USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=6 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 -164:sc= -2.46! 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=-0.00283 X(o=-0.0028,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 53 THR OG1 : rot -30:sc= 0.625 USER MOD Single : A 56 ASN : amide:sc= -2.22! C(o=-2.2!,f=-5.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.126 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= -0.0142 K(o=-0.014,f=-1.2!) USER MOD Single : A 78 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.02) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 189 N ALA A 13 2.906 4.834 13.643 1.00 0.00 N ATOM 190 CA ALA A 13 3.465 3.857 12.665 1.00 0.00 C ATOM 191 C ALA A 13 4.344 2.836 13.390 1.00 0.00 C ATOM 192 O ALA A 13 4.256 2.667 14.590 1.00 0.00 O ATOM 193 CB ALA A 13 4.300 4.697 11.698 1.00 0.00 C ATOM 0 HA ALA A 13 2.687 3.297 12.146 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.747 4.048 10.945 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.661 5.433 11.210 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.088 5.210 12.249 1.00 0.00 H new ATOM 199 N GLY A 14 5.192 2.152 12.672 1.00 0.00 N ATOM 200 CA GLY A 14 6.075 1.143 13.323 1.00 0.00 C ATOM 201 C GLY A 14 7.448 1.155 12.649 1.00 0.00 C ATOM 202 O GLY A 14 7.897 0.160 12.114 1.00 0.00 O ATOM 0 H GLY A 14 5.312 2.248 11.664 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.178 1.365 14.385 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.629 0.151 13.247 1.00 0.00 H new ATOM 206 N GLU A 15 8.119 2.273 12.669 1.00 0.00 N ATOM 207 CA GLU A 15 9.464 2.351 12.029 1.00 0.00 C ATOM 208 C GLU A 15 9.388 1.874 10.575 1.00 0.00 C ATOM 209 O GLU A 15 9.751 0.758 10.260 1.00 0.00 O ATOM 210 CB GLU A 15 10.354 1.419 12.852 1.00 0.00 C ATOM 211 CG GLU A 15 11.808 1.569 12.397 1.00 0.00 C ATOM 212 CD GLU A 15 12.598 0.319 12.789 1.00 0.00 C ATOM 213 OE1 GLU A 15 12.042 -0.762 12.698 1.00 0.00 O ATOM 214 OE2 GLU A 15 13.746 0.467 13.175 1.00 0.00 O ATOM 0 H GLU A 15 7.794 3.138 13.101 1.00 0.00 H new ATOM 0 HA GLU A 15 9.851 3.370 12.010 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.267 1.658 13.912 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.028 0.386 12.730 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.849 1.714 11.317 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.254 2.452 12.855 1.00 0.00 H new ATOM 221 N GLY A 16 8.921 2.709 9.689 1.00 0.00 N ATOM 222 CA GLY A 16 8.823 2.302 8.258 1.00 0.00 C ATOM 223 C GLY A 16 7.402 2.548 7.751 1.00 0.00 C ATOM 224 O GLY A 16 7.190 3.250 6.782 1.00 0.00 O ATOM 0 H GLY A 16 8.603 3.656 9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.537 2.868 7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.081 1.248 8.151 1.00 0.00 H new ATOM 228 N GLU A 17 6.425 1.974 8.399 1.00 0.00 N ATOM 229 CA GLU A 17 5.015 2.173 7.956 1.00 0.00 C ATOM 230 C GLU A 17 4.699 3.667 7.839 1.00 0.00 C ATOM 231 O GLU A 17 5.163 4.472 8.623 1.00 0.00 O ATOM 232 CB GLU A 17 4.167 1.532 9.054 1.00 0.00 C ATOM 233 CG GLU A 17 4.340 0.012 9.014 1.00 0.00 C ATOM 234 CD GLU A 17 3.789 -0.600 10.303 1.00 0.00 C ATOM 235 OE1 GLU A 17 3.668 0.126 11.276 1.00 0.00 O ATOM 236 OE2 GLU A 17 3.495 -1.783 10.294 1.00 0.00 O ATOM 0 H GLU A 17 6.542 1.375 9.217 1.00 0.00 H new ATOM 0 HA GLU A 17 4.823 1.733 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.465 1.917 10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.118 1.793 8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.818 -0.401 8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.394 -0.242 8.900 1.00 0.00 H new ATOM 243 N ILE A 18 3.911 4.043 6.869 1.00 0.00 N ATOM 244 CA ILE A 18 3.565 5.483 6.704 1.00 0.00 C ATOM 245 C ILE A 18 2.070 5.703 6.982 1.00 0.00 C ATOM 246 O ILE A 18 1.240 4.980 6.466 1.00 0.00 O ATOM 247 CB ILE A 18 3.889 5.802 5.244 1.00 0.00 C ATOM 248 CG1 ILE A 18 5.352 5.451 4.959 1.00 0.00 C ATOM 249 CG2 ILE A 18 3.663 7.292 4.981 1.00 0.00 C ATOM 250 CD1 ILE A 18 5.426 4.070 4.305 1.00 0.00 C ATOM 0 H ILE A 18 3.492 3.415 6.183 1.00 0.00 H new ATOM 0 HA ILE A 18 4.115 6.123 7.394 1.00 0.00 H new ATOM 0 HB ILE A 18 3.239 5.217 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.796 6.200 4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.926 5.458 5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.895 7.517 3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.622 7.543 5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.311 7.879 5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 18 6.467 3.819 4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.998 3.326 4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.866 4.080 3.370 1.00 0.00 H new ATOM 262 N PRO A 19 1.768 6.692 7.788 1.00 0.00 N ATOM 263 CA PRO A 19 0.352 6.986 8.122 1.00 0.00 C ATOM 264 C PRO A 19 -0.359 7.633 6.930 1.00 0.00 C ATOM 265 O PRO A 19 0.221 8.403 6.191 1.00 0.00 O ATOM 266 CB PRO A 19 0.452 7.967 9.286 1.00 0.00 C ATOM 267 CG PRO A 19 1.790 8.616 9.132 1.00 0.00 C ATOM 268 CD PRO A 19 2.694 7.616 8.459 1.00 0.00 C ATOM 0 HA PRO A 19 -0.220 6.092 8.370 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.350 8.704 9.251 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.371 7.453 10.244 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.711 9.525 8.536 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.192 8.905 10.103 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.362 8.099 7.746 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.322 7.096 9.182 1.00 0.00 H new ATOM 276 N ALA A 20 -1.616 7.331 6.743 1.00 0.00 N ATOM 277 CA ALA A 20 -2.367 7.934 5.605 1.00 0.00 C ATOM 278 C ALA A 20 -3.456 8.874 6.136 1.00 0.00 C ATOM 279 O ALA A 20 -4.623 8.542 6.113 1.00 0.00 O ATOM 280 CB ALA A 20 -2.990 6.748 4.867 1.00 0.00 C ATOM 0 H ALA A 20 -2.155 6.693 7.329 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.727 8.525 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.562 7.111 4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.201 6.081 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.652 6.206 5.543 1.00 0.00 H new ATOM 286 N PRO A 21 -3.034 10.024 6.606 1.00 0.00 N ATOM 287 CA PRO A 21 -3.993 11.017 7.155 1.00 0.00 C ATOM 288 C PRO A 21 -4.818 11.648 6.029 1.00 0.00 C ATOM 289 O PRO A 21 -4.768 12.841 5.804 1.00 0.00 O ATOM 290 CB PRO A 21 -3.093 12.056 7.819 1.00 0.00 C ATOM 291 CG PRO A 21 -1.782 11.940 7.111 1.00 0.00 C ATOM 292 CD PRO A 21 -1.647 10.506 6.673 1.00 0.00 C ATOM 0 HA PRO A 21 -4.713 10.579 7.847 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.508 13.059 7.720 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.984 11.860 8.886 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.746 12.611 6.253 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.961 12.221 7.770 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.150 10.429 5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.056 9.926 7.382 1.00 0.00 H new ATOM 300 N LEU A 22 -5.578 10.857 5.322 1.00 0.00 N ATOM 301 CA LEU A 22 -6.407 11.412 4.214 1.00 0.00 C ATOM 302 C LEU A 22 -7.900 11.300 4.548 1.00 0.00 C ATOM 303 O LEU A 22 -8.736 11.887 3.891 1.00 0.00 O ATOM 304 CB LEU A 22 -6.069 10.551 2.997 1.00 0.00 C ATOM 305 CG LEU A 22 -5.154 11.335 2.056 1.00 0.00 C ATOM 306 CD1 LEU A 22 -5.870 12.605 1.590 1.00 0.00 C ATOM 307 CD2 LEU A 22 -3.869 11.716 2.794 1.00 0.00 C ATOM 0 H LEU A 22 -5.661 9.850 5.464 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.202 12.468 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.579 9.630 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.983 10.263 2.477 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.907 10.718 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.218 13.165 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.786 12.334 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.117 13.222 2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.216 12.275 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.115 12.333 3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.359 10.812 3.127 1.00 0.00 H new ATOM 319 N ALA A 23 -8.244 10.550 5.563 1.00 0.00 N ATOM 320 CA ALA A 23 -9.683 10.406 5.929 1.00 0.00 C ATOM 321 C ALA A 23 -10.491 9.925 4.720 1.00 0.00 C ATOM 322 O ALA A 23 -9.945 9.612 3.680 1.00 0.00 O ATOM 323 CB ALA A 23 -10.131 11.807 6.350 1.00 0.00 C ATOM 0 H ALA A 23 -7.592 10.033 6.152 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.834 9.675 6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.183 11.782 6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.533 12.141 7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.996 12.498 5.517 1.00 0.00 H new ATOM 329 N GLY A 24 -11.787 9.863 4.850 1.00 0.00 N ATOM 330 CA GLY A 24 -12.631 9.402 3.710 1.00 0.00 C ATOM 331 C GLY A 24 -13.286 8.066 4.065 1.00 0.00 C ATOM 332 O GLY A 24 -13.356 7.686 5.216 1.00 0.00 O ATOM 0 H GLY A 24 -12.299 10.112 5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.396 10.146 3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.021 9.293 2.813 1.00 0.00 H new ATOM 336 N THR A 25 -13.767 7.347 3.088 1.00 0.00 N ATOM 337 CA THR A 25 -14.413 6.034 3.377 1.00 0.00 C ATOM 338 C THR A 25 -13.839 4.950 2.461 1.00 0.00 C ATOM 339 O THR A 25 -14.210 4.844 1.309 1.00 0.00 O ATOM 340 CB THR A 25 -15.900 6.248 3.089 1.00 0.00 C ATOM 341 OG1 THR A 25 -16.047 6.962 1.870 1.00 0.00 O ATOM 342 CG2 THR A 25 -16.533 7.045 4.231 1.00 0.00 C ATOM 0 H THR A 25 -13.741 7.611 2.103 1.00 0.00 H new ATOM 0 HA THR A 25 -14.241 5.707 4.403 1.00 0.00 H new ATOM 0 HB THR A 25 -16.397 5.282 3.005 1.00 0.00 H new ATOM 0 HG1 THR A 25 -16.956 7.324 1.810 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.592 7.197 4.025 1.00 0.00 H new ATOM 0 HG22 THR A 25 -16.420 6.495 5.165 1.00 0.00 H new ATOM 0 HG23 THR A 25 -16.038 8.012 4.318 1.00 0.00 H new ATOM 350 N VAL A 26 -12.940 4.143 2.959 1.00 0.00 N ATOM 351 CA VAL A 26 -12.358 3.071 2.096 1.00 0.00 C ATOM 352 C VAL A 26 -13.480 2.211 1.510 1.00 0.00 C ATOM 353 O VAL A 26 -14.415 1.847 2.195 1.00 0.00 O ATOM 354 CB VAL A 26 -11.480 2.221 3.019 1.00 0.00 C ATOM 355 CG1 VAL A 26 -10.357 3.071 3.617 1.00 0.00 C ATOM 356 CG2 VAL A 26 -12.339 1.642 4.141 1.00 0.00 C ATOM 0 H VAL A 26 -12.586 4.177 3.915 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.786 3.487 1.266 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.035 1.411 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.742 2.453 4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.741 3.476 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.788 3.890 4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.717 1.036 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.788 2.455 4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.126 1.021 3.713 1.00 0.00 H new ATOM 366 N SER A 27 -13.395 1.876 0.254 1.00 0.00 N ATOM 367 CA SER A 27 -14.458 1.033 -0.361 1.00 0.00 C ATOM 368 C SER A 27 -13.936 -0.388 -0.580 1.00 0.00 C ATOM 369 O SER A 27 -14.696 -1.332 -0.675 1.00 0.00 O ATOM 370 CB SER A 27 -14.779 1.702 -1.696 1.00 0.00 C ATOM 371 OG SER A 27 -16.179 1.626 -1.933 1.00 0.00 O ATOM 0 H SER A 27 -12.638 2.148 -0.373 1.00 0.00 H new ATOM 0 HA SER A 27 -15.342 0.955 0.272 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.457 2.743 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.234 1.211 -2.503 1.00 0.00 H new ATOM 0 HG SER A 27 -16.390 2.056 -2.788 1.00 0.00 H new ATOM 377 N LYS A 28 -12.642 -0.550 -0.658 1.00 0.00 N ATOM 378 CA LYS A 28 -12.066 -1.911 -0.870 1.00 0.00 C ATOM 379 C LYS A 28 -10.538 -1.836 -0.883 1.00 0.00 C ATOM 380 O LYS A 28 -9.960 -0.773 -0.989 1.00 0.00 O ATOM 381 CB LYS A 28 -12.590 -2.360 -2.237 1.00 0.00 C ATOM 382 CG LYS A 28 -13.518 -3.564 -2.062 1.00 0.00 C ATOM 383 CD LYS A 28 -14.479 -3.643 -3.250 1.00 0.00 C ATOM 384 CE LYS A 28 -13.685 -3.914 -4.530 1.00 0.00 C ATOM 385 NZ LYS A 28 -14.222 -2.949 -5.529 1.00 0.00 N ATOM 0 H LYS A 28 -11.957 0.203 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.348 -2.606 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.126 -1.542 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.757 -2.622 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.933 -4.481 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.079 -3.472 -1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.210 -4.435 -3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.035 -2.710 -3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.617 -3.764 -4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.816 -4.943 -4.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.726 -3.074 -6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.239 -3.120 -5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.077 -1.978 -5.186 1.00 0.00 H new ATOM 399 N ILE A 29 -9.876 -2.956 -0.780 1.00 0.00 N ATOM 400 CA ILE A 29 -8.385 -2.943 -0.791 1.00 0.00 C ATOM 401 C ILE A 29 -7.865 -3.649 -2.044 1.00 0.00 C ATOM 402 O ILE A 29 -8.450 -4.600 -2.522 1.00 0.00 O ATOM 403 CB ILE A 29 -7.965 -3.704 0.466 1.00 0.00 C ATOM 404 CG1 ILE A 29 -6.438 -3.781 0.524 1.00 0.00 C ATOM 405 CG2 ILE A 29 -8.545 -5.119 0.426 1.00 0.00 C ATOM 406 CD1 ILE A 29 -5.926 -2.901 1.666 1.00 0.00 C ATOM 0 H ILE A 29 -10.302 -3.878 -0.689 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.982 -1.930 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.339 -3.185 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.121 -4.813 0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.010 -3.452 -0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.245 -5.661 1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.633 -5.065 0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.171 -5.641 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.838 -2.956 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.231 -1.869 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.343 -3.251 2.610 1.00 0.00 H new ATOM 418 N LEU A 30 -6.767 -3.193 -2.581 1.00 0.00 N ATOM 419 CA LEU A 30 -6.212 -3.841 -3.803 1.00 0.00 C ATOM 420 C LEU A 30 -4.826 -4.427 -3.515 1.00 0.00 C ATOM 421 O LEU A 30 -4.316 -5.233 -4.269 1.00 0.00 O ATOM 422 CB LEU A 30 -6.117 -2.720 -4.840 1.00 0.00 C ATOM 423 CG LEU A 30 -7.342 -2.761 -5.754 1.00 0.00 C ATOM 424 CD1 LEU A 30 -7.398 -4.109 -6.476 1.00 0.00 C ATOM 425 CD2 LEU A 30 -8.610 -2.578 -4.918 1.00 0.00 C ATOM 0 H LEU A 30 -6.231 -2.401 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.836 -4.665 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.056 -1.753 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.207 -2.832 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.272 -1.959 -6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.272 -4.137 -7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.496 -4.239 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.467 -4.912 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.483 -2.607 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.680 -3.379 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.572 -1.617 -4.405 1.00 0.00 H new ATOM 437 N VAL A 31 -4.209 -4.031 -2.434 1.00 0.00 N ATOM 438 CA VAL A 31 -2.856 -4.570 -2.113 1.00 0.00 C ATOM 439 C VAL A 31 -2.944 -5.581 -0.963 1.00 0.00 C ATOM 440 O VAL A 31 -3.670 -5.391 -0.009 1.00 0.00 O ATOM 441 CB VAL A 31 -2.027 -3.348 -1.702 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.575 -2.755 -0.399 1.00 0.00 C ATOM 443 CG2 VAL A 31 -0.571 -3.768 -1.496 1.00 0.00 C ATOM 0 H VAL A 31 -4.582 -3.360 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.410 -5.095 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.086 -2.596 -2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.979 -1.887 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.612 -2.451 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.524 -3.504 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.020 -2.900 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.518 -4.524 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.176 -4.180 -2.425 1.00 0.00 H new ATOM 453 N LYS A 32 -2.203 -6.652 -1.048 1.00 0.00 N ATOM 454 CA LYS A 32 -2.238 -7.671 0.041 1.00 0.00 C ATOM 455 C LYS A 32 -0.866 -7.763 0.712 1.00 0.00 C ATOM 456 O LYS A 32 0.067 -7.084 0.332 1.00 0.00 O ATOM 457 CB LYS A 32 -2.586 -8.987 -0.656 1.00 0.00 C ATOM 458 CG LYS A 32 -3.556 -9.785 0.218 1.00 0.00 C ATOM 459 CD LYS A 32 -3.093 -11.240 0.299 1.00 0.00 C ATOM 460 CE LYS A 32 -4.308 -12.167 0.238 1.00 0.00 C ATOM 461 NZ LYS A 32 -4.523 -12.615 1.642 1.00 0.00 N ATOM 0 H LYS A 32 -1.575 -6.866 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.960 -7.423 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.036 -8.788 -1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.680 -9.566 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.603 -9.351 1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.562 -9.735 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.412 -11.462 -0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.542 -11.406 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.184 -11.645 -0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.125 -13.014 -0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.341 -13.255 1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.676 -13.115 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.702 -11.788 2.247 1.00 0.00 H new ATOM 475 N GLU A 33 -0.733 -8.596 1.707 1.00 0.00 N ATOM 476 CA GLU A 33 0.584 -8.725 2.395 1.00 0.00 C ATOM 477 C GLU A 33 1.469 -9.733 1.657 1.00 0.00 C ATOM 478 O GLU A 33 0.999 -10.727 1.141 1.00 0.00 O ATOM 479 CB GLU A 33 0.252 -9.225 3.802 1.00 0.00 C ATOM 480 CG GLU A 33 -0.415 -10.599 3.717 1.00 0.00 C ATOM 481 CD GLU A 33 0.464 -11.638 4.417 1.00 0.00 C ATOM 482 OE1 GLU A 33 1.632 -11.726 4.073 1.00 0.00 O ATOM 483 OE2 GLU A 33 -0.044 -12.327 5.287 1.00 0.00 O ATOM 0 H GLU A 33 -1.476 -9.191 2.073 1.00 0.00 H new ATOM 0 HA GLU A 33 1.131 -7.783 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.161 -9.288 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.411 -8.519 4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.400 -10.566 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.566 -10.878 2.674 1.00 0.00 H new ATOM 490 N GLY A 34 2.748 -9.481 1.599 1.00 0.00 N ATOM 491 CA GLY A 34 3.663 -10.421 0.892 1.00 0.00 C ATOM 492 C GLY A 34 3.586 -10.176 -0.617 1.00 0.00 C ATOM 493 O GLY A 34 3.918 -11.032 -1.411 1.00 0.00 O ATOM 0 H GLY A 34 3.199 -8.664 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.686 -10.281 1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.388 -11.451 1.118 1.00 0.00 H new ATOM 497 N ASP A 35 3.151 -9.012 -1.019 1.00 0.00 N ATOM 498 CA ASP A 35 3.054 -8.715 -2.479 1.00 0.00 C ATOM 499 C ASP A 35 3.966 -7.538 -2.839 1.00 0.00 C ATOM 500 O ASP A 35 4.329 -6.742 -1.996 1.00 0.00 O ATOM 501 CB ASP A 35 1.588 -8.351 -2.715 1.00 0.00 C ATOM 502 CG ASP A 35 1.064 -9.108 -3.936 1.00 0.00 C ATOM 503 OD1 ASP A 35 0.934 -10.319 -3.846 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.803 -8.467 -4.940 1.00 0.00 O ATOM 0 H ASP A 35 2.859 -8.255 -0.401 1.00 0.00 H new ATOM 0 HA ASP A 35 3.366 -9.559 -3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.994 -8.602 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.490 -7.277 -2.870 1.00 0.00 H new ATOM 509 N THR A 36 4.339 -7.420 -4.085 1.00 0.00 N ATOM 510 CA THR A 36 5.227 -6.293 -4.492 1.00 0.00 C ATOM 511 C THR A 36 4.418 -5.212 -5.215 1.00 0.00 C ATOM 512 O THR A 36 3.609 -5.498 -6.075 1.00 0.00 O ATOM 513 CB THR A 36 6.255 -6.917 -5.438 1.00 0.00 C ATOM 514 OG1 THR A 36 6.990 -7.914 -4.744 1.00 0.00 O ATOM 515 CG2 THR A 36 7.209 -5.834 -5.942 1.00 0.00 C ATOM 0 H THR A 36 4.068 -8.054 -4.837 1.00 0.00 H new ATOM 0 HA THR A 36 5.700 -5.813 -3.635 1.00 0.00 H new ATOM 0 HB THR A 36 5.742 -7.369 -6.287 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.648 -8.316 -5.349 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.941 -6.279 -6.616 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.643 -5.070 -6.475 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.724 -5.380 -5.095 1.00 0.00 H new ATOM 523 N VAL A 37 4.632 -3.971 -4.871 1.00 0.00 N ATOM 524 CA VAL A 37 3.878 -2.869 -5.537 1.00 0.00 C ATOM 525 C VAL A 37 4.850 -1.896 -6.211 1.00 0.00 C ATOM 526 O VAL A 37 6.052 -2.015 -6.080 1.00 0.00 O ATOM 527 CB VAL A 37 3.121 -2.170 -4.407 1.00 0.00 C ATOM 528 CG1 VAL A 37 2.137 -3.152 -3.768 1.00 0.00 C ATOM 529 CG2 VAL A 37 4.118 -1.685 -3.350 1.00 0.00 C ATOM 0 H VAL A 37 5.297 -3.672 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 37 3.207 -3.237 -6.313 1.00 0.00 H new ATOM 0 HB VAL A 37 2.573 -1.318 -4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.597 -2.654 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.428 -3.498 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.684 -4.005 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.580 -1.186 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.665 -2.537 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.819 -0.985 -3.805 1.00 0.00 H new ATOM 539 N LYS A 38 4.338 -0.935 -6.931 1.00 0.00 N ATOM 540 CA LYS A 38 5.233 0.045 -7.610 1.00 0.00 C ATOM 541 C LYS A 38 4.657 1.459 -7.486 1.00 0.00 C ATOM 542 O LYS A 38 3.458 1.651 -7.472 1.00 0.00 O ATOM 543 CB LYS A 38 5.263 -0.393 -9.074 1.00 0.00 C ATOM 544 CG LYS A 38 6.470 0.242 -9.767 1.00 0.00 C ATOM 545 CD LYS A 38 7.015 -0.718 -10.825 1.00 0.00 C ATOM 546 CE LYS A 38 6.438 -0.349 -12.193 1.00 0.00 C ATOM 547 NZ LYS A 38 5.500 -1.458 -12.523 1.00 0.00 N ATOM 0 H LYS A 38 3.340 -0.786 -7.078 1.00 0.00 H new ATOM 0 HA LYS A 38 6.230 0.067 -7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.322 -1.479 -9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.342 -0.093 -9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.182 1.185 -10.231 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.244 0.471 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.103 -0.667 -10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.750 -1.744 -10.571 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.920 0.610 -12.158 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.224 -0.260 -12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.062 -1.279 -13.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.023 -2.357 -12.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.759 -1.514 -11.795 1.00 0.00 H new ATOM 561 N ALA A 39 5.501 2.450 -7.397 1.00 0.00 N ATOM 562 CA ALA A 39 4.998 3.850 -7.273 1.00 0.00 C ATOM 563 C ALA A 39 4.121 4.208 -8.478 1.00 0.00 C ATOM 564 O ALA A 39 4.613 4.466 -9.559 1.00 0.00 O ATOM 565 CB ALA A 39 6.253 4.723 -7.247 1.00 0.00 C ATOM 0 H ALA A 39 6.516 2.352 -7.405 1.00 0.00 H new ATOM 0 HA ALA A 39 4.386 3.989 -6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.966 5.771 -7.157 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.874 4.443 -6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.816 4.579 -8.169 1.00 0.00 H new ATOM 571 N GLY A 40 2.827 4.227 -8.301 1.00 0.00 N ATOM 572 CA GLY A 40 1.924 4.570 -9.436 1.00 0.00 C ATOM 573 C GLY A 40 0.885 3.462 -9.642 1.00 0.00 C ATOM 574 O GLY A 40 -0.028 3.599 -10.433 1.00 0.00 O ATOM 0 H GLY A 40 2.357 4.020 -7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.422 5.517 -9.237 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.508 4.704 -10.347 1.00 0.00 H new ATOM 578 N GLN A 41 1.010 2.362 -8.946 1.00 0.00 N ATOM 579 CA GLN A 41 0.024 1.256 -9.117 1.00 0.00 C ATOM 580 C GLN A 41 -1.087 1.365 -8.068 1.00 0.00 C ATOM 581 O GLN A 41 -0.834 1.347 -6.880 1.00 0.00 O ATOM 582 CB GLN A 41 0.832 -0.025 -8.908 1.00 0.00 C ATOM 583 CG GLN A 41 0.679 -0.933 -10.129 1.00 0.00 C ATOM 584 CD GLN A 41 1.557 -2.173 -9.956 1.00 0.00 C ATOM 585 OE1 GLN A 41 2.388 -2.465 -10.794 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.410 -2.919 -8.896 1.00 0.00 N ATOM 0 H GLN A 41 1.751 2.183 -8.268 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.460 1.282 -10.093 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.883 0.217 -8.752 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.488 -0.542 -8.012 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.364 -1.227 -10.249 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.965 -0.395 -11.033 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.713 -2.674 -8.193 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.992 -3.747 -8.770 1.00 0.00 H new ATOM 595 N THR A 42 -2.318 1.472 -8.496 1.00 0.00 N ATOM 596 CA THR A 42 -3.443 1.576 -7.518 1.00 0.00 C ATOM 597 C THR A 42 -3.347 0.448 -6.487 1.00 0.00 C ATOM 598 O THR A 42 -3.201 -0.708 -6.830 1.00 0.00 O ATOM 599 CB THR A 42 -4.714 1.430 -8.357 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.513 2.028 -9.629 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.879 2.122 -7.644 1.00 0.00 C ATOM 0 H THR A 42 -2.593 1.492 -9.478 1.00 0.00 H new ATOM 0 HA THR A 42 -3.427 2.516 -6.966 1.00 0.00 H new ATOM 0 HB THR A 42 -4.945 0.373 -8.486 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.326 1.933 -10.167 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.785 2.018 -8.242 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.033 1.662 -6.668 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.649 3.180 -7.514 1.00 0.00 H new ATOM 609 N VAL A 43 -3.415 0.775 -5.226 1.00 0.00 N ATOM 610 CA VAL A 43 -3.314 -0.281 -4.178 1.00 0.00 C ATOM 611 C VAL A 43 -4.521 -0.242 -3.234 1.00 0.00 C ATOM 612 O VAL A 43 -4.860 -1.233 -2.617 1.00 0.00 O ATOM 613 CB VAL A 43 -2.029 0.039 -3.412 1.00 0.00 C ATOM 614 CG1 VAL A 43 -0.825 -0.140 -4.339 1.00 0.00 C ATOM 615 CG2 VAL A 43 -2.076 1.485 -2.911 1.00 0.00 C ATOM 0 H VAL A 43 -3.536 1.725 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.298 -1.279 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.938 -0.636 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.091 0.088 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.789 -1.170 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.918 0.534 -5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.160 1.711 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.169 2.162 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.933 1.613 -2.250 1.00 0.00 H new ATOM 625 N LEU A 44 -5.170 0.884 -3.103 1.00 0.00 N ATOM 626 CA LEU A 44 -6.345 0.945 -2.181 1.00 0.00 C ATOM 627 C LEU A 44 -7.477 1.783 -2.785 1.00 0.00 C ATOM 628 O LEU A 44 -7.296 2.484 -3.760 1.00 0.00 O ATOM 629 CB LEU A 44 -5.812 1.600 -0.907 1.00 0.00 C ATOM 630 CG LEU A 44 -5.345 0.514 0.064 1.00 0.00 C ATOM 631 CD1 LEU A 44 -3.833 0.626 0.267 1.00 0.00 C ATOM 632 CD2 LEU A 44 -6.056 0.689 1.407 1.00 0.00 C ATOM 0 H LEU A 44 -4.943 1.753 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.764 -0.044 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.986 2.269 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.590 2.207 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.584 -0.467 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.500 -0.148 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.327 0.499 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.593 1.607 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.723 -0.085 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.819 1.670 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.133 0.607 1.262 1.00 0.00 H new ATOM 644 N VAL A 45 -8.645 1.712 -2.203 1.00 0.00 N ATOM 645 CA VAL A 45 -9.798 2.501 -2.727 1.00 0.00 C ATOM 646 C VAL A 45 -10.361 3.391 -1.616 1.00 0.00 C ATOM 647 O VAL A 45 -10.772 2.917 -0.576 1.00 0.00 O ATOM 648 CB VAL A 45 -10.830 1.457 -3.158 1.00 0.00 C ATOM 649 CG1 VAL A 45 -12.116 2.160 -3.600 1.00 0.00 C ATOM 650 CG2 VAL A 45 -10.269 0.640 -4.326 1.00 0.00 C ATOM 0 H VAL A 45 -8.851 1.139 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.518 3.155 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.048 0.795 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.851 1.416 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.515 2.743 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.899 2.822 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.003 -0.105 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.051 1.304 -5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.353 0.139 -4.013 1.00 0.00 H new ATOM 660 N LEU A 46 -10.378 4.678 -1.824 1.00 0.00 N ATOM 661 CA LEU A 46 -10.907 5.592 -0.773 1.00 0.00 C ATOM 662 C LEU A 46 -11.488 6.858 -1.406 1.00 0.00 C ATOM 663 O LEU A 46 -10.949 7.394 -2.355 1.00 0.00 O ATOM 664 CB LEU A 46 -9.695 5.931 0.094 1.00 0.00 C ATOM 665 CG LEU A 46 -10.135 6.788 1.282 1.00 0.00 C ATOM 666 CD1 LEU A 46 -9.298 6.423 2.509 1.00 0.00 C ATOM 667 CD2 LEU A 46 -9.932 8.266 0.947 1.00 0.00 C ATOM 0 H LEU A 46 -10.049 5.136 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.711 5.136 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.222 5.015 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.951 6.466 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.189 6.605 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.610 7.033 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.442 5.369 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.244 6.607 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.245 8.877 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.878 8.450 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.527 8.526 0.072 1.00 0.00 H new ATOM 679 N GLU A 47 -12.583 7.343 -0.887 1.00 0.00 N ATOM 680 CA GLU A 47 -13.200 8.575 -1.454 1.00 0.00 C ATOM 681 C GLU A 47 -13.255 9.674 -0.389 1.00 0.00 C ATOM 682 O GLU A 47 -13.282 9.401 0.795 1.00 0.00 O ATOM 683 CB GLU A 47 -14.613 8.156 -1.864 1.00 0.00 C ATOM 684 CG GLU A 47 -15.352 7.600 -0.646 1.00 0.00 C ATOM 685 CD GLU A 47 -16.861 7.749 -0.851 1.00 0.00 C ATOM 686 OE1 GLU A 47 -17.384 7.109 -1.748 1.00 0.00 O ATOM 687 OE2 GLU A 47 -17.468 8.501 -0.107 1.00 0.00 O ATOM 0 H GLU A 47 -13.078 6.938 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.632 8.974 -2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.153 9.010 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.567 7.403 -2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.096 6.551 -0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.043 8.131 0.254 1.00 0.00 H new ATOM 775 N THR A 53 -10.651 7.410 -5.031 1.00 0.00 N ATOM 776 CA THR A 53 -10.832 5.945 -5.277 1.00 0.00 C ATOM 777 C THR A 53 -9.485 5.259 -5.547 1.00 0.00 C ATOM 778 O THR A 53 -8.808 4.841 -4.634 1.00 0.00 O ATOM 779 CB THR A 53 -11.766 5.846 -6.490 1.00 0.00 C ATOM 780 OG1 THR A 53 -11.283 6.673 -7.539 1.00 0.00 O ATOM 781 CG2 THR A 53 -13.171 6.298 -6.090 1.00 0.00 C ATOM 0 HA THR A 53 -11.254 5.439 -4.409 1.00 0.00 H new ATOM 0 HB THR A 53 -11.799 4.812 -6.834 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.813 7.444 -7.158 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.835 6.228 -6.952 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.545 5.658 -5.291 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.136 7.330 -5.742 1.00 0.00 H new ATOM 789 N GLU A 54 -9.086 5.132 -6.783 1.00 0.00 N ATOM 790 CA GLU A 54 -7.785 4.463 -7.076 1.00 0.00 C ATOM 791 C GLU A 54 -6.652 5.091 -6.253 1.00 0.00 C ATOM 792 O GLU A 54 -6.177 6.168 -6.556 1.00 0.00 O ATOM 793 CB GLU A 54 -7.552 4.692 -8.569 1.00 0.00 C ATOM 794 CG GLU A 54 -8.147 3.528 -9.364 1.00 0.00 C ATOM 795 CD GLU A 54 -9.309 4.033 -10.221 1.00 0.00 C ATOM 796 OE1 GLU A 54 -9.081 4.911 -11.038 1.00 0.00 O ATOM 797 OE2 GLU A 54 -10.409 3.535 -10.045 1.00 0.00 O ATOM 0 H GLU A 54 -9.601 5.461 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.805 3.404 -6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.011 5.630 -8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.484 4.777 -8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.382 3.079 -9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.494 2.750 -8.684 1.00 0.00 H new ATOM 804 N ILE A 55 -6.204 4.420 -5.223 1.00 0.00 N ATOM 805 CA ILE A 55 -5.090 4.974 -4.397 1.00 0.00 C ATOM 806 C ILE A 55 -3.753 4.422 -4.900 1.00 0.00 C ATOM 807 O ILE A 55 -3.300 3.383 -4.461 1.00 0.00 O ATOM 808 CB ILE A 55 -5.358 4.497 -2.961 1.00 0.00 C ATOM 809 CG1 ILE A 55 -6.610 5.181 -2.403 1.00 0.00 C ATOM 810 CG2 ILE A 55 -4.164 4.847 -2.067 1.00 0.00 C ATOM 811 CD1 ILE A 55 -6.462 6.701 -2.508 1.00 0.00 C ATOM 0 H ILE A 55 -6.561 3.514 -4.919 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.041 6.061 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.507 3.417 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.491 4.853 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.760 4.892 -1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.359 4.507 -1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.268 4.357 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.014 5.927 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.355 7.182 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.591 7.022 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.334 6.983 -3.553 1.00 0.00 H new ATOM 823 N ASN A 56 -3.120 5.109 -5.814 1.00 0.00 N ATOM 824 CA ASN A 56 -1.811 4.628 -6.347 1.00 0.00 C ATOM 825 C ASN A 56 -0.865 4.266 -5.199 1.00 0.00 C ATOM 826 O ASN A 56 -0.893 4.870 -4.144 1.00 0.00 O ATOM 827 CB ASN A 56 -1.252 5.808 -7.144 1.00 0.00 C ATOM 828 CG ASN A 56 -1.175 7.042 -6.242 1.00 0.00 C ATOM 829 OD1 ASN A 56 -1.600 7.004 -5.104 1.00 0.00 O ATOM 830 ND2 ASN A 56 -0.648 8.142 -6.705 1.00 0.00 N ATOM 0 H ASN A 56 -3.454 5.985 -6.216 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.922 3.733 -6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.262 5.564 -7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.888 6.013 -8.005 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.593 8.970 -6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.291 8.174 -7.660 1.00 0.00 H new ATOM 837 N ALA A 57 -0.026 3.285 -5.393 1.00 0.00 N ATOM 838 CA ALA A 57 0.920 2.887 -4.312 1.00 0.00 C ATOM 839 C ALA A 57 1.788 4.085 -3.908 1.00 0.00 C ATOM 840 O ALA A 57 2.044 4.960 -4.711 1.00 0.00 O ATOM 841 CB ALA A 57 1.782 1.783 -4.922 1.00 0.00 C ATOM 0 H ALA A 57 0.045 2.742 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 57 0.403 2.548 -3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.506 1.437 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.147 0.951 -5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.309 2.172 -5.793 1.00 0.00 H new ATOM 847 N PRO A 58 2.220 4.087 -2.671 1.00 0.00 N ATOM 848 CA PRO A 58 3.071 5.195 -2.170 1.00 0.00 C ATOM 849 C PRO A 58 4.477 5.092 -2.767 1.00 0.00 C ATOM 850 O PRO A 58 5.169 6.077 -2.928 1.00 0.00 O ATOM 851 CB PRO A 58 3.102 4.972 -0.660 1.00 0.00 C ATOM 852 CG PRO A 58 2.828 3.513 -0.478 1.00 0.00 C ATOM 853 CD PRO A 58 1.966 3.076 -1.634 1.00 0.00 C ATOM 0 HA PRO A 58 2.695 6.182 -2.439 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.070 5.247 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.351 5.580 -0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.759 2.946 -0.456 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.322 3.332 0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.235 2.077 -1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.912 3.045 -1.357 1.00 0.00 H new ATOM 861 N THR A 59 4.901 3.903 -3.098 1.00 0.00 N ATOM 862 CA THR A 59 6.260 3.727 -3.688 1.00 0.00 C ATOM 863 C THR A 59 6.426 2.293 -4.199 1.00 0.00 C ATOM 864 O THR A 59 5.486 1.524 -4.231 1.00 0.00 O ATOM 865 CB THR A 59 7.249 4.007 -2.548 1.00 0.00 C ATOM 866 OG1 THR A 59 6.608 3.817 -1.292 1.00 0.00 O ATOM 867 CG2 THR A 59 7.754 5.447 -2.653 1.00 0.00 C ATOM 0 H THR A 59 4.364 3.043 -2.985 1.00 0.00 H new ATOM 0 HA THR A 59 6.426 4.395 -4.533 1.00 0.00 H new ATOM 0 HB THR A 59 8.091 3.319 -2.627 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.245 3.996 -0.569 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.456 5.646 -1.844 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.255 5.588 -3.611 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.911 6.134 -2.579 1.00 0.00 H new ATOM 875 N ASP A 60 7.612 1.927 -4.597 1.00 0.00 N ATOM 876 CA ASP A 60 7.832 0.542 -5.103 1.00 0.00 C ATOM 877 C ASP A 60 8.539 -0.301 -4.040 1.00 0.00 C ATOM 878 O ASP A 60 9.381 0.182 -3.310 1.00 0.00 O ATOM 879 CB ASP A 60 8.719 0.703 -6.338 1.00 0.00 C ATOM 880 CG ASP A 60 9.028 -0.674 -6.935 1.00 0.00 C ATOM 881 OD1 ASP A 60 8.436 -1.644 -6.488 1.00 0.00 O ATOM 882 OD2 ASP A 60 9.854 -0.736 -7.832 1.00 0.00 O ATOM 0 H ASP A 60 8.438 2.525 -4.594 1.00 0.00 H new ATOM 0 HA ASP A 60 6.896 0.036 -5.340 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.218 1.327 -7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.646 1.210 -6.068 1.00 0.00 H new ATOM 887 N GLY A 61 8.202 -1.557 -3.949 1.00 0.00 N ATOM 888 CA GLY A 61 8.856 -2.429 -2.934 1.00 0.00 C ATOM 889 C GLY A 61 7.948 -3.618 -2.613 1.00 0.00 C ATOM 890 O GLY A 61 7.121 -4.013 -3.411 1.00 0.00 O ATOM 0 H GLY A 61 7.503 -2.017 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.816 -2.783 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.059 -1.859 -2.027 1.00 0.00 H new ATOM 894 N LYS A 62 8.096 -4.190 -1.450 1.00 0.00 N ATOM 895 CA LYS A 62 7.242 -5.355 -1.075 1.00 0.00 C ATOM 896 C LYS A 62 6.574 -5.101 0.280 1.00 0.00 C ATOM 897 O LYS A 62 7.152 -4.498 1.162 1.00 0.00 O ATOM 898 CB LYS A 62 8.209 -6.537 -0.984 1.00 0.00 C ATOM 899 CG LYS A 62 7.426 -7.848 -1.060 1.00 0.00 C ATOM 900 CD LYS A 62 8.405 -9.024 -1.108 1.00 0.00 C ATOM 901 CE LYS A 62 7.650 -10.330 -0.853 1.00 0.00 C ATOM 902 NZ LYS A 62 7.505 -10.959 -2.197 1.00 0.00 N ATOM 0 H LYS A 62 8.771 -3.902 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 62 6.444 -5.536 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.936 -6.488 -1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.769 -6.490 -0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.769 -7.943 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.790 -7.854 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.898 -9.061 -2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.186 -8.891 -0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.201 -10.978 -0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.678 -10.142 -0.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.996 -11.861 -2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.971 -10.322 -2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.447 -11.133 -2.602 1.00 0.00 H new ATOM 916 N VAL A 63 5.362 -5.553 0.453 1.00 0.00 N ATOM 917 CA VAL A 63 4.667 -5.330 1.753 1.00 0.00 C ATOM 918 C VAL A 63 5.215 -6.288 2.814 1.00 0.00 C ATOM 919 O VAL A 63 4.848 -7.444 2.869 1.00 0.00 O ATOM 920 CB VAL A 63 3.185 -5.611 1.470 1.00 0.00 C ATOM 921 CG1 VAL A 63 2.407 -5.752 2.784 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.601 -4.447 0.673 1.00 0.00 C ATOM 0 H VAL A 63 4.825 -6.065 -0.246 1.00 0.00 H new ATOM 0 HA VAL A 63 4.816 -4.320 2.136 1.00 0.00 H new ATOM 0 HB VAL A 63 3.103 -6.540 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.358 -5.951 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.820 -6.577 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.490 -4.828 3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.548 -4.639 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.697 -3.527 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.141 -4.343 -0.268 1.00 0.00 H new ATOM 932 N GLU A 64 6.078 -5.810 3.665 1.00 0.00 N ATOM 933 CA GLU A 64 6.629 -6.690 4.730 1.00 0.00 C ATOM 934 C GLU A 64 5.521 -7.055 5.725 1.00 0.00 C ATOM 935 O GLU A 64 5.658 -7.972 6.511 1.00 0.00 O ATOM 936 CB GLU A 64 7.713 -5.857 5.410 1.00 0.00 C ATOM 937 CG GLU A 64 8.798 -5.501 4.391 1.00 0.00 C ATOM 938 CD GLU A 64 9.982 -6.458 4.549 1.00 0.00 C ATOM 939 OE1 GLU A 64 10.857 -6.159 5.346 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.993 -7.472 3.872 1.00 0.00 O ATOM 0 H GLU A 64 6.425 -4.851 3.669 1.00 0.00 H new ATOM 0 HA GLU A 64 7.027 -7.625 4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.280 -4.948 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.147 -6.414 6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.397 -5.566 3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.126 -4.472 4.538 1.00 0.00 H new ATOM 947 N LYS A 65 4.418 -6.343 5.698 1.00 0.00 N ATOM 948 CA LYS A 65 3.299 -6.650 6.641 1.00 0.00 C ATOM 949 C LYS A 65 2.163 -5.639 6.455 1.00 0.00 C ATOM 950 O LYS A 65 2.352 -4.570 5.909 1.00 0.00 O ATOM 951 CB LYS A 65 3.894 -6.522 8.047 1.00 0.00 C ATOM 952 CG LYS A 65 3.864 -7.886 8.739 1.00 0.00 C ATOM 953 CD LYS A 65 3.645 -7.693 10.240 1.00 0.00 C ATOM 954 CE LYS A 65 2.152 -7.517 10.521 1.00 0.00 C ATOM 955 NZ LYS A 65 1.838 -8.521 11.575 1.00 0.00 N ATOM 0 H LYS A 65 4.246 -5.563 5.063 1.00 0.00 H new ATOM 0 HA LYS A 65 2.885 -7.643 6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.919 -6.155 7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.328 -5.795 8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.067 -8.500 8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.800 -8.416 8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.030 -8.553 10.788 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.197 -6.820 10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.931 -6.505 10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.558 -7.688 9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.829 -8.462 11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.052 -9.475 11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.413 -8.329 12.420 1.00 0.00 H new ATOM 969 N VAL A 66 0.986 -5.969 6.908 1.00 0.00 N ATOM 970 CA VAL A 66 -0.162 -5.029 6.763 1.00 0.00 C ATOM 971 C VAL A 66 -0.891 -4.885 8.101 1.00 0.00 C ATOM 972 O VAL A 66 -1.236 -5.862 8.736 1.00 0.00 O ATOM 973 CB VAL A 66 -1.074 -5.677 5.722 1.00 0.00 C ATOM 974 CG1 VAL A 66 -2.336 -4.829 5.545 1.00 0.00 C ATOM 975 CG2 VAL A 66 -0.333 -5.775 4.387 1.00 0.00 C ATOM 0 H VAL A 66 0.768 -6.850 7.373 1.00 0.00 H new ATOM 0 HA VAL A 66 0.153 -4.030 6.461 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.354 -6.676 6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.985 -5.293 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.864 -4.760 6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.059 -3.829 5.211 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.982 -6.237 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.052 -4.776 4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.564 -6.382 4.512 1.00 0.00 H new ATOM 985 N LEU A 67 -1.123 -3.679 8.540 1.00 0.00 N ATOM 986 CA LEU A 67 -1.824 -3.487 9.842 1.00 0.00 C ATOM 987 C LEU A 67 -3.236 -2.928 9.619 1.00 0.00 C ATOM 988 O LEU A 67 -4.133 -3.156 10.406 1.00 0.00 O ATOM 989 CB LEU A 67 -0.952 -2.497 10.625 1.00 0.00 C ATOM 990 CG LEU A 67 -1.009 -1.112 9.973 1.00 0.00 C ATOM 991 CD1 LEU A 67 -2.065 -0.262 10.681 1.00 0.00 C ATOM 992 CD2 LEU A 67 0.356 -0.430 10.095 1.00 0.00 C ATOM 0 H LEU A 67 -0.859 -2.821 8.056 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.950 -4.425 10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.296 -2.435 11.657 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.078 -2.852 10.653 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.268 -1.218 8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.108 0.724 10.219 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.038 -0.745 10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.803 -0.158 11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.313 0.555 9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.617 -0.324 11.148 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.111 -1.035 9.593 1.00 0.00 H new ATOM 1004 N VAL A 68 -3.443 -2.200 8.553 1.00 0.00 N ATOM 1005 CA VAL A 68 -4.803 -1.636 8.296 1.00 0.00 C ATOM 1006 C VAL A 68 -5.723 -2.712 7.714 1.00 0.00 C ATOM 1007 O VAL A 68 -5.345 -3.859 7.577 1.00 0.00 O ATOM 1008 CB VAL A 68 -4.589 -0.512 7.282 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -3.691 0.563 7.891 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -3.927 -1.078 6.023 1.00 0.00 C ATOM 0 H VAL A 68 -2.736 -1.972 7.854 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.274 -1.274 9.210 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.552 -0.073 7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.539 1.364 7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.164 0.968 8.786 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.728 0.126 8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.775 -0.276 5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.965 -1.519 6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.570 -1.843 5.587 1.00 0.00 H new ATOM 1020 N LYS A 69 -6.930 -2.351 7.371 1.00 0.00 N ATOM 1021 CA LYS A 69 -7.874 -3.352 6.798 1.00 0.00 C ATOM 1022 C LYS A 69 -9.025 -2.642 6.080 1.00 0.00 C ATOM 1023 O LYS A 69 -9.350 -1.509 6.374 1.00 0.00 O ATOM 1024 CB LYS A 69 -8.395 -4.139 8.000 1.00 0.00 C ATOM 1025 CG LYS A 69 -7.857 -5.570 7.945 1.00 0.00 C ATOM 1026 CD LYS A 69 -7.882 -6.180 9.348 1.00 0.00 C ATOM 1027 CE LYS A 69 -6.625 -7.028 9.558 1.00 0.00 C ATOM 1028 NZ LYS A 69 -5.981 -6.464 10.776 1.00 0.00 N ATOM 0 H LYS A 69 -7.303 -1.406 7.463 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.394 -4.000 6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.083 -3.657 8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.485 -4.149 7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.461 -6.171 7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.839 -5.572 7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.931 -5.391 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.773 -6.795 9.473 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.876 -8.080 9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.960 -6.969 8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.111 -6.994 10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.747 -5.464 10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.635 -6.540 11.581 1.00 0.00 H new ATOM 1042 N GLU A 70 -9.646 -3.301 5.139 1.00 0.00 N ATOM 1043 CA GLU A 70 -10.777 -2.665 4.399 1.00 0.00 C ATOM 1044 C GLU A 70 -11.801 -2.085 5.379 1.00 0.00 C ATOM 1045 O GLU A 70 -11.787 -2.389 6.556 1.00 0.00 O ATOM 1046 CB GLU A 70 -11.399 -3.798 3.583 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.925 -3.244 2.258 1.00 0.00 C ATOM 1048 CD GLU A 70 -13.453 -3.332 2.237 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -14.058 -3.006 3.245 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -13.989 -3.724 1.215 1.00 0.00 O ATOM 0 H GLU A 70 -9.420 -4.253 4.850 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.444 -1.840 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.658 -4.575 3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.211 -4.261 4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.608 -2.208 2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.506 -3.808 1.424 1.00 0.00 H new ATOM 1057 N ARG A 71 -12.691 -1.248 4.896 1.00 0.00 N ATOM 1058 CA ARG A 71 -13.746 -0.619 5.771 1.00 0.00 C ATOM 1059 C ARG A 71 -13.161 0.480 6.679 1.00 0.00 C ATOM 1060 O ARG A 71 -13.755 1.528 6.838 1.00 0.00 O ATOM 1061 CB ARG A 71 -14.356 -1.752 6.607 1.00 0.00 C ATOM 1062 CG ARG A 71 -15.881 -1.611 6.609 1.00 0.00 C ATOM 1063 CD ARG A 71 -16.494 -2.653 7.547 1.00 0.00 C ATOM 1064 NE ARG A 71 -17.678 -3.182 6.812 1.00 0.00 N ATOM 1065 CZ ARG A 71 -18.883 -2.915 7.235 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -19.177 -1.716 7.660 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -19.797 -3.847 7.233 1.00 0.00 N ATOM 0 H ARG A 71 -12.735 -0.967 3.916 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.502 -0.129 5.157 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.069 -2.719 6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.974 -1.714 7.627 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.163 -0.608 6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.269 -1.743 5.599 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.783 -3.447 7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.786 -2.206 8.497 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.546 -3.753 5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.464 -0.986 7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.120 -1.509 7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.569 -4.784 6.901 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.739 -3.638 7.564 1.00 0.00 H new ATOM 1081 N ASP A 72 -12.016 0.267 7.275 1.00 0.00 N ATOM 1082 CA ASP A 72 -11.435 1.322 8.157 1.00 0.00 C ATOM 1083 C ASP A 72 -11.348 2.651 7.401 1.00 0.00 C ATOM 1084 O ASP A 72 -10.834 2.717 6.304 1.00 0.00 O ATOM 1085 CB ASP A 72 -10.037 0.816 8.515 1.00 0.00 C ATOM 1086 CG ASP A 72 -9.655 1.317 9.910 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -10.016 0.660 10.872 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -9.010 2.350 9.991 1.00 0.00 O ATOM 0 H ASP A 72 -11.462 -0.585 7.190 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.042 1.499 9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.015 -0.273 8.490 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.312 1.166 7.780 1.00 0.00 H new ATOM 1093 N ALA A 73 -11.850 3.708 7.976 1.00 0.00 N ATOM 1094 CA ALA A 73 -11.796 5.027 7.284 1.00 0.00 C ATOM 1095 C ALA A 73 -12.096 6.160 8.271 1.00 0.00 C ATOM 1096 O ALA A 73 -11.932 6.012 9.465 1.00 0.00 O ATOM 1097 CB ALA A 73 -12.884 4.951 6.213 1.00 0.00 C ATOM 0 H ALA A 73 -12.295 3.716 8.894 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.813 5.230 6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.911 5.887 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.667 4.128 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.851 4.783 6.688 1.00 0.00 H new ATOM 1103 N VAL A 74 -12.540 7.285 7.773 1.00 0.00 N ATOM 1104 CA VAL A 74 -12.868 8.444 8.660 1.00 0.00 C ATOM 1105 C VAL A 74 -11.656 8.859 9.500 1.00 0.00 C ATOM 1106 O VAL A 74 -11.180 8.121 10.338 1.00 0.00 O ATOM 1107 CB VAL A 74 -14.007 7.958 9.558 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -14.376 9.063 10.552 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -15.226 7.620 8.698 1.00 0.00 C ATOM 0 H VAL A 74 -12.691 7.453 6.778 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.152 9.322 8.080 1.00 0.00 H new ATOM 0 HB VAL A 74 -13.688 7.069 10.102 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -15.188 8.719 11.193 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -13.508 9.306 11.164 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -14.696 9.951 10.007 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.038 7.274 9.338 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.546 8.509 8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.964 6.836 7.988 1.00 0.00 H new ATOM 1119 N GLN A 75 -11.163 10.049 9.287 1.00 0.00 N ATOM 1120 CA GLN A 75 -9.990 10.527 10.074 1.00 0.00 C ATOM 1121 C GLN A 75 -8.852 9.505 10.020 1.00 0.00 C ATOM 1122 O GLN A 75 -8.791 8.587 10.813 1.00 0.00 O ATOM 1123 CB GLN A 75 -10.508 10.674 11.506 1.00 0.00 C ATOM 1124 CG GLN A 75 -11.574 11.771 11.554 1.00 0.00 C ATOM 1125 CD GLN A 75 -11.914 12.091 13.011 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -11.058 12.041 13.872 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -13.137 12.421 13.326 1.00 0.00 N ATOM 0 H GLN A 75 -11.523 10.712 8.601 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.590 11.462 9.683 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.928 9.729 11.851 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.686 10.922 12.178 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.212 12.667 11.049 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.469 11.446 11.024 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.856 12.463 12.604 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.374 12.637 14.294 1.00 0.00 H new ATOM 1136 N GLY A 76 -7.946 9.660 9.094 1.00 0.00 N ATOM 1137 CA GLY A 76 -6.809 8.701 8.997 1.00 0.00 C ATOM 1138 C GLY A 76 -5.834 8.952 10.150 1.00 0.00 C ATOM 1139 O GLY A 76 -6.235 9.144 11.281 1.00 0.00 O ATOM 0 H GLY A 76 -7.944 10.408 8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.179 7.676 9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.298 8.820 8.041 1.00 0.00 H new ATOM 1143 N GLY A 77 -4.558 8.954 9.875 1.00 0.00 N ATOM 1144 CA GLY A 77 -3.562 9.197 10.959 1.00 0.00 C ATOM 1145 C GLY A 77 -3.082 7.861 11.527 1.00 0.00 C ATOM 1146 O GLY A 77 -2.781 7.745 12.698 1.00 0.00 O ATOM 0 H GLY A 77 -4.162 8.798 8.948 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.716 9.762 10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.010 9.799 11.749 1.00 0.00 H new ATOM 1150 N GLN A 78 -3.004 6.850 10.706 1.00 0.00 N ATOM 1151 CA GLN A 78 -2.539 5.523 11.199 1.00 0.00 C ATOM 1152 C GLN A 78 -1.656 4.853 10.145 1.00 0.00 C ATOM 1153 O GLN A 78 -1.922 4.926 8.961 1.00 0.00 O ATOM 1154 CB GLN A 78 -3.816 4.713 11.426 1.00 0.00 C ATOM 1155 CG GLN A 78 -4.187 4.748 12.910 1.00 0.00 C ATOM 1156 CD GLN A 78 -4.586 3.346 13.371 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -5.662 3.151 13.903 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -3.759 2.353 13.191 1.00 0.00 N ATOM 0 H GLN A 78 -3.242 6.886 9.715 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.944 5.604 12.109 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.630 5.122 10.827 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.668 3.683 11.102 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.343 5.109 13.498 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.010 5.444 13.073 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.856 2.516 12.745 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.015 1.414 13.496 1.00 0.00 H new ATOM 1167 N GLY A 79 -0.603 4.201 10.564 1.00 0.00 N ATOM 1168 CA GLY A 79 0.305 3.527 9.587 1.00 0.00 C ATOM 1169 C GLY A 79 -0.516 2.676 8.612 1.00 0.00 C ATOM 1170 O GLY A 79 -1.551 2.142 8.958 1.00 0.00 O ATOM 0 H GLY A 79 -0.332 4.106 11.543 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.880 4.273 9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.022 2.899 10.117 1.00 0.00 H new ATOM 1174 N LEU A 80 -0.061 2.549 7.396 1.00 0.00 N ATOM 1175 CA LEU A 80 -0.815 1.737 6.396 1.00 0.00 C ATOM 1176 C LEU A 80 -0.323 0.286 6.411 1.00 0.00 C ATOM 1177 O LEU A 80 -1.016 -0.613 6.848 1.00 0.00 O ATOM 1178 CB LEU A 80 -0.506 2.387 5.046 1.00 0.00 C ATOM 1179 CG LEU A 80 -1.302 3.686 4.905 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -0.448 4.730 4.184 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -2.571 3.420 4.094 1.00 0.00 C ATOM 0 H LEU A 80 0.800 2.972 7.050 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.884 1.714 6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.561 2.593 4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.760 1.704 4.236 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.573 4.056 5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.014 5.656 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.458 4.919 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.179 4.360 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.139 4.345 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.300 3.051 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.180 2.674 4.605 1.00 0.00 H new ATOM 1193 N ILE A 81 0.866 0.055 5.929 1.00 0.00 N ATOM 1194 CA ILE A 81 1.410 -1.333 5.904 1.00 0.00 C ATOM 1195 C ILE A 81 2.939 -1.300 5.970 1.00 0.00 C ATOM 1196 O ILE A 81 3.565 -0.333 5.586 1.00 0.00 O ATOM 1197 CB ILE A 81 0.941 -1.918 4.571 1.00 0.00 C ATOM 1198 CG1 ILE A 81 1.429 -1.032 3.420 1.00 0.00 C ATOM 1199 CG2 ILE A 81 -0.586 -1.985 4.551 1.00 0.00 C ATOM 1200 CD1 ILE A 81 2.778 -1.545 2.916 1.00 0.00 C ATOM 0 H ILE A 81 1.487 0.770 5.550 1.00 0.00 H new ATOM 0 HA ILE A 81 1.068 -1.928 6.751 1.00 0.00 H new ATOM 0 HB ILE A 81 1.350 -2.921 4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.700 -1.037 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.524 0.000 3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.919 -2.402 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.933 -2.619 5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.996 -0.982 4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.124 -0.914 2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.504 -1.517 3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.668 -2.570 2.563 1.00 0.00 H new ATOM 1212 N LYS A 82 3.545 -2.350 6.453 1.00 0.00 N ATOM 1213 CA LYS A 82 5.033 -2.374 6.542 1.00 0.00 C ATOM 1214 C LYS A 82 5.647 -2.328 5.141 1.00 0.00 C ATOM 1215 O LYS A 82 5.273 -3.082 4.264 1.00 0.00 O ATOM 1216 CB LYS A 82 5.369 -3.696 7.231 1.00 0.00 C ATOM 1217 CG LYS A 82 6.671 -3.545 8.019 1.00 0.00 C ATOM 1218 CD LYS A 82 6.351 -3.390 9.506 1.00 0.00 C ATOM 1219 CE LYS A 82 7.269 -2.330 10.118 1.00 0.00 C ATOM 1220 NZ LYS A 82 8.542 -3.047 10.410 1.00 0.00 N ATOM 0 H LYS A 82 3.075 -3.191 6.789 1.00 0.00 H new ATOM 0 HA LYS A 82 5.427 -1.518 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.559 -3.986 7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.470 -4.489 6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.307 -4.416 7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.226 -2.677 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.308 -3.102 9.636 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.485 -4.342 10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.431 -1.502 9.428 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.836 -1.909 11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.224 -2.385 10.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.357 -3.825 11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.934 -3.431 9.527 1.00 0.00 H new ATOM 1234 N ILE A 83 6.586 -1.449 4.923 1.00 0.00 N ATOM 1235 CA ILE A 83 7.222 -1.357 3.578 1.00 0.00 C ATOM 1236 C ILE A 83 8.670 -0.876 3.707 1.00 0.00 C ATOM 1237 O ILE A 83 9.246 -0.354 2.772 1.00 0.00 O ATOM 1238 CB ILE A 83 6.376 -0.338 2.811 1.00 0.00 C ATOM 1239 CG1 ILE A 83 6.885 -0.240 1.372 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.483 1.032 3.484 1.00 0.00 C ATOM 1241 CD1 ILE A 83 5.728 -0.496 0.404 1.00 0.00 C ATOM 0 H ILE A 83 6.940 -0.791 5.617 1.00 0.00 H new ATOM 0 HA ILE A 83 7.257 -2.320 3.069 1.00 0.00 H new ATOM 0 HB ILE A 83 5.334 -0.658 2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.312 0.747 1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.680 -0.967 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.879 1.755 2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 83 6.122 0.962 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 83 7.524 1.356 3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.090 -0.426 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.321 -1.492 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.948 0.248 0.565 1.00 0.00 H new ATOM 1253 N GLY A 84 9.262 -1.044 4.857 1.00 0.00 N ATOM 1254 CA GLY A 84 10.670 -0.595 5.043 1.00 0.00 C ATOM 1255 C GLY A 84 11.603 -1.483 4.217 1.00 0.00 C ATOM 1256 O GLY A 84 11.712 -1.248 3.025 1.00 0.00 O ATOM 1257 OXT GLY A 84 12.192 -2.386 4.790 1.00 0.00 O ATOM 0 H GLY A 84 8.831 -1.473 5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.775 0.445 4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.942 -0.645 6.097 1.00 0.00 H new