USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 463 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 67 THR OG1 : rot 106:sc= -1.24 USER MOD Set 1.2: A 70 SER OG : rot 118:sc= 1.05 USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0.0114 USER MOD Set 2.2: A 65 THR OG1 : rot -77:sc= -0.311 USER MOD Single : A 15 MET CE :methyl -140:sc= -1.42 (180deg=-6.88!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0136 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 146:sc= -2.58 (180deg=-4.68!) USER MOD Single : A 36 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.801 X(o=-0.8,f=-0.63) USER MOD Single : A 42 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.16) USER MOD Single : A 44 SER OG : rot 124:sc= -7.9! USER MOD Single : A 46 CYS SG : rot -27:sc= 0.538 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00254 X(o=-0.0025,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -170:sc= -4.2 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.946 K(o=-0.95,f=-4!) USER MOD Single : A 73 SER OG : rot 92:sc= 1.04 USER MOD Single : A 75 LYS NZ :NH3+ -145:sc= -1.64 (180deg=-4.15!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.204 -9.197 8.425 1.00 0.00 N ATOM 186 CA MET A 15 8.005 -8.005 8.645 1.00 0.00 C ATOM 187 C MET A 15 7.240 -6.746 8.232 1.00 0.00 C ATOM 188 O MET A 15 6.262 -6.825 7.491 1.00 0.00 O ATOM 189 CB MET A 15 9.301 -8.104 7.838 1.00 0.00 C ATOM 190 CG MET A 15 9.006 -8.346 6.356 1.00 0.00 C ATOM 191 SD MET A 15 10.090 -7.350 5.347 1.00 0.00 S ATOM 192 CE MET A 15 9.099 -5.873 5.192 1.00 0.00 C ATOM 0 HA MET A 15 8.234 -7.935 9.708 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.876 -7.185 7.953 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.915 -8.916 8.228 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.141 -9.401 6.117 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.966 -8.101 6.139 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.178 -5.487 4.176 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.057 -6.109 5.410 1.00 0.00 H new ATOM 0 HE3 MET A 15 9.455 -5.120 5.895 1.00 0.00 H new ATOM 202 N THR A 16 7.716 -5.614 8.729 1.00 0.00 N ATOM 203 CA THR A 16 7.089 -4.340 8.420 1.00 0.00 C ATOM 204 C THR A 16 8.069 -3.429 7.677 1.00 0.00 C ATOM 205 O THR A 16 9.271 -3.461 7.938 1.00 0.00 O ATOM 206 CB THR A 16 6.572 -3.737 9.728 1.00 0.00 C ATOM 207 OG1 THR A 16 5.460 -4.558 10.072 1.00 0.00 O ATOM 208 CG2 THR A 16 5.964 -2.347 9.533 1.00 0.00 C ATOM 0 H THR A 16 8.528 -5.552 9.343 1.00 0.00 H new ATOM 0 HA THR A 16 6.241 -4.470 7.748 1.00 0.00 H new ATOM 0 HB THR A 16 7.388 -3.677 10.448 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.065 -4.239 10.910 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.613 -1.966 10.492 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.719 -1.673 9.129 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.126 -2.411 8.839 1.00 0.00 H new ATOM 216 N GLU A 17 7.520 -2.640 6.766 1.00 0.00 N ATOM 217 CA GLU A 17 8.330 -1.722 5.984 1.00 0.00 C ATOM 218 C GLU A 17 7.662 -0.347 5.917 1.00 0.00 C ATOM 219 O GLU A 17 6.479 -0.213 6.227 1.00 0.00 O ATOM 220 CB GLU A 17 8.586 -2.276 4.581 1.00 0.00 C ATOM 221 CG GLU A 17 10.068 -2.600 4.382 1.00 0.00 C ATOM 222 CD GLU A 17 10.310 -3.243 3.014 1.00 0.00 C ATOM 223 OE1 GLU A 17 9.662 -2.783 2.049 1.00 0.00 O ATOM 224 OE2 GLU A 17 11.137 -4.179 2.965 1.00 0.00 O ATOM 0 H GLU A 17 6.523 -2.617 6.552 1.00 0.00 H new ATOM 0 HA GLU A 17 9.296 -1.611 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.990 -3.175 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.266 -1.549 3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.658 -1.688 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.406 -3.274 5.169 1.00 0.00 H new ATOM 231 N GLU A 18 8.448 0.639 5.512 1.00 0.00 N ATOM 232 CA GLU A 18 7.947 1.998 5.401 1.00 0.00 C ATOM 233 C GLU A 18 8.040 2.481 3.952 1.00 0.00 C ATOM 234 O GLU A 18 9.136 2.663 3.424 1.00 0.00 O ATOM 235 CB GLU A 18 8.701 2.939 6.342 1.00 0.00 C ATOM 236 CG GLU A 18 8.159 4.366 6.241 1.00 0.00 C ATOM 237 CD GLU A 18 8.636 5.219 7.418 1.00 0.00 C ATOM 238 OE1 GLU A 18 9.759 4.950 7.895 1.00 0.00 O ATOM 239 OE2 GLU A 18 7.866 6.121 7.814 1.00 0.00 O ATOM 0 H GLU A 18 9.429 0.524 5.257 1.00 0.00 H new ATOM 0 HA GLU A 18 6.899 2.003 5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.609 2.583 7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.763 2.931 6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.486 4.817 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.069 4.344 6.221 1.00 0.00 H new ATOM 246 N TYR A 19 6.876 2.676 3.350 1.00 0.00 N ATOM 247 CA TYR A 19 6.813 3.134 1.973 1.00 0.00 C ATOM 248 C TYR A 19 5.989 4.419 1.860 1.00 0.00 C ATOM 249 O TYR A 19 4.822 4.449 2.247 1.00 0.00 O ATOM 250 CB TYR A 19 6.111 2.023 1.190 1.00 0.00 C ATOM 251 CG TYR A 19 6.294 2.119 -0.326 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.537 1.905 -0.886 1.00 0.00 C ATOM 253 CD2 TYR A 19 5.216 2.419 -1.133 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.709 1.995 -2.313 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.388 2.509 -2.560 1.00 0.00 C ATOM 256 CZ TYR A 19 6.626 2.292 -3.079 1.00 0.00 C ATOM 257 OH TYR A 19 6.788 2.377 -4.427 1.00 0.00 O ATOM 0 H TYR A 19 5.969 2.525 3.791 1.00 0.00 H new ATOM 0 HA TYR A 19 7.813 3.346 1.593 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.488 1.059 1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.046 2.048 1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.381 1.670 -0.254 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.243 2.586 -0.695 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.676 1.830 -2.764 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.553 2.743 -3.203 1.00 0.00 H new ATOM 0 HH TYR A 19 5.930 2.595 -4.847 1.00 0.00 H new ATOM 267 N LYS A 20 6.630 5.450 1.329 1.00 0.00 N ATOM 268 CA LYS A 20 5.972 6.734 1.160 1.00 0.00 C ATOM 269 C LYS A 20 5.407 6.831 -0.258 1.00 0.00 C ATOM 270 O LYS A 20 6.041 6.386 -1.214 1.00 0.00 O ATOM 271 CB LYS A 20 6.924 7.876 1.522 1.00 0.00 C ATOM 272 CG LYS A 20 6.908 8.147 3.028 1.00 0.00 C ATOM 273 CD LYS A 20 6.953 9.649 3.315 1.00 0.00 C ATOM 274 CE LYS A 20 7.954 9.965 4.428 1.00 0.00 C ATOM 275 NZ LYS A 20 9.128 10.682 3.882 1.00 0.00 N ATOM 0 H LYS A 20 7.598 5.422 1.010 1.00 0.00 H new ATOM 0 HA LYS A 20 5.129 6.823 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.936 7.625 1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.636 8.779 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.010 7.716 3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.761 7.657 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.229 10.188 2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.961 9.998 3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.474 10.573 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.276 9.041 4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.797 10.889 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.595 10.089 3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.818 11.573 3.444 1.00 0.00 H new ATOM 289 N VAL A 21 4.221 7.414 -0.350 1.00 0.00 N ATOM 290 CA VAL A 21 3.564 7.575 -1.636 1.00 0.00 C ATOM 291 C VAL A 21 3.102 9.026 -1.791 1.00 0.00 C ATOM 292 O VAL A 21 2.972 9.748 -0.804 1.00 0.00 O ATOM 293 CB VAL A 21 2.421 6.567 -1.769 1.00 0.00 C ATOM 294 CG1 VAL A 21 2.954 5.175 -2.115 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.573 6.528 -0.496 1.00 0.00 C ATOM 0 H VAL A 21 3.698 7.781 0.445 1.00 0.00 H new ATOM 0 HA VAL A 21 4.260 7.367 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 21 1.781 6.894 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.121 4.478 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.494 5.217 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.627 4.837 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.768 5.804 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.198 6.238 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.149 7.515 -0.311 1.00 0.00 H new ATOM 305 N PRO A 22 2.861 9.419 -3.070 1.00 0.00 N ATOM 306 CA PRO A 22 2.417 10.770 -3.367 1.00 0.00 C ATOM 307 C PRO A 22 0.945 10.957 -2.995 1.00 0.00 C ATOM 308 O PRO A 22 0.080 10.237 -3.490 1.00 0.00 O ATOM 309 CB PRO A 22 2.683 10.954 -4.852 1.00 0.00 C ATOM 310 CG PRO A 22 2.831 9.555 -5.426 1.00 0.00 C ATOM 311 CD PRO A 22 3.004 8.590 -4.264 1.00 0.00 C ATOM 0 HA PRO A 22 2.946 11.525 -2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.863 11.488 -5.332 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.586 11.541 -5.017 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.953 9.289 -6.015 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.691 9.506 -6.094 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.253 7.800 -4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.979 8.104 -4.294 1.00 0.00 H new ATOM 319 N ASP A 23 0.706 11.929 -2.126 1.00 0.00 N ATOM 320 CA ASP A 23 -0.647 12.220 -1.683 1.00 0.00 C ATOM 321 C ASP A 23 -1.521 12.533 -2.898 1.00 0.00 C ATOM 322 O ASP A 23 -2.747 12.483 -2.815 1.00 0.00 O ATOM 323 CB ASP A 23 -0.672 13.437 -0.756 1.00 0.00 C ATOM 324 CG ASP A 23 -2.023 14.149 -0.660 1.00 0.00 C ATOM 325 OD1 ASP A 23 -3.037 13.427 -0.540 1.00 0.00 O ATOM 326 OD2 ASP A 23 -2.012 15.398 -0.708 1.00 0.00 O ATOM 0 H ASP A 23 1.426 12.524 -1.717 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.021 11.349 -1.145 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.374 13.120 0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.075 14.152 -1.100 1.00 0.00 H new ATOM 331 N GLY A 24 -0.856 12.850 -4.000 1.00 0.00 N ATOM 332 CA GLY A 24 -1.558 13.171 -5.231 1.00 0.00 C ATOM 333 C GLY A 24 -1.922 11.901 -6.003 1.00 0.00 C ATOM 334 O GLY A 24 -2.389 11.973 -7.138 1.00 0.00 O ATOM 0 H GLY A 24 0.161 12.891 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.463 13.733 -5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.934 13.812 -5.853 1.00 0.00 H new ATOM 338 N MET A 25 -1.693 10.768 -5.355 1.00 0.00 N ATOM 339 CA MET A 25 -1.991 9.484 -5.966 1.00 0.00 C ATOM 340 C MET A 25 -2.694 8.555 -4.974 1.00 0.00 C ATOM 341 O MET A 25 -3.671 7.894 -5.323 1.00 0.00 O ATOM 342 CB MET A 25 -0.692 8.832 -6.444 1.00 0.00 C ATOM 343 CG MET A 25 -0.022 9.676 -7.530 1.00 0.00 C ATOM 344 SD MET A 25 -1.137 9.898 -8.905 1.00 0.00 S ATOM 345 CE MET A 25 -1.016 8.288 -9.665 1.00 0.00 C ATOM 0 H MET A 25 -1.305 10.713 -4.413 1.00 0.00 H new ATOM 0 HA MET A 25 -2.657 9.651 -6.813 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.011 8.710 -5.602 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.902 7.835 -6.831 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.265 10.646 -7.123 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.893 9.189 -7.868 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.979 8.017 -10.099 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.259 8.312 -10.449 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.737 7.551 -8.913 1.00 0.00 H new ATOM 355 N VAL A 26 -2.169 8.534 -3.758 1.00 0.00 N ATOM 356 CA VAL A 26 -2.734 7.696 -2.713 1.00 0.00 C ATOM 357 C VAL A 26 -4.260 7.782 -2.767 1.00 0.00 C ATOM 358 O VAL A 26 -4.941 6.760 -2.842 1.00 0.00 O ATOM 359 CB VAL A 26 -2.160 8.098 -1.353 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.573 9.525 -0.984 1.00 0.00 C ATOM 361 CG2 VAL A 26 -2.581 7.107 -0.266 1.00 0.00 C ATOM 0 H VAL A 26 -1.359 9.084 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.461 6.652 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.073 8.072 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.152 9.786 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.201 10.218 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.660 9.588 -0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.160 7.416 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.668 7.086 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.215 6.112 -0.519 1.00 0.00 H new ATOM 371 N GLY A 27 -4.754 9.010 -2.727 1.00 0.00 N ATOM 372 CA GLY A 27 -6.188 9.243 -2.770 1.00 0.00 C ATOM 373 C GLY A 27 -6.846 8.408 -3.871 1.00 0.00 C ATOM 374 O GLY A 27 -7.974 7.944 -3.713 1.00 0.00 O ATOM 0 H GLY A 27 -4.187 9.855 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.630 8.993 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.383 10.301 -2.945 1.00 0.00 H new ATOM 378 N PHE A 28 -6.112 8.241 -4.961 1.00 0.00 N ATOM 379 CA PHE A 28 -6.610 7.470 -6.087 1.00 0.00 C ATOM 380 C PHE A 28 -6.285 5.984 -5.921 1.00 0.00 C ATOM 381 O PHE A 28 -6.987 5.128 -6.457 1.00 0.00 O ATOM 382 CB PHE A 28 -5.903 7.997 -7.338 1.00 0.00 C ATOM 383 CG PHE A 28 -5.785 6.970 -8.466 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.847 6.182 -8.781 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.618 6.846 -9.153 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.738 5.229 -9.828 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.508 5.893 -10.200 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.571 5.105 -10.516 1.00 0.00 C ATOM 0 H PHE A 28 -5.176 8.626 -5.088 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.693 7.572 -6.158 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.444 8.868 -7.709 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.904 8.335 -7.063 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.774 6.281 -8.235 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.775 7.472 -8.902 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.582 4.603 -10.078 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.581 5.794 -10.745 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.488 4.381 -11.313 1.00 0.00 H new ATOM 398 N ILE A 29 -5.221 5.723 -5.176 1.00 0.00 N ATOM 399 CA ILE A 29 -4.795 4.356 -4.932 1.00 0.00 C ATOM 400 C ILE A 29 -5.887 3.616 -4.157 1.00 0.00 C ATOM 401 O ILE A 29 -6.020 2.399 -4.274 1.00 0.00 O ATOM 402 CB ILE A 29 -3.429 4.335 -4.242 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.379 5.064 -5.082 1.00 0.00 C ATOM 404 CG2 ILE A 29 -3.004 2.903 -3.910 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.970 4.572 -4.747 1.00 0.00 C ATOM 0 H ILE A 29 -4.641 6.436 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.658 3.826 -5.875 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.515 4.872 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.581 4.905 -6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.446 6.137 -4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.030 2.917 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.739 2.451 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.940 2.320 -4.829 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.243 5.107 -5.358 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.762 4.755 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.900 3.504 -4.951 1.00 0.00 H new ATOM 417 N ILE A 30 -6.641 4.383 -3.382 1.00 0.00 N ATOM 418 CA ILE A 30 -7.717 3.815 -2.588 1.00 0.00 C ATOM 419 C ILE A 30 -8.739 3.157 -3.517 1.00 0.00 C ATOM 420 O ILE A 30 -8.957 1.949 -3.449 1.00 0.00 O ATOM 421 CB ILE A 30 -8.319 4.877 -1.665 1.00 0.00 C ATOM 422 CG1 ILE A 30 -7.230 5.571 -0.844 1.00 0.00 C ATOM 423 CG2 ILE A 30 -9.412 4.277 -0.778 1.00 0.00 C ATOM 424 CD1 ILE A 30 -7.843 6.532 0.177 1.00 0.00 C ATOM 0 H ILE A 30 -6.528 5.392 -3.287 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.334 3.034 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.790 5.640 -2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.626 4.824 -0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.562 6.118 -1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.823 5.053 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.205 3.868 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.988 3.482 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.048 7.012 0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.426 7.292 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.492 5.977 0.855 1.00 0.00 H new ATOM 436 N GLY A 31 -9.337 3.981 -4.365 1.00 0.00 N ATOM 437 CA GLY A 31 -10.330 3.495 -5.307 1.00 0.00 C ATOM 438 C GLY A 31 -11.720 4.038 -4.968 1.00 0.00 C ATOM 439 O GLY A 31 -11.918 4.626 -3.906 1.00 0.00 O ATOM 0 H GLY A 31 -9.152 4.983 -4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.055 3.795 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.348 2.405 -5.292 1.00 0.00 H new ATOM 481 N GLU A 35 -11.390 -0.207 -3.105 1.00 0.00 N ATOM 482 CA GLU A 35 -11.210 -1.525 -3.689 1.00 0.00 C ATOM 483 C GLU A 35 -9.935 -1.562 -4.534 1.00 0.00 C ATOM 484 O GLU A 35 -9.321 -2.616 -4.691 1.00 0.00 O ATOM 485 CB GLU A 35 -12.430 -1.928 -4.519 1.00 0.00 C ATOM 486 CG GLU A 35 -12.439 -1.205 -5.868 1.00 0.00 C ATOM 487 CD GLU A 35 -13.673 -1.587 -6.687 1.00 0.00 C ATOM 488 OE1 GLU A 35 -13.940 -2.805 -6.777 1.00 0.00 O ATOM 489 OE2 GLU A 35 -14.323 -0.653 -7.205 1.00 0.00 O ATOM 0 HA GLU A 35 -11.107 -2.248 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.425 -3.006 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.342 -1.692 -3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.425 -0.127 -5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.536 -1.456 -6.425 1.00 0.00 H new ATOM 496 N GLN A 36 -9.575 -0.398 -5.055 1.00 0.00 N ATOM 497 CA GLN A 36 -8.385 -0.284 -5.880 1.00 0.00 C ATOM 498 C GLN A 36 -7.159 -0.790 -5.116 1.00 0.00 C ATOM 499 O GLN A 36 -6.341 -1.526 -5.665 1.00 0.00 O ATOM 500 CB GLN A 36 -8.181 1.157 -6.352 1.00 0.00 C ATOM 501 CG GLN A 36 -6.894 1.289 -7.169 1.00 0.00 C ATOM 502 CD GLN A 36 -7.201 1.381 -8.665 1.00 0.00 C ATOM 503 OE1 GLN A 36 -8.344 1.363 -9.093 1.00 0.00 O ATOM 504 NE2 GLN A 36 -6.121 1.481 -9.434 1.00 0.00 N ATOM 0 H GLN A 36 -10.087 0.474 -4.922 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.519 -0.906 -6.765 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.033 1.470 -6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.139 1.823 -5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.347 2.177 -6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.249 0.431 -6.979 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.193 1.490 -9.011 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.221 1.548 -10.447 1.00 0.00 H new ATOM 513 N ILE A 37 -7.071 -0.374 -3.861 1.00 0.00 N ATOM 514 CA ILE A 37 -5.959 -0.775 -3.016 1.00 0.00 C ATOM 515 C ILE A 37 -6.079 -2.266 -2.697 1.00 0.00 C ATOM 516 O ILE A 37 -5.114 -3.015 -2.844 1.00 0.00 O ATOM 517 CB ILE A 37 -5.882 0.115 -1.774 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.500 0.030 -1.123 1.00 0.00 C ATOM 519 CG2 ILE A 37 -7.002 -0.222 -0.787 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.544 1.060 -1.728 1.00 0.00 C ATOM 0 H ILE A 37 -7.752 0.237 -3.409 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.013 -0.635 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.028 1.149 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.589 0.198 -0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.092 -0.972 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.924 0.425 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.968 -0.069 -1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.912 -1.263 -0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.569 0.978 -1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.438 0.875 -2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.943 2.062 -1.571 1.00 0.00 H new ATOM 532 N SER A 38 -7.271 -2.653 -2.267 1.00 0.00 N ATOM 533 CA SER A 38 -7.529 -4.042 -1.927 1.00 0.00 C ATOM 534 C SER A 38 -6.956 -4.961 -3.007 1.00 0.00 C ATOM 535 O SER A 38 -6.290 -5.949 -2.698 1.00 0.00 O ATOM 536 CB SER A 38 -9.027 -4.297 -1.754 1.00 0.00 C ATOM 537 OG SER A 38 -9.288 -5.566 -1.159 1.00 0.00 O ATOM 0 H SER A 38 -8.069 -2.029 -2.146 1.00 0.00 H new ATOM 0 HA SER A 38 -7.039 -4.258 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.459 -3.511 -1.135 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.518 -4.244 -2.726 1.00 0.00 H new ATOM 0 HG SER A 38 -10.255 -5.690 -1.064 1.00 0.00 H new ATOM 543 N ARG A 39 -7.234 -4.604 -4.252 1.00 0.00 N ATOM 544 CA ARG A 39 -6.754 -5.384 -5.380 1.00 0.00 C ATOM 545 C ARG A 39 -5.235 -5.550 -5.303 1.00 0.00 C ATOM 546 O ARG A 39 -4.698 -6.577 -5.714 1.00 0.00 O ATOM 547 CB ARG A 39 -7.121 -4.717 -6.707 1.00 0.00 C ATOM 548 CG ARG A 39 -7.722 -5.730 -7.683 1.00 0.00 C ATOM 549 CD ARG A 39 -8.822 -5.088 -8.532 1.00 0.00 C ATOM 550 NE ARG A 39 -10.105 -5.105 -7.795 1.00 0.00 N ATOM 551 CZ ARG A 39 -11.305 -4.955 -8.372 1.00 0.00 C ATOM 552 NH1 ARG A 39 -11.393 -4.776 -9.697 1.00 0.00 N ATOM 553 NH2 ARG A 39 -12.417 -4.984 -7.625 1.00 0.00 N ATOM 0 H ARG A 39 -7.786 -3.784 -4.505 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.232 -6.362 -5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.834 -3.912 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.233 -4.264 -7.148 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.940 -6.123 -8.332 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.131 -6.575 -7.129 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.549 -4.062 -8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.927 -5.627 -9.474 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.074 -5.239 -6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.547 -4.754 -10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.306 -4.662 -10.137 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.350 -5.120 -6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.330 -4.870 -8.065 1.00 0.00 H new ATOM 567 N ILE A 40 -4.586 -4.523 -4.774 1.00 0.00 N ATOM 568 CA ILE A 40 -3.140 -4.542 -4.637 1.00 0.00 C ATOM 569 C ILE A 40 -2.755 -5.427 -3.449 1.00 0.00 C ATOM 570 O ILE A 40 -1.731 -6.107 -3.483 1.00 0.00 O ATOM 571 CB ILE A 40 -2.591 -3.117 -4.546 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.207 -2.222 -5.624 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.062 -3.113 -4.602 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.802 -0.761 -5.420 1.00 0.00 C ATOM 0 H ILE A 40 -5.035 -3.672 -4.435 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.680 -4.980 -5.523 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.878 -2.702 -3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.884 -2.558 -6.609 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.293 -2.309 -5.597 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.698 -2.088 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.666 -3.693 -3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.731 -3.555 -5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.253 -0.146 -6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.147 -0.421 -4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.717 -0.674 -5.472 1.00 0.00 H new ATOM 586 N GLN A 41 -3.597 -5.388 -2.427 1.00 0.00 N ATOM 587 CA GLN A 41 -3.358 -6.177 -1.231 1.00 0.00 C ATOM 588 C GLN A 41 -3.586 -7.662 -1.520 1.00 0.00 C ATOM 589 O GLN A 41 -2.893 -8.519 -0.973 1.00 0.00 O ATOM 590 CB GLN A 41 -4.241 -5.702 -0.075 1.00 0.00 C ATOM 591 CG GLN A 41 -3.701 -4.406 0.531 1.00 0.00 C ATOM 592 CD GLN A 41 -4.454 -4.044 1.813 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.780 -4.888 2.631 1.00 0.00 O ATOM 594 NE2 GLN A 41 -4.711 -2.746 1.941 1.00 0.00 N ATOM 0 H GLN A 41 -4.445 -4.822 -2.403 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.319 -6.040 -0.931 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.259 -5.544 -0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.288 -6.475 0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.639 -4.517 0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.796 -3.595 -0.192 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.410 -2.093 1.218 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.210 -2.403 2.762 1.00 0.00 H new ATOM 603 N GLN A 42 -4.560 -7.922 -2.380 1.00 0.00 N ATOM 604 CA GLN A 42 -4.888 -9.289 -2.749 1.00 0.00 C ATOM 605 C GLN A 42 -3.941 -9.785 -3.844 1.00 0.00 C ATOM 606 O GLN A 42 -3.674 -10.981 -3.943 1.00 0.00 O ATOM 607 CB GLN A 42 -6.348 -9.402 -3.194 1.00 0.00 C ATOM 608 CG GLN A 42 -7.298 -9.233 -2.007 1.00 0.00 C ATOM 609 CD GLN A 42 -8.081 -10.520 -1.744 1.00 0.00 C ATOM 610 OE1 GLN A 42 -8.617 -11.146 -2.644 1.00 0.00 O ATOM 611 NE2 GLN A 42 -8.118 -10.880 -0.464 1.00 0.00 N ATOM 0 H GLN A 42 -5.133 -7.209 -2.832 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.760 -9.922 -1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.562 -8.643 -3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.515 -10.372 -3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.730 -8.961 -1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.991 -8.415 -2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.648 -10.311 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.617 -11.725 -0.186 1.00 0.00 H new ATOM 620 N GLU A 43 -3.460 -8.840 -4.638 1.00 0.00 N ATOM 621 CA GLU A 43 -2.549 -9.166 -5.722 1.00 0.00 C ATOM 622 C GLU A 43 -1.172 -9.536 -5.165 1.00 0.00 C ATOM 623 O GLU A 43 -0.579 -10.531 -5.578 1.00 0.00 O ATOM 624 CB GLU A 43 -2.444 -8.009 -6.717 1.00 0.00 C ATOM 625 CG GLU A 43 -3.459 -8.167 -7.851 1.00 0.00 C ATOM 626 CD GLU A 43 -2.957 -9.159 -8.902 1.00 0.00 C ATOM 627 OE1 GLU A 43 -2.721 -10.325 -8.516 1.00 0.00 O ATOM 628 OE2 GLU A 43 -2.820 -8.730 -10.068 1.00 0.00 O ATOM 0 H GLU A 43 -3.684 -7.849 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.947 -10.028 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.614 -7.064 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.436 -7.970 -7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.411 -8.511 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.642 -7.199 -8.318 1.00 0.00 H new ATOM 635 N SER A 44 -0.705 -8.716 -4.235 1.00 0.00 N ATOM 636 CA SER A 44 0.590 -8.944 -3.617 1.00 0.00 C ATOM 637 C SER A 44 0.415 -9.706 -2.302 1.00 0.00 C ATOM 638 O SER A 44 1.396 -10.059 -1.650 1.00 0.00 O ATOM 639 CB SER A 44 1.324 -7.624 -3.372 1.00 0.00 C ATOM 640 OG SER A 44 1.350 -7.276 -1.991 1.00 0.00 O ATOM 0 H SER A 44 -1.201 -7.892 -3.894 1.00 0.00 H new ATOM 0 HA SER A 44 1.194 -9.543 -4.299 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.345 -7.702 -3.745 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.838 -6.829 -3.937 1.00 0.00 H new ATOM 0 HG SER A 44 2.278 -7.144 -1.704 1.00 0.00 H new ATOM 646 N GLY A 45 -0.842 -9.938 -1.952 1.00 0.00 N ATOM 647 CA GLY A 45 -1.158 -10.652 -0.727 1.00 0.00 C ATOM 648 C GLY A 45 -0.404 -10.057 0.464 1.00 0.00 C ATOM 649 O GLY A 45 0.030 -10.786 1.356 1.00 0.00 O ATOM 0 H GLY A 45 -1.653 -9.644 -2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.231 -10.607 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.898 -11.705 -0.838 1.00 0.00 H new ATOM 653 N CYS A 46 -0.271 -8.739 0.441 1.00 0.00 N ATOM 654 CA CYS A 46 0.423 -8.038 1.508 1.00 0.00 C ATOM 655 C CYS A 46 -0.538 -7.012 2.112 1.00 0.00 C ATOM 656 O CYS A 46 -1.494 -6.593 1.461 1.00 0.00 O ATOM 657 CB CYS A 46 1.715 -7.387 1.010 1.00 0.00 C ATOM 658 SG CYS A 46 3.063 -7.670 2.215 1.00 0.00 S ATOM 0 H CYS A 46 -0.632 -8.138 -0.300 1.00 0.00 H new ATOM 0 HA CYS A 46 0.725 -8.748 2.278 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.990 -7.801 0.040 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.562 -6.317 0.868 1.00 0.00 H new ATOM 0 HG CYS A 46 2.558 -7.818 3.404 1.00 0.00 H new ATOM 664 N LYS A 47 -0.249 -6.635 3.349 1.00 0.00 N ATOM 665 CA LYS A 47 -1.075 -5.666 4.048 1.00 0.00 C ATOM 666 C LYS A 47 -0.588 -4.254 3.717 1.00 0.00 C ATOM 667 O LYS A 47 0.614 -4.019 3.604 1.00 0.00 O ATOM 668 CB LYS A 47 -1.106 -5.970 5.547 1.00 0.00 C ATOM 669 CG LYS A 47 -2.327 -5.331 6.212 1.00 0.00 C ATOM 670 CD LYS A 47 -3.193 -6.388 6.900 1.00 0.00 C ATOM 671 CE LYS A 47 -4.437 -5.754 7.526 1.00 0.00 C ATOM 672 NZ LYS A 47 -4.553 -6.139 8.951 1.00 0.00 N ATOM 0 H LYS A 47 0.546 -6.983 3.885 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.109 -5.734 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.126 -7.049 5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.195 -5.597 6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.002 -4.591 6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.918 -4.802 5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.492 -7.146 6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.612 -6.895 7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.382 -4.669 7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.327 -6.072 6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.402 -5.701 9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.627 -7.174 9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.711 -5.814 9.468 1.00 0.00 H new ATOM 686 N ILE A 48 -1.546 -3.351 3.570 1.00 0.00 N ATOM 687 CA ILE A 48 -1.230 -1.968 3.254 1.00 0.00 C ATOM 688 C ILE A 48 -2.054 -1.043 4.152 1.00 0.00 C ATOM 689 O ILE A 48 -3.243 -0.837 3.913 1.00 0.00 O ATOM 690 CB ILE A 48 -1.419 -1.704 1.759 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.452 -2.546 0.926 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.295 -0.211 1.447 1.00 0.00 C ATOM 693 CD1 ILE A 48 -1.017 -2.809 -0.471 1.00 0.00 C ATOM 0 H ILE A 48 -2.542 -3.550 3.664 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.180 -1.760 3.460 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.429 -2.008 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.506 -2.032 0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.263 -3.494 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.433 -0.050 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.056 0.340 1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.307 0.142 1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.309 -3.410 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.962 -3.345 -0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.182 -1.860 -0.981 1.00 0.00 H new ATOM 705 N GLN A 49 -1.389 -0.510 5.166 1.00 0.00 N ATOM 706 CA GLN A 49 -2.045 0.389 6.101 1.00 0.00 C ATOM 707 C GLN A 49 -1.684 1.841 5.783 1.00 0.00 C ATOM 708 O GLN A 49 -0.597 2.304 6.125 1.00 0.00 O ATOM 709 CB GLN A 49 -1.682 0.038 7.545 1.00 0.00 C ATOM 710 CG GLN A 49 -2.486 -1.169 8.034 1.00 0.00 C ATOM 711 CD GLN A 49 -2.274 -1.398 9.532 1.00 0.00 C ATOM 712 OE1 GLN A 49 -1.246 -1.886 9.973 1.00 0.00 O ATOM 713 NE2 GLN A 49 -3.301 -1.020 10.288 1.00 0.00 N ATOM 0 H GLN A 49 -0.403 -0.683 5.361 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.123 0.271 5.993 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.616 -0.179 7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.875 0.894 8.191 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.546 -1.010 7.833 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.186 -2.059 7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.132 -0.618 9.855 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.257 -1.132 11.301 1.00 0.00 H new ATOM 722 N ILE A 50 -2.617 2.520 5.131 1.00 0.00 N ATOM 723 CA ILE A 50 -2.412 3.911 4.763 1.00 0.00 C ATOM 724 C ILE A 50 -3.109 4.812 5.784 1.00 0.00 C ATOM 725 O ILE A 50 -4.307 4.672 6.025 1.00 0.00 O ATOM 726 CB ILE A 50 -2.859 4.154 3.320 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.374 3.033 2.399 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.408 5.533 2.832 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.770 3.307 0.947 1.00 0.00 C ATOM 0 H ILE A 50 -3.517 2.132 4.848 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.351 4.161 4.790 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.949 4.143 3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.290 2.940 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.798 2.083 2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.738 5.681 1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.843 6.304 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.321 5.597 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.413 2.495 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.855 3.375 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.324 4.246 0.619 1.00 0.00 H new ATOM 741 N ALA A 51 -2.329 5.718 6.356 1.00 0.00 N ATOM 742 CA ALA A 51 -2.856 6.643 7.345 1.00 0.00 C ATOM 743 C ALA A 51 -3.859 7.584 6.673 1.00 0.00 C ATOM 744 O ALA A 51 -3.805 7.791 5.462 1.00 0.00 O ATOM 745 CB ALA A 51 -1.701 7.397 8.006 1.00 0.00 C ATOM 0 H ALA A 51 -1.336 5.831 6.153 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.385 6.104 8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.097 8.091 8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.034 6.686 8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.148 7.952 7.248 1.00 0.00 H new ATOM 821 N PRO A 58 4.189 15.782 2.159 1.00 0.00 N ATOM 822 CA PRO A 58 4.141 15.694 0.709 1.00 0.00 C ATOM 823 C PRO A 58 3.864 14.260 0.255 1.00 0.00 C ATOM 824 O PRO A 58 3.261 14.042 -0.795 1.00 0.00 O ATOM 825 CB PRO A 58 5.488 16.217 0.239 1.00 0.00 C ATOM 826 CG PRO A 58 6.409 16.141 1.445 1.00 0.00 C ATOM 827 CD PRO A 58 5.547 15.920 2.677 1.00 0.00 C ATOM 0 HA PRO A 58 3.329 16.280 0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.874 15.617 -0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.404 17.241 -0.124 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.124 15.327 1.328 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.986 17.060 1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.856 15.028 3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.623 16.758 3.369 1.00 0.00 H new ATOM 835 N GLU A 59 4.319 13.318 1.068 1.00 0.00 N ATOM 836 CA GLU A 59 4.129 11.910 0.763 1.00 0.00 C ATOM 837 C GLU A 59 3.431 11.204 1.927 1.00 0.00 C ATOM 838 O GLU A 59 3.745 11.457 3.089 1.00 0.00 O ATOM 839 CB GLU A 59 5.461 11.235 0.432 1.00 0.00 C ATOM 840 CG GLU A 59 6.030 11.761 -0.887 1.00 0.00 C ATOM 841 CD GLU A 59 7.238 12.667 -0.642 1.00 0.00 C ATOM 842 OE1 GLU A 59 8.240 12.144 -0.107 1.00 0.00 O ATOM 843 OE2 GLU A 59 7.133 13.861 -0.995 1.00 0.00 O ATOM 0 H GLU A 59 4.819 13.502 1.938 1.00 0.00 H new ATOM 0 HA GLU A 59 3.492 11.833 -0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.174 11.415 1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.320 10.156 0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.322 10.924 -1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.260 12.314 -1.424 1.00 0.00 H new ATOM 850 N ARG A 60 2.496 10.334 1.575 1.00 0.00 N ATOM 851 CA ARG A 60 1.751 9.590 2.576 1.00 0.00 C ATOM 852 C ARG A 60 2.438 8.254 2.866 1.00 0.00 C ATOM 853 O ARG A 60 2.738 7.494 1.947 1.00 0.00 O ATOM 854 CB ARG A 60 0.316 9.327 2.113 1.00 0.00 C ATOM 855 CG ARG A 60 -0.397 8.360 3.060 1.00 0.00 C ATOM 856 CD ARG A 60 -1.200 9.121 4.117 1.00 0.00 C ATOM 857 NE ARG A 60 -0.282 9.790 5.066 1.00 0.00 N ATOM 858 CZ ARG A 60 0.402 9.152 6.026 1.00 0.00 C ATOM 859 NH1 ARG A 60 0.275 7.826 6.171 1.00 0.00 N ATOM 860 NH2 ARG A 60 1.213 9.841 6.841 1.00 0.00 N ATOM 0 H ARG A 60 2.237 10.128 0.610 1.00 0.00 H new ATOM 0 HA ARG A 60 1.724 10.193 3.484 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.233 10.267 2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.325 8.913 1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.062 7.711 2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.335 7.717 3.548 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.841 9.860 3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.853 8.433 4.654 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.162 10.800 4.984 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.342 7.302 5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.796 7.341 6.902 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.309 10.850 6.730 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.734 9.356 7.572 1.00 0.00 H new ATOM 874 N SER A 61 2.669 8.009 4.148 1.00 0.00 N ATOM 875 CA SER A 61 3.315 6.779 4.570 1.00 0.00 C ATOM 876 C SER A 61 2.309 5.627 4.555 1.00 0.00 C ATOM 877 O SER A 61 1.149 5.806 4.925 1.00 0.00 O ATOM 878 CB SER A 61 3.929 6.929 5.964 1.00 0.00 C ATOM 879 OG SER A 61 4.775 5.832 6.296 1.00 0.00 O ATOM 0 H SER A 61 2.420 8.642 4.908 1.00 0.00 H new ATOM 0 HA SER A 61 4.120 6.559 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.502 7.855 6.010 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.133 7.010 6.704 1.00 0.00 H new ATOM 0 HG SER A 61 5.148 5.966 7.192 1.00 0.00 H new ATOM 885 N CYS A 62 2.789 4.469 4.124 1.00 0.00 N ATOM 886 CA CYS A 62 1.945 3.288 4.056 1.00 0.00 C ATOM 887 C CYS A 62 2.701 2.121 4.695 1.00 0.00 C ATOM 888 O CYS A 62 3.669 1.618 4.126 1.00 0.00 O ATOM 889 CB CYS A 62 1.523 2.976 2.619 1.00 0.00 C ATOM 890 SG CYS A 62 0.739 4.447 1.864 1.00 0.00 S ATOM 0 H CYS A 62 3.751 4.324 3.819 1.00 0.00 H new ATOM 0 HA CYS A 62 1.021 3.466 4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.392 2.676 2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.827 2.137 2.610 1.00 0.00 H new ATOM 0 HG CYS A 62 0.199 4.116 0.729 1.00 0.00 H new ATOM 896 N MET A 63 2.230 1.724 5.868 1.00 0.00 N ATOM 897 CA MET A 63 2.849 0.626 6.590 1.00 0.00 C ATOM 898 C MET A 63 2.440 -0.722 5.993 1.00 0.00 C ATOM 899 O MET A 63 1.270 -1.099 6.046 1.00 0.00 O ATOM 900 CB MET A 63 2.430 0.681 8.061 1.00 0.00 C ATOM 901 CG MET A 63 3.013 1.916 8.750 1.00 0.00 C ATOM 902 SD MET A 63 4.019 1.422 10.139 1.00 0.00 S ATOM 903 CE MET A 63 5.570 1.122 9.308 1.00 0.00 C ATOM 0 H MET A 63 1.427 2.143 6.336 1.00 0.00 H new ATOM 0 HA MET A 63 3.931 0.726 6.507 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.343 0.699 8.133 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.768 -0.220 8.573 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.612 2.489 8.042 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.208 2.569 9.087 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.317 0.803 10.035 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.436 0.342 8.559 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.906 2.038 8.822 1.00 0.00 H new ATOM 913 N LEU A 64 3.426 -1.412 5.439 1.00 0.00 N ATOM 914 CA LEU A 64 3.183 -2.710 4.833 1.00 0.00 C ATOM 915 C LEU A 64 3.562 -3.810 5.826 1.00 0.00 C ATOM 916 O LEU A 64 4.480 -3.639 6.627 1.00 0.00 O ATOM 917 CB LEU A 64 3.908 -2.818 3.490 1.00 0.00 C ATOM 918 CG LEU A 64 3.666 -1.673 2.503 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.906 -0.786 2.378 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.204 -2.207 1.146 1.00 0.00 C ATOM 0 H LEU A 64 4.395 -1.097 5.397 1.00 0.00 H new ATOM 0 HA LEU A 64 2.124 -2.834 4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.979 -2.886 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.610 -3.752 3.013 1.00 0.00 H new ATOM 0 HG LEU A 64 2.862 -1.049 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.707 0.019 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.150 -0.362 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.746 -1.383 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.039 -1.373 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.968 -2.866 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.275 -2.763 1.271 1.00 0.00 H new ATOM 932 N THR A 65 2.837 -4.916 5.740 1.00 0.00 N ATOM 933 CA THR A 65 3.085 -6.044 6.622 1.00 0.00 C ATOM 934 C THR A 65 2.860 -7.361 5.877 1.00 0.00 C ATOM 935 O THR A 65 1.868 -7.516 5.168 1.00 0.00 O ATOM 936 CB THR A 65 2.196 -5.884 7.856 1.00 0.00 C ATOM 937 OG1 THR A 65 2.598 -4.637 8.415 1.00 0.00 O ATOM 938 CG2 THR A 65 2.523 -6.904 8.949 1.00 0.00 C ATOM 0 H THR A 65 2.078 -5.055 5.073 1.00 0.00 H new ATOM 0 HA THR A 65 4.123 -6.067 6.953 1.00 0.00 H new ATOM 0 HB THR A 65 1.150 -5.985 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.447 -4.750 8.891 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.863 -6.747 9.802 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.380 -7.912 8.560 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.559 -6.780 9.264 1.00 0.00 H new ATOM 946 N GLY A 66 3.799 -8.278 6.064 1.00 0.00 N ATOM 947 CA GLY A 66 3.716 -9.577 5.419 1.00 0.00 C ATOM 948 C GLY A 66 5.084 -10.016 4.894 1.00 0.00 C ATOM 949 O GLY A 66 6.111 -9.467 5.289 1.00 0.00 O ATOM 0 H GLY A 66 4.621 -8.146 6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.340 -10.315 6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.003 -9.533 4.596 1.00 0.00 H new ATOM 953 N THR A 67 5.054 -11.003 4.010 1.00 0.00 N ATOM 954 CA THR A 67 6.279 -11.523 3.426 1.00 0.00 C ATOM 955 C THR A 67 7.055 -10.403 2.730 1.00 0.00 C ATOM 956 O THR A 67 6.493 -9.354 2.419 1.00 0.00 O ATOM 957 CB THR A 67 5.905 -12.675 2.491 1.00 0.00 C ATOM 958 OG1 THR A 67 5.146 -12.052 1.459 1.00 0.00 O ATOM 959 CG2 THR A 67 4.924 -13.657 3.135 1.00 0.00 C ATOM 0 H THR A 67 4.200 -11.456 3.684 1.00 0.00 H new ATOM 0 HA THR A 67 6.949 -11.912 4.193 1.00 0.00 H new ATOM 0 HB THR A 67 6.808 -13.208 2.192 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.686 -11.998 0.643 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.692 -14.455 2.429 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.373 -14.085 4.031 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.007 -13.132 3.404 1.00 0.00 H new ATOM 967 N PRO A 68 8.368 -10.671 2.501 1.00 0.00 N ATOM 968 CA PRO A 68 9.227 -9.698 1.847 1.00 0.00 C ATOM 969 C PRO A 68 8.941 -9.635 0.346 1.00 0.00 C ATOM 970 O PRO A 68 8.957 -8.558 -0.249 1.00 0.00 O ATOM 971 CB PRO A 68 10.644 -10.148 2.164 1.00 0.00 C ATOM 972 CG PRO A 68 10.534 -11.604 2.586 1.00 0.00 C ATOM 973 CD PRO A 68 9.068 -11.902 2.855 1.00 0.00 C ATOM 0 HA PRO A 68 9.058 -8.682 2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.292 -10.041 1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.077 -9.542 2.960 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.919 -12.258 1.804 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.131 -11.789 3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.718 -12.743 2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.903 -12.165 3.900 1.00 0.00 H new ATOM 981 N GLU A 69 8.687 -10.804 -0.225 1.00 0.00 N ATOM 982 CA GLU A 69 8.399 -10.895 -1.646 1.00 0.00 C ATOM 983 C GLU A 69 7.035 -10.272 -1.952 1.00 0.00 C ATOM 984 O GLU A 69 6.727 -9.981 -3.107 1.00 0.00 O ATOM 985 CB GLU A 69 8.458 -12.347 -2.126 1.00 0.00 C ATOM 986 CG GLU A 69 9.835 -12.677 -2.705 1.00 0.00 C ATOM 987 CD GLU A 69 9.881 -12.389 -4.207 1.00 0.00 C ATOM 988 OE1 GLU A 69 9.008 -12.934 -4.917 1.00 0.00 O ATOM 989 OE2 GLU A 69 10.787 -11.629 -4.612 1.00 0.00 O ATOM 0 H GLU A 69 8.675 -11.695 0.271 1.00 0.00 H new ATOM 0 HA GLU A 69 9.162 -10.336 -2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.239 -13.018 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.692 -12.515 -2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.598 -12.090 -2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.067 -13.727 -2.525 1.00 0.00 H new ATOM 996 N SER A 70 6.255 -10.087 -0.898 1.00 0.00 N ATOM 997 CA SER A 70 4.932 -9.504 -1.039 1.00 0.00 C ATOM 998 C SER A 70 5.010 -7.984 -0.886 1.00 0.00 C ATOM 999 O SER A 70 4.331 -7.248 -1.600 1.00 0.00 O ATOM 1000 CB SER A 70 3.959 -10.091 -0.014 1.00 0.00 C ATOM 1001 OG SER A 70 3.636 -11.449 -0.302 1.00 0.00 O ATOM 0 H SER A 70 6.514 -10.331 0.058 1.00 0.00 H new ATOM 0 HA SER A 70 4.558 -9.744 -2.034 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.398 -10.026 0.982 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.046 -9.496 0.001 1.00 0.00 H new ATOM 0 HG SER A 70 3.936 -12.020 0.436 1.00 0.00 H new ATOM 1007 N VAL A 71 5.844 -7.558 0.051 1.00 0.00 N ATOM 1008 CA VAL A 71 6.021 -6.139 0.308 1.00 0.00 C ATOM 1009 C VAL A 71 6.475 -5.445 -0.978 1.00 0.00 C ATOM 1010 O VAL A 71 6.002 -4.356 -1.301 1.00 0.00 O ATOM 1011 CB VAL A 71 6.992 -5.934 1.472 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.291 -4.448 1.681 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.452 -6.570 2.755 1.00 0.00 C ATOM 0 H VAL A 71 6.405 -8.171 0.642 1.00 0.00 H new ATOM 0 HA VAL A 71 5.076 -5.685 0.607 1.00 0.00 H new ATOM 0 HB VAL A 71 7.928 -6.432 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.984 -4.330 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.738 -4.036 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.364 -3.918 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.161 -6.410 3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.496 -6.114 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.313 -7.640 2.600 1.00 0.00 H new ATOM 1023 N GLN A 72 7.387 -6.104 -1.678 1.00 0.00 N ATOM 1024 CA GLN A 72 7.910 -5.564 -2.922 1.00 0.00 C ATOM 1025 C GLN A 72 6.841 -5.619 -4.015 1.00 0.00 C ATOM 1026 O GLN A 72 6.526 -4.602 -4.632 1.00 0.00 O ATOM 1027 CB GLN A 72 9.174 -6.309 -3.354 1.00 0.00 C ATOM 1028 CG GLN A 72 10.430 -5.521 -2.978 1.00 0.00 C ATOM 1029 CD GLN A 72 11.187 -6.205 -1.838 1.00 0.00 C ATOM 1030 OE1 GLN A 72 10.853 -7.294 -1.402 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.223 -5.507 -1.381 1.00 0.00 N ATOM 0 H GLN A 72 7.777 -7.007 -1.407 1.00 0.00 H new ATOM 0 HA GLN A 72 8.181 -4.521 -2.758 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.201 -7.291 -2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.153 -6.474 -4.431 1.00 0.00 H new ATOM 0 HG2 GLN A 72 11.080 -5.430 -3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.153 -4.510 -2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.448 -4.601 -1.791 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.792 -5.878 -0.620 1.00 0.00 H new ATOM 1040 N SER A 73 6.312 -6.816 -4.222 1.00 0.00 N ATOM 1041 CA SER A 73 5.285 -7.016 -5.230 1.00 0.00 C ATOM 1042 C SER A 73 4.215 -5.929 -5.110 1.00 0.00 C ATOM 1043 O SER A 73 3.867 -5.284 -6.097 1.00 0.00 O ATOM 1044 CB SER A 73 4.650 -8.402 -5.102 1.00 0.00 C ATOM 1045 OG SER A 73 5.524 -9.433 -5.554 1.00 0.00 O ATOM 0 H SER A 73 6.575 -7.657 -3.709 1.00 0.00 H new ATOM 0 HA SER A 73 5.753 -6.950 -6.212 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.383 -8.584 -4.061 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.725 -8.432 -5.678 1.00 0.00 H new ATOM 0 HG SER A 73 6.055 -9.765 -4.800 1.00 0.00 H new ATOM 1051 N ALA A 74 3.722 -5.761 -3.892 1.00 0.00 N ATOM 1052 CA ALA A 74 2.698 -4.763 -3.630 1.00 0.00 C ATOM 1053 C ALA A 74 3.232 -3.380 -4.006 1.00 0.00 C ATOM 1054 O ALA A 74 2.568 -2.626 -4.715 1.00 0.00 O ATOM 1055 CB ALA A 74 2.270 -4.844 -2.163 1.00 0.00 C ATOM 0 H ALA A 74 4.012 -6.299 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 74 1.814 -4.951 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.502 -4.096 -1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.871 -5.837 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.131 -4.657 -1.522 1.00 0.00 H new ATOM 1061 N LYS A 75 4.427 -3.088 -3.513 1.00 0.00 N ATOM 1062 CA LYS A 75 5.058 -1.808 -3.789 1.00 0.00 C ATOM 1063 C LYS A 75 4.984 -1.521 -5.289 1.00 0.00 C ATOM 1064 O LYS A 75 4.531 -0.453 -5.699 1.00 0.00 O ATOM 1065 CB LYS A 75 6.481 -1.780 -3.226 1.00 0.00 C ATOM 1066 CG LYS A 75 6.479 -1.381 -1.749 1.00 0.00 C ATOM 1067 CD LYS A 75 7.699 -1.954 -1.025 1.00 0.00 C ATOM 1068 CE LYS A 75 8.965 -1.174 -1.383 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.328 -1.396 -2.800 1.00 0.00 N ATOM 0 H LYS A 75 4.975 -3.716 -2.924 1.00 0.00 H new ATOM 0 HA LYS A 75 4.524 -1.003 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.940 -2.762 -3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.087 -1.076 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.477 -0.294 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.567 -1.740 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.537 -1.917 0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.826 -3.003 -1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.806 -0.110 -1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.786 -1.486 -0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.364 -1.407 -2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.941 -2.307 -3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.935 -0.630 -3.383 1.00 0.00 H new ATOM 1083 N ARG A 76 5.437 -2.492 -6.069 1.00 0.00 N ATOM 1084 CA ARG A 76 5.428 -2.357 -7.515 1.00 0.00 C ATOM 1085 C ARG A 76 4.053 -1.885 -7.996 1.00 0.00 C ATOM 1086 O ARG A 76 3.958 -0.991 -8.834 1.00 0.00 O ATOM 1087 CB ARG A 76 5.770 -3.684 -8.195 1.00 0.00 C ATOM 1088 CG ARG A 76 7.245 -3.727 -8.601 1.00 0.00 C ATOM 1089 CD ARG A 76 7.402 -3.547 -10.113 1.00 0.00 C ATOM 1090 NE ARG A 76 8.815 -3.754 -10.503 1.00 0.00 N ATOM 1091 CZ ARG A 76 9.351 -3.309 -11.647 1.00 0.00 C ATOM 1092 NH1 ARG A 76 8.596 -2.630 -12.521 1.00 0.00 N ATOM 1093 NH2 ARG A 76 10.642 -3.544 -11.918 1.00 0.00 N ATOM 0 H ARG A 76 5.813 -3.376 -5.726 1.00 0.00 H new ATOM 0 HA ARG A 76 6.184 -1.619 -7.783 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.551 -4.510 -7.519 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.142 -3.818 -9.076 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.793 -2.943 -8.079 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.682 -4.678 -8.297 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.763 -4.255 -10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.078 -2.548 -10.404 1.00 0.00 H new ATOM 0 HE ARG A 76 9.418 -4.268 -9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.613 -2.452 -12.315 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.004 -2.291 -13.392 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.217 -4.062 -11.253 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.050 -3.205 -12.789 1.00 0.00 H new ATOM 1107 N LEU A 77 3.023 -2.509 -7.443 1.00 0.00 N ATOM 1108 CA LEU A 77 1.659 -2.164 -7.805 1.00 0.00 C ATOM 1109 C LEU A 77 1.384 -0.710 -7.417 1.00 0.00 C ATOM 1110 O LEU A 77 0.811 0.047 -8.198 1.00 0.00 O ATOM 1111 CB LEU A 77 0.674 -3.161 -7.190 1.00 0.00 C ATOM 1112 CG LEU A 77 0.454 -4.457 -7.973 1.00 0.00 C ATOM 1113 CD1 LEU A 77 -0.141 -5.545 -7.077 1.00 0.00 C ATOM 1114 CD2 LEU A 77 -0.402 -4.207 -9.216 1.00 0.00 C ATOM 0 H LEU A 77 3.106 -3.251 -6.748 1.00 0.00 H new ATOM 0 HA LEU A 77 1.521 -2.237 -8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.025 -3.419 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.289 -2.664 -7.071 1.00 0.00 H new ATOM 0 HG LEU A 77 1.424 -4.818 -8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.287 -6.455 -7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.540 -5.748 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.100 -5.208 -6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.543 -5.144 -9.755 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.372 -3.811 -8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.099 -3.488 -9.864 1.00 0.00 H new ATOM 1126 N LEU A 78 1.807 -0.363 -6.210 1.00 0.00 N ATOM 1127 CA LEU A 78 1.615 0.987 -5.709 1.00 0.00 C ATOM 1128 C LEU A 78 2.353 1.973 -6.616 1.00 0.00 C ATOM 1129 O LEU A 78 1.728 2.786 -7.295 1.00 0.00 O ATOM 1130 CB LEU A 78 2.027 1.077 -4.239 1.00 0.00 C ATOM 1131 CG LEU A 78 1.203 0.240 -3.259 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.704 0.422 -1.825 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.289 0.554 -3.389 1.00 0.00 C ATOM 0 H LEU A 78 2.282 -0.994 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 78 0.559 1.257 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.071 0.775 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.972 2.121 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 78 1.334 -0.811 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.101 -0.184 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.746 0.109 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.623 1.471 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.852 -0.055 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.459 1.609 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.621 0.331 -4.403 1.00 0.00 H new ATOM 1145 N ASP A 79 3.674 1.869 -6.598 1.00 0.00 N ATOM 1146 CA ASP A 79 4.505 2.742 -7.410 1.00 0.00 C ATOM 1147 C ASP A 79 3.911 2.840 -8.817 1.00 0.00 C ATOM 1148 O ASP A 79 3.825 3.928 -9.384 1.00 0.00 O ATOM 1149 CB ASP A 79 5.927 2.190 -7.534 1.00 0.00 C ATOM 1150 CG ASP A 79 7.039 3.226 -7.362 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.690 4.396 -7.096 1.00 0.00 O ATOM 1152 OD2 ASP A 79 8.215 2.824 -7.500 1.00 0.00 O ATOM 0 H ASP A 79 4.189 1.193 -6.034 1.00 0.00 H new ATOM 0 HA ASP A 79 4.539 3.720 -6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.063 1.406 -6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.035 1.722 -8.512 1.00 0.00 H new ATOM 1157 N GLN A 80 3.518 1.688 -9.340 1.00 0.00 N ATOM 1158 CA GLN A 80 2.935 1.630 -10.670 1.00 0.00 C ATOM 1159 C GLN A 80 1.891 2.736 -10.840 1.00 0.00 C ATOM 1160 O GLN A 80 2.074 3.647 -11.646 1.00 0.00 O ATOM 1161 CB GLN A 80 2.324 0.253 -10.941 1.00 0.00 C ATOM 1162 CG GLN A 80 3.235 -0.583 -11.842 1.00 0.00 C ATOM 1163 CD GLN A 80 2.424 -1.322 -12.908 1.00 0.00 C ATOM 1164 OE1 GLN A 80 2.238 -0.854 -14.019 1.00 0.00 O ATOM 1165 NE2 GLN A 80 1.953 -2.500 -12.508 1.00 0.00 N ATOM 0 H GLN A 80 3.592 0.787 -8.867 1.00 0.00 H new ATOM 0 HA GLN A 80 3.728 1.790 -11.401 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.161 -0.269 -9.998 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.348 0.370 -11.413 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.970 0.063 -12.322 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.789 -1.302 -11.238 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.146 -2.832 -11.563 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.399 -3.071 -13.146 1.00 0.00 H new ATOM 1174 N ILE A 81 0.820 2.619 -10.069 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.252 3.597 -10.125 1.00 0.00 C ATOM 1176 C ILE A 81 0.348 5.002 -10.209 1.00 0.00 C ATOM 1177 O ILE A 81 -0.033 5.793 -11.070 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.212 3.408 -8.948 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -2.098 2.178 -9.155 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -2.036 4.674 -8.704 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.722 1.723 -7.834 1.00 0.00 C ATOM 0 H ILE A 81 0.672 1.862 -9.402 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.852 3.452 -11.023 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.621 3.231 -8.050 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.885 2.409 -9.873 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.507 1.367 -9.580 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.710 4.513 -7.863 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.368 5.505 -8.480 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.618 4.907 -9.596 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.347 0.847 -8.009 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.932 1.470 -7.127 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.332 2.528 -7.424 1.00 0.00 H new ATOM 1193 N VAL A 82 1.278 5.269 -9.303 1.00 0.00 N ATOM 1194 CA VAL A 82 1.935 6.564 -9.264 1.00 0.00 C ATOM 1195 C VAL A 82 2.634 6.817 -10.601 1.00 0.00 C ATOM 1196 O VAL A 82 2.335 7.793 -11.288 1.00 0.00 O ATOM 1197 CB VAL A 82 2.888 6.631 -8.069 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.605 7.982 -8.016 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.147 6.352 -6.760 1.00 0.00 C ATOM 0 H VAL A 82 1.592 4.610 -8.590 1.00 0.00 H new ATOM 0 HA VAL A 82 1.203 7.360 -9.124 1.00 0.00 H new ATOM 0 HB VAL A 82 3.643 5.855 -8.198 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.276 8.004 -7.158 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.180 8.125 -8.931 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.869 8.781 -7.922 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.848 6.406 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.361 7.094 -6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.704 5.357 -6.798 1.00 0.00 H new