USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot -11:sc= 0.249 USER MOD Set 1.2: A 56 ASN : amide:sc= 0.233 X(o=0.48,f=-0.0086) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.534 USER MOD Single : A 27 SER OG : rot -170: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= 0.0904 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0531 X(o=-0.053,f=0) USER MOD Single : A 53 THR OG1 : rot 34:sc= 0.417 USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 1.11 (180deg=1.01) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0145 K(o=-0.014,f=-2.1!) USER MOD Single : A 78 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.7!) USER MOD Single : A 82 LYS NZ :NH3+ 167:sc= 0.235 (180deg=0.131) USER MOD ----------------------------------------------------------------- ATOM 189 N ALA A 13 -0.181 2.383 14.886 1.00 0.00 N ATOM 190 CA ALA A 13 0.993 3.177 14.418 1.00 0.00 C ATOM 191 C ALA A 13 2.272 2.656 15.079 1.00 0.00 C ATOM 192 O ALA A 13 2.758 3.217 16.041 1.00 0.00 O ATOM 193 CB ALA A 13 0.705 4.612 14.858 1.00 0.00 C ATOM 0 HA ALA A 13 1.139 3.107 13.340 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.526 5.259 14.549 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.221 4.955 14.396 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.604 4.647 15.943 1.00 0.00 H new ATOM 199 N GLY A 14 2.818 1.582 14.575 1.00 0.00 N ATOM 200 CA GLY A 14 4.060 1.022 15.181 1.00 0.00 C ATOM 201 C GLY A 14 5.288 1.697 14.569 1.00 0.00 C ATOM 202 O GLY A 14 5.587 2.841 14.851 1.00 0.00 O ATOM 0 H GLY A 14 2.458 1.069 13.770 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.050 1.176 16.260 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.104 -0.054 15.013 1.00 0.00 H new ATOM 206 N GLU A 15 6.006 0.996 13.734 1.00 0.00 N ATOM 207 CA GLU A 15 7.219 1.590 13.105 1.00 0.00 C ATOM 208 C GLU A 15 7.056 1.618 11.584 1.00 0.00 C ATOM 209 O GLU A 15 7.271 2.628 10.944 1.00 0.00 O ATOM 210 CB GLU A 15 8.364 0.657 13.505 1.00 0.00 C ATOM 211 CG GLU A 15 9.639 1.472 13.723 1.00 0.00 C ATOM 212 CD GLU A 15 10.826 0.738 13.093 1.00 0.00 C ATOM 213 OE1 GLU A 15 10.817 0.566 11.885 1.00 0.00 O ATOM 214 OE2 GLU A 15 11.722 0.361 13.830 1.00 0.00 O ATOM 0 H GLU A 15 5.804 0.035 13.460 1.00 0.00 H new ATOM 0 HA GLU A 15 7.398 2.616 13.427 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.105 0.118 14.416 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.526 -0.090 12.728 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.532 2.461 13.278 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.812 1.619 14.789 1.00 0.00 H new ATOM 221 N GLY A 16 6.673 0.515 11.002 1.00 0.00 N ATOM 222 CA GLY A 16 6.489 0.474 9.524 1.00 0.00 C ATOM 223 C GLY A 16 5.017 0.717 9.188 1.00 0.00 C ATOM 224 O GLY A 16 4.248 -0.207 9.013 1.00 0.00 O ATOM 0 H GLY A 16 6.479 -0.361 11.487 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.112 1.231 9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.808 -0.492 9.134 1.00 0.00 H new ATOM 228 N GLU A 17 4.622 1.956 9.093 1.00 0.00 N ATOM 229 CA GLU A 17 3.202 2.267 8.765 1.00 0.00 C ATOM 230 C GLU A 17 3.090 3.679 8.181 1.00 0.00 C ATOM 231 O GLU A 17 3.871 4.556 8.498 1.00 0.00 O ATOM 232 CB GLU A 17 2.451 2.175 10.095 1.00 0.00 C ATOM 233 CG GLU A 17 3.009 3.208 11.080 1.00 0.00 C ATOM 234 CD GLU A 17 4.269 2.652 11.748 1.00 0.00 C ATOM 235 OE1 GLU A 17 4.372 1.442 11.856 1.00 0.00 O ATOM 236 OE2 GLU A 17 5.109 3.446 12.139 1.00 0.00 O ATOM 0 H GLU A 17 5.223 2.769 9.229 1.00 0.00 H new ATOM 0 HA GLU A 17 2.794 1.582 8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.387 2.350 9.935 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.551 1.172 10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.242 4.136 10.557 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.260 3.447 11.835 1.00 0.00 H new ATOM 243 N ILE A 18 2.123 3.909 7.337 1.00 0.00 N ATOM 244 CA ILE A 18 1.960 5.266 6.738 1.00 0.00 C ATOM 245 C ILE A 18 0.675 5.918 7.266 1.00 0.00 C ATOM 246 O ILE A 18 -0.403 5.629 6.787 1.00 0.00 O ATOM 247 CB ILE A 18 1.867 5.028 5.231 1.00 0.00 C ATOM 248 CG1 ILE A 18 3.200 4.475 4.722 1.00 0.00 C ATOM 249 CG2 ILE A 18 1.562 6.348 4.518 1.00 0.00 C ATOM 250 CD1 ILE A 18 3.085 4.153 3.231 1.00 0.00 C ATOM 0 H ILE A 18 1.438 3.217 7.035 1.00 0.00 H new ATOM 0 HA ILE A 18 2.784 5.934 6.989 1.00 0.00 H new ATOM 0 HB ILE A 18 1.070 4.313 5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.994 5.203 4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.469 3.577 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.496 6.175 3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.614 6.746 4.880 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.358 7.064 4.722 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.035 3.759 2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.302 3.410 3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.836 5.060 2.681 1.00 0.00 H new ATOM 262 N PRO A 19 0.830 6.780 8.242 1.00 0.00 N ATOM 263 CA PRO A 19 -0.343 7.470 8.834 1.00 0.00 C ATOM 264 C PRO A 19 -0.918 8.490 7.848 1.00 0.00 C ATOM 265 O PRO A 19 -0.211 9.323 7.319 1.00 0.00 O ATOM 266 CB PRO A 19 0.234 8.167 10.065 1.00 0.00 C ATOM 267 CG PRO A 19 1.687 8.343 9.761 1.00 0.00 C ATOM 268 CD PRO A 19 2.089 7.191 8.879 1.00 0.00 C ATOM 0 HA PRO A 19 -1.160 6.792 9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.252 9.127 10.240 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.088 7.567 10.963 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.865 9.294 9.259 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.276 8.351 10.678 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.831 7.493 8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.528 6.378 9.458 1.00 0.00 H new ATOM 276 N ALA A 20 -2.197 8.430 7.598 1.00 0.00 N ATOM 277 CA ALA A 20 -2.815 9.396 6.646 1.00 0.00 C ATOM 278 C ALA A 20 -2.830 10.804 7.259 1.00 0.00 C ATOM 279 O ALA A 20 -3.124 10.962 8.427 1.00 0.00 O ATOM 280 CB ALA A 20 -4.242 8.889 6.436 1.00 0.00 C ATOM 0 H ALA A 20 -2.840 7.755 8.011 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.264 9.462 5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.765 9.550 5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.213 7.881 6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.767 8.875 7.391 1.00 0.00 H new ATOM 286 N PRO A 21 -2.511 11.789 6.451 1.00 0.00 N ATOM 287 CA PRO A 21 -2.493 13.189 6.942 1.00 0.00 C ATOM 288 C PRO A 21 -3.920 13.711 7.141 1.00 0.00 C ATOM 289 O PRO A 21 -4.133 14.738 7.753 1.00 0.00 O ATOM 290 CB PRO A 21 -1.786 13.953 5.826 1.00 0.00 C ATOM 291 CG PRO A 21 -2.007 13.134 4.594 1.00 0.00 C ATOM 292 CD PRO A 21 -2.142 11.698 5.031 1.00 0.00 C ATOM 0 HA PRO A 21 -1.996 13.295 7.907 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.198 14.956 5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.723 14.067 6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.904 13.462 4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.173 13.248 3.901 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.905 11.176 4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.209 11.151 4.896 1.00 0.00 H new ATOM 300 N LEU A 22 -4.899 13.016 6.626 1.00 0.00 N ATOM 301 CA LEU A 22 -6.306 13.482 6.787 1.00 0.00 C ATOM 302 C LEU A 22 -7.248 12.283 6.935 1.00 0.00 C ATOM 303 O LEU A 22 -6.971 11.202 6.455 1.00 0.00 O ATOM 304 CB LEU A 22 -6.613 14.251 5.502 1.00 0.00 C ATOM 305 CG LEU A 22 -7.941 14.993 5.655 1.00 0.00 C ATOM 306 CD1 LEU A 22 -7.684 16.502 5.653 1.00 0.00 C ATOM 307 CD2 LEU A 22 -8.865 14.630 4.491 1.00 0.00 C ATOM 0 H LEU A 22 -4.785 12.148 6.102 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.439 14.099 7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.812 14.959 5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.664 13.563 4.658 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.412 14.706 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.630 17.032 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.026 16.760 6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.213 16.790 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.812 15.159 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.395 14.917 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.047 13.555 4.493 1.00 0.00 H new ATOM 319 N ALA A 23 -8.359 12.468 7.594 1.00 0.00 N ATOM 320 CA ALA A 23 -9.318 11.339 7.770 1.00 0.00 C ATOM 321 C ALA A 23 -9.829 10.864 6.407 1.00 0.00 C ATOM 322 O ALA A 23 -9.726 11.561 5.417 1.00 0.00 O ATOM 323 CB ALA A 23 -10.463 11.916 8.602 1.00 0.00 C ATOM 0 H ALA A 23 -8.645 13.351 8.018 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.858 10.478 8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.212 11.144 8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.076 12.267 9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.918 12.749 8.066 1.00 0.00 H new ATOM 329 N GLY A 24 -10.380 9.683 6.348 1.00 0.00 N ATOM 330 CA GLY A 24 -10.897 9.166 5.049 1.00 0.00 C ATOM 331 C GLY A 24 -11.452 7.754 5.246 1.00 0.00 C ATOM 332 O GLY A 24 -11.681 7.317 6.357 1.00 0.00 O ATOM 0 H GLY A 24 -10.495 9.054 7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.677 9.825 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.099 9.154 4.307 1.00 0.00 H new ATOM 336 N THR A 25 -11.670 7.036 4.178 1.00 0.00 N ATOM 337 CA THR A 25 -12.210 5.653 4.309 1.00 0.00 C ATOM 338 C THR A 25 -11.725 4.782 3.149 1.00 0.00 C ATOM 339 O THR A 25 -11.502 5.257 2.052 1.00 0.00 O ATOM 340 CB THR A 25 -13.732 5.811 4.261 1.00 0.00 C ATOM 341 OG1 THR A 25 -14.100 7.050 4.853 1.00 0.00 O ATOM 342 CG2 THR A 25 -14.390 4.662 5.027 1.00 0.00 C ATOM 0 H THR A 25 -11.498 7.347 3.222 1.00 0.00 H new ATOM 0 HA THR A 25 -11.880 5.169 5.228 1.00 0.00 H new ATOM 0 HB THR A 25 -14.066 5.792 3.224 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.074 7.151 4.821 1.00 0.00 H new ATOM 0 HG21 THR A 25 -15.474 4.775 4.992 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.110 3.713 4.571 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.056 4.678 6.065 1.00 0.00 H new ATOM 350 N VAL A 26 -11.559 3.508 3.381 1.00 0.00 N ATOM 351 CA VAL A 26 -11.087 2.604 2.293 1.00 0.00 C ATOM 352 C VAL A 26 -12.280 2.061 1.501 1.00 0.00 C ATOM 353 O VAL A 26 -13.254 1.603 2.064 1.00 0.00 O ATOM 354 CB VAL A 26 -10.360 1.468 3.010 1.00 0.00 C ATOM 355 CG1 VAL A 26 -9.891 0.434 1.984 1.00 0.00 C ATOM 356 CG2 VAL A 26 -9.150 2.027 3.760 1.00 0.00 C ATOM 0 H VAL A 26 -11.730 3.054 4.278 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.440 3.118 1.581 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.039 0.995 3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.372 -0.377 2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.753 0.034 1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.213 0.908 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.632 1.216 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.471 2.502 3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.484 2.763 4.492 1.00 0.00 H new ATOM 366 N SER A 27 -12.208 2.103 0.200 1.00 0.00 N ATOM 367 CA SER A 27 -13.335 1.583 -0.627 1.00 0.00 C ATOM 368 C SER A 27 -12.979 0.203 -1.185 1.00 0.00 C ATOM 369 O SER A 27 -13.838 -0.623 -1.425 1.00 0.00 O ATOM 370 CB SER A 27 -13.493 2.595 -1.760 1.00 0.00 C ATOM 371 OG SER A 27 -14.736 3.268 -1.617 1.00 0.00 O ATOM 0 H SER A 27 -11.418 2.475 -0.327 1.00 0.00 H new ATOM 0 HA SER A 27 -14.255 1.469 -0.053 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.673 3.313 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.449 2.089 -2.724 1.00 0.00 H new ATOM 0 HG SER A 27 -14.914 3.800 -2.420 1.00 0.00 H new ATOM 377 N LYS A 28 -11.716 -0.052 -1.387 1.00 0.00 N ATOM 378 CA LYS A 28 -11.296 -1.376 -1.925 1.00 0.00 C ATOM 379 C LYS A 28 -9.771 -1.499 -1.868 1.00 0.00 C ATOM 380 O LYS A 28 -9.059 -0.514 -1.895 1.00 0.00 O ATOM 381 CB LYS A 28 -11.788 -1.393 -3.373 1.00 0.00 C ATOM 382 CG LYS A 28 -12.827 -2.501 -3.546 1.00 0.00 C ATOM 383 CD LYS A 28 -13.296 -2.544 -5.002 1.00 0.00 C ATOM 384 CE LYS A 28 -12.130 -2.963 -5.901 1.00 0.00 C ATOM 385 NZ LYS A 28 -12.643 -4.127 -6.676 1.00 0.00 N ATOM 0 H LYS A 28 -10.955 0.601 -1.202 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.706 -2.208 -1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.224 -0.428 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.950 -1.556 -4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.398 -3.462 -3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.676 -2.324 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.122 -3.247 -5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.669 -1.565 -5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.829 -2.150 -6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.255 -3.236 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.900 -4.472 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.916 -4.887 -6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.472 -3.835 -7.232 1.00 0.00 H new ATOM 399 N ILE A 29 -9.263 -2.696 -1.784 1.00 0.00 N ATOM 400 CA ILE A 29 -7.784 -2.872 -1.718 1.00 0.00 C ATOM 401 C ILE A 29 -7.268 -3.550 -2.990 1.00 0.00 C ATOM 402 O ILE A 29 -7.956 -4.338 -3.609 1.00 0.00 O ATOM 403 CB ILE A 29 -7.547 -3.765 -0.501 1.00 0.00 C ATOM 404 CG1 ILE A 29 -6.047 -4.022 -0.342 1.00 0.00 C ATOM 405 CG2 ILE A 29 -8.274 -5.097 -0.695 1.00 0.00 C ATOM 406 CD1 ILE A 29 -5.707 -4.159 1.142 1.00 0.00 C ATOM 0 H ILE A 29 -9.806 -3.559 -1.758 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.260 -1.920 -1.636 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.928 -3.270 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.764 -4.929 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.478 -3.203 -0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.105 -5.734 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.343 -4.915 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.893 -5.593 -1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.638 -4.342 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.975 -3.240 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.265 -4.993 1.568 1.00 0.00 H new ATOM 418 N LEU A 30 -6.059 -3.251 -3.383 1.00 0.00 N ATOM 419 CA LEU A 30 -5.496 -3.878 -4.613 1.00 0.00 C ATOM 420 C LEU A 30 -4.314 -4.781 -4.247 1.00 0.00 C ATOM 421 O LEU A 30 -4.108 -5.822 -4.839 1.00 0.00 O ATOM 422 CB LEU A 30 -5.030 -2.707 -5.478 1.00 0.00 C ATOM 423 CG LEU A 30 -6.188 -2.229 -6.356 1.00 0.00 C ATOM 424 CD1 LEU A 30 -6.760 -0.932 -5.783 1.00 0.00 C ATOM 425 CD2 LEU A 30 -5.682 -1.979 -7.778 1.00 0.00 C ATOM 0 H LEU A 30 -5.437 -2.599 -2.905 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.225 -4.501 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.678 -1.892 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.190 -3.013 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.966 -2.992 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.585 -0.591 -6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.122 -1.110 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.982 -0.169 -5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.507 -1.638 -8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.903 -1.217 -7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.274 -2.904 -8.187 1.00 0.00 H new ATOM 437 N VAL A 31 -3.538 -4.391 -3.273 1.00 0.00 N ATOM 438 CA VAL A 31 -2.371 -5.226 -2.866 1.00 0.00 C ATOM 439 C VAL A 31 -2.625 -5.848 -1.491 1.00 0.00 C ATOM 440 O VAL A 31 -3.417 -5.355 -0.712 1.00 0.00 O ATOM 441 CB VAL A 31 -1.190 -4.257 -2.803 1.00 0.00 C ATOM 442 CG1 VAL A 31 0.076 -5.023 -2.414 1.00 0.00 C ATOM 443 CG2 VAL A 31 -0.990 -3.605 -4.173 1.00 0.00 C ATOM 0 H VAL A 31 -3.661 -3.530 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.188 -6.046 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.392 -3.485 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.919 -4.333 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.065 -5.488 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.278 -5.794 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.148 -2.914 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.788 -4.376 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.892 -3.060 -4.452 1.00 0.00 H new ATOM 453 N LYS A 32 -1.958 -6.928 -1.185 1.00 0.00 N ATOM 454 CA LYS A 32 -2.162 -7.577 0.143 1.00 0.00 C ATOM 455 C LYS A 32 -0.845 -7.610 0.922 1.00 0.00 C ATOM 456 O LYS A 32 0.181 -7.174 0.442 1.00 0.00 O ATOM 457 CB LYS A 32 -2.631 -8.996 -0.177 1.00 0.00 C ATOM 458 CG LYS A 32 -4.152 -9.004 -0.350 1.00 0.00 C ATOM 459 CD LYS A 32 -4.814 -9.407 0.969 1.00 0.00 C ATOM 460 CE LYS A 32 -6.326 -9.195 0.867 1.00 0.00 C ATOM 461 NZ LYS A 32 -6.841 -9.435 2.244 1.00 0.00 N ATOM 0 H LYS A 32 -1.282 -7.388 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.883 -7.039 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.149 -9.353 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.342 -9.676 0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.499 -8.017 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.435 -9.701 -1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.597 -10.451 1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.407 -8.814 1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.561 -8.186 0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.774 -9.885 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.873 -9.308 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.608 -10.405 2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.402 -8.759 2.902 1.00 0.00 H new ATOM 475 N GLU A 33 -0.867 -8.127 2.120 1.00 0.00 N ATOM 476 CA GLU A 33 0.386 -8.188 2.925 1.00 0.00 C ATOM 477 C GLU A 33 1.273 -9.335 2.433 1.00 0.00 C ATOM 478 O GLU A 33 0.822 -10.448 2.254 1.00 0.00 O ATOM 479 CB GLU A 33 -0.077 -8.446 4.361 1.00 0.00 C ATOM 480 CG GLU A 33 1.031 -8.048 5.338 1.00 0.00 C ATOM 481 CD GLU A 33 2.142 -9.099 5.307 1.00 0.00 C ATOM 482 OE1 GLU A 33 1.833 -10.265 5.489 1.00 0.00 O ATOM 483 OE2 GLU A 33 3.284 -8.720 5.104 1.00 0.00 O ATOM 0 H GLU A 33 -1.696 -8.509 2.575 1.00 0.00 H new ATOM 0 HA GLU A 33 0.974 -7.274 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.982 -7.875 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.328 -9.499 4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.433 -7.071 5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.627 -7.961 6.347 1.00 0.00 H new ATOM 490 N GLY A 34 2.532 -9.072 2.211 1.00 0.00 N ATOM 491 CA GLY A 34 3.443 -10.150 1.730 1.00 0.00 C ATOM 492 C GLY A 34 3.524 -10.126 0.199 1.00 0.00 C ATOM 493 O GLY A 34 4.363 -10.774 -0.393 1.00 0.00 O ATOM 0 H GLY A 34 2.969 -8.159 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.437 -10.015 2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.081 -11.121 2.068 1.00 0.00 H new ATOM 497 N ASP A 35 2.660 -9.390 -0.451 1.00 0.00 N ATOM 498 CA ASP A 35 2.701 -9.341 -1.941 1.00 0.00 C ATOM 499 C ASP A 35 3.645 -8.233 -2.413 1.00 0.00 C ATOM 500 O ASP A 35 3.918 -7.288 -1.697 1.00 0.00 O ATOM 501 CB ASP A 35 1.265 -9.037 -2.366 1.00 0.00 C ATOM 502 CG ASP A 35 0.629 -10.299 -2.953 1.00 0.00 C ATOM 503 OD1 ASP A 35 0.792 -10.521 -4.141 1.00 0.00 O ATOM 504 OD2 ASP A 35 -0.008 -11.020 -2.205 1.00 0.00 O ATOM 0 H ASP A 35 1.932 -8.824 -0.016 1.00 0.00 H new ATOM 0 HA ASP A 35 3.068 -10.272 -2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.687 -8.690 -1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.255 -8.235 -3.104 1.00 0.00 H new ATOM 509 N THR A 36 4.147 -8.340 -3.613 1.00 0.00 N ATOM 510 CA THR A 36 5.073 -7.291 -4.132 1.00 0.00 C ATOM 511 C THR A 36 4.271 -6.168 -4.798 1.00 0.00 C ATOM 512 O THR A 36 3.067 -6.252 -4.933 1.00 0.00 O ATOM 513 CB THR A 36 5.971 -7.991 -5.167 1.00 0.00 C ATOM 514 OG1 THR A 36 5.725 -9.392 -5.166 1.00 0.00 O ATOM 515 CG2 THR A 36 7.440 -7.733 -4.825 1.00 0.00 C ATOM 0 H THR A 36 3.957 -9.108 -4.257 1.00 0.00 H new ATOM 0 HA THR A 36 5.663 -6.844 -3.332 1.00 0.00 H new ATOM 0 HB THR A 36 5.747 -7.592 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.301 -9.826 -5.830 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.077 -8.229 -5.558 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.635 -6.661 -4.842 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.657 -8.126 -3.832 1.00 0.00 H new ATOM 523 N VAL A 37 4.928 -5.120 -5.211 1.00 0.00 N ATOM 524 CA VAL A 37 4.199 -3.996 -5.864 1.00 0.00 C ATOM 525 C VAL A 37 5.157 -3.179 -6.734 1.00 0.00 C ATOM 526 O VAL A 37 6.361 -3.312 -6.643 1.00 0.00 O ATOM 527 CB VAL A 37 3.666 -3.149 -4.708 1.00 0.00 C ATOM 528 CG1 VAL A 37 4.838 -2.613 -3.883 1.00 0.00 C ATOM 529 CG2 VAL A 37 2.855 -1.978 -5.265 1.00 0.00 C ATOM 0 H VAL A 37 5.936 -4.993 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 37 3.399 -4.344 -6.517 1.00 0.00 H new ATOM 0 HB VAL A 37 3.028 -3.763 -4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.457 -2.009 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.415 -3.448 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.478 -1.999 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.475 -1.374 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.492 -1.364 -5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.019 -2.360 -5.850 1.00 0.00 H new ATOM 539 N LYS A 38 4.632 -2.336 -7.581 1.00 0.00 N ATOM 540 CA LYS A 38 5.513 -1.513 -8.458 1.00 0.00 C ATOM 541 C LYS A 38 5.242 -0.023 -8.233 1.00 0.00 C ATOM 542 O LYS A 38 4.289 0.354 -7.580 1.00 0.00 O ATOM 543 CB LYS A 38 5.140 -1.918 -9.884 1.00 0.00 C ATOM 544 CG LYS A 38 6.084 -3.022 -10.364 1.00 0.00 C ATOM 545 CD LYS A 38 5.619 -3.537 -11.727 1.00 0.00 C ATOM 546 CE LYS A 38 5.863 -2.462 -12.789 1.00 0.00 C ATOM 547 NZ LYS A 38 4.514 -2.154 -13.340 1.00 0.00 N ATOM 0 H LYS A 38 3.631 -2.182 -7.704 1.00 0.00 H new ATOM 0 HA LYS A 38 6.571 -1.676 -8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.108 -2.268 -9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.205 -1.055 -10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.102 -2.638 -10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.102 -3.839 -9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.158 -4.448 -11.986 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.560 -3.792 -11.689 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.324 -1.575 -12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.535 -2.822 -13.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.598 -1.424 -14.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.103 -3.015 -13.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.898 -1.807 -12.577 1.00 0.00 H new ATOM 561 N ALA A 39 6.073 0.828 -8.770 1.00 0.00 N ATOM 562 CA ALA A 39 5.863 2.293 -8.587 1.00 0.00 C ATOM 563 C ALA A 39 4.783 2.798 -9.548 1.00 0.00 C ATOM 564 O ALA A 39 4.953 2.782 -10.752 1.00 0.00 O ATOM 565 CB ALA A 39 7.212 2.931 -8.915 1.00 0.00 C ATOM 0 H ALA A 39 6.888 0.573 -9.327 1.00 0.00 H new ATOM 0 HA ALA A 39 5.530 2.539 -7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.140 4.013 -8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.972 2.546 -8.235 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.489 2.690 -9.941 1.00 0.00 H new ATOM 571 N GLY A 40 3.675 3.246 -9.026 1.00 0.00 N ATOM 572 CA GLY A 40 2.586 3.752 -9.909 1.00 0.00 C ATOM 573 C GLY A 40 1.442 2.736 -9.950 1.00 0.00 C ATOM 574 O GLY A 40 0.620 2.751 -10.845 1.00 0.00 O ATOM 0 H GLY A 40 3.476 3.284 -8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.221 4.710 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.970 3.923 -10.915 1.00 0.00 H new ATOM 578 N GLN A 41 1.377 1.855 -8.989 1.00 0.00 N ATOM 579 CA GLN A 41 0.282 0.844 -8.979 1.00 0.00 C ATOM 580 C GLN A 41 -0.702 1.149 -7.847 1.00 0.00 C ATOM 581 O GLN A 41 -0.341 1.167 -6.687 1.00 0.00 O ATOM 582 CB GLN A 41 0.979 -0.496 -8.740 1.00 0.00 C ATOM 583 CG GLN A 41 0.388 -1.552 -9.676 1.00 0.00 C ATOM 584 CD GLN A 41 0.690 -2.948 -9.129 1.00 0.00 C ATOM 585 OE1 GLN A 41 1.361 -3.733 -9.771 1.00 0.00 O ATOM 586 NE2 GLN A 41 0.222 -3.295 -7.962 1.00 0.00 N ATOM 0 H GLN A 41 2.034 1.792 -8.211 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.290 0.843 -9.907 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.050 -0.397 -8.916 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.853 -0.803 -7.702 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.689 -1.411 -9.766 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.809 -1.443 -10.676 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.341 -2.638 -7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.419 -4.224 -7.589 1.00 0.00 H new ATOM 595 N THR A 42 -1.942 1.391 -8.174 1.00 0.00 N ATOM 596 CA THR A 42 -2.944 1.698 -7.113 1.00 0.00 C ATOM 597 C THR A 42 -2.935 0.607 -6.040 1.00 0.00 C ATOM 598 O THR A 42 -3.604 -0.401 -6.157 1.00 0.00 O ATOM 599 CB THR A 42 -4.292 1.729 -7.834 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.252 2.701 -8.868 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.396 2.085 -6.838 1.00 0.00 C ATOM 0 H THR A 42 -2.304 1.390 -9.127 1.00 0.00 H new ATOM 0 HA THR A 42 -2.730 2.640 -6.608 1.00 0.00 H new ATOM 0 HB THR A 42 -4.497 0.749 -8.265 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.444 3.248 -8.772 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.357 2.107 -7.352 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.426 1.337 -6.045 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.194 3.065 -6.405 1.00 0.00 H new ATOM 609 N VAL A 43 -2.187 0.805 -4.989 1.00 0.00 N ATOM 610 CA VAL A 43 -2.141 -0.213 -3.904 1.00 0.00 C ATOM 611 C VAL A 43 -3.515 -0.327 -3.243 1.00 0.00 C ATOM 612 O VAL A 43 -3.919 -1.387 -2.807 1.00 0.00 O ATOM 613 CB VAL A 43 -1.114 0.315 -2.903 1.00 0.00 C ATOM 614 CG1 VAL A 43 -0.905 -0.717 -1.793 1.00 0.00 C ATOM 615 CG2 VAL A 43 0.213 0.571 -3.617 1.00 0.00 C ATOM 0 H VAL A 43 -1.606 1.629 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.874 -1.202 -4.275 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.478 1.247 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.172 -0.340 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.850 -0.898 -1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.543 -1.649 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.944 0.948 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.577 -0.359 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.065 1.308 -4.407 1.00 0.00 H new ATOM 625 N LEU A 44 -4.234 0.759 -3.163 1.00 0.00 N ATOM 626 CA LEU A 44 -5.582 0.705 -2.525 1.00 0.00 C ATOM 627 C LEU A 44 -6.475 1.830 -3.055 1.00 0.00 C ATOM 628 O LEU A 44 -6.084 2.597 -3.913 1.00 0.00 O ATOM 629 CB LEU A 44 -5.317 0.891 -1.031 1.00 0.00 C ATOM 630 CG LEU A 44 -5.519 -0.441 -0.307 1.00 0.00 C ATOM 631 CD1 LEU A 44 -4.368 -0.665 0.676 1.00 0.00 C ATOM 632 CD2 LEU A 44 -6.844 -0.412 0.457 1.00 0.00 C ATOM 0 H LEU A 44 -3.950 1.676 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.099 -0.231 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.301 1.252 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.990 1.645 -0.623 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.539 -1.251 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.510 -1.614 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.424 -0.686 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.349 0.146 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.987 -1.361 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.826 0.398 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.664 -0.252 -0.243 1.00 0.00 H new ATOM 644 N VAL A 45 -7.674 1.932 -2.548 1.00 0.00 N ATOM 645 CA VAL A 45 -8.598 3.003 -3.018 1.00 0.00 C ATOM 646 C VAL A 45 -9.241 3.705 -1.819 1.00 0.00 C ATOM 647 O VAL A 45 -9.834 3.077 -0.965 1.00 0.00 O ATOM 648 CB VAL A 45 -9.659 2.276 -3.845 1.00 0.00 C ATOM 649 CG1 VAL A 45 -10.728 3.274 -4.297 1.00 0.00 C ATOM 650 CG2 VAL A 45 -9.001 1.642 -5.072 1.00 0.00 C ATOM 0 H VAL A 45 -8.054 1.318 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.084 3.769 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.123 1.499 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.484 2.755 -4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.197 3.726 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.266 4.052 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.756 1.123 -5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.537 2.420 -5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.240 0.931 -4.750 1.00 0.00 H new ATOM 660 N LEU A 46 -9.128 5.003 -1.749 1.00 0.00 N ATOM 661 CA LEU A 46 -9.734 5.740 -0.604 1.00 0.00 C ATOM 662 C LEU A 46 -11.061 6.377 -1.026 1.00 0.00 C ATOM 663 O LEU A 46 -11.469 6.286 -2.166 1.00 0.00 O ATOM 664 CB LEU A 46 -8.716 6.820 -0.242 1.00 0.00 C ATOM 665 CG LEU A 46 -8.525 6.850 1.275 1.00 0.00 C ATOM 666 CD1 LEU A 46 -7.072 6.515 1.613 1.00 0.00 C ATOM 667 CD2 LEU A 46 -8.865 8.245 1.804 1.00 0.00 C ATOM 0 H LEU A 46 -8.644 5.584 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.950 5.083 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.765 6.619 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.059 7.792 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.183 6.116 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.936 6.536 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.831 5.521 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.412 7.249 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.729 8.267 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.207 8.980 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.901 8.483 1.564 1.00 0.00 H new ATOM 679 N GLU A 47 -11.736 7.020 -0.114 1.00 0.00 N ATOM 680 CA GLU A 47 -13.037 7.662 -0.462 1.00 0.00 C ATOM 681 C GLU A 47 -13.379 8.751 0.559 1.00 0.00 C ATOM 682 O GLU A 47 -13.902 8.477 1.622 1.00 0.00 O ATOM 683 CB GLU A 47 -14.066 6.533 -0.404 1.00 0.00 C ATOM 684 CG GLU A 47 -15.021 6.655 -1.593 1.00 0.00 C ATOM 685 CD GLU A 47 -16.415 6.178 -1.180 1.00 0.00 C ATOM 686 OE1 GLU A 47 -16.507 5.462 -0.197 1.00 0.00 O ATOM 687 OE2 GLU A 47 -17.365 6.536 -1.854 1.00 0.00 O ATOM 0 H GLU A 47 -11.444 7.129 0.857 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.011 8.140 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.563 5.566 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.624 6.582 0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.065 7.690 -1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.655 6.060 -2.430 1.00 0.00 H new ATOM 775 N THR A 53 -10.648 7.436 -5.149 1.00 0.00 N ATOM 776 CA THR A 53 -9.237 7.877 -5.341 1.00 0.00 C ATOM 777 C THR A 53 -8.314 6.663 -5.474 1.00 0.00 C ATOM 778 O THR A 53 -8.348 5.754 -4.668 1.00 0.00 O ATOM 779 CB THR A 53 -8.899 8.672 -4.079 1.00 0.00 C ATOM 780 OG1 THR A 53 -9.907 9.647 -3.852 1.00 0.00 O ATOM 781 CG2 THR A 53 -7.547 9.365 -4.256 1.00 0.00 C ATOM 0 HA THR A 53 -9.109 8.471 -6.246 1.00 0.00 H new ATOM 0 HB THR A 53 -8.848 7.995 -3.226 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.774 9.295 -4.143 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.308 9.931 -3.356 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.774 8.616 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.594 10.042 -5.109 1.00 0.00 H new ATOM 789 N GLU A 54 -7.489 6.641 -6.486 1.00 0.00 N ATOM 790 CA GLU A 54 -6.563 5.486 -6.671 1.00 0.00 C ATOM 791 C GLU A 54 -5.263 5.722 -5.896 1.00 0.00 C ATOM 792 O GLU A 54 -4.487 6.599 -6.219 1.00 0.00 O ATOM 793 CB GLU A 54 -6.291 5.434 -8.175 1.00 0.00 C ATOM 794 CG GLU A 54 -7.332 4.543 -8.854 1.00 0.00 C ATOM 795 CD GLU A 54 -8.639 5.319 -9.018 1.00 0.00 C ATOM 796 OE1 GLU A 54 -8.574 6.475 -9.404 1.00 0.00 O ATOM 797 OE2 GLU A 54 -9.684 4.745 -8.754 1.00 0.00 O ATOM 0 H GLU A 54 -7.416 7.373 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.987 4.552 -6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.327 6.439 -8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.289 5.046 -8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.967 4.216 -9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.502 3.646 -8.259 1.00 0.00 H new ATOM 804 N ILE A 55 -5.020 4.944 -4.877 1.00 0.00 N ATOM 805 CA ILE A 55 -3.770 5.123 -4.083 1.00 0.00 C ATOM 806 C ILE A 55 -2.603 4.413 -4.771 1.00 0.00 C ATOM 807 O ILE A 55 -2.336 3.256 -4.519 1.00 0.00 O ATOM 808 CB ILE A 55 -4.066 4.479 -2.730 1.00 0.00 C ATOM 809 CG1 ILE A 55 -5.200 5.242 -2.041 1.00 0.00 C ATOM 810 CG2 ILE A 55 -2.811 4.532 -1.856 1.00 0.00 C ATOM 811 CD1 ILE A 55 -5.644 4.481 -0.791 1.00 0.00 C ATOM 0 H ILE A 55 -5.632 4.192 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.490 6.172 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.363 3.441 -2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.866 6.244 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.040 5.360 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.021 4.073 -0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.002 3.991 -2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.515 5.570 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.451 5.025 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.995 3.489 -1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.802 4.386 -0.105 1.00 0.00 H new ATOM 823 N ASN A 56 -1.911 5.101 -5.642 1.00 0.00 N ATOM 824 CA ASN A 56 -0.759 4.479 -6.359 1.00 0.00 C ATOM 825 C ASN A 56 0.433 4.297 -5.417 1.00 0.00 C ATOM 826 O ASN A 56 0.787 5.183 -4.666 1.00 0.00 O ATOM 827 CB ASN A 56 -0.409 5.465 -7.473 1.00 0.00 C ATOM 828 CG ASN A 56 -1.600 5.613 -8.420 1.00 0.00 C ATOM 829 OD1 ASN A 56 -1.933 4.697 -9.146 1.00 0.00 O ATOM 830 ND2 ASN A 56 -2.261 6.738 -8.445 1.00 0.00 N ATOM 0 H ASN A 56 -2.096 6.073 -5.889 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.007 3.490 -6.744 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.148 6.434 -7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.464 5.113 -8.023 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.057 6.848 -9.074 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.982 7.507 -7.836 1.00 0.00 H new ATOM 837 N ALA A 57 1.058 3.153 -5.461 1.00 0.00 N ATOM 838 CA ALA A 57 2.235 2.908 -4.577 1.00 0.00 C ATOM 839 C ALA A 57 3.306 3.982 -4.807 1.00 0.00 C ATOM 840 O ALA A 57 3.378 4.562 -5.872 1.00 0.00 O ATOM 841 CB ALA A 57 2.759 1.531 -4.988 1.00 0.00 C ATOM 0 H ALA A 57 0.805 2.376 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 57 1.972 2.946 -3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.628 1.277 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.979 0.785 -4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.043 1.549 -6.040 1.00 0.00 H new ATOM 847 N PRO A 58 4.110 4.212 -3.796 1.00 0.00 N ATOM 848 CA PRO A 58 5.186 5.228 -3.904 1.00 0.00 C ATOM 849 C PRO A 58 6.312 4.721 -4.810 1.00 0.00 C ATOM 850 O PRO A 58 6.792 5.426 -5.675 1.00 0.00 O ATOM 851 CB PRO A 58 5.674 5.387 -2.466 1.00 0.00 C ATOM 852 CG PRO A 58 5.325 4.099 -1.791 1.00 0.00 C ATOM 853 CD PRO A 58 4.096 3.561 -2.479 1.00 0.00 C ATOM 0 HA PRO A 58 4.846 6.167 -4.340 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.748 5.571 -2.432 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.190 6.232 -1.977 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.149 3.390 -1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.134 4.259 -0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.133 2.475 -2.570 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.190 3.803 -1.924 1.00 0.00 H new ATOM 861 N THR A 59 6.738 3.502 -4.619 1.00 0.00 N ATOM 862 CA THR A 59 7.832 2.951 -5.470 1.00 0.00 C ATOM 863 C THR A 59 7.760 1.422 -5.502 1.00 0.00 C ATOM 864 O THR A 59 7.021 0.811 -4.756 1.00 0.00 O ATOM 865 CB THR A 59 9.126 3.412 -4.799 1.00 0.00 C ATOM 866 OG1 THR A 59 8.990 4.768 -4.391 1.00 0.00 O ATOM 867 CG2 THR A 59 10.289 3.287 -5.785 1.00 0.00 C ATOM 0 H THR A 59 6.376 2.864 -3.911 1.00 0.00 H new ATOM 0 HA THR A 59 7.763 3.293 -6.503 1.00 0.00 H new ATOM 0 HB THR A 59 9.325 2.788 -3.927 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.818 5.064 -3.959 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.210 3.616 -5.305 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.393 2.247 -6.095 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.094 3.908 -6.659 1.00 0.00 H new ATOM 875 N ASP A 60 8.522 0.800 -6.360 1.00 0.00 N ATOM 876 CA ASP A 60 8.496 -0.690 -6.437 1.00 0.00 C ATOM 877 C ASP A 60 9.013 -1.295 -5.130 1.00 0.00 C ATOM 878 O ASP A 60 9.902 -0.760 -4.497 1.00 0.00 O ATOM 879 CB ASP A 60 9.431 -1.041 -7.595 1.00 0.00 C ATOM 880 CG ASP A 60 10.813 -0.439 -7.338 1.00 0.00 C ATOM 881 OD1 ASP A 60 10.916 0.776 -7.326 1.00 0.00 O ATOM 882 OD2 ASP A 60 11.747 -1.204 -7.155 1.00 0.00 O ATOM 0 H ASP A 60 9.161 1.258 -7.010 1.00 0.00 H new ATOM 0 HA ASP A 60 7.490 -1.079 -6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.508 -2.123 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.025 -0.659 -8.532 1.00 0.00 H new ATOM 887 N GLY A 61 8.467 -2.407 -4.719 1.00 0.00 N ATOM 888 CA GLY A 61 8.931 -3.042 -3.452 1.00 0.00 C ATOM 889 C GLY A 61 7.886 -4.051 -2.971 1.00 0.00 C ATOM 890 O GLY A 61 7.098 -4.560 -3.741 1.00 0.00 O ATOM 0 H GLY A 61 7.720 -2.903 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.887 -3.541 -3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.093 -2.280 -2.690 1.00 0.00 H new ATOM 894 N LYS A 62 7.876 -4.345 -1.698 1.00 0.00 N ATOM 895 CA LYS A 62 6.881 -5.320 -1.164 1.00 0.00 C ATOM 896 C LYS A 62 6.209 -4.755 0.090 1.00 0.00 C ATOM 897 O LYS A 62 6.789 -3.973 0.817 1.00 0.00 O ATOM 898 CB LYS A 62 7.694 -6.568 -0.820 1.00 0.00 C ATOM 899 CG LYS A 62 6.745 -7.710 -0.450 1.00 0.00 C ATOM 900 CD LYS A 62 7.274 -8.436 0.788 1.00 0.00 C ATOM 901 CE LYS A 62 8.259 -9.528 0.362 1.00 0.00 C ATOM 902 NZ LYS A 62 8.922 -9.960 1.624 1.00 0.00 N ATOM 0 H LYS A 62 8.513 -3.952 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 62 6.088 -5.535 -1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.314 -6.857 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.368 -6.358 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.747 -7.318 -0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.657 -8.407 -1.283 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.767 -7.728 1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.447 -8.876 1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.743 -10.360 -0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.986 -9.147 -0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.613 -10.709 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.410 -9.149 2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.206 -10.324 2.285 1.00 0.00 H new ATOM 916 N VAL A 63 4.989 -5.140 0.348 1.00 0.00 N ATOM 917 CA VAL A 63 4.284 -4.620 1.554 1.00 0.00 C ATOM 918 C VAL A 63 4.878 -5.237 2.825 1.00 0.00 C ATOM 919 O VAL A 63 5.072 -6.433 2.918 1.00 0.00 O ATOM 920 CB VAL A 63 2.818 -5.039 1.365 1.00 0.00 C ATOM 921 CG1 VAL A 63 2.047 -4.906 2.684 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.171 -4.133 0.320 1.00 0.00 C ATOM 0 H VAL A 63 4.451 -5.791 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 63 4.383 -3.540 1.662 1.00 0.00 H new ATOM 0 HB VAL A 63 2.788 -6.079 1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.011 -5.207 2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.504 -5.547 3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.078 -3.870 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.130 -4.424 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.216 -3.098 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.705 -4.229 -0.626 1.00 0.00 H new ATOM 932 N GLU A 64 5.154 -4.424 3.805 1.00 0.00 N ATOM 933 CA GLU A 64 5.718 -4.953 5.079 1.00 0.00 C ATOM 934 C GLU A 64 4.625 -5.017 6.152 1.00 0.00 C ATOM 935 O GLU A 64 4.819 -5.575 7.214 1.00 0.00 O ATOM 936 CB GLU A 64 6.805 -3.954 5.475 1.00 0.00 C ATOM 937 CG GLU A 64 8.180 -4.544 5.158 1.00 0.00 C ATOM 938 CD GLU A 64 8.880 -4.931 6.462 1.00 0.00 C ATOM 939 OE1 GLU A 64 8.713 -4.216 7.436 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.571 -5.937 6.464 1.00 0.00 O ATOM 0 H GLU A 64 5.013 -3.414 3.780 1.00 0.00 H new ATOM 0 HA GLU A 64 6.115 -5.962 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.666 -3.017 4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.733 -3.724 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.073 -5.419 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.782 -3.818 4.611 1.00 0.00 H new ATOM 947 N LYS A 65 3.472 -4.451 5.887 1.00 0.00 N ATOM 948 CA LYS A 65 2.372 -4.485 6.895 1.00 0.00 C ATOM 949 C LYS A 65 1.127 -3.796 6.329 1.00 0.00 C ATOM 950 O LYS A 65 1.217 -2.788 5.657 1.00 0.00 O ATOM 951 CB LYS A 65 2.907 -3.714 8.105 1.00 0.00 C ATOM 952 CG LYS A 65 3.058 -4.667 9.291 1.00 0.00 C ATOM 953 CD LYS A 65 4.189 -4.178 10.199 1.00 0.00 C ATOM 954 CE LYS A 65 4.960 -5.381 10.748 1.00 0.00 C ATOM 955 NZ LYS A 65 6.066 -5.605 9.774 1.00 0.00 N ATOM 0 H LYS A 65 3.248 -3.968 5.017 1.00 0.00 H new ATOM 0 HA LYS A 65 2.087 -5.503 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.869 -3.261 7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.227 -2.902 8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.124 -4.718 9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.272 -5.675 8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.861 -3.526 9.641 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.781 -3.588 11.020 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.348 -5.179 11.747 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.319 -6.259 10.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.514 -6.524 9.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.684 -5.599 8.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.773 -4.849 9.872 1.00 0.00 H new ATOM 969 N VAL A 66 -0.034 -4.332 6.589 1.00 0.00 N ATOM 970 CA VAL A 66 -1.277 -3.702 6.057 1.00 0.00 C ATOM 971 C VAL A 66 -2.244 -3.380 7.198 1.00 0.00 C ATOM 972 O VAL A 66 -3.012 -4.217 7.631 1.00 0.00 O ATOM 973 CB VAL A 66 -1.883 -4.748 5.121 1.00 0.00 C ATOM 974 CG1 VAL A 66 -3.178 -4.201 4.517 1.00 0.00 C ATOM 975 CG2 VAL A 66 -0.893 -5.066 4.000 1.00 0.00 C ATOM 0 H VAL A 66 -0.176 -5.176 7.144 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.072 -2.763 5.543 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.098 -5.657 5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.611 -4.946 3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.885 -3.975 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.962 -3.292 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.326 -5.812 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.677 -4.158 3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.030 -5.455 4.429 1.00 0.00 H new ATOM 985 N LEU A 67 -2.220 -2.170 7.684 1.00 0.00 N ATOM 986 CA LEU A 67 -3.145 -1.793 8.791 1.00 0.00 C ATOM 987 C LEU A 67 -4.561 -1.581 8.245 1.00 0.00 C ATOM 988 O LEU A 67 -5.528 -1.587 8.980 1.00 0.00 O ATOM 989 CB LEU A 67 -2.585 -0.486 9.349 1.00 0.00 C ATOM 990 CG LEU A 67 -1.162 -0.720 9.863 1.00 0.00 C ATOM 991 CD1 LEU A 67 -0.193 0.205 9.125 1.00 0.00 C ATOM 992 CD2 LEU A 67 -1.108 -0.423 11.364 1.00 0.00 C ATOM 0 H LEU A 67 -1.601 -1.426 7.363 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.211 -2.566 9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.582 0.281 8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.220 -0.121 10.157 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.878 -1.757 9.686 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.820 0.038 9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.232 -0.006 8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.476 1.243 9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.095 -0.589 11.732 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.392 0.614 11.540 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.798 -1.083 11.890 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.691 -1.391 6.958 1.00 0.00 N ATOM 1005 CA VAL A 68 -6.043 -1.178 6.367 1.00 0.00 C ATOM 1006 C VAL A 68 -6.859 -2.471 6.426 1.00 0.00 C ATOM 1007 O VAL A 68 -6.337 -3.555 6.257 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.781 -0.779 4.913 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -7.104 -0.412 4.240 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -4.837 0.426 4.873 1.00 0.00 C ATOM 0 H VAL A 68 -3.919 -1.374 6.292 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.612 -0.419 6.905 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.323 -1.615 4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.919 -0.128 3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.776 -1.270 4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.562 0.424 4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.652 0.709 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.293 1.263 5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.893 0.165 5.352 1.00 0.00 H new ATOM 1020 N LYS A 69 -8.138 -2.366 6.660 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.988 -3.589 6.726 1.00 0.00 C ATOM 1022 C LYS A 69 -10.116 -3.511 5.690 1.00 0.00 C ATOM 1023 O LYS A 69 -11.078 -4.251 5.753 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.559 -3.598 8.144 1.00 0.00 C ATOM 1025 CG LYS A 69 -8.522 -4.177 9.108 1.00 0.00 C ATOM 1026 CD LYS A 69 -9.049 -5.487 9.699 1.00 0.00 C ATOM 1027 CE LYS A 69 -9.313 -6.486 8.571 1.00 0.00 C ATOM 1028 NZ LYS A 69 -8.212 -7.484 8.675 1.00 0.00 N ATOM 0 H LYS A 69 -8.632 -1.486 6.808 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.423 -4.496 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.827 -2.585 8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.472 -4.192 8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.582 -4.354 8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.313 -3.464 9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.324 -5.899 10.402 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.966 -5.303 10.258 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.288 -6.960 8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.309 -5.994 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.324 -8.204 7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.297 -7.005 8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.245 -7.942 9.608 1.00 0.00 H new ATOM 1042 N GLU A 70 -10.001 -2.623 4.733 1.00 0.00 N ATOM 1043 CA GLU A 70 -11.063 -2.492 3.685 1.00 0.00 C ATOM 1044 C GLU A 70 -12.399 -2.089 4.319 1.00 0.00 C ATOM 1045 O GLU A 70 -12.800 -2.617 5.338 1.00 0.00 O ATOM 1046 CB GLU A 70 -11.173 -3.873 3.032 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.012 -3.738 1.516 1.00 0.00 C ATOM 1048 CD GLU A 70 -11.410 -5.051 0.833 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -11.699 -6.004 1.538 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -11.418 -5.080 -0.387 1.00 0.00 O ATOM 0 H GLU A 70 -9.215 -1.981 4.632 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.814 -1.721 2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.407 -4.537 3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.138 -4.322 3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.633 -2.922 1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.979 -3.489 1.271 1.00 0.00 H new ATOM 1057 N ARG A 71 -13.090 -1.159 3.721 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.402 -0.722 4.282 1.00 0.00 C ATOM 1059 C ARG A 71 -14.242 -0.296 5.745 1.00 0.00 C ATOM 1060 O ARG A 71 -15.136 -0.462 6.550 1.00 0.00 O ATOM 1061 CB ARG A 71 -15.308 -1.949 4.177 1.00 0.00 C ATOM 1062 CG ARG A 71 -16.741 -1.503 3.874 1.00 0.00 C ATOM 1063 CD ARG A 71 -17.366 -2.452 2.851 1.00 0.00 C ATOM 1064 NE ARG A 71 -17.404 -1.676 1.581 1.00 0.00 N ATOM 1065 CZ ARG A 71 -18.542 -1.234 1.121 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -19.423 -0.725 1.938 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -18.798 -1.300 -0.157 1.00 0.00 N ATOM 0 H ARG A 71 -12.804 -0.681 2.867 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.812 0.135 3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.949 -2.613 3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.281 -2.514 5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -17.333 -1.498 4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.742 -0.484 3.488 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.773 -3.360 2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -18.366 -2.759 3.156 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.541 -1.490 1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.222 -0.673 2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.313 -0.380 1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.109 -1.697 -0.795 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -19.688 -0.955 -0.517 1.00 0.00 H new ATOM 1081 N ASP A 72 -13.111 0.255 6.091 1.00 0.00 N ATOM 1082 CA ASP A 72 -12.898 0.695 7.500 1.00 0.00 C ATOM 1083 C ASP A 72 -12.440 2.154 7.529 1.00 0.00 C ATOM 1084 O ASP A 72 -11.390 2.496 7.023 1.00 0.00 O ATOM 1085 CB ASP A 72 -11.803 -0.225 8.043 1.00 0.00 C ATOM 1086 CG ASP A 72 -11.909 -0.302 9.567 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -12.977 -0.641 10.050 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -10.922 -0.018 10.226 1.00 0.00 O ATOM 0 H ASP A 72 -12.326 0.420 5.461 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.809 0.635 8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.902 -1.221 7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.821 0.151 7.755 1.00 0.00 H new ATOM 1093 N ALA A 73 -13.221 3.020 8.115 1.00 0.00 N ATOM 1094 CA ALA A 73 -12.829 4.457 8.170 1.00 0.00 C ATOM 1095 C ALA A 73 -11.558 4.629 9.007 1.00 0.00 C ATOM 1096 O ALA A 73 -11.334 3.921 9.969 1.00 0.00 O ATOM 1097 CB ALA A 73 -14.010 5.167 8.834 1.00 0.00 C ATOM 0 H ALA A 73 -14.112 2.795 8.557 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.614 4.863 7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.797 6.233 8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.908 5.019 8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.168 4.756 9.831 1.00 0.00 H new ATOM 1103 N VAL A 74 -10.727 5.568 8.649 1.00 0.00 N ATOM 1104 CA VAL A 74 -9.473 5.790 9.423 1.00 0.00 C ATOM 1105 C VAL A 74 -9.250 7.289 9.643 1.00 0.00 C ATOM 1106 O VAL A 74 -9.183 8.061 8.706 1.00 0.00 O ATOM 1107 CB VAL A 74 -8.355 5.198 8.561 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -8.535 3.683 8.466 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -8.408 5.807 7.156 1.00 0.00 C ATOM 0 H VAL A 74 -10.862 6.192 7.853 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.509 5.325 10.408 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.390 5.424 9.016 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.740 3.260 7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.493 3.248 9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.501 3.459 8.013 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.611 5.383 6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.372 5.584 6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.279 6.887 7.223 1.00 0.00 H new ATOM 1119 N GLN A 75 -9.140 7.708 10.873 1.00 0.00 N ATOM 1120 CA GLN A 75 -8.928 9.157 11.153 1.00 0.00 C ATOM 1121 C GLN A 75 -7.485 9.553 10.827 1.00 0.00 C ATOM 1122 O GLN A 75 -6.605 8.719 10.746 1.00 0.00 O ATOM 1123 CB GLN A 75 -9.205 9.314 12.649 1.00 0.00 C ATOM 1124 CG GLN A 75 -10.543 10.029 12.847 1.00 0.00 C ATOM 1125 CD GLN A 75 -11.679 9.006 12.821 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -11.821 8.261 11.872 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -12.504 8.938 13.832 1.00 0.00 N ATOM 0 H GLN A 75 -9.188 7.110 11.698 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.574 9.795 10.550 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.228 8.336 13.130 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.403 9.882 13.121 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.544 10.565 13.796 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.690 10.771 12.062 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.386 9.563 14.629 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.266 8.260 13.824 1.00 0.00 H new ATOM 1136 N GLY A 76 -7.237 10.820 10.639 1.00 0.00 N ATOM 1137 CA GLY A 76 -5.852 11.269 10.317 1.00 0.00 C ATOM 1138 C GLY A 76 -4.904 10.847 11.440 1.00 0.00 C ATOM 1139 O GLY A 76 -5.166 11.072 12.605 1.00 0.00 O ATOM 0 H GLY A 76 -7.933 11.564 10.694 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.528 10.835 9.371 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.829 12.352 10.195 1.00 0.00 H new ATOM 1143 N GLY A 77 -3.803 10.236 11.100 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.837 9.798 12.149 1.00 0.00 C ATOM 1145 C GLY A 77 -2.840 8.269 12.265 1.00 0.00 C ATOM 1146 O GLY A 77 -2.086 7.700 13.029 1.00 0.00 O ATOM 0 H GLY A 77 -3.529 10.021 10.141 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.835 10.149 11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.103 10.243 13.108 1.00 0.00 H new ATOM 1150 N GLN A 78 -3.677 7.593 11.519 1.00 0.00 N ATOM 1151 CA GLN A 78 -3.712 6.105 11.602 1.00 0.00 C ATOM 1152 C GLN A 78 -2.884 5.491 10.469 1.00 0.00 C ATOM 1153 O GLN A 78 -3.117 5.754 9.306 1.00 0.00 O ATOM 1154 CB GLN A 78 -5.189 5.736 11.448 1.00 0.00 C ATOM 1155 CG GLN A 78 -5.349 4.217 11.531 1.00 0.00 C ATOM 1156 CD GLN A 78 -6.071 3.853 12.829 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -6.042 4.603 13.785 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -6.725 2.726 12.904 1.00 0.00 N ATOM 0 H GLN A 78 -4.335 8.007 10.859 1.00 0.00 H new ATOM 0 HA GLN A 78 -3.293 5.733 12.537 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.778 6.217 12.229 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.568 6.100 10.493 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.914 3.852 10.673 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.372 3.735 11.498 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.750 2.096 12.102 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.212 2.475 13.765 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.921 4.673 10.799 1.00 0.00 N ATOM 1168 CA GLY A 79 -1.082 4.044 9.739 1.00 0.00 C ATOM 1169 C GLY A 79 -1.971 3.205 8.820 1.00 0.00 C ATOM 1170 O GLY A 79 -2.853 2.500 9.267 1.00 0.00 O ATOM 0 H GLY A 79 -1.679 4.414 11.755 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.567 4.813 9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.314 3.417 10.192 1.00 0.00 H new ATOM 1174 N LEU A 80 -1.749 3.277 7.535 1.00 0.00 N ATOM 1175 CA LEU A 80 -2.587 2.484 6.590 1.00 0.00 C ATOM 1176 C LEU A 80 -1.781 1.316 6.015 1.00 0.00 C ATOM 1177 O LEU A 80 -2.156 0.168 6.147 1.00 0.00 O ATOM 1178 CB LEU A 80 -2.971 3.468 5.486 1.00 0.00 C ATOM 1179 CG LEU A 80 -3.950 4.503 6.045 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -4.010 5.709 5.105 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -5.340 3.877 6.163 1.00 0.00 C ATOM 0 H LEU A 80 -1.025 3.849 7.100 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.462 2.052 7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.081 3.965 5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.426 2.935 4.651 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.613 4.828 7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.707 6.446 5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.019 6.155 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.347 5.386 4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.038 4.613 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.677 3.552 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.297 3.019 6.833 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.678 1.597 5.378 1.00 0.00 N ATOM 1194 CA ILE A 81 0.146 0.500 4.794 1.00 0.00 C ATOM 1195 C ILE A 81 1.638 0.823 4.934 1.00 0.00 C ATOM 1196 O ILE A 81 2.014 1.919 5.301 1.00 0.00 O ATOM 1197 CB ILE A 81 -0.259 0.442 3.321 1.00 0.00 C ATOM 1198 CG1 ILE A 81 0.487 -0.702 2.630 1.00 0.00 C ATOM 1199 CG2 ILE A 81 0.093 1.766 2.641 1.00 0.00 C ATOM 1200 CD1 ILE A 81 -0.203 -1.036 1.306 1.00 0.00 C ATOM 0 H ILE A 81 -0.311 2.538 5.236 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.017 -0.453 5.298 1.00 0.00 H new ATOM 0 HB ILE A 81 -1.333 0.271 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.524 -0.418 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.505 -1.581 3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.196 1.724 1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.440 2.580 3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.167 1.939 2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.328 -1.851 0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.232 -1.338 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.197 -0.157 0.661 1.00 0.00 H new ATOM 1212 N LYS A 82 2.489 -0.125 4.651 1.00 0.00 N ATOM 1213 CA LYS A 82 3.955 0.124 4.775 1.00 0.00 C ATOM 1214 C LYS A 82 4.711 -0.597 3.652 1.00 0.00 C ATOM 1215 O LYS A 82 4.141 -1.366 2.905 1.00 0.00 O ATOM 1216 CB LYS A 82 4.325 -0.452 6.142 1.00 0.00 C ATOM 1217 CG LYS A 82 5.812 -0.226 6.427 1.00 0.00 C ATOM 1218 CD LYS A 82 6.141 1.270 6.342 1.00 0.00 C ATOM 1219 CE LYS A 82 7.618 1.489 6.675 1.00 0.00 C ATOM 1220 NZ LYS A 82 8.215 2.044 5.428 1.00 0.00 N ATOM 0 H LYS A 82 2.233 -1.062 4.339 1.00 0.00 H new ATOM 0 HA LYS A 82 4.213 1.180 4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.723 0.020 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.100 -1.518 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.063 -0.606 7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.417 -0.781 5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.924 1.644 5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.514 1.831 7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.736 2.179 7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.101 0.555 6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.161 2.424 5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.293 1.291 4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.608 2.805 5.062 1.00 0.00 H new ATOM 1234 N ILE A 83 5.990 -0.355 3.526 1.00 0.00 N ATOM 1235 CA ILE A 83 6.773 -1.029 2.448 1.00 0.00 C ATOM 1236 C ILE A 83 8.246 -1.148 2.855 1.00 0.00 C ATOM 1237 O ILE A 83 8.857 -0.197 3.302 1.00 0.00 O ATOM 1238 CB ILE A 83 6.623 -0.133 1.213 1.00 0.00 C ATOM 1239 CG1 ILE A 83 6.937 1.324 1.579 1.00 0.00 C ATOM 1240 CG2 ILE A 83 5.189 -0.223 0.691 1.00 0.00 C ATOM 1241 CD1 ILE A 83 7.583 2.025 0.382 1.00 0.00 C ATOM 0 H ILE A 83 6.525 0.278 4.121 1.00 0.00 H new ATOM 0 HA ILE A 83 6.415 -2.041 2.256 1.00 0.00 H new ATOM 0 HB ILE A 83 7.319 -0.468 0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.023 1.843 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.607 1.358 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.081 0.414 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.964 -1.255 0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.498 0.108 1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.806 3.060 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.507 1.511 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.898 2.004 -0.465 1.00 0.00 H new ATOM 1253 N GLY A 84 8.821 -2.311 2.705 1.00 0.00 N ATOM 1254 CA GLY A 84 10.253 -2.490 3.085 1.00 0.00 C ATOM 1255 C GLY A 84 10.459 -2.053 4.536 1.00 0.00 C ATOM 1256 O GLY A 84 9.472 -1.757 5.191 1.00 0.00 O ATOM 1257 OXT GLY A 84 11.599 -2.021 4.968 1.00 0.00 O ATOM 0 H GLY A 84 8.362 -3.144 2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.544 -3.534 2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.891 -1.903 2.424 1.00 0.00 H new