1.00 0.00 C ATOM 0 H THR A 42 -2.168 1.681 -9.061 1.00 0.00 H new ATOM 0 HA THR A 42 -2.468 2.732 -6.402 1.00 0.00 H new ATOM 0 HB THR A 42 -4.488 1.103 -8.018 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.677 2.780 -9.455 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.037 2.864 -7.224 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.204 2.083 -5.859 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.684 3.692 -6.416 1.00 0.00 H new ATOM 609 N VAL A 43 -2.192 0.763 -4.928 1.00 0.00 N ATOM 610 CA VAL A 43 -2.204 -0.381 -3.972 1.00 0.00 C ATOM 611 C VAL A 43 -3.405 -0.279 -3.024 1.00 0.00 C ATOM 612 O VAL A 43 -3.758 -1.230 -2.354 1.00 0.00 O ATOM 613 CB VAL A 43 -0.892 -0.255 -3.195 1.00 0.00 C ATOM 614 CG1 VAL A 43 0.284 -0.281 -4.174 1.00 0.00 C ATOM 615 CG2 VAL A 43 -0.882 1.065 -2.422 1.00 0.00 C ATOM 0 H VAL A 43 -1.692 1.591 -4.606 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.290 -1.341 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.802 -1.086 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.219 -0.191 -3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.277 -1.221 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.194 0.551 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.052 1.155 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.971 1.897 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.720 1.085 -1.725 1.00 0.00 H new ATOM 625 N LEU A 44 -4.035 0.864 -2.959 1.00 0.00 N ATOM 626 CA LEU A 44 -5.210 1.018 -2.051 1.00 0.00 C ATOM 627 C LEU A 44 -6.247 1.953 -2.682 1.00 0.00 C ATOM 628 O LEU A 44 -5.941 2.722 -3.572 1.00 0.00 O ATOM 629 CB LEU A 44 -4.641 1.634 -0.773 1.00 0.00 C ATOM 630 CG LEU A 44 -5.213 0.906 0.445 1.00 0.00 C ATOM 631 CD1 LEU A 44 -4.355 -0.323 0.752 1.00 0.00 C ATOM 632 CD2 LEU A 44 -5.205 1.847 1.651 1.00 0.00 C ATOM 0 H LEU A 44 -3.788 1.696 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.713 0.070 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.553 1.562 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.890 2.694 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.236 0.593 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.761 -0.843 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.359 -0.993 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.333 -0.010 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.612 1.329 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.182 2.160 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.815 2.724 1.432 1.00 0.00 H new ATOM 644 N VAL A 45 -7.473 1.894 -2.232 1.00 0.00 N ATOM 645 CA VAL A 45 -8.520 2.783 -2.812 1.00 0.00 C ATOM 646 C VAL A 45 -9.274 3.515 -1.698 1.00 0.00 C ATOM 647 O VAL A 45 -9.852 2.903 -0.820 1.00 0.00 O ATOM 648 CB VAL A 45 -9.461 1.847 -3.569 1.00 0.00 C ATOM 649 CG1 VAL A 45 -10.554 2.668 -4.253 1.00 0.00 C ATOM 650 CG2 VAL A 45 -8.670 1.072 -4.625 1.00 0.00 C ATOM 0 H VAL A 45 -7.793 1.271 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.095 3.548 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.916 1.146 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.226 2.001 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.118 3.220 -3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.099 3.369 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.341 0.404 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.214 1.772 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.890 0.486 -4.138 1.00 0.00 H new ATOM 660 N LEU A 46 -9.275 4.820 -1.727 1.00 0.00 N ATOM 661 CA LEU A 46 -9.994 5.589 -0.671 1.00 0.00 C ATOM 662 C LEU A 46 -11.179 6.343 -1.281 1.00 0.00 C ATOM 663 O LEU A 46 -11.355 6.373 -2.483 1.00 0.00 O ATOM 664 CB LEU A 46 -8.959 6.570 -0.120 1.00 0.00 C ATOM 665 CG LEU A 46 -8.360 6.007 1.169 1.00 0.00 C ATOM 666 CD1 LEU A 46 -6.963 6.594 1.381 1.00 0.00 C ATOM 667 CD2 LEU A 46 -9.257 6.379 2.352 1.00 0.00 C ATOM 0 H LEU A 46 -8.809 5.387 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.397 4.943 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.173 6.738 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.425 7.536 0.074 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.289 4.922 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.535 6.193 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.325 6.329 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.032 7.679 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.831 5.978 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.328 7.464 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.252 5.960 2.200 1.00 0.00 H new ATOM 679 N GLU A 47 -11.994 6.951 -0.462 1.00 0.00 N ATOM 680 CA GLU A 47 -13.168 7.700 -0.997 1.00 0.00 C ATOM 681 C GLU A 47 -13.360 9.010 -0.228 1.00 0.00 C ATOM 682 O GLU A 47 -13.401 9.028 0.987 1.00 0.00 O ATOM 683 CB GLU A 47 -14.361 6.770 -0.780 1.00 0.00 C ATOM 684 CG GLU A 47 -14.625 5.972 -2.058 1.00 0.00 C ATOM 685 CD GLU A 47 -16.124 5.698 -2.187 1.00 0.00 C ATOM 686 OE1 GLU A 47 -16.569 4.690 -1.662 1.00 0.00 O ATOM 687 OE2 GLU A 47 -16.801 6.499 -2.808 1.00 0.00 O ATOM 0 H GLU A 47 -11.898 6.962 0.553 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.043 7.967 -2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.161 6.092 0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.244 7.350 -0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.270 6.527 -2.926 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.073 5.032 -2.033 1.00 0.00 H new ATOM 775 N THR A 53 -10.207 7.949 -5.028 1.00 0.00 N ATOM 776 CA THR A 53 -8.830 8.351 -4.620 1.00 0.00 C ATOM 777 C THR A 53 -7.858 7.181 -4.796 1.00 0.00 C ATOM 778 O THR A 53 -7.439 6.562 -3.838 1.00 0.00 O ATOM 779 CB THR A 53 -8.950 8.731 -3.144 1.00 0.00 C ATOM 780 OG1 THR A 53 -10.032 9.637 -2.977 1.00 0.00 O ATOM 781 CG2 THR A 53 -7.652 9.392 -2.678 1.00 0.00 C ATOM 0 HA THR A 53 -8.446 9.173 -5.224 1.00 0.00 H new ATOM 0 HB THR A 53 -9.131 7.835 -2.551 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.760 9.394 -3.587 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.739 9.662 -1.626 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.823 8.696 -2.807 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.468 10.289 -3.269 1.00 0.00 H new ATOM 789 N GLU A 54 -7.491 6.877 -6.011 1.00 0.00 N ATOM 790 CA GLU A 54 -6.541 5.752 -6.240 1.00 0.00 C ATOM 791 C GLU A 54 -5.274 5.961 -5.405 1.00 0.00 C ATOM 792 O GLU A 54 -4.681 7.020 -5.419 1.00 0.00 O ATOM 793 CB GLU A 54 -6.220 5.803 -7.734 1.00 0.00 C ATOM 794 CG GLU A 54 -7.024 4.728 -8.467 1.00 0.00 C ATOM 795 CD GLU A 54 -8.107 5.392 -9.319 1.00 0.00 C ATOM 796 OE1 GLU A 54 -7.758 5.996 -10.320 1.00 0.00 O ATOM 797 OE2 GLU A 54 -9.267 5.287 -8.955 1.00 0.00 O ATOM 0 H GLU A 54 -7.807 7.358 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.958 4.788 -5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.460 6.788 -8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.153 5.646 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.364 4.133 -9.098 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.479 4.046 -7.749 1.00 0.00 H new ATOM 804 N ILE A 55 -4.861 4.964 -4.672 1.00 0.00 N ATOM 805 CA ILE A 55 -3.638 5.118 -3.831 1.00 0.00 C ATOM 806 C ILE A 55 -2.440 4.442 -4.504 1.00 0.00 C ATOM 807 O ILE A 55 -2.174 3.277 -4.295 1.00 0.00 O ATOM 808 CB ILE A 55 -3.973 4.426 -2.505 1.00 0.00 C ATOM 809 CG1 ILE A 55 -5.306 4.956 -1.959 1.00 0.00 C ATOM 810 CG2 ILE A 55 -2.864 4.707 -1.488 1.00 0.00 C ATOM 811 CD1 ILE A 55 -5.237 6.478 -1.805 1.00 0.00 C ATOM 0 H ILE A 55 -5.315 4.052 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.369 6.164 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.055 3.352 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.118 4.686 -2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.524 4.494 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.102 4.215 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.917 4.325 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.783 5.782 -1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.186 6.848 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.436 6.738 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.040 6.933 -2.775 1.00 0.00 H new ATOM 823 N ASN A 56 -1.715 5.171 -5.310 1.00 0.00 N ATOM 824 CA ASN A 56 -0.531 4.580 -5.998 1.00 0.00 C ATOM 825 C ASN A 56 0.542 4.198 -4.974 1.00 0.00 C ATOM 826 O ASN A 56 0.770 4.899 -4.008 1.00 0.00 O ATOM 827 CB ASN A 56 -0.021 5.684 -6.923 1.00 0.00 C ATOM 828 CG ASN A 56 0.413 6.892 -6.091 1.00 0.00 C ATOM 829 OD1 ASN A 56 -0.208 7.218 -5.099 1.00 0.00 O ATOM 830 ND2 ASN A 56 1.463 7.576 -6.456 1.00 0.00 N ATOM 0 H ASN A 56 -1.892 6.153 -5.522 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.782 3.672 -6.546 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.818 5.318 -7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.803 5.975 -7.624 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.761 8.383 -5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.985 7.303 -7.289 1.00 0.00 H new ATOM 837 N ALA A 57 1.202 3.092 -5.180 1.00 0.00 N ATOM 838 CA ALA A 57 2.262 2.667 -4.221 1.00 0.00 C ATOM 839 C ALA A 57 3.265 3.807 -4.002 1.00 0.00 C ATOM 840 O ALA A 57 3.477 4.619 -4.881 1.00 0.00 O ATOM 841 CB ALA A 57 2.943 1.474 -4.892 1.00 0.00 C ATOM 0 H ALA A 57 1.054 2.464 -5.970 1.00 0.00 H new ATOM 0 HA ALA A 57 1.857 2.409 -3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.739 1.100 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.211 0.684 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.365 1.786 -5.847 1.00 0.00 H new ATOM 847 N PRO A 58 3.850 3.836 -2.829 1.00 0.00 N ATOM 848 CA PRO A 58 4.837 4.896 -2.503 1.00 0.00 C ATOM 849 C PRO A 58 6.145 4.663 -3.264 1.00 0.00 C ATOM 850 O PRO A 58 6.843 5.593 -3.617 1.00 0.00 O ATOM 851 CB PRO A 58 5.049 4.741 -0.999 1.00 0.00 C ATOM 852 CG PRO A 58 4.697 3.318 -0.704 1.00 0.00 C ATOM 853 CD PRO A 58 3.655 2.902 -1.711 1.00 0.00 C ATOM 0 HA PRO A 58 4.498 5.894 -2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.080 4.958 -0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.416 5.429 -0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.578 2.680 -0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.313 3.219 0.311 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.794 1.868 -2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.649 2.977 -1.299 1.00 0.00 H new ATOM 861 N THR A 59 6.483 3.429 -3.520 1.00 0.00 N ATOM 862 CA THR A 59 7.747 3.141 -4.258 1.00 0.00 C ATOM 863 C THR A 59 7.858 1.642 -4.551 1.00 0.00 C ATOM 864 O THR A 59 7.138 0.836 -3.997 1.00 0.00 O ATOM 865 CB THR A 59 8.866 3.589 -3.315 1.00 0.00 C ATOM 866 OG1 THR A 59 10.125 3.326 -3.919 1.00 0.00 O ATOM 867 CG2 THR A 59 8.762 2.824 -1.995 1.00 0.00 C ATOM 0 H THR A 59 5.940 2.608 -3.251 1.00 0.00 H new ATOM 0 HA THR A 59 7.793 3.656 -5.218 1.00 0.00 H new ATOM 0 HB THR A 59 8.771 4.657 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.843 3.614 -3.317 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.560 3.144 -1.325 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.796 3.027 -1.532 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.856 1.755 -2.186 1.00 0.00 H new ATOM 875 N ASP A 60 8.757 1.264 -5.420 1.00 0.00 N ATOM 876 CA ASP A 60 8.913 -0.183 -5.747 1.00 0.00 C ATOM 877 C ASP A 60 9.350 -0.962 -4.504 1.00 0.00 C ATOM 878 O ASP A 60 10.356 -0.660 -3.892 1.00 0.00 O ATOM 879 CB ASP A 60 10.001 -0.232 -6.820 1.00 0.00 C ATOM 880 CG ASP A 60 9.378 -0.614 -8.164 1.00 0.00 C ATOM 881 OD1 ASP A 60 8.914 0.278 -8.855 1.00 0.00 O ATOM 882 OD2 ASP A 60 9.374 -1.793 -8.478 1.00 0.00 O ATOM 0 H ASP A 60 9.388 1.893 -5.916 1.00 0.00 H new ATOM 0 HA ASP A 60 7.981 -0.631 -6.091 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.493 0.737 -6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.767 -0.957 -6.543 1.00 0.00 H new ATOM 887 N GLY A 61 8.602 -1.961 -4.123 1.00 0.00 N ATOM 888 CA GLY A 61 8.979 -2.755 -2.918 1.00 0.00 C ATOM 889 C GLY A 61 7.887 -3.782 -2.615 1.00 0.00 C ATOM 890 O GLY A 61 6.820 -3.758 -3.196 1.00 0.00 O ATOM 0 H GLY A 61 7.748 -2.262 -4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.930 -3.260 -3.086 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.117 -2.093 -2.063 1.00 0.00 H new ATOM 894 N LYS A 62 8.146 -4.683 -1.707 1.00 0.00 N ATOM 895 CA LYS A 62 7.123 -5.712 -1.364 1.00 0.00 C ATOM 896 C LYS A 62 6.478 -5.384 -0.015 1.00 0.00 C ATOM 897 O LYS A 62 7.076 -4.751 0.831 1.00 0.00 O ATOM 898 CB LYS A 62 7.897 -7.029 -1.284 1.00 0.00 C ATOM 899 CG LYS A 62 6.921 -8.182 -1.041 1.00 0.00 C ATOM 900 CD LYS A 62 7.662 -9.345 -0.375 1.00 0.00 C ATOM 901 CE LYS A 62 8.603 -9.997 -1.389 1.00 0.00 C ATOM 902 NZ LYS A 62 9.784 -10.433 -0.592 1.00 0.00 N ATOM 0 H LYS A 62 9.021 -4.751 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 62 6.319 -5.757 -2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.449 -7.195 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.630 -6.984 -0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.099 -7.850 -0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.484 -8.508 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.228 -8.985 0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.948 -10.079 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.126 -10.843 -1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.891 -9.293 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.476 -10.891 -1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.222 -9.606 -0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.480 -11.108 0.139 1.00 0.00 H new ATOM 916 N VAL A 63 5.260 -5.807 0.191 1.00 0.00 N ATOM 917 CA VAL A 63 4.584 -5.513 1.485 1.00 0.00 C ATOM 918 C VAL A 63 5.200 -6.355 2.605 1.00 0.00 C ATOM 919 O VAL A 63 5.565 -7.498 2.413 1.00 0.00 O ATOM 920 CB VAL A 63 3.109 -5.881 1.256 1.00 0.00 C ATOM 921 CG1 VAL A 63 2.380 -6.067 2.595 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.430 -4.753 0.485 1.00 0.00 C ATOM 0 H VAL A 63 4.706 -6.341 -0.479 1.00 0.00 H new ATOM 0 HA VAL A 63 4.693 -4.471 1.787 1.00 0.00 H new ATOM 0 HB VAL A 63 3.066 -6.815 0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.338 -6.327 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.858 -6.866 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.426 -5.140 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.383 -5.005 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.493 -3.829 1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.928 -4.617 -0.475 1.00 0.00 H new ATOM 932 N GLU A 64 5.298 -5.796 3.775 1.00 0.00 N ATOM 933 CA GLU A 64 5.868 -6.553 4.921 1.00 0.00 C ATOM 934 C GLU A 64 4.789 -6.764 5.987 1.00 0.00 C ATOM 935 O GLU A 64 4.912 -7.613 6.847 1.00 0.00 O ATOM 936 CB GLU A 64 6.994 -5.672 5.460 1.00 0.00 C ATOM 937 CG GLU A 64 8.002 -5.391 4.343 1.00 0.00 C ATOM 938 CD GLU A 64 9.388 -5.165 4.951 1.00 0.00 C ATOM 939 OE1 GLU A 64 10.109 -6.137 5.107 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.705 -4.025 5.248 1.00 0.00 O ATOM 0 H GLU A 64 5.006 -4.842 3.989 1.00 0.00 H new ATOM 0 HA GLU A 64 6.233 -7.539 4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.587 -4.735 5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.489 -6.167 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.031 -6.228 3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.695 -4.513 3.774 1.00 0.00 H new ATOM 947 N LYS A 65 3.726 -5.996 5.938 1.00 0.00 N ATOM 948 CA LYS A 65 2.636 -6.153 6.950 1.00 0.00 C ATOM 949 C LYS A 65 1.529 -5.123 6.706 1.00 0.00 C ATOM 950 O LYS A 65 1.747 -3.930 6.795 1.00 0.00 O ATOM 951 CB LYS A 65 3.297 -5.904 8.310 1.00 0.00 C ATOM 952 CG LYS A 65 2.961 -7.057 9.259 1.00 0.00 C ATOM 953 CD LYS A 65 1.442 -7.162 9.415 1.00 0.00 C ATOM 954 CE LYS A 65 1.109 -7.795 10.768 1.00 0.00 C ATOM 955 NZ LYS A 65 -0.329 -8.170 10.670 1.00 0.00 N ATOM 0 H LYS A 65 3.567 -5.268 5.241 1.00 0.00 H new ATOM 0 HA LYS A 65 2.177 -7.140 6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.377 -5.819 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.948 -4.960 8.729 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.363 -7.992 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.427 -6.890 10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.989 -6.173 9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.024 -7.763 8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.733 -8.668 10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.280 -7.094 11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.634 -8.611 11.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.899 -7.318 10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.460 -8.843 9.888 1.00 0.00 H new ATOM 969 N VAL A 66 0.340 -5.571 6.407 1.00 0.00 N ATOM 970 CA VAL A 66 -0.780 -4.615 6.167 1.00 0.00 C ATOM 971 C VAL A 66 -1.669 -4.532 7.412 1.00 0.00 C ATOM 972 O VAL A 66 -2.045 -5.536 7.985 1.00 0.00 O ATOM 973 CB VAL A 66 -1.560 -5.199 4.988 1.00 0.00 C ATOM 974 CG1 VAL A 66 -2.720 -4.265 4.632 1.00 0.00 C ATOM 975 CG2 VAL A 66 -0.632 -5.342 3.780 1.00 0.00 C ATOM 0 H VAL A 66 0.095 -6.557 6.318 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.426 -3.606 5.956 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.951 -6.179 5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.277 -4.680 3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.382 -4.164 5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.328 -3.285 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.189 -5.758 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.239 -4.363 3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.194 -6.007 4.033 1.00 0.00 H new ATOM 985 N LEU A 67 -2.005 -3.345 7.842 1.00 0.00 N ATOM 986 CA LEU A 67 -2.863 -3.212 9.055 1.00 0.00 C ATOM 987 C LEU A 67 -4.206 -2.563 8.701 1.00 0.00 C ATOM 988 O LEU A 67 -5.180 -2.710 9.413 1.00 0.00 O ATOM 989 CB LEU A 67 -2.067 -2.319 10.010 1.00 0.00 C ATOM 990 CG LEU A 67 -1.895 -0.926 9.397 1.00 0.00 C ATOM 991 CD1 LEU A 67 -2.549 0.117 10.304 1.00 0.00 C ATOM 992 CD2 LEU A 67 -0.404 -0.612 9.254 1.00 0.00 C ATOM 0 H LEU A 67 -1.724 -2.466 7.408 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.094 -4.180 9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.583 -2.244 10.967 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.091 -2.762 10.208 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.369 -0.902 8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.426 1.108 9.867 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.611 -0.105 10.407 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.077 0.093 11.286 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.281 0.379 8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.069 -0.638 10.236 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.064 -1.354 8.607 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.268 -1.849 7.612 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.552 -1.196 7.225 1.00 0.00 C ATOM 1006 C VAL A 68 -6.643 -2.252 7.030 1.00 0.00 C ATOM 1007 O VAL A 68 -6.374 -3.370 6.640 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.254 -0.478 5.908 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -4.717 -1.483 4.888 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -6.538 0.155 5.370 1.00 0.00 C ATOM 0 H VAL A 68 -3.488 -1.689 6.974 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.911 -0.506 7.989 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.509 0.299 6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.505 -0.971 3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.802 -1.935 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.461 -2.261 4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.326 0.667 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.283 -0.622 5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.922 0.872 6.096 1.00 0.00 H new ATOM 1020 N LYS A 69 -7.872 -1.907 7.304 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.976 -2.895 7.136 1.00 0.00 C ATOM 1022 C LYS A 69 -10.059 -2.330 6.214 1.00 0.00 C ATOM 1023 O LYS A 69 -10.335 -1.147 6.216 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.532 -3.109 8.544 1.00 0.00 C ATOM 1025 CG LYS A 69 -8.625 -4.076 9.307 1.00 0.00 C ATOM 1026 CD LYS A 69 -9.483 -5.076 10.084 1.00 0.00 C ATOM 1027 CE LYS A 69 -9.372 -4.785 11.582 1.00 0.00 C ATOM 1028 NZ LYS A 69 -10.781 -4.685 12.058 1.00 0.00 N ATOM 0 H LYS A 69 -8.159 -0.986 7.636 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.631 -3.826 6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.593 -2.157 9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.545 -3.509 8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.972 -4.604 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.981 -3.524 9.992 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.523 -5.005 9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.154 -6.094 9.875 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.835 -5.580 12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.826 -3.859 11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.789 -4.486 13.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.265 -3.916 11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.273 -5.583 11.876 1.00 0.00 H new ATOM 1042 N GLU A 70 -10.676 -3.168 5.426 1.00 0.00 N ATOM 1043 CA GLU A 70 -11.742 -2.678 4.506 1.00 0.00 C ATOM 1044 C GLU A 70 -12.983 -2.276 5.308 1.00 0.00 C ATOM 1045 O GLU A 70 -13.969 -2.987 5.342 1.00 0.00 O ATOM 1046 CB GLU A 70 -12.052 -3.864 3.593 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.032 -3.911 2.454 1.00 0.00 C ATOM 1048 CD GLU A 70 -10.092 -5.102 2.654 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -9.519 -5.204 3.726 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -9.962 -5.889 1.732 1.00 0.00 O ATOM 0 H GLU A 70 -10.488 -4.170 5.379 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.431 -1.800 3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.020 -4.793 4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.060 -3.772 3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.545 -3.997 1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.460 -2.984 2.427 1.00 0.00 H new ATOM 1057 N ARG A 71 -12.942 -1.140 5.954 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.120 -0.684 6.757 1.00 0.00 C ATOM 1059 C ARG A 71 -13.800 0.642 7.455 1.00 0.00 C ATOM 1060 O ARG A 71 -14.592 1.562 7.449 1.00 0.00 O ATOM 1061 CB ARG A 71 -14.358 -1.785 7.797 1.00 0.00 C ATOM 1062 CG ARG A 71 -15.734 -2.415 7.569 1.00 0.00 C ATOM 1063 CD ARG A 71 -15.915 -3.606 8.513 1.00 0.00 C ATOM 1064 NE ARG A 71 -17.382 -3.859 8.532 1.00 0.00 N ATOM 1065 CZ ARG A 71 -17.926 -4.477 9.547 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -18.195 -5.751 9.465 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -18.200 -3.820 10.640 1.00 0.00 N ATOM 0 H ARG A 71 -12.143 -0.506 5.961 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.998 -0.520 6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.581 -2.546 7.721 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.299 -1.369 8.803 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.517 -1.677 7.744 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.829 -2.741 6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.368 -4.479 8.157 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.540 -3.380 9.511 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.963 -3.550 7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.981 -6.263 8.610 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.620 -6.235 10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -17.990 -2.824 10.703 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.625 -4.302 11.432 1.00 0.00 H new ATOM 1081 N ASP A 72 -12.646 0.744 8.056 1.00 0.00 N ATOM 1082 CA ASP A 72 -12.277 2.008 8.758 1.00 0.00 C ATOM 1083 C ASP A 72 -12.382 3.198 7.799 1.00 0.00 C ATOM 1084 O ASP A 72 -11.831 3.187 6.718 1.00 0.00 O ATOM 1085 CB ASP A 72 -10.829 1.805 9.203 1.00 0.00 C ATOM 1086 CG ASP A 72 -10.367 3.023 10.006 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -11.160 3.533 10.780 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -9.228 3.425 9.832 1.00 0.00 O ATOM 0 H ASP A 72 -11.942 0.007 8.092 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.937 2.220 9.599 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.747 0.903 9.810 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.187 1.664 8.334 1.00 0.00 H new ATOM 1093 N ALA A 73 -13.086 4.225 8.188 1.00 0.00 N ATOM 1094 CA ALA A 73 -13.224 5.414 7.298 1.00 0.00 C ATOM 1095 C ALA A 73 -13.163 6.704 8.120 1.00 0.00 C ATOM 1096 O ALA A 73 -13.297 6.685 9.327 1.00 0.00 O ATOM 1097 CB ALA A 73 -14.597 5.259 6.644 1.00 0.00 C ATOM 0 H ALA A 73 -13.571 4.293 9.082 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.424 5.472 6.560 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.776 6.098 5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.628 4.327 6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -15.367 5.241 7.415 1.00 0.00 H new ATOM 1103 N VAL A 74 -12.961 7.821 7.471 1.00 0.00 N ATOM 1104 CA VAL A 74 -12.890 9.123 8.202 1.00 0.00 C ATOM 1105 C VAL A 74 -11.805 9.081 9.284 1.00 0.00 C ATOM 1106 O VAL A 74 -11.331 8.030 9.664 1.00 0.00 O ATOM 1107 CB VAL A 74 -14.272 9.309 8.834 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -14.286 10.595 9.662 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -15.328 9.401 7.732 1.00 0.00 C ATOM 0 H VAL A 74 -12.841 7.888 6.460 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.633 9.946 7.535 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.493 8.459 9.480 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -15.270 10.727 10.112 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -13.533 10.530 10.448 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -14.065 11.445 9.017 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.312 9.533 8.181 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.107 10.251 7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.319 8.485 7.142 1.00 0.00 H new ATOM 1119 N GLN A 75 -11.416 10.224 9.785 1.00 0.00 N ATOM 1120 CA GLN A 75 -10.367 10.272 10.849 1.00 0.00 C ATOM 1121 C GLN A 75 -9.074 9.601 10.372 1.00 0.00 C ATOM 1122 O GLN A 75 -9.014 8.402 10.189 1.00 0.00 O ATOM 1123 CB GLN A 75 -10.962 9.510 12.036 1.00 0.00 C ATOM 1124 CG GLN A 75 -11.158 10.465 13.216 1.00 0.00 C ATOM 1125 CD GLN A 75 -10.442 9.908 14.450 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -10.144 8.732 14.513 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -10.152 10.710 15.437 1.00 0.00 N ATOM 0 H GLN A 75 -11.782 11.133 9.502 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.105 11.297 11.111 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.916 9.065 11.753 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.301 8.692 12.323 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.765 11.451 12.969 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.221 10.589 13.424 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.403 11.697 15.383 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.674 10.350 16.263 1.00 0.00 H new ATOM 1136 N GLY A 76 -8.036 10.367 10.181 1.00 0.00 N ATOM 1137 CA GLY A 76 -6.746 9.775 9.725 1.00 0.00 C ATOM 1138 C GLY A 76 -5.801 9.640 10.920 1.00 0.00 C ATOM 1139 O GLY A 76 -6.223 9.636 12.059 1.00 0.00 O ATOM 0 H GLY A 76 -8.025 11.377 10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.920 8.799 9.273 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.294 10.405 8.959 1.00 0.00 H new ATOM 1143 N GLY A 77 -4.525 9.530 10.670 1.00 0.00 N ATOM 1144 CA GLY A 77 -3.556 9.396 11.794 1.00 0.00 C ATOM 1145 C GLY A 77 -3.183 7.923 11.985 1.00 0.00 C ATOM 1146 O GLY A 77 -2.180 7.603 12.590 1.00 0.00 O ATOM 0 H GLY A 77 -4.112 9.527 9.737 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.661 9.983 11.587 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.992 9.792 12.711 1.00 0.00 H new ATOM 1150 N GLN A 78 -3.983 7.022 11.478 1.00 0.00 N ATOM 1151 CA GLN A 78 -3.668 5.573 11.636 1.00 0.00 C ATOM 1152 C GLN A 78 -2.866 5.066 10.433 1.00 0.00 C ATOM 1153 O GLN A 78 -3.146 5.406 9.301 1.00 0.00 O ATOM 1154 CB GLN A 78 -5.028 4.878 11.708 1.00 0.00 C ATOM 1155 CG GLN A 78 -5.392 4.618 13.170 1.00 0.00 C ATOM 1156 CD GLN A 78 -6.905 4.429 13.294 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -7.636 5.382 13.478 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -7.411 3.229 13.202 1.00 0.00 N ATOM 0 H GLN A 78 -4.839 7.227 10.963 1.00 0.00 H new ATOM 0 HA GLN A 78 -3.063 5.378 12.521 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.791 5.498 11.237 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.997 3.938 11.157 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.873 3.731 13.533 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.067 5.453 13.791 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.799 2.428 13.048 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.418 3.093 13.285 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.870 4.254 10.675 1.00 0.00 N ATOM 1168 CA GLY A 79 -1.045 3.720 9.553 1.00 0.00 C ATOM 1169 C GLY A 79 -1.952 3.043 8.523 1.00 0.00 C ATOM 1170 O GLY A 79 -3.150 2.948 8.703 1.00 0.00 O ATOM 0 H GLY A 79 -1.592 3.937 11.604 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.485 4.529 9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.314 3.006 9.934 1.00 0.00 H new ATOM 1174 N LEU A 80 -1.390 2.572 7.443 1.00 0.00 N ATOM 1175 CA LEU A 80 -2.221 1.897 6.403 1.00 0.00 C ATOM 1176 C LEU A 80 -1.537 0.613 5.925 1.00 0.00 C ATOM 1177 O LEU A 80 -2.027 -0.478 6.138 1.00 0.00 O ATOM 1178 CB LEU A 80 -2.328 2.910 5.263 1.00 0.00 C ATOM 1179 CG LEU A 80 -3.239 4.063 5.689 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -3.278 5.120 4.585 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -4.653 3.532 5.937 1.00 0.00 C ATOM 0 H LEU A 80 -0.393 2.625 7.235 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.201 1.607 6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.339 3.290 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.727 2.428 4.370 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.852 4.510 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.927 5.941 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.272 5.500 4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.663 4.674 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.302 4.353 6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.039 3.084 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.626 2.780 6.726 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.407 0.732 5.278 1.00 0.00 N ATOM 1194 CA ILE A 81 0.303 -0.486 4.786 1.00 0.00 C ATOM 1195 C ILE A 81 1.806 -0.374 5.062 1.00 0.00 C ATOM 1196 O ILE A 81 2.390 0.686 4.953 1.00 0.00 O ATOM 1197 CB ILE A 81 0.037 -0.518 3.281 1.00 0.00 C ATOM 1198 CG1 ILE A 81 0.518 0.791 2.652 1.00 0.00 C ATOM 1199 CG2 ILE A 81 -1.463 -0.680 3.030 1.00 0.00 C ATOM 1200 CD1 ILE A 81 0.257 0.759 1.143 1.00 0.00 C ATOM 0 H ILE A 81 0.054 1.618 5.069 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.043 -1.393 5.282 1.00 0.00 H new ATOM 0 HB ILE A 81 0.573 -1.356 2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.001 1.636 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.582 0.930 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.652 -0.703 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.809 -1.611 3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.999 0.158 3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.600 1.692 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.796 -0.077 0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.811 0.640 0.961 1.00 0.00 H new ATOM 1212 N LYS A 82 2.437 -1.462 5.417 1.00 0.00 N ATOM 1213 CA LYS A 82 3.903 -1.419 5.696 1.00 0.00 C ATOM 1214 C LYS A 82 4.685 -1.946 4.491 1.00 0.00 C ATOM 1215 O LYS A 82 4.510 -3.073 4.071 1.00 0.00 O ATOM 1216 CB LYS A 82 4.105 -2.333 6.905 1.00 0.00 C ATOM 1217 CG LYS A 82 5.568 -2.279 7.347 1.00 0.00 C ATOM 1218 CD LYS A 82 5.638 -2.003 8.851 1.00 0.00 C ATOM 1219 CE LYS A 82 6.967 -2.523 9.405 1.00 0.00 C ATOM 1220 NZ LYS A 82 7.993 -1.569 8.900 1.00 0.00 N ATOM 0 H LYS A 82 2.001 -2.378 5.526 1.00 0.00 H new ATOM 0 HA LYS A 82 4.256 -0.406 5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.455 -2.021 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.828 -3.356 6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.064 -3.222 7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.096 -1.499 6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.547 -0.933 9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.805 -2.488 9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.957 -2.552 10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.168 -3.538 9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.883 -1.710 9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.153 -1.736 7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.660 -0.594 9.042 1.00 0.00 H new ATOM 1234 N ILE A 83 5.547 -1.143 3.930 1.00 0.00 N ATOM 1235 CA ILE A 83 6.335 -1.605 2.751 1.00 0.00 C ATOM 1236 C ILE A 83 7.820 -1.284 2.942 1.00 0.00 C ATOM 1237 O ILE A 83 8.191 -0.165 3.235 1.00 0.00 O ATOM 1238 CB ILE A 83 5.765 -0.827 1.566 1.00 0.00 C ATOM 1239 CG1 ILE A 83 4.277 -1.151 1.416 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.505 -1.228 0.290 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.691 -0.342 0.258 1.00 0.00 C ATOM 0 H ILE A 83 5.740 -0.189 4.236 1.00 0.00 H new ATOM 0 HA ILE A 83 6.263 -2.683 2.605 1.00 0.00 H new ATOM 0 HB ILE A 83 5.890 0.242 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.143 -2.217 1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.748 -0.918 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.099 -0.673 -0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.566 -1.000 0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.379 -2.297 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.631 -0.574 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.811 0.722 0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.212 -0.597 -0.665 1.00 0.00 H new ATOM 1253 N GLY A 84 8.673 -2.258 2.772 1.00 0.00 N ATOM 1254 CA GLY A 84 10.133 -2.009 2.941 1.00 0.00 C ATOM 1255 C GLY A 84 10.913 -2.836 1.918 1.00 0.00 C ATOM 1256 O GLY A 84 11.170 -2.322 0.842 1.00 0.00 O ATOM 1257 OXT GLY A 84 11.240 -3.970 2.228 1.00 0.00 O ATOM 0 H GLY A 84 8.422 -3.215 2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.350 -0.949 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.443 -2.274 3.952 1.00 0.00 H new