USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 SER OG : rot 141:sc= -1.38 USER MOD Set 1.2: A 75 GLN : amide:sc= -3.24 K(o=-4.6,f=-7.6!) USER MOD Single : A 25 THR OG1 : rot 79:sc= -1.43! 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 :FLIP amide:sc=-0.00139 F(o=-0.65,f=-0.0014) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 33:sc= 0.166 USER MOD Single : A 56 ASN : amide:sc= -0.0848 K(o=-0.085,f=-3.9!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 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 78 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.4!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 189 N ALA A 13 1.767 3.676 14.730 1.00 0.00 N ATOM 190 CA ALA A 13 2.356 3.216 13.438 1.00 0.00 C ATOM 191 C ALA A 13 3.208 1.964 13.668 1.00 0.00 C ATOM 192 O ALA A 13 3.137 1.338 14.707 1.00 0.00 O ATOM 193 CB ALA A 13 3.221 4.381 12.955 1.00 0.00 C ATOM 0 HA ALA A 13 1.594 2.951 12.705 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.689 4.118 12.007 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.598 5.265 12.819 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.993 4.592 13.695 1.00 0.00 H new ATOM 199 N GLY A 14 4.010 1.592 12.708 1.00 0.00 N ATOM 200 CA GLY A 14 4.860 0.379 12.879 1.00 0.00 C ATOM 201 C GLY A 14 6.321 0.731 12.593 1.00 0.00 C ATOM 202 O GLY A 14 7.110 -0.113 12.215 1.00 0.00 O ATOM 0 H GLY A 14 4.114 2.074 11.815 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.760 -0.007 13.893 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.527 -0.409 12.204 1.00 0.00 H new ATOM 206 N GLU A 15 6.688 1.969 12.771 1.00 0.00 N ATOM 207 CA GLU A 15 8.100 2.375 12.510 1.00 0.00 C ATOM 208 C GLU A 15 8.523 1.949 11.102 1.00 0.00 C ATOM 209 O GLU A 15 9.691 1.753 10.827 1.00 0.00 O ATOM 210 CB GLU A 15 8.925 1.636 13.564 1.00 0.00 C ATOM 211 CG GLU A 15 10.011 2.566 14.106 1.00 0.00 C ATOM 212 CD GLU A 15 11.369 1.869 14.019 1.00 0.00 C ATOM 213 OE1 GLU A 15 11.495 0.788 14.571 1.00 0.00 O ATOM 214 OE2 GLU A 15 12.261 2.428 13.400 1.00 0.00 O ATOM 0 H GLU A 15 6.072 2.719 13.086 1.00 0.00 H new ATOM 0 HA GLU A 15 8.236 3.455 12.568 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.280 1.300 14.376 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.378 0.746 13.128 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.029 3.494 13.534 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.793 2.833 15.140 1.00 0.00 H new ATOM 221 N GLY A 16 7.584 1.804 10.209 1.00 0.00 N ATOM 222 CA GLY A 16 7.932 1.391 8.820 1.00 0.00 C ATOM 223 C GLY A 16 6.659 1.326 7.977 1.00 0.00 C ATOM 224 O GLY A 16 6.398 0.350 7.301 1.00 0.00 O ATOM 0 H GLY A 16 6.590 1.954 10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.635 2.100 8.383 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.425 0.419 8.830 1.00 0.00 H new ATOM 228 N GLU A 17 5.861 2.359 8.013 1.00 0.00 N ATOM 229 CA GLU A 17 4.601 2.358 7.217 1.00 0.00 C ATOM 230 C GLU A 17 4.335 3.754 6.647 1.00 0.00 C ATOM 231 O GLU A 17 5.122 4.665 6.818 1.00 0.00 O ATOM 232 CB GLU A 17 3.508 1.969 8.213 1.00 0.00 C ATOM 233 CG GLU A 17 3.509 2.958 9.381 1.00 0.00 C ATOM 234 CD GLU A 17 2.305 2.685 10.285 1.00 0.00 C ATOM 235 OE1 GLU A 17 2.144 1.548 10.696 1.00 0.00 O ATOM 236 OE2 GLU A 17 1.565 3.618 10.551 1.00 0.00 O ATOM 0 H GLU A 17 6.028 3.204 8.560 1.00 0.00 H new ATOM 0 HA GLU A 17 4.646 1.673 6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.535 1.971 7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.678 0.957 8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.433 2.863 9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.470 3.980 9.005 1.00 0.00 H new ATOM 243 N ILE A 18 3.232 3.931 5.974 1.00 0.00 N ATOM 244 CA ILE A 18 2.915 5.269 5.398 1.00 0.00 C ATOM 245 C ILE A 18 1.554 5.755 5.911 1.00 0.00 C ATOM 246 O ILE A 18 0.533 5.463 5.319 1.00 0.00 O ATOM 247 CB ILE A 18 2.872 5.049 3.885 1.00 0.00 C ATOM 248 CG1 ILE A 18 4.249 4.591 3.400 1.00 0.00 C ATOM 249 CG2 ILE A 18 2.499 6.360 3.191 1.00 0.00 C ATOM 250 CD1 ILE A 18 4.230 3.080 3.162 1.00 0.00 C ATOM 0 H ILE A 18 2.536 3.207 5.798 1.00 0.00 H new ATOM 0 HA ILE A 18 3.649 6.025 5.678 1.00 0.00 H new ATOM 0 HB ILE A 18 2.129 4.287 3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.514 5.111 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.009 4.844 4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.468 6.205 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.520 6.690 3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.243 7.121 3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.211 2.754 2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.984 2.568 4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.481 2.840 2.407 1.00 0.00 H new ATOM 262 N PRO A 19 1.580 6.482 7.001 1.00 0.00 N ATOM 263 CA PRO A 19 0.323 7.005 7.592 1.00 0.00 C ATOM 264 C PRO A 19 -0.261 8.120 6.722 1.00 0.00 C ATOM 265 O PRO A 19 0.442 9.008 6.281 1.00 0.00 O ATOM 266 CB PRO A 19 0.758 7.544 8.951 1.00 0.00 C ATOM 267 CG PRO A 19 2.214 7.852 8.796 1.00 0.00 C ATOM 268 CD PRO A 19 2.761 6.884 7.779 1.00 0.00 C ATOM 0 HA PRO A 19 -0.456 6.247 7.671 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.192 8.436 9.222 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.591 6.809 9.739 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.358 8.881 8.466 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.734 7.747 9.748 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.515 7.353 7.147 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.235 6.027 8.258 1.00 0.00 H new ATOM 276 N ALA A 20 -1.542 8.081 6.475 1.00 0.00 N ATOM 277 CA ALA A 20 -2.169 9.142 5.636 1.00 0.00 C ATOM 278 C ALA A 20 -2.343 10.427 6.455 1.00 0.00 C ATOM 279 O ALA A 20 -2.647 10.371 7.631 1.00 0.00 O ATOM 280 CB ALA A 20 -3.530 8.576 5.229 1.00 0.00 C ATOM 0 H ALA A 20 -2.180 7.362 6.817 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.560 9.397 4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.055 9.301 4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.387 7.653 4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.120 8.370 6.122 1.00 0.00 H new ATOM 286 N PRO A 21 -2.140 11.550 5.811 1.00 0.00 N ATOM 287 CA PRO A 21 -2.280 12.854 6.506 1.00 0.00 C ATOM 288 C PRO A 21 -3.756 13.158 6.775 1.00 0.00 C ATOM 289 O PRO A 21 -4.103 13.781 7.758 1.00 0.00 O ATOM 290 CB PRO A 21 -1.688 13.855 5.517 1.00 0.00 C ATOM 291 CG PRO A 21 -1.832 13.206 4.177 1.00 0.00 C ATOM 292 CD PRO A 21 -1.772 11.717 4.398 1.00 0.00 C ATOM 0 HA PRO A 21 -1.783 12.879 7.476 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.218 14.807 5.554 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.643 14.063 5.744 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.776 13.489 3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.036 13.528 3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.462 11.188 3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.776 11.324 4.196 1.00 0.00 H new ATOM 300 N LEU A 22 -4.627 12.720 5.908 1.00 0.00 N ATOM 301 CA LEU A 22 -6.080 12.982 6.114 1.00 0.00 C ATOM 302 C LEU A 22 -6.843 11.661 6.249 1.00 0.00 C ATOM 303 O LEU A 22 -6.394 10.626 5.799 1.00 0.00 O ATOM 304 CB LEU A 22 -6.529 13.736 4.863 1.00 0.00 C ATOM 305 CG LEU A 22 -7.977 14.195 5.034 1.00 0.00 C ATOM 306 CD1 LEU A 22 -8.123 15.627 4.516 1.00 0.00 C ATOM 307 CD2 LEU A 22 -8.902 13.268 4.240 1.00 0.00 C ATOM 0 H LEU A 22 -4.396 12.192 5.066 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.271 13.552 7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.882 14.596 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.442 13.093 3.987 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.247 14.162 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.155 15.954 4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.464 16.287 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.854 15.661 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.935 13.594 4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.632 13.302 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.798 12.248 4.609 1.00 0.00 H new ATOM 319 N ALA A 23 -7.990 11.690 6.869 1.00 0.00 N ATOM 320 CA ALA A 23 -8.780 10.436 7.037 1.00 0.00 C ATOM 321 C ALA A 23 -9.156 9.851 5.673 1.00 0.00 C ATOM 322 O ALA A 23 -8.873 10.425 4.640 1.00 0.00 O ATOM 323 CB ALA A 23 -10.034 10.860 7.802 1.00 0.00 C ATOM 0 H ALA A 23 -8.415 12.527 7.267 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.218 9.665 7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.671 9.991 7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.747 11.287 8.763 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.579 11.605 7.222 1.00 0.00 H new ATOM 329 N GLY A 24 -9.795 8.712 5.664 1.00 0.00 N ATOM 330 CA GLY A 24 -10.194 8.086 4.371 1.00 0.00 C ATOM 331 C GLY A 24 -11.421 7.200 4.595 1.00 0.00 C ATOM 332 O GLY A 24 -11.585 6.608 5.643 1.00 0.00 O ATOM 0 H GLY A 24 -10.058 8.187 6.498 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.418 8.857 3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.371 7.493 3.972 1.00 0.00 H new ATOM 336 N THR A 25 -12.286 7.108 3.622 1.00 0.00 N ATOM 337 CA THR A 25 -13.507 6.262 3.787 1.00 0.00 C ATOM 338 C THR A 25 -13.128 4.770 3.848 1.00 0.00 C ATOM 339 O THR A 25 -12.134 4.404 4.442 1.00 0.00 O ATOM 340 CB THR A 25 -14.369 6.570 2.556 1.00 0.00 C ATOM 341 OG1 THR A 25 -14.164 7.918 2.159 1.00 0.00 O ATOM 342 CG2 THR A 25 -15.846 6.364 2.898 1.00 0.00 C ATOM 0 H THR A 25 -12.202 7.580 2.722 1.00 0.00 H new ATOM 0 HA THR A 25 -14.039 6.476 4.714 1.00 0.00 H new ATOM 0 HB THR A 25 -14.087 5.901 1.743 1.00 0.00 H new ATOM 0 HG1 THR A 25 -13.321 7.989 1.664 1.00 0.00 H new ATOM 0 HG21 THR A 25 -16.456 6.583 2.022 1.00 0.00 H new ATOM 0 HG22 THR A 25 -16.008 5.330 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 25 -16.127 7.031 3.713 1.00 0.00 H new ATOM 350 N VAL A 26 -13.928 3.913 3.254 1.00 0.00 N ATOM 351 CA VAL A 26 -13.655 2.438 3.276 1.00 0.00 C ATOM 352 C VAL A 26 -12.160 2.114 3.141 1.00 0.00 C ATOM 353 O VAL A 26 -11.633 1.296 3.868 1.00 0.00 O ATOM 354 CB VAL A 26 -14.430 1.875 2.080 1.00 0.00 C ATOM 355 CG1 VAL A 26 -15.931 2.006 2.345 1.00 0.00 C ATOM 356 CG2 VAL A 26 -14.066 2.642 0.805 1.00 0.00 C ATOM 0 H VAL A 26 -14.772 4.178 2.747 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.963 2.002 4.227 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.168 0.825 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.486 1.607 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.192 1.448 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -16.186 3.057 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.623 2.232 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.318 3.695 0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.997 2.545 0.615 1.00 0.00 H new ATOM 366 N SER A 27 -11.469 2.732 2.218 1.00 0.00 N ATOM 367 CA SER A 27 -10.013 2.431 2.054 1.00 0.00 C ATOM 368 C SER A 27 -9.820 0.955 1.699 1.00 0.00 C ATOM 369 O SER A 27 -8.920 0.300 2.186 1.00 0.00 O ATOM 370 CB SER A 27 -9.368 2.749 3.406 1.00 0.00 C ATOM 371 OG SER A 27 -8.391 3.767 3.232 1.00 0.00 O ATOM 0 H SER A 27 -11.846 3.428 1.574 1.00 0.00 H new ATOM 0 HA SER A 27 -9.564 3.017 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.127 3.075 4.117 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.907 1.853 3.822 1.00 0.00 H new ATOM 0 HG SER A 27 -8.424 4.385 3.992 1.00 0.00 H new ATOM 377 N LYS A 28 -10.660 0.425 0.851 1.00 0.00 N ATOM 378 CA LYS A 28 -10.523 -1.007 0.463 1.00 0.00 C ATOM 379 C LYS A 28 -9.113 -1.271 -0.069 1.00 0.00 C ATOM 380 O LYS A 28 -8.755 -0.846 -1.148 1.00 0.00 O ATOM 381 CB LYS A 28 -11.564 -1.218 -0.639 1.00 0.00 C ATOM 382 CG LYS A 28 -12.801 -1.900 -0.049 1.00 0.00 C ATOM 383 CD LYS A 28 -13.024 -3.245 -0.745 1.00 0.00 C ATOM 384 CE LYS A 28 -14.359 -3.838 -0.290 1.00 0.00 C ATOM 385 NZ LYS A 28 -15.128 -4.059 -1.547 1.00 0.00 N ATOM 0 H LYS A 28 -11.434 0.922 0.411 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.679 -1.684 1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.840 -0.261 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.145 -1.830 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.670 -2.050 1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.676 -1.263 -0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.023 -3.112 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.210 -3.929 -0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.212 -4.772 0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.885 -3.159 0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.058 -4.465 -1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.258 -3.152 -2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.606 -4.715 -2.163 1.00 0.00 H new ATOM 399 N ILE A 29 -8.308 -1.969 0.685 1.00 0.00 N ATOM 400 CA ILE A 29 -6.919 -2.256 0.227 1.00 0.00 C ATOM 401 C ILE A 29 -6.940 -3.084 -1.061 1.00 0.00 C ATOM 402 O ILE A 29 -7.465 -4.179 -1.098 1.00 0.00 O ATOM 403 CB ILE A 29 -6.282 -3.049 1.371 1.00 0.00 C ATOM 404 CG1 ILE A 29 -4.811 -3.319 1.046 1.00 0.00 C ATOM 405 CG2 ILE A 29 -7.015 -4.381 1.547 1.00 0.00 C ATOM 406 CD1 ILE A 29 -4.169 -4.091 2.200 1.00 0.00 C ATOM 0 H ILE A 29 -8.552 -2.353 1.598 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.363 -1.346 0.003 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.354 -2.472 2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.730 -3.891 0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.284 -2.378 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.559 -4.943 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.063 -4.192 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.946 -4.959 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.121 -4.284 1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.237 -3.502 3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.691 -5.038 2.339 1.00 0.00 H new ATOM 418 N LEU A 30 -6.368 -2.571 -2.115 1.00 0.00 N ATOM 419 CA LEU A 30 -6.349 -3.330 -3.398 1.00 0.00 C ATOM 420 C LEU A 30 -5.120 -4.242 -3.454 1.00 0.00 C ATOM 421 O LEU A 30 -5.063 -5.175 -4.229 1.00 0.00 O ATOM 422 CB LEU A 30 -6.274 -2.262 -4.490 1.00 0.00 C ATOM 423 CG LEU A 30 -7.362 -2.521 -5.534 1.00 0.00 C ATOM 424 CD1 LEU A 30 -7.165 -3.911 -6.143 1.00 0.00 C ATOM 425 CD2 LEU A 30 -8.738 -2.447 -4.867 1.00 0.00 C ATOM 0 H LEU A 30 -5.913 -1.659 -2.144 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.225 -3.969 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.402 -1.271 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.292 -2.278 -4.962 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.298 -1.768 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.940 -4.096 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.186 -3.964 -6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.229 -4.665 -5.358 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.513 -2.631 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.802 -3.200 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.879 -1.457 -4.433 1.00 0.00 H new ATOM 437 N VAL A 31 -4.134 -3.979 -2.636 1.00 0.00 N ATOM 438 CA VAL A 31 -2.911 -4.831 -2.646 1.00 0.00 C ATOM 439 C VAL A 31 -3.052 -5.976 -1.639 1.00 0.00 C ATOM 440 O VAL A 31 -3.965 -6.001 -0.837 1.00 0.00 O ATOM 441 CB VAL A 31 -1.770 -3.893 -2.244 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.001 -3.374 -0.820 1.00 0.00 C ATOM 443 CG2 VAL A 31 -0.444 -4.653 -2.298 1.00 0.00 C ATOM 0 H VAL A 31 -4.124 -3.212 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.735 -5.289 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.738 -3.050 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.186 -2.707 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.945 -2.831 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.037 -4.215 -0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.369 -3.986 -2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.480 -5.497 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.275 -5.018 -3.311 1.00 0.00 H new ATOM 453 N LYS A 32 -2.156 -6.922 -1.675 1.00 0.00 N ATOM 454 CA LYS A 32 -2.236 -8.066 -0.722 1.00 0.00 C ATOM 455 C LYS A 32 -0.934 -8.179 0.077 1.00 0.00 C ATOM 456 O LYS A 32 0.097 -7.679 -0.325 1.00 0.00 O ATOM 457 CB LYS A 32 -2.431 -9.301 -1.602 1.00 0.00 C ATOM 458 CG LYS A 32 -2.793 -10.502 -0.729 1.00 0.00 C ATOM 459 CD LYS A 32 -2.929 -11.748 -1.608 1.00 0.00 C ATOM 460 CE LYS A 32 -3.877 -12.745 -0.940 1.00 0.00 C ATOM 461 NZ LYS A 32 -4.584 -13.415 -2.067 1.00 0.00 N ATOM 0 H LYS A 32 -1.370 -6.953 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.044 -7.947 -0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.220 -9.119 -2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.519 -9.508 -2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.025 -10.660 0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.727 -10.313 -0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.309 -11.472 -2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.952 -12.206 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.329 -13.466 -0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.580 -12.239 -0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.254 -14.115 -1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.102 -12.705 -2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.890 -13.893 -2.677 1.00 0.00 H new ATOM 475 N GLU A 33 -0.974 -8.834 1.204 1.00 0.00 N ATOM 476 CA GLU A 33 0.264 -8.979 2.024 1.00 0.00 C ATOM 477 C GLU A 33 1.255 -9.910 1.323 1.00 0.00 C ATOM 478 O GLU A 33 0.875 -10.887 0.706 1.00 0.00 O ATOM 479 CB GLU A 33 -0.205 -9.589 3.345 1.00 0.00 C ATOM 480 CG GLU A 33 0.928 -9.521 4.371 1.00 0.00 C ATOM 481 CD GLU A 33 1.022 -10.853 5.116 1.00 0.00 C ATOM 482 OE1 GLU A 33 0.015 -11.534 5.202 1.00 0.00 O ATOM 483 OE2 GLU A 33 2.103 -11.168 5.589 1.00 0.00 O ATOM 0 H GLU A 33 -1.808 -9.275 1.593 1.00 0.00 H new ATOM 0 HA GLU A 33 0.775 -8.028 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.078 -9.052 3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.509 -10.624 3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.872 -9.304 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.746 -8.710 5.076 1.00 0.00 H new ATOM 490 N GLY A 34 2.523 -9.614 1.407 1.00 0.00 N ATOM 491 CA GLY A 34 3.536 -10.480 0.742 1.00 0.00 C ATOM 492 C GLY A 34 3.577 -10.167 -0.755 1.00 0.00 C ATOM 493 O GLY A 34 4.052 -10.953 -1.551 1.00 0.00 O ATOM 0 H GLY A 34 2.901 -8.810 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.518 -10.314 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.289 -11.530 0.897 1.00 0.00 H new ATOM 497 N ASP A 35 3.086 -9.023 -1.148 1.00 0.00 N ATOM 498 CA ASP A 35 3.102 -8.662 -2.593 1.00 0.00 C ATOM 499 C ASP A 35 4.092 -7.520 -2.833 1.00 0.00 C ATOM 500 O ASP A 35 4.387 -6.747 -1.945 1.00 0.00 O ATOM 501 CB ASP A 35 1.675 -8.211 -2.905 1.00 0.00 C ATOM 502 CG ASP A 35 1.239 -8.789 -4.254 1.00 0.00 C ATOM 503 OD1 ASP A 35 2.091 -8.946 -5.113 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.060 -9.064 -4.404 1.00 0.00 O ATOM 0 H ASP A 35 2.675 -8.323 -0.530 1.00 0.00 H new ATOM 0 HA ASP A 35 3.411 -9.493 -3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.997 -8.544 -2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.624 -7.122 -2.930 1.00 0.00 H new ATOM 509 N THR A 36 4.610 -7.411 -4.025 1.00 0.00 N ATOM 510 CA THR A 36 5.584 -6.319 -4.311 1.00 0.00 C ATOM 511 C THR A 36 4.872 -5.128 -4.960 1.00 0.00 C ATOM 512 O THR A 36 4.429 -5.198 -6.088 1.00 0.00 O ATOM 513 CB THR A 36 6.596 -6.935 -5.280 1.00 0.00 C ATOM 514 OG1 THR A 36 6.786 -8.305 -4.954 1.00 0.00 O ATOM 515 CG2 THR A 36 7.927 -6.190 -5.170 1.00 0.00 C ATOM 0 H THR A 36 4.403 -8.028 -4.811 1.00 0.00 H new ATOM 0 HA THR A 36 6.062 -5.945 -3.406 1.00 0.00 H new ATOM 0 HB THR A 36 6.222 -6.854 -6.300 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.432 -8.702 -5.574 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.648 -6.629 -5.860 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.778 -5.140 -5.420 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.306 -6.270 -4.151 1.00 0.00 H new ATOM 523 N VAL A 37 4.761 -4.035 -4.254 1.00 0.00 N ATOM 524 CA VAL A 37 4.079 -2.840 -4.832 1.00 0.00 C ATOM 525 C VAL A 37 5.050 -2.062 -5.723 1.00 0.00 C ATOM 526 O VAL A 37 6.252 -2.161 -5.581 1.00 0.00 O ATOM 527 CB VAL A 37 3.660 -1.998 -3.626 1.00 0.00 C ATOM 528 CG1 VAL A 37 2.690 -2.800 -2.755 1.00 0.00 C ATOM 529 CG2 VAL A 37 4.897 -1.630 -2.806 1.00 0.00 C ATOM 0 H VAL A 37 5.112 -3.917 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 37 3.224 -3.110 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 37 3.170 -1.088 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.391 -2.200 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.808 -3.062 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.179 -3.711 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.598 -1.030 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.388 -2.540 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.587 -1.058 -3.426 1.00 0.00 H new ATOM 539 N LYS A 38 4.539 -1.288 -6.642 1.00 0.00 N ATOM 540 CA LYS A 38 5.439 -0.507 -7.540 1.00 0.00 C ATOM 541 C LYS A 38 5.169 0.992 -7.389 1.00 0.00 C ATOM 542 O LYS A 38 4.126 1.400 -6.915 1.00 0.00 O ATOM 543 CB LYS A 38 5.091 -0.974 -8.954 1.00 0.00 C ATOM 544 CG LYS A 38 6.169 -0.493 -9.928 1.00 0.00 C ATOM 545 CD LYS A 38 5.790 -0.900 -11.353 1.00 0.00 C ATOM 546 CE LYS A 38 7.056 -1.275 -12.129 1.00 0.00 C ATOM 547 NZ LYS A 38 6.573 -2.078 -13.288 1.00 0.00 N ATOM 0 H LYS A 38 3.541 -1.163 -6.810 1.00 0.00 H new ATOM 0 HA LYS A 38 6.492 -0.664 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.019 -2.061 -8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.118 -0.582 -9.249 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.274 0.590 -9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.134 -0.924 -9.660 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.101 -1.744 -11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.274 -0.080 -11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.594 -0.387 -12.461 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.743 -1.850 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.384 -2.372 -13.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.071 -2.920 -12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.926 -1.502 -13.864 1.00 0.00 H new ATOM 561 N ALA A 39 6.100 1.815 -7.787 1.00 0.00 N ATOM 562 CA ALA A 39 5.894 3.286 -7.666 1.00 0.00 C ATOM 563 C ALA A 39 4.813 3.750 -8.645 1.00 0.00 C ATOM 564 O ALA A 39 5.064 3.941 -9.818 1.00 0.00 O ATOM 565 CB ALA A 39 7.245 3.908 -8.028 1.00 0.00 C ATOM 0 H ALA A 39 6.993 1.533 -8.190 1.00 0.00 H new ATOM 0 HA ALA A 39 5.566 3.575 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.175 4.994 -7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.007 3.551 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.516 3.623 -9.044 1.00 0.00 H new ATOM 571 N GLY A 40 3.611 3.937 -8.173 1.00 0.00 N ATOM 572 CA GLY A 40 2.520 4.390 -9.082 1.00 0.00 C ATOM 573 C GLY A 40 1.517 3.255 -9.293 1.00 0.00 C ATOM 574 O GLY A 40 1.114 2.967 -10.403 1.00 0.00 O ATOM 0 H GLY A 40 3.338 3.796 -7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.017 5.258 -8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.938 4.701 -10.039 1.00 0.00 H new ATOM 578 N GLN A 41 1.106 2.610 -8.236 1.00 0.00 N ATOM 579 CA GLN A 41 0.125 1.494 -8.373 1.00 0.00 C ATOM 580 C GLN A 41 -0.960 1.623 -7.302 1.00 0.00 C ATOM 581 O GLN A 41 -0.694 1.513 -6.122 1.00 0.00 O ATOM 582 CB GLN A 41 0.942 0.220 -8.163 1.00 0.00 C ATOM 583 CG GLN A 41 0.188 -0.975 -8.750 1.00 0.00 C ATOM 584 CD GLN A 41 0.973 -2.259 -8.474 1.00 0.00 C ATOM 585 OE1 GLN A 41 1.465 -2.465 -7.284 1.00 0.00 O flip ATOM 586 NE2 GLN A 41 1.139 -3.084 -9.351 1.00 0.00 N flip ATOM 0 H GLN A 41 1.407 2.807 -7.282 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.378 1.496 -9.340 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.917 0.318 -8.641 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.122 0.063 -7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.807 -1.043 -8.310 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.053 -0.842 -9.823 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.754 -2.923 -10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.663 -3.937 -9.156 1.00 0.00 H new ATOM 595 N THR A 42 -2.179 1.867 -7.700 1.00 0.00 N ATOM 596 CA THR A 42 -3.270 2.013 -6.696 1.00 0.00 C ATOM 597 C THR A 42 -3.339 0.776 -5.791 1.00 0.00 C ATOM 598 O THR A 42 -3.806 -0.276 -6.181 1.00 0.00 O ATOM 599 CB THR A 42 -4.557 2.177 -7.512 1.00 0.00 C ATOM 600 OG1 THR A 42 -5.639 2.456 -6.634 1.00 0.00 O ATOM 601 CG2 THR A 42 -4.852 0.894 -8.290 1.00 0.00 C ATOM 0 H THR A 42 -2.466 1.971 -8.673 1.00 0.00 H new ATOM 0 HA THR A 42 -3.107 2.866 -6.037 1.00 0.00 H new ATOM 0 HB THR A 42 -4.431 3.000 -8.216 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.463 2.563 -7.154 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.768 1.021 -8.867 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.024 0.680 -8.966 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.974 0.065 -7.592 1.00 0.00 H new ATOM 609 N VAL A 43 -2.880 0.896 -4.579 1.00 0.00 N ATOM 610 CA VAL A 43 -2.928 -0.266 -3.648 1.00 0.00 C ATOM 611 C VAL A 43 -4.051 -0.077 -2.622 1.00 0.00 C ATOM 612 O VAL A 43 -4.257 -0.907 -1.758 1.00 0.00 O ATOM 613 CB VAL A 43 -1.562 -0.287 -2.959 1.00 0.00 C ATOM 614 CG1 VAL A 43 -0.472 -0.550 -3.998 1.00 0.00 C ATOM 615 CG2 VAL A 43 -1.306 1.060 -2.281 1.00 0.00 C ATOM 0 H VAL A 43 -2.474 1.747 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.130 -1.202 -4.169 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.548 -1.077 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.502 -0.565 -3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.652 -1.512 -4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.488 0.239 -4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.332 1.042 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.321 1.853 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.082 1.247 -1.539 1.00 0.00 H new ATOM 625 N LEU A 44 -4.784 1.005 -2.705 1.00 0.00 N ATOM 626 CA LEU A 44 -5.891 1.225 -1.725 1.00 0.00 C ATOM 627 C LEU A 44 -7.032 2.014 -2.374 1.00 0.00 C ATOM 628 O LEU A 44 -6.840 2.721 -3.342 1.00 0.00 O ATOM 629 CB LEU A 44 -5.260 2.028 -0.587 1.00 0.00 C ATOM 630 CG LEU A 44 -5.796 1.522 0.753 1.00 0.00 C ATOM 631 CD1 LEU A 44 -4.637 1.378 1.742 1.00 0.00 C ATOM 632 CD2 LEU A 44 -6.816 2.521 1.303 1.00 0.00 C ATOM 0 H LEU A 44 -4.665 1.740 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.320 0.287 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.175 1.930 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.488 3.087 -0.705 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.276 0.554 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.017 1.017 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.910 0.667 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.158 2.347 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.199 2.161 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.336 3.489 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.640 2.625 0.598 1.00 0.00 H new ATOM 644 N VAL A 45 -8.222 1.895 -1.846 1.00 0.00 N ATOM 645 CA VAL A 45 -9.378 2.634 -2.433 1.00 0.00 C ATOM 646 C VAL A 45 -9.975 3.595 -1.398 1.00 0.00 C ATOM 647 O VAL A 45 -10.735 3.200 -0.532 1.00 0.00 O ATOM 648 CB VAL A 45 -10.387 1.548 -2.806 1.00 0.00 C ATOM 649 CG1 VAL A 45 -11.672 2.197 -3.325 1.00 0.00 C ATOM 650 CG2 VAL A 45 -9.791 0.652 -3.894 1.00 0.00 C ATOM 0 H VAL A 45 -8.443 1.318 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.091 3.238 -3.294 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.616 0.948 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.390 1.421 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.097 2.834 -2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.446 2.799 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.509 -0.123 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.561 1.252 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.877 0.188 -3.523 1.00 0.00 H new ATOM 660 N LEU A 46 -9.637 4.854 -1.481 1.00 0.00 N ATOM 661 CA LEU A 46 -10.182 5.838 -0.503 1.00 0.00 C ATOM 662 C LEU A 46 -11.252 6.708 -1.168 1.00 0.00 C ATOM 663 O LEU A 46 -11.219 6.949 -2.356 1.00 0.00 O ATOM 664 CB LEU A 46 -8.978 6.687 -0.087 1.00 0.00 C ATOM 665 CG LEU A 46 -9.438 7.814 0.841 1.00 0.00 C ATOM 666 CD1 LEU A 46 -8.309 8.167 1.814 1.00 0.00 C ATOM 667 CD2 LEU A 46 -9.796 9.047 0.009 1.00 0.00 C ATOM 0 H LEU A 46 -9.008 5.243 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.655 5.355 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.239 6.065 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.493 7.104 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.314 7.487 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.636 8.970 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.053 7.290 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.434 8.493 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.124 9.849 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.921 9.374 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.599 8.797 -0.684 1.00 0.00 H new ATOM 679 N GLU A 47 -12.201 7.181 -0.407 1.00 0.00 N ATOM 680 CA GLU A 47 -13.274 8.034 -0.993 1.00 0.00 C ATOM 681 C GLU A 47 -13.342 9.370 -0.249 1.00 0.00 C ATOM 682 O GLU A 47 -12.887 9.488 0.869 1.00 0.00 O ATOM 683 CB GLU A 47 -14.564 7.239 -0.789 1.00 0.00 C ATOM 684 CG GLU A 47 -15.297 7.097 -2.125 1.00 0.00 C ATOM 685 CD GLU A 47 -16.475 6.135 -1.961 1.00 0.00 C ATOM 686 OE1 GLU A 47 -16.374 5.241 -1.137 1.00 0.00 O ATOM 687 OE2 GLU A 47 -17.458 6.309 -2.662 1.00 0.00 O ATOM 0 H GLU A 47 -12.280 7.013 0.596 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.099 8.262 -2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.335 6.254 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.203 7.743 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.653 8.071 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.614 6.726 -2.889 1.00 0.00 H new ATOM 775 N THR A 53 -10.912 7.430 -4.992 1.00 0.00 N ATOM 776 CA THR A 53 -9.525 7.968 -5.097 1.00 0.00 C ATOM 777 C THR A 53 -8.520 6.818 -5.199 1.00 0.00 C ATOM 778 O THR A 53 -8.263 6.120 -4.239 1.00 0.00 O ATOM 779 CB THR A 53 -9.303 8.758 -3.806 1.00 0.00 C ATOM 780 OG1 THR A 53 -10.242 9.821 -3.737 1.00 0.00 O ATOM 781 CG2 THR A 53 -7.883 9.326 -3.789 1.00 0.00 C ATOM 0 HA THR A 53 -9.391 8.590 -5.982 1.00 0.00 H new ATOM 0 HB THR A 53 -9.436 8.098 -2.949 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.079 9.546 -4.165 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.727 9.888 -2.868 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.164 8.509 -3.841 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.745 9.986 -4.645 1.00 0.00 H new ATOM 789 N GLU A 54 -7.952 6.615 -6.355 1.00 0.00 N ATOM 790 CA GLU A 54 -6.966 5.508 -6.513 1.00 0.00 C ATOM 791 C GLU A 54 -5.723 5.782 -5.662 1.00 0.00 C ATOM 792 O GLU A 54 -4.889 6.594 -6.008 1.00 0.00 O ATOM 793 CB GLU A 54 -6.608 5.500 -8.000 1.00 0.00 C ATOM 794 CG GLU A 54 -6.056 6.869 -8.400 1.00 0.00 C ATOM 795 CD GLU A 54 -6.605 7.258 -9.775 1.00 0.00 C ATOM 796 OE1 GLU A 54 -7.784 7.040 -10.002 1.00 0.00 O ATOM 797 OE2 GLU A 54 -5.837 7.765 -10.575 1.00 0.00 O ATOM 0 H GLU A 54 -8.127 7.166 -7.196 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.369 4.549 -6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.869 4.725 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.490 5.263 -8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.338 7.617 -7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.967 6.840 -8.426 1.00 0.00 H new ATOM 804 N ILE A 55 -5.595 5.110 -4.551 1.00 0.00 N ATOM 805 CA ILE A 55 -4.407 5.333 -3.678 1.00 0.00 C ATOM 806 C ILE A 55 -3.183 4.621 -4.259 1.00 0.00 C ATOM 807 O ILE A 55 -2.962 3.450 -4.012 1.00 0.00 O ATOM 808 CB ILE A 55 -4.787 4.729 -2.328 1.00 0.00 C ATOM 809 CG1 ILE A 55 -6.084 5.370 -1.827 1.00 0.00 C ATOM 810 CG2 ILE A 55 -3.669 4.989 -1.319 1.00 0.00 C ATOM 811 CD1 ILE A 55 -5.883 6.879 -1.680 1.00 0.00 C ATOM 0 H ILE A 55 -6.261 4.417 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.150 6.389 -3.593 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.932 3.655 -2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.896 5.167 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.371 4.935 -0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.941 4.558 -0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.745 4.532 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.522 6.063 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.806 7.336 -1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.083 7.072 -0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.616 7.306 -2.647 1.00 0.00 H new ATOM 823 N ASN A 56 -2.392 5.323 -5.030 1.00 0.00 N ATOM 824 CA ASN A 56 -1.177 4.704 -5.639 1.00 0.00 C ATOM 825 C ASN A 56 -0.054 4.584 -4.606 1.00 0.00 C ATOM 826 O ASN A 56 0.245 5.515 -3.884 1.00 0.00 O ATOM 827 CB ASN A 56 -0.769 5.663 -6.760 1.00 0.00 C ATOM 828 CG ASN A 56 -1.905 5.771 -7.780 1.00 0.00 C ATOM 829 OD1 ASN A 56 -2.812 4.963 -7.785 1.00 0.00 O ATOM 830 ND2 ASN A 56 -1.893 6.743 -8.650 1.00 0.00 N ATOM 0 H ASN A 56 -2.537 6.305 -5.265 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.372 3.696 -6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.542 6.646 -6.347 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.138 5.305 -7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.645 6.824 -9.334 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.132 7.422 -8.646 1.00 0.00 H new ATOM 837 N ALA A 57 0.572 3.440 -4.535 1.00 0.00 N ATOM 838 CA ALA A 57 1.682 3.251 -3.552 1.00 0.00 C ATOM 839 C ALA A 57 2.703 4.393 -3.669 1.00 0.00 C ATOM 840 O ALA A 57 2.640 5.183 -4.590 1.00 0.00 O ATOM 841 CB ALA A 57 2.324 1.917 -3.935 1.00 0.00 C ATOM 0 H ALA A 57 0.364 2.627 -5.115 1.00 0.00 H new ATOM 0 HA ALA A 57 1.324 3.254 -2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.152 1.704 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.582 1.122 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.697 1.973 -4.958 1.00 0.00 H new ATOM 847 N PRO A 58 3.612 4.445 -2.725 1.00 0.00 N ATOM 848 CA PRO A 58 4.649 5.507 -2.730 1.00 0.00 C ATOM 849 C PRO A 58 5.743 5.195 -3.757 1.00 0.00 C ATOM 850 O PRO A 58 6.055 6.002 -4.609 1.00 0.00 O ATOM 851 CB PRO A 58 5.214 5.463 -1.314 1.00 0.00 C ATOM 852 CG PRO A 58 4.955 4.072 -0.827 1.00 0.00 C ATOM 853 CD PRO A 58 3.759 3.537 -1.578 1.00 0.00 C ATOM 0 HA PRO A 58 4.251 6.485 -3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.280 5.689 -1.309 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.729 6.200 -0.674 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.827 3.439 -0.996 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.764 4.072 0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.921 2.509 -1.903 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.865 3.537 -0.954 1.00 0.00 H new ATOM 861 N THR A 59 6.334 4.033 -3.677 1.00 0.00 N ATOM 862 CA THR A 59 7.411 3.678 -4.647 1.00 0.00 C ATOM 863 C THR A 59 7.491 2.158 -4.822 1.00 0.00 C ATOM 864 O THR A 59 6.601 1.430 -4.429 1.00 0.00 O ATOM 865 CB THR A 59 8.701 4.213 -4.019 1.00 0.00 C ATOM 866 OG1 THR A 59 8.638 4.063 -2.607 1.00 0.00 O ATOM 867 CG2 THR A 59 8.867 5.693 -4.369 1.00 0.00 C ATOM 0 H THR A 59 6.119 3.316 -2.984 1.00 0.00 H new ATOM 0 HA THR A 59 7.230 4.101 -5.635 1.00 0.00 H new ATOM 0 HB THR A 59 9.552 3.653 -4.407 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.464 4.404 -2.205 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.786 6.072 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.917 5.807 -5.452 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.017 6.256 -3.984 1.00 0.00 H new ATOM 875 N ASP A 60 8.549 1.674 -5.414 1.00 0.00 N ATOM 876 CA ASP A 60 8.687 0.204 -5.619 1.00 0.00 C ATOM 877 C ASP A 60 9.130 -0.477 -4.320 1.00 0.00 C ATOM 878 O ASP A 60 10.146 -0.138 -3.746 1.00 0.00 O ATOM 879 CB ASP A 60 9.761 0.055 -6.698 1.00 0.00 C ATOM 880 CG ASP A 60 9.879 -1.415 -7.104 1.00 0.00 C ATOM 881 OD1 ASP A 60 9.516 -2.261 -6.305 1.00 0.00 O ATOM 882 OD2 ASP A 60 10.333 -1.669 -8.208 1.00 0.00 O ATOM 0 H ASP A 60 9.325 2.235 -5.765 1.00 0.00 H new ATOM 0 HA ASP A 60 7.746 -0.261 -5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.506 0.663 -7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.719 0.418 -6.325 1.00 0.00 H new ATOM 887 N GLY A 61 8.375 -1.434 -3.855 1.00 0.00 N ATOM 888 CA GLY A 61 8.748 -2.138 -2.595 1.00 0.00 C ATOM 889 C GLY A 61 7.793 -3.311 -2.367 1.00 0.00 C ATOM 890 O GLY A 61 7.063 -3.709 -3.253 1.00 0.00 O ATOM 0 H GLY A 61 7.514 -1.760 -4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.775 -2.498 -2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.702 -1.448 -1.752 1.00 0.00 H new ATOM 894 N LYS A 62 7.786 -3.867 -1.186 1.00 0.00 N ATOM 895 CA LYS A 62 6.871 -5.013 -0.913 1.00 0.00 C ATOM 896 C LYS A 62 6.141 -4.807 0.414 1.00 0.00 C ATOM 897 O LYS A 62 6.623 -4.134 1.303 1.00 0.00 O ATOM 898 CB LYS A 62 7.775 -6.244 -0.843 1.00 0.00 C ATOM 899 CG LYS A 62 6.953 -7.496 -1.157 1.00 0.00 C ATOM 900 CD LYS A 62 7.781 -8.745 -0.848 1.00 0.00 C ATOM 901 CE LYS A 62 7.238 -9.421 0.413 1.00 0.00 C ATOM 902 NZ LYS A 62 8.365 -10.251 0.923 1.00 0.00 N ATOM 0 H LYS A 62 8.371 -3.579 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 62 6.106 -5.116 -1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.596 -6.147 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.220 -6.327 0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.037 -7.499 -0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.656 -7.495 -2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.742 -9.437 -1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.827 -8.474 -0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.925 -8.684 1.152 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.366 -10.035 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.068 -10.746 1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.637 -10.949 0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.178 -9.639 1.136 1.00 0.00 H new ATOM 916 N VAL A 63 4.977 -5.383 0.554 1.00 0.00 N ATOM 917 CA VAL A 63 4.214 -5.217 1.825 1.00 0.00 C ATOM 918 C VAL A 63 4.753 -6.166 2.897 1.00 0.00 C ATOM 919 O VAL A 63 4.816 -7.365 2.710 1.00 0.00 O ATOM 920 CB VAL A 63 2.760 -5.557 1.466 1.00 0.00 C ATOM 921 CG1 VAL A 63 1.929 -5.771 2.739 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.158 -4.401 0.673 1.00 0.00 C ATOM 0 H VAL A 63 4.523 -5.959 -0.154 1.00 0.00 H new ATOM 0 HA VAL A 63 4.302 -4.210 2.232 1.00 0.00 H new ATOM 0 HB VAL A 63 2.748 -6.472 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.901 -6.011 2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.353 -6.593 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.942 -4.861 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.125 -4.636 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.184 -3.494 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.734 -4.247 -0.239 1.00 0.00 H new ATOM 932 N GLU A 64 5.124 -5.634 4.027 1.00 0.00 N ATOM 933 CA GLU A 64 5.637 -6.497 5.126 1.00 0.00 C ATOM 934 C GLU A 64 4.470 -6.973 5.999 1.00 0.00 C ATOM 935 O GLU A 64 4.608 -7.883 6.792 1.00 0.00 O ATOM 936 CB GLU A 64 6.578 -5.598 5.928 1.00 0.00 C ATOM 937 CG GLU A 64 7.974 -5.633 5.303 1.00 0.00 C ATOM 938 CD GLU A 64 8.610 -7.002 5.548 1.00 0.00 C ATOM 939 OE1 GLU A 64 8.449 -7.520 6.640 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.249 -7.508 4.640 1.00 0.00 O ATOM 0 H GLU A 64 5.094 -4.636 4.237 1.00 0.00 H new ATOM 0 HA GLU A 64 6.146 -7.387 4.757 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.199 -4.576 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.623 -5.934 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.910 -5.437 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.596 -4.849 5.734 1.00 0.00 H new ATOM 947 N LYS A 65 3.317 -6.365 5.856 1.00 0.00 N ATOM 948 CA LYS A 65 2.138 -6.782 6.673 1.00 0.00 C ATOM 949 C LYS A 65 0.937 -5.894 6.341 1.00 0.00 C ATOM 950 O LYS A 65 1.065 -4.888 5.672 1.00 0.00 O ATOM 951 CB LYS A 65 2.559 -6.584 8.133 1.00 0.00 C ATOM 952 CG LYS A 65 2.550 -7.934 8.854 1.00 0.00 C ATOM 953 CD LYS A 65 1.236 -8.097 9.620 1.00 0.00 C ATOM 954 CE LYS A 65 1.415 -9.139 10.727 1.00 0.00 C ATOM 955 NZ LYS A 65 0.032 -9.461 11.180 1.00 0.00 N ATOM 0 H LYS A 65 3.143 -5.597 5.207 1.00 0.00 H new ATOM 0 HA LYS A 65 1.847 -7.814 6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.554 -6.142 8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.879 -5.891 8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.665 -8.744 8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.394 -7.996 9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.933 -7.142 10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.442 -8.406 8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.925 -10.027 10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.017 -8.746 11.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.072 -10.170 11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.427 -8.598 11.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.516 -9.840 10.381 1.00 0.00 H new ATOM 969 N VAL A 66 -0.228 -6.255 6.799 1.00 0.00 N ATOM 970 CA VAL A 66 -1.432 -5.426 6.504 1.00 0.00 C ATOM 971 C VAL A 66 -1.724 -4.479 7.670 1.00 0.00 C ATOM 972 O VAL A 66 -1.522 -4.813 8.820 1.00 0.00 O ATOM 973 CB VAL A 66 -2.571 -6.429 6.331 1.00 0.00 C ATOM 974 CG1 VAL A 66 -3.866 -5.679 6.018 1.00 0.00 C ATOM 975 CG2 VAL A 66 -2.241 -7.381 5.178 1.00 0.00 C ATOM 0 H VAL A 66 -0.400 -7.087 7.364 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.297 -4.805 5.618 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.695 -7.001 7.250 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.680 -6.394 5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.101 -5.000 6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.742 -5.107 5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.053 -8.097 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.117 -6.809 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.317 -7.915 5.400 1.00 0.00 H new ATOM 985 N LEU A 67 -2.200 -3.299 7.381 1.00 0.00 N ATOM 986 CA LEU A 67 -2.507 -2.331 8.473 1.00 0.00 C ATOM 987 C LEU A 67 -3.921 -1.773 8.294 1.00 0.00 C ATOM 988 O LEU A 67 -4.731 -1.806 9.200 1.00 0.00 O ATOM 989 CB LEU A 67 -1.468 -1.220 8.321 1.00 0.00 C ATOM 990 CG LEU A 67 -0.531 -1.227 9.532 1.00 0.00 C ATOM 991 CD1 LEU A 67 0.840 -0.689 9.118 1.00 0.00 C ATOM 992 CD2 LEU A 67 -1.114 -0.340 10.634 1.00 0.00 C ATOM 0 H LEU A 67 -2.390 -2.963 6.437 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.467 -2.791 9.460 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.896 -1.365 7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.964 -0.253 8.237 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.426 -2.246 9.904 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.508 -0.694 9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.256 -1.320 8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.734 0.330 8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.447 -0.345 11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.220 0.679 10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.091 -0.722 10.929 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.224 -1.260 7.133 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.586 -0.701 6.895 1.00 0.00 C ATOM 1006 C VAL A 68 -6.654 -1.737 7.258 1.00 0.00 C ATOM 1007 O VAL A 68 -6.415 -2.928 7.223 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.630 -0.387 5.399 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -5.440 -1.679 4.600 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -6.981 0.239 5.045 1.00 0.00 C ATOM 0 H VAL A 68 -3.587 -1.204 6.338 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.781 0.183 7.503 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.832 0.313 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.471 -1.455 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.476 -2.123 4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.237 -2.380 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.010 0.462 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.781 -0.459 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.115 1.160 5.612 1.00 0.00 H new ATOM 1020 N LYS A 69 -7.831 -1.295 7.607 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.911 -2.256 7.973 1.00 0.00 C ATOM 1022 C LYS A 69 -9.792 -2.569 6.758 1.00 0.00 C ATOM 1023 O LYS A 69 -10.604 -3.472 6.793 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.724 -1.544 9.056 1.00 0.00 C ATOM 1025 CG LYS A 69 -8.801 -1.132 10.204 1.00 0.00 C ATOM 1026 CD LYS A 69 -9.281 -1.779 11.504 1.00 0.00 C ATOM 1027 CE LYS A 69 -8.405 -1.303 12.667 1.00 0.00 C ATOM 1028 NZ LYS A 69 -9.100 -1.786 13.894 1.00 0.00 N ATOM 0 H LYS A 69 -8.092 -0.310 7.655 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.510 -3.208 8.320 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.215 -0.665 8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.510 -2.202 9.426 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.777 -1.439 9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.794 -0.047 10.307 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.323 -1.518 11.689 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.235 -2.865 11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.398 -1.713 12.596 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.308 -0.217 12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.560 -1.499 14.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.054 -1.374 13.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.172 -2.823 13.867 1.00 0.00 H new ATOM 1042 N GLU A 70 -9.640 -1.829 5.684 1.00 0.00 N ATOM 1043 CA GLU A 70 -10.471 -2.076 4.461 1.00 0.00 C ATOM 1044 C GLU A 70 -11.957 -1.873 4.777 1.00 0.00 C ATOM 1045 O GLU A 70 -12.454 -2.316 5.793 1.00 0.00 O ATOM 1046 CB GLU A 70 -10.198 -3.530 4.055 1.00 0.00 C ATOM 1047 CG GLU A 70 -10.765 -3.784 2.658 1.00 0.00 C ATOM 1048 CD GLU A 70 -11.253 -5.230 2.564 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -12.201 -5.562 3.256 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -10.671 -5.983 1.801 1.00 0.00 O ATOM 0 H GLU A 70 -8.973 -1.061 5.602 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.219 -1.385 3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.126 -3.727 4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.654 -4.211 4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.587 -3.097 2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.001 -3.597 1.904 1.00 0.00 H new ATOM 1057 N ARG A 71 -12.673 -1.200 3.916 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.126 -0.966 4.177 1.00 0.00 C ATOM 1059 C ARG A 71 -14.307 -0.250 5.517 1.00 0.00 C ATOM 1060 O ARG A 71 -15.357 -0.305 6.125 1.00 0.00 O ATOM 1061 CB ARG A 71 -14.765 -2.358 4.222 1.00 0.00 C ATOM 1062 CG ARG A 71 -15.595 -2.580 2.955 1.00 0.00 C ATOM 1063 CD ARG A 71 -17.081 -2.652 3.320 1.00 0.00 C ATOM 1064 NE ARG A 71 -17.530 -1.234 3.388 1.00 0.00 N ATOM 1065 CZ ARG A 71 -18.292 -0.835 4.370 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -17.937 -1.062 5.604 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -19.412 -0.213 4.118 1.00 0.00 N ATOM 0 H ARG A 71 -12.318 -0.803 3.046 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.584 -0.340 3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.992 -3.122 4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.397 -2.451 5.105 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.423 -1.768 2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.286 -3.502 2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.645 -3.209 2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.229 -3.159 4.273 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.242 -0.573 2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.064 -1.551 5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.532 -0.750 6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.692 -0.038 3.153 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.007 0.098 4.886 1.00 0.00 H new ATOM 1081 N ASP A 72 -13.291 0.423 5.978 1.00 0.00 N ATOM 1082 CA ASP A 72 -13.400 1.146 7.276 1.00 0.00 C ATOM 1083 C ASP A 72 -13.262 2.653 7.044 1.00 0.00 C ATOM 1084 O ASP A 72 -12.264 3.123 6.534 1.00 0.00 O ATOM 1085 CB ASP A 72 -12.242 0.618 8.123 1.00 0.00 C ATOM 1086 CG ASP A 72 -12.265 1.286 9.499 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -13.337 1.373 10.076 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -11.211 1.699 9.954 1.00 0.00 O ATOM 0 H ASP A 72 -12.388 0.504 5.511 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.361 0.986 7.765 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.321 -0.464 8.232 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.293 0.820 7.626 1.00 0.00 H new ATOM 1093 N ALA A 73 -14.258 3.412 7.408 1.00 0.00 N ATOM 1094 CA ALA A 73 -14.184 4.888 7.198 1.00 0.00 C ATOM 1095 C ALA A 73 -13.116 5.501 8.109 1.00 0.00 C ATOM 1096 O ALA A 73 -12.612 4.856 9.006 1.00 0.00 O ATOM 1097 CB ALA A 73 -15.571 5.410 7.576 1.00 0.00 C ATOM 0 H ALA A 73 -15.119 3.077 7.841 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.914 5.146 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -15.600 6.492 7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -16.321 4.949 6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -15.782 5.161 8.616 1.00 0.00 H new ATOM 1103 N VAL A 74 -12.775 6.744 7.881 1.00 0.00 N ATOM 1104 CA VAL A 74 -11.740 7.425 8.725 1.00 0.00 C ATOM 1105 C VAL A 74 -10.395 6.698 8.622 1.00 0.00 C ATOM 1106 O VAL A 74 -10.329 5.484 8.604 1.00 0.00 O ATOM 1107 CB VAL A 74 -12.270 7.373 10.164 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -11.383 8.241 11.059 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -13.708 7.900 10.209 1.00 0.00 C ATOM 0 H VAL A 74 -13.171 7.323 7.141 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.572 8.451 8.397 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.255 6.342 10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.756 8.207 12.083 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.360 7.865 11.032 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.400 9.270 10.700 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -14.078 7.860 11.233 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.729 8.931 9.855 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.341 7.284 9.570 1.00 0.00 H new ATOM 1119 N GLN A 75 -9.316 7.432 8.554 1.00 0.00 N ATOM 1120 CA GLN A 75 -7.976 6.784 8.453 1.00 0.00 C ATOM 1121 C GLN A 75 -6.870 7.844 8.461 1.00 0.00 C ATOM 1122 O GLN A 75 -5.929 7.775 7.695 1.00 0.00 O ATOM 1123 CB GLN A 75 -7.991 6.037 7.118 1.00 0.00 C ATOM 1124 CG GLN A 75 -7.971 4.529 7.376 1.00 0.00 C ATOM 1125 CD GLN A 75 -9.189 3.882 6.717 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -9.757 4.430 5.793 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -9.618 2.732 7.157 1.00 0.00 N ATOM 0 H GLN A 75 -9.305 8.452 8.564 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.781 6.115 9.291 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.880 6.307 6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.128 6.325 6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.055 4.093 6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.977 4.333 8.448 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.141 2.272 7.933 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.431 2.292 6.726 1.00 0.00 H new ATOM 1136 N GLY A 76 -6.972 8.820 9.321 1.00 0.00 N ATOM 1137 CA GLY A 76 -5.923 9.878 9.374 1.00 0.00 C ATOM 1138 C GLY A 76 -4.983 9.601 10.548 1.00 0.00 C ATOM 1139 O GLY A 76 -5.415 9.361 11.658 1.00 0.00 O ATOM 0 H GLY A 76 -7.735 8.931 9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.361 9.896 8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.385 10.859 9.487 1.00 0.00 H new ATOM 1143 N GLY A 77 -3.699 9.629 10.313 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.733 9.363 11.417 1.00 0.00 C ATOM 1145 C GLY A 77 -2.566 7.852 11.597 1.00 0.00 C ATOM 1146 O GLY A 77 -2.120 7.387 12.627 1.00 0.00 O ATOM 0 H GLY A 77 -3.278 9.824 9.405 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.770 9.821 11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.090 9.813 12.343 1.00 0.00 H new ATOM 1150 N GLN A 78 -2.919 7.081 10.604 1.00 0.00 N ATOM 1151 CA GLN A 78 -2.777 5.603 10.721 1.00 0.00 C ATOM 1152 C GLN A 78 -2.078 5.041 9.481 1.00 0.00 C ATOM 1153 O GLN A 78 -2.332 5.465 8.370 1.00 0.00 O ATOM 1154 CB GLN A 78 -4.207 5.073 10.819 1.00 0.00 C ATOM 1155 CG GLN A 78 -4.645 5.059 12.284 1.00 0.00 C ATOM 1156 CD GLN A 78 -5.735 4.004 12.482 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -6.112 3.320 11.551 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -6.261 3.843 13.666 1.00 0.00 N ATOM 0 H GLN A 78 -3.299 7.412 9.717 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.177 5.312 11.583 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.880 5.699 10.233 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.263 4.068 10.402 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.792 4.841 12.927 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.019 6.042 12.572 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.944 4.417 14.447 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.989 3.143 13.810 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.199 4.094 9.664 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.481 3.505 8.499 1.00 0.00 C ATOM 1169 C GLY A 79 -1.434 2.617 7.700 1.00 0.00 C ATOM 1170 O GLY A 79 -2.245 1.902 8.255 1.00 0.00 O ATOM 0 H GLY A 79 -0.947 3.702 10.571 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.089 4.298 7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.373 2.921 8.843 1.00 0.00 H new ATOM 1174 N LEU A 80 -1.342 2.651 6.398 1.00 0.00 N ATOM 1175 CA LEU A 80 -2.240 1.802 5.563 1.00 0.00 C ATOM 1176 C LEU A 80 -1.566 0.461 5.267 1.00 0.00 C ATOM 1177 O LEU A 80 -2.158 -0.590 5.415 1.00 0.00 O ATOM 1178 CB LEU A 80 -2.448 2.594 4.270 1.00 0.00 C ATOM 1179 CG LEU A 80 -3.083 3.947 4.593 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -2.921 4.885 3.395 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -4.571 3.754 4.890 1.00 0.00 C ATOM 0 H LEU A 80 -0.684 3.230 5.876 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.184 1.583 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.494 2.740 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.088 2.034 3.588 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.591 4.380 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.373 5.850 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.861 5.023 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.413 4.451 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.024 4.718 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.063 3.321 4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.688 3.085 5.743 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.329 0.488 4.850 1.00 0.00 N ATOM 1194 CA ILE A 81 0.387 -0.784 4.546 1.00 0.00 C ATOM 1195 C ILE A 81 1.814 -0.731 5.098 1.00 0.00 C ATOM 1196 O ILE A 81 2.403 0.325 5.220 1.00 0.00 O ATOM 1197 CB ILE A 81 0.407 -0.874 3.020 1.00 0.00 C ATOM 1198 CG1 ILE A 81 -1.028 -0.966 2.494 1.00 0.00 C ATOM 1199 CG2 ILE A 81 1.184 -2.120 2.593 1.00 0.00 C ATOM 1200 CD1 ILE A 81 -1.023 -0.835 0.970 1.00 0.00 C ATOM 0 H ILE A 81 0.217 1.337 4.707 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.098 -1.649 4.999 1.00 0.00 H new ATOM 0 HB ILE A 81 0.888 0.014 2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.473 -1.917 2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.639 -0.179 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.199 -2.185 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.206 -2.057 2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.702 -3.008 3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.045 -0.901 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.595 0.127 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.426 -1.638 0.538 1.00 0.00 H new ATOM 1212 N LYS A 82 2.374 -1.861 5.431 1.00 0.00 N ATOM 1213 CA LYS A 82 3.763 -1.873 5.973 1.00 0.00 C ATOM 1214 C LYS A 82 4.761 -2.194 4.857 1.00 0.00 C ATOM 1215 O LYS A 82 4.471 -2.950 3.951 1.00 0.00 O ATOM 1216 CB LYS A 82 3.766 -2.978 7.031 1.00 0.00 C ATOM 1217 CG LYS A 82 4.975 -2.804 7.951 1.00 0.00 C ATOM 1218 CD LYS A 82 4.697 -3.482 9.294 1.00 0.00 C ATOM 1219 CE LYS A 82 3.829 -2.567 10.162 1.00 0.00 C ATOM 1220 NZ LYS A 82 3.888 -3.160 11.526 1.00 0.00 N ATOM 0 H LYS A 82 1.931 -2.776 5.352 1.00 0.00 H new ATOM 0 HA LYS A 82 4.053 -0.909 6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.845 -2.941 7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.800 -3.956 6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.862 -3.238 7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.181 -1.744 8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.192 -4.435 9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.635 -3.700 9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.208 -1.545 10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.804 -2.528 9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.316 -2.587 12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.515 -4.130 11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.875 -3.178 11.855 1.00 0.00 H new ATOM 1234 N ILE A 83 5.934 -1.624 4.912 1.00 0.00 N ATOM 1235 CA ILE A 83 6.945 -1.896 3.851 1.00 0.00 C ATOM 1236 C ILE A 83 8.361 -1.851 4.441 1.00 0.00 C ATOM 1237 O ILE A 83 8.590 -1.268 5.482 1.00 0.00 O ATOM 1238 CB ILE A 83 6.746 -0.780 2.821 1.00 0.00 C ATOM 1239 CG1 ILE A 83 7.624 -1.056 1.597 1.00 0.00 C ATOM 1240 CG2 ILE A 83 7.132 0.570 3.433 1.00 0.00 C ATOM 1241 CD1 ILE A 83 7.016 -0.375 0.368 1.00 0.00 C ATOM 0 H ILE A 83 6.236 -0.982 5.645 1.00 0.00 H new ATOM 0 HA ILE A 83 6.825 -2.884 3.406 1.00 0.00 H new ATOM 0 HB ILE A 83 5.698 -0.750 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.634 -0.684 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.704 -2.130 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.988 1.359 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 83 6.505 0.768 4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 83 8.178 0.545 3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.641 -0.571 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.015 -0.768 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.959 0.700 0.539 1.00 0.00 H new ATOM 1253 N GLY A 84 9.309 -2.459 3.783 1.00 0.00 N ATOM 1254 CA GLY A 84 10.704 -2.449 4.306 1.00 0.00 C ATOM 1255 C GLY A 84 11.658 -1.959 3.215 1.00 0.00 C ATOM 1256 O GLY A 84 12.852 -1.951 3.461 1.00 0.00 O ATOM 1257 OXT GLY A 84 11.176 -1.600 2.153 1.00 0.00 O ATOM 0 H GLY A 84 9.178 -2.962 2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.771 -1.801 5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.989 -3.450 4.630 1.00 0.00 H new