USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 610 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 44 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 40 GLN : amide:sc= -0.811 K(o=-0.85,f=-2.3!) USER MOD Set 2.2: A 56 ASN : amide:sc= -0.0395 K(o=-0.85,f=-2.7!) USER MOD Single : A 13 GLN : amide:sc= -0.126 K(o=-0.13,f=-4.7!) USER MOD Single : A 16 THR OG1 : rot 82:sc= 0.142 USER MOD Single : A 19 GLN : amide:sc= -0.0805 X(o=-0.081,f=-0.58) USER MOD Single : A 21 CYS SG : rot 10:sc= -1.35 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.5!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.013 USER MOD Single : A 37 HIS : no HD1:sc= -0.0993 X(o=-0.099,f=0.017) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00528 USER MOD Single : A 47 GLN : amide:sc= -0.517 K(o=-0.52,f=-3.5!) USER MOD Single : A 49 CYS SG : rot 121:sc= -1.34 USER MOD Single : A 62 HIS : no HD1:sc= -0.525 K(o=-0.52,f=0.051) USER MOD Single : A 66 GLN : amide:sc= -0.592 X(o=-0.59,f=-0.15) USER MOD Single : A 67 GLN : amide:sc= -0.887 K(o=-0.89,f=-0.36) USER MOD Single : A 68 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.085) USER MOD Single : A 71 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.1) USER MOD Single : A 78 HIS : no HD1:sc= -0.235 X(o=-0.24,f=0.038) USER MOD Single : A 82 GLN : amide:sc= -4.93! C(o=-4.9!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 191 N GLY A 12 -9.142 0.047 -5.212 1.00 0.00 N ATOM 192 CA GLY A 12 -10.428 -0.113 -4.558 1.00 0.00 C ATOM 193 C GLY A 12 -10.304 -0.677 -3.156 1.00 0.00 C ATOM 194 O GLY A 12 -10.950 -0.194 -2.226 1.00 0.00 O ATOM 0 HA2 GLY A 12 -10.931 0.853 -4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.056 -0.773 -5.157 1.00 0.00 H new ATOM 198 N GLN A 13 -9.474 -1.704 -3.005 1.00 0.00 N ATOM 199 CA GLN A 13 -9.269 -2.337 -1.707 1.00 0.00 C ATOM 200 C GLN A 13 -8.547 -1.398 -0.746 1.00 0.00 C ATOM 201 O GLN A 13 -8.896 -1.310 0.431 1.00 0.00 O ATOM 202 CB GLN A 13 -8.471 -3.632 -1.871 1.00 0.00 C ATOM 203 CG GLN A 13 -8.997 -4.781 -1.027 1.00 0.00 C ATOM 204 CD GLN A 13 -8.003 -5.920 -0.909 1.00 0.00 C ATOM 205 OE1 GLN A 13 -6.791 -5.705 -0.928 1.00 0.00 O ATOM 206 NE2 GLN A 13 -8.512 -7.140 -0.786 1.00 0.00 N ATOM 0 H GLN A 13 -8.933 -2.116 -3.765 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.247 -2.570 -1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.484 -3.927 -2.920 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.431 -3.444 -1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.242 -4.413 -0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.922 -5.155 -1.465 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.523 -7.272 -0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.892 -7.945 -0.702 1.00 0.00 H new ATOM 215 N LEU A 14 -7.535 -0.701 -1.253 1.00 0.00 N ATOM 216 CA LEU A 14 -6.761 0.227 -0.436 1.00 0.00 C ATOM 217 C LEU A 14 -7.642 1.351 0.103 1.00 0.00 C ATOM 218 O LEU A 14 -7.524 1.743 1.264 1.00 0.00 O ATOM 219 CB LEU A 14 -5.607 0.815 -1.250 1.00 0.00 C ATOM 220 CG LEU A 14 -4.765 1.862 -0.520 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.903 1.205 0.547 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.901 2.633 -1.506 1.00 0.00 C ATOM 0 H LEU A 14 -7.232 -0.761 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.356 -0.328 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.954 0.001 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.014 1.266 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.439 2.565 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.311 1.966 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.542 0.699 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.237 0.479 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.309 3.374 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.236 1.942 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.539 3.136 -2.233 1.00 0.00 H new ATOM 234 N ALA A 15 -8.522 1.868 -0.747 1.00 0.00 N ATOM 235 CA ALA A 15 -9.419 2.949 -0.354 1.00 0.00 C ATOM 236 C ALA A 15 -10.370 2.503 0.751 1.00 0.00 C ATOM 237 O ALA A 15 -10.483 3.157 1.788 1.00 0.00 O ATOM 238 CB ALA A 15 -10.204 3.447 -1.559 1.00 0.00 C ATOM 0 H ALA A 15 -8.634 1.557 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.812 3.766 0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.870 4.254 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.513 3.816 -2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.793 2.629 -1.973 1.00 0.00 H new ATOM 244 N THR A 16 -11.054 1.387 0.522 1.00 0.00 N ATOM 245 CA THR A 16 -11.998 0.854 1.498 1.00 0.00 C ATOM 246 C THR A 16 -11.281 0.418 2.772 1.00 0.00 C ATOM 247 O THR A 16 -11.751 0.676 3.880 1.00 0.00 O ATOM 248 CB THR A 16 -12.765 -0.327 0.903 1.00 0.00 C ATOM 249 OG1 THR A 16 -13.419 0.052 -0.295 1.00 0.00 O ATOM 250 CG2 THR A 16 -13.812 -0.893 1.838 1.00 0.00 C ATOM 0 H THR A 16 -10.972 0.834 -0.331 1.00 0.00 H new ATOM 0 HA THR A 16 -12.702 1.646 1.753 1.00 0.00 H new ATOM 0 HB THR A 16 -12.014 -1.095 0.717 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.783 0.019 -1.040 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.319 -1.728 1.354 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.333 -1.241 2.753 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.539 -0.119 2.081 1.00 0.00 H new ATOM 258 N LEU A 17 -10.142 -0.247 2.606 1.00 0.00 N ATOM 259 CA LEU A 17 -9.363 -0.723 3.743 1.00 0.00 C ATOM 260 C LEU A 17 -8.790 0.443 4.543 1.00 0.00 C ATOM 261 O LEU A 17 -8.815 0.436 5.772 1.00 0.00 O ATOM 262 CB LEU A 17 -8.231 -1.634 3.266 1.00 0.00 C ATOM 263 CG LEU A 17 -7.659 -2.570 4.332 1.00 0.00 C ATOM 264 CD1 LEU A 17 -7.194 -3.874 3.703 1.00 0.00 C ATOM 265 CD2 LEU A 17 -6.515 -1.896 5.074 1.00 0.00 C ATOM 0 H LEU A 17 -9.738 -0.468 1.696 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.029 -1.290 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.596 -2.236 2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.424 -1.012 2.879 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.447 -2.798 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.790 -4.527 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.037 -4.365 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.421 -3.666 2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.120 -2.576 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.725 -1.639 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.879 -0.989 5.558 1.00 0.00 H new ATOM 277 N ARG A 18 -8.272 1.443 3.839 1.00 0.00 N ATOM 278 CA ARG A 18 -7.691 2.613 4.489 1.00 0.00 C ATOM 279 C ARG A 18 -8.764 3.445 5.188 1.00 0.00 C ATOM 280 O ARG A 18 -8.479 4.162 6.146 1.00 0.00 O ATOM 281 CB ARG A 18 -6.949 3.475 3.466 1.00 0.00 C ATOM 282 CG ARG A 18 -6.043 4.522 4.094 1.00 0.00 C ATOM 283 CD ARG A 18 -5.442 5.442 3.043 1.00 0.00 C ATOM 284 NE ARG A 18 -5.003 6.713 3.613 1.00 0.00 N ATOM 285 CZ ARG A 18 -4.749 7.802 2.890 1.00 0.00 C ATOM 286 NH1 ARG A 18 -4.891 7.778 1.571 1.00 0.00 N ATOM 287 NH2 ARG A 18 -4.353 8.917 3.488 1.00 0.00 N ATOM 0 H ARG A 18 -8.242 1.468 2.820 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.985 2.262 5.242 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.352 2.828 2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.678 3.974 2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.611 5.112 4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.244 4.028 4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.595 4.946 2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.179 5.630 2.262 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.884 6.770 4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.196 6.923 1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.695 8.615 1.022 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.243 8.941 4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.158 9.751 2.934 1.00 0.00 H new ATOM 301 N GLN A 19 -9.997 3.350 4.699 1.00 0.00 N ATOM 302 CA GLN A 19 -11.108 4.100 5.275 1.00 0.00 C ATOM 303 C GLN A 19 -11.638 3.428 6.540 1.00 0.00 C ATOM 304 O GLN A 19 -11.677 4.039 7.608 1.00 0.00 O ATOM 305 CB GLN A 19 -12.234 4.246 4.248 1.00 0.00 C ATOM 306 CG GLN A 19 -12.423 5.670 3.751 1.00 0.00 C ATOM 307 CD GLN A 19 -11.343 6.093 2.774 1.00 0.00 C ATOM 308 OE1 GLN A 19 -11.367 5.715 1.603 1.00 0.00 O ATOM 309 NE2 GLN A 19 -10.389 6.882 3.253 1.00 0.00 N ATOM 0 H GLN A 19 -10.252 2.761 3.906 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.739 5.088 5.548 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.025 3.598 3.397 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.167 3.898 4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.397 5.757 3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.425 6.351 4.602 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.409 7.171 4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.636 7.200 2.643 1.00 0.00 H new ATOM 318 N ARG A 20 -12.058 2.174 6.410 1.00 0.00 N ATOM 319 CA ARG A 20 -12.600 1.425 7.540 1.00 0.00 C ATOM 320 C ARG A 20 -11.500 1.005 8.511 1.00 0.00 C ATOM 321 O ARG A 20 -11.677 1.067 9.728 1.00 0.00 O ATOM 322 CB ARG A 20 -13.352 0.189 7.042 1.00 0.00 C ATOM 323 CG ARG A 20 -14.411 -0.312 8.011 1.00 0.00 C ATOM 324 CD ARG A 20 -14.342 -1.822 8.181 1.00 0.00 C ATOM 325 NE ARG A 20 -15.658 -2.408 8.424 1.00 0.00 N ATOM 326 CZ ARG A 20 -15.927 -3.705 8.296 1.00 0.00 C ATOM 327 NH1 ARG A 20 -14.975 -4.553 7.924 1.00 0.00 N ATOM 328 NH2 ARG A 20 -17.149 -4.157 8.540 1.00 0.00 N ATOM 0 H ARG A 20 -12.034 1.654 5.533 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.290 2.080 8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.826 0.422 6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.635 -0.611 6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.277 0.171 8.979 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.400 -0.030 7.648 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.907 -2.268 7.287 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.679 -2.063 9.012 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.415 -1.787 8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.033 -4.211 7.735 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.186 -5.546 7.827 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.884 -3.510 8.826 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.354 -5.151 8.442 1.00 0.00 H new ATOM 342 N CYS A 21 -10.368 0.570 7.968 1.00 0.00 N ATOM 343 CA CYS A 21 -9.244 0.132 8.790 1.00 0.00 C ATOM 344 C CYS A 21 -8.310 1.294 9.133 1.00 0.00 C ATOM 345 O CYS A 21 -7.189 1.080 9.594 1.00 0.00 O ATOM 346 CB CYS A 21 -8.463 -0.971 8.072 1.00 0.00 C ATOM 347 SG CYS A 21 -8.167 -2.443 9.079 1.00 0.00 S ATOM 0 H CYS A 21 -10.204 0.511 6.963 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.649 -0.259 9.723 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.009 -1.262 7.174 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.504 -0.569 7.746 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.863 -2.367 10.174 1.00 0.00 H new ATOM 353 N ALA A 22 -8.772 2.522 8.907 1.00 0.00 N ATOM 354 CA ALA A 22 -7.969 3.704 9.196 1.00 0.00 C ATOM 355 C ALA A 22 -7.628 3.792 10.683 1.00 0.00 C ATOM 356 O ALA A 22 -6.457 3.778 11.061 1.00 0.00 O ATOM 357 CB ALA A 22 -8.699 4.961 8.744 1.00 0.00 C ATOM 0 H ALA A 22 -9.696 2.722 8.525 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.034 3.620 8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.088 5.836 8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.883 4.909 7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.650 5.039 9.271 1.00 0.00 H new ATOM 363 N PRO A 23 -8.653 3.887 11.548 1.00 0.00 N ATOM 364 CA PRO A 23 -8.457 3.981 12.998 1.00 0.00 C ATOM 365 C PRO A 23 -8.035 2.652 13.617 1.00 0.00 C ATOM 366 O PRO A 23 -8.750 2.086 14.445 1.00 0.00 O ATOM 367 CB PRO A 23 -9.836 4.398 13.510 1.00 0.00 C ATOM 368 CG PRO A 23 -10.790 3.849 12.507 1.00 0.00 C ATOM 369 CD PRO A 23 -10.083 3.913 11.180 1.00 0.00 C ATOM 0 HA PRO A 23 -7.660 4.677 13.259 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.029 3.994 14.504 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.920 5.482 13.585 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.066 2.824 12.752 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.711 4.431 12.486 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.349 3.069 10.543 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.340 4.820 10.632 1.00 0.00 H new ATOM 377 N VAL A 24 -6.870 2.157 13.211 1.00 0.00 N ATOM 378 CA VAL A 24 -6.356 0.894 13.729 1.00 0.00 C ATOM 379 C VAL A 24 -4.987 1.068 14.383 1.00 0.00 C ATOM 380 O VAL A 24 -4.278 0.091 14.621 1.00 0.00 O ATOM 381 CB VAL A 24 -6.245 -0.163 12.615 1.00 0.00 C ATOM 382 CG1 VAL A 24 -7.623 -0.532 12.090 1.00 0.00 C ATOM 383 CG2 VAL A 24 -5.353 0.340 11.490 1.00 0.00 C ATOM 0 H VAL A 24 -6.265 2.610 12.526 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.068 0.555 14.481 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.790 -1.061 13.034 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.524 -1.280 11.303 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.226 -0.937 12.903 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.109 0.357 11.687 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.286 -0.420 10.711 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.776 1.253 11.071 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.357 0.548 11.881 1.00 0.00 H new ATOM 393 N SER A 25 -4.618 2.313 14.672 1.00 0.00 N ATOM 394 CA SER A 25 -3.333 2.602 15.298 1.00 0.00 C ATOM 395 C SER A 25 -3.238 1.956 16.677 1.00 0.00 C ATOM 396 O SER A 25 -2.200 1.408 17.046 1.00 0.00 O ATOM 397 CB SER A 25 -3.130 4.114 15.416 1.00 0.00 C ATOM 398 OG SER A 25 -4.240 4.731 16.044 1.00 0.00 O ATOM 0 H SER A 25 -5.190 3.136 14.483 1.00 0.00 H new ATOM 0 HA SER A 25 -2.549 2.183 14.668 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.225 4.319 15.988 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.985 4.543 14.425 1.00 0.00 H new ATOM 0 HG SER A 25 -4.084 5.696 16.109 1.00 0.00 H new ATOM 404 N GLN A 26 -4.328 2.027 17.436 1.00 0.00 N ATOM 405 CA GLN A 26 -4.365 1.450 18.776 1.00 0.00 C ATOM 406 C GLN A 26 -4.090 -0.051 18.735 1.00 0.00 C ATOM 407 O GLN A 26 -3.501 -0.609 19.661 1.00 0.00 O ATOM 408 CB GLN A 26 -5.723 1.713 19.431 1.00 0.00 C ATOM 409 CG GLN A 26 -6.905 1.292 18.572 1.00 0.00 C ATOM 410 CD GLN A 26 -7.871 0.385 19.312 1.00 0.00 C ATOM 411 OE1 GLN A 26 -7.678 -0.829 19.372 1.00 0.00 O ATOM 412 NE2 GLN A 26 -8.917 0.973 19.880 1.00 0.00 N ATOM 0 H GLN A 26 -5.196 2.478 17.146 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.584 1.927 19.368 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.768 1.181 20.381 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.809 2.776 19.656 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.436 2.181 18.231 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.539 0.778 17.683 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.037 1.983 19.805 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.600 0.415 20.392 1.00 0.00 H new ATOM 421 N PHE A 27 -4.519 -0.698 17.657 1.00 0.00 N ATOM 422 CA PHE A 27 -4.319 -2.134 17.495 1.00 0.00 C ATOM 423 C PHE A 27 -3.470 -2.431 16.262 1.00 0.00 C ATOM 424 O PHE A 27 -3.572 -3.506 15.671 1.00 0.00 O ATOM 425 CB PHE A 27 -5.669 -2.848 17.385 1.00 0.00 C ATOM 426 CG PHE A 27 -5.742 -4.120 18.182 1.00 0.00 C ATOM 427 CD1 PHE A 27 -4.968 -5.216 17.837 1.00 0.00 C ATOM 428 CD2 PHE A 27 -6.587 -4.219 19.276 1.00 0.00 C ATOM 429 CE1 PHE A 27 -5.034 -6.387 18.568 1.00 0.00 C ATOM 430 CE2 PHE A 27 -6.658 -5.387 20.011 1.00 0.00 C ATOM 431 CZ PHE A 27 -5.880 -6.472 19.656 1.00 0.00 C ATOM 0 H PHE A 27 -5.008 -0.251 16.882 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.790 -2.504 18.374 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.456 -2.173 17.720 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.867 -3.073 16.337 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.305 -5.155 16.987 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.197 -3.373 19.557 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.425 -7.234 18.289 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.321 -5.452 20.861 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.933 -7.386 20.229 1.00 0.00 H new ATOM 441 N ALA A 28 -2.636 -1.471 15.877 1.00 0.00 N ATOM 442 CA ALA A 28 -1.773 -1.629 14.714 1.00 0.00 C ATOM 443 C ALA A 28 -0.579 -2.524 15.028 1.00 0.00 C ATOM 444 O ALA A 28 0.170 -2.270 15.972 1.00 0.00 O ATOM 445 CB ALA A 28 -1.300 -0.271 14.222 1.00 0.00 C ATOM 0 H ALA A 28 -2.540 -0.575 16.354 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.354 -2.109 13.926 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.656 -0.403 13.353 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.162 0.336 13.946 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.742 0.229 15.014 1.00 0.00 H new ATOM 451 N THR A 29 -0.407 -3.571 14.229 1.00 0.00 N ATOM 452 CA THR A 29 0.697 -4.505 14.416 1.00 0.00 C ATOM 453 C THR A 29 1.138 -5.101 13.082 1.00 0.00 C ATOM 454 O THR A 29 0.309 -5.534 12.282 1.00 0.00 O ATOM 455 CB THR A 29 0.289 -5.623 15.377 1.00 0.00 C ATOM 456 OG1 THR A 29 1.318 -6.591 15.486 1.00 0.00 O ATOM 457 CG2 THR A 29 -0.975 -6.341 14.956 1.00 0.00 C ATOM 0 H THR A 29 -1.019 -3.795 13.444 1.00 0.00 H new ATOM 0 HA THR A 29 1.536 -3.956 14.843 1.00 0.00 H new ATOM 0 HB THR A 29 0.107 -5.131 16.333 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.039 -7.297 16.106 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.208 -7.122 15.680 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.800 -5.630 14.911 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.829 -6.790 13.973 1.00 0.00 H new ATOM 465 N LEU A 30 2.447 -5.120 12.850 1.00 0.00 N ATOM 466 CA LEU A 30 2.995 -5.665 11.613 1.00 0.00 C ATOM 467 C LEU A 30 3.694 -6.997 11.868 1.00 0.00 C ATOM 468 O LEU A 30 4.243 -7.225 12.947 1.00 0.00 O ATOM 469 CB LEU A 30 3.974 -4.671 10.982 1.00 0.00 C ATOM 470 CG LEU A 30 3.368 -3.752 9.921 1.00 0.00 C ATOM 471 CD1 LEU A 30 4.397 -2.741 9.438 1.00 0.00 C ATOM 472 CD2 LEU A 30 2.830 -4.567 8.755 1.00 0.00 C ATOM 0 H LEU A 30 3.147 -4.765 13.501 1.00 0.00 H new ATOM 0 HA LEU A 30 2.169 -5.836 10.923 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.403 -4.055 11.772 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.795 -5.229 10.532 1.00 0.00 H new ATOM 0 HG LEU A 30 2.538 -3.207 10.371 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.947 -2.096 8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.734 -2.135 10.279 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.248 -3.267 9.005 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.402 -3.897 8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.642 -5.139 8.306 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.060 -5.250 9.113 1.00 0.00 H new ATOM 484 N SER A 31 3.669 -7.873 10.869 1.00 0.00 N ATOM 485 CA SER A 31 4.299 -9.184 10.985 1.00 0.00 C ATOM 486 C SER A 31 5.817 -9.056 11.066 1.00 0.00 C ATOM 487 O SER A 31 6.373 -7.980 10.847 1.00 0.00 O ATOM 488 CB SER A 31 3.913 -10.066 9.796 1.00 0.00 C ATOM 489 OG SER A 31 2.577 -9.821 9.391 1.00 0.00 O ATOM 0 H SER A 31 3.219 -7.699 9.970 1.00 0.00 H new ATOM 0 HA SER A 31 3.943 -9.648 11.905 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.590 -9.875 8.963 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.028 -11.116 10.066 1.00 0.00 H new ATOM 0 HG SER A 31 2.356 -10.396 8.629 1.00 0.00 H new ATOM 495 N ALA A 32 6.481 -10.163 11.383 1.00 0.00 N ATOM 496 CA ALA A 32 7.935 -10.178 11.495 1.00 0.00 C ATOM 497 C ALA A 32 8.600 -10.504 10.158 1.00 0.00 C ATOM 498 O ALA A 32 9.824 -10.450 10.037 1.00 0.00 O ATOM 499 CB ALA A 32 8.369 -11.177 12.557 1.00 0.00 C ATOM 0 H ALA A 32 6.035 -11.062 11.567 1.00 0.00 H new ATOM 0 HA ALA A 32 8.256 -9.179 11.790 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.456 -11.179 12.632 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.940 -10.895 13.519 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.022 -12.173 12.283 1.00 0.00 H new ATOM 505 N ARG A 33 7.792 -10.844 9.156 1.00 0.00 N ATOM 506 CA ARG A 33 8.315 -11.178 7.835 1.00 0.00 C ATOM 507 C ARG A 33 8.293 -9.964 6.909 1.00 0.00 C ATOM 508 O ARG A 33 8.312 -10.106 5.686 1.00 0.00 O ATOM 509 CB ARG A 33 7.504 -12.319 7.217 1.00 0.00 C ATOM 510 CG ARG A 33 7.823 -13.682 7.808 1.00 0.00 C ATOM 511 CD ARG A 33 6.664 -14.650 7.632 1.00 0.00 C ATOM 512 NE ARG A 33 6.599 -15.629 8.715 1.00 0.00 N ATOM 513 CZ ARG A 33 5.908 -16.764 8.648 1.00 0.00 C ATOM 514 NH1 ARG A 33 5.221 -17.067 7.553 1.00 0.00 N ATOM 515 NH2 ARG A 33 5.902 -17.599 9.678 1.00 0.00 N ATOM 0 H ARG A 33 6.776 -10.895 9.234 1.00 0.00 H new ATOM 0 HA ARG A 33 9.350 -11.497 7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.442 -12.113 7.352 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.690 -12.345 6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.714 -14.088 7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.052 -13.576 8.868 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.729 -14.092 7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.767 -15.170 6.679 1.00 0.00 H new ATOM 0 HE ARG A 33 7.114 -15.430 9.573 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.221 -16.428 6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.693 -17.939 7.507 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.427 -17.371 10.522 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.372 -18.469 9.626 1.00 0.00 H new ATOM 529 N PHE A 34 8.252 -8.772 7.496 1.00 0.00 N ATOM 530 CA PHE A 34 8.227 -7.540 6.724 1.00 0.00 C ATOM 531 C PHE A 34 9.467 -7.420 5.843 1.00 0.00 C ATOM 532 O PHE A 34 10.567 -7.801 6.246 1.00 0.00 O ATOM 533 CB PHE A 34 8.137 -6.341 7.667 1.00 0.00 C ATOM 534 CG PHE A 34 9.329 -6.195 8.569 1.00 0.00 C ATOM 535 CD1 PHE A 34 10.530 -5.708 8.079 1.00 0.00 C ATOM 536 CD2 PHE A 34 9.248 -6.544 9.908 1.00 0.00 C ATOM 537 CE1 PHE A 34 11.628 -5.572 8.907 1.00 0.00 C ATOM 538 CE2 PHE A 34 10.343 -6.410 10.740 1.00 0.00 C ATOM 539 CZ PHE A 34 11.534 -5.923 10.239 1.00 0.00 C ATOM 0 H PHE A 34 8.235 -8.636 8.507 1.00 0.00 H new ATOM 0 HA PHE A 34 7.351 -7.558 6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.026 -5.432 7.076 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.239 -6.436 8.278 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.609 -5.431 7.038 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.319 -6.925 10.305 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.559 -5.192 8.513 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.267 -6.686 11.781 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.391 -5.817 10.888 1.00 0.00 H new ATOM 549 N ASP A 35 9.282 -6.885 4.641 1.00 0.00 N ATOM 550 CA ASP A 35 10.384 -6.711 3.701 1.00 0.00 C ATOM 551 C ASP A 35 10.600 -5.233 3.392 1.00 0.00 C ATOM 552 O ASP A 35 9.657 -4.515 3.067 1.00 0.00 O ATOM 553 CB ASP A 35 10.106 -7.479 2.408 1.00 0.00 C ATOM 554 CG ASP A 35 11.367 -7.745 1.610 1.00 0.00 C ATOM 555 OD1 ASP A 35 12.326 -8.303 2.184 1.00 0.00 O ATOM 556 OD2 ASP A 35 11.396 -7.395 0.411 1.00 0.00 O ATOM 0 H ASP A 35 8.378 -6.564 4.294 1.00 0.00 H new ATOM 0 HA ASP A 35 11.290 -7.107 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.625 -8.427 2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.405 -6.912 1.796 1.00 0.00 H new ATOM 561 N ARG A 36 11.846 -4.784 3.500 1.00 0.00 N ATOM 562 CA ARG A 36 12.181 -3.389 3.234 1.00 0.00 C ATOM 563 C ARG A 36 12.032 -3.059 1.750 1.00 0.00 C ATOM 564 O ARG A 36 11.851 -1.899 1.380 1.00 0.00 O ATOM 565 CB ARG A 36 13.610 -3.091 3.690 1.00 0.00 C ATOM 566 CG ARG A 36 13.904 -3.547 5.110 1.00 0.00 C ATOM 567 CD ARG A 36 15.270 -3.070 5.576 1.00 0.00 C ATOM 568 NE ARG A 36 15.562 -3.497 6.942 1.00 0.00 N ATOM 569 CZ ARG A 36 16.780 -3.485 7.479 1.00 0.00 C ATOM 570 NH1 ARG A 36 17.821 -3.068 6.769 1.00 0.00 N ATOM 571 NH2 ARG A 36 16.957 -3.890 8.729 1.00 0.00 N ATOM 0 H ARG A 36 12.640 -5.365 3.770 1.00 0.00 H new ATOM 0 HA ARG A 36 11.486 -2.765 3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.308 -3.578 3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.789 -2.018 3.617 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.135 -3.166 5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.861 -4.635 5.160 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.037 -3.455 4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.313 -1.982 5.519 1.00 0.00 H new ATOM 0 HE ARG A 36 14.787 -3.824 7.519 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.690 -2.755 5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.752 -3.061 7.185 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.160 -4.211 9.279 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.890 -3.881 9.141 1.00 0.00 H new ATOM 585 N HIS A 37 12.115 -4.082 0.905 1.00 0.00 N ATOM 586 CA HIS A 37 11.995 -3.893 -0.537 1.00 0.00 C ATOM 587 C HIS A 37 10.547 -3.632 -0.941 1.00 0.00 C ATOM 588 O HIS A 37 10.282 -2.889 -1.887 1.00 0.00 O ATOM 589 CB HIS A 37 12.528 -5.120 -1.278 1.00 0.00 C ATOM 590 CG HIS A 37 13.074 -4.808 -2.637 1.00 0.00 C ATOM 591 ND1 HIS A 37 14.270 -5.315 -3.103 1.00 0.00 N ATOM 592 CD2 HIS A 37 12.581 -4.037 -3.636 1.00 0.00 C ATOM 593 CE1 HIS A 37 14.488 -4.868 -4.327 1.00 0.00 C ATOM 594 NE2 HIS A 37 13.478 -4.092 -4.673 1.00 0.00 N ATOM 0 H HIS A 37 12.265 -5.049 1.193 1.00 0.00 H new ATOM 0 HA HIS A 37 12.589 -3.021 -0.811 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.311 -5.584 -0.679 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.726 -5.851 -1.377 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.654 -3.482 -3.619 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.347 -5.098 -4.940 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.380 -3.611 -5.567 1.00 0.00 H new ATOM 603 N LEU A 38 9.612 -4.248 -0.225 1.00 0.00 N ATOM 604 CA LEU A 38 8.192 -4.080 -0.518 1.00 0.00 C ATOM 605 C LEU A 38 7.562 -3.029 0.390 1.00 0.00 C ATOM 606 O LEU A 38 6.608 -2.353 0.004 1.00 0.00 O ATOM 607 CB LEU A 38 7.458 -5.413 -0.359 1.00 0.00 C ATOM 608 CG LEU A 38 7.933 -6.530 -1.289 1.00 0.00 C ATOM 609 CD1 LEU A 38 7.320 -7.861 -0.881 1.00 0.00 C ATOM 610 CD2 LEU A 38 7.587 -6.203 -2.734 1.00 0.00 C ATOM 0 H LEU A 38 9.811 -4.867 0.561 1.00 0.00 H new ATOM 0 HA LEU A 38 8.100 -3.739 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.567 -5.749 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.394 -5.247 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 38 9.017 -6.611 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.669 -8.644 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.617 -8.101 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.234 -7.793 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.932 -7.009 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.507 -6.095 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.073 -5.271 -3.023 1.00 0.00 H new ATOM 622 N PHE A 39 8.099 -2.898 1.598 1.00 0.00 N ATOM 623 CA PHE A 39 7.587 -1.931 2.562 1.00 0.00 C ATOM 624 C PHE A 39 8.613 -0.836 2.833 1.00 0.00 C ATOM 625 O PHE A 39 9.789 -0.975 2.498 1.00 0.00 O ATOM 626 CB PHE A 39 7.218 -2.632 3.871 1.00 0.00 C ATOM 627 CG PHE A 39 5.857 -3.268 3.850 1.00 0.00 C ATOM 628 CD1 PHE A 39 4.748 -2.549 3.433 1.00 0.00 C ATOM 629 CD2 PHE A 39 5.687 -4.584 4.249 1.00 0.00 C ATOM 630 CE1 PHE A 39 3.495 -3.131 3.413 1.00 0.00 C ATOM 631 CE2 PHE A 39 4.436 -5.171 4.231 1.00 0.00 C ATOM 632 CZ PHE A 39 3.339 -4.444 3.813 1.00 0.00 C ATOM 0 H PHE A 39 8.889 -3.449 1.933 1.00 0.00 H new ATOM 0 HA PHE A 39 6.694 -1.471 2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.964 -3.397 4.087 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.259 -1.908 4.685 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.865 -1.522 3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.541 -5.157 4.578 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.639 -2.560 3.085 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.316 -6.198 4.544 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.361 -4.901 3.799 1.00 0.00 H new ATOM 642 N GLN A 40 8.158 0.253 3.444 1.00 0.00 N ATOM 643 CA GLN A 40 9.034 1.375 3.762 1.00 0.00 C ATOM 644 C GLN A 40 9.703 1.174 5.119 1.00 0.00 C ATOM 645 O GLN A 40 9.284 0.330 5.910 1.00 0.00 O ATOM 646 CB GLN A 40 8.242 2.683 3.760 1.00 0.00 C ATOM 647 CG GLN A 40 9.118 3.925 3.761 1.00 0.00 C ATOM 648 CD GLN A 40 8.372 5.165 3.308 1.00 0.00 C ATOM 649 OE1 GLN A 40 7.460 5.636 3.987 1.00 0.00 O ATOM 650 NE2 GLN A 40 8.757 5.699 2.155 1.00 0.00 N ATOM 0 H GLN A 40 7.187 0.382 3.729 1.00 0.00 H new ATOM 0 HA GLN A 40 9.810 1.427 2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.596 2.705 2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.592 2.706 4.635 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.510 4.088 4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.975 3.762 3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.518 5.274 1.625 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.291 6.534 1.799 1.00 0.00 H new ATOM 659 N THR A 41 10.744 1.957 5.380 1.00 0.00 N ATOM 660 CA THR A 41 11.472 1.867 6.641 1.00 0.00 C ATOM 661 C THR A 41 10.569 2.227 7.817 1.00 0.00 C ATOM 662 O THR A 41 10.741 1.716 8.924 1.00 0.00 O ATOM 663 CB THR A 41 12.689 2.792 6.617 1.00 0.00 C ATOM 664 OG1 THR A 41 13.348 2.721 5.365 1.00 0.00 O ATOM 665 CG2 THR A 41 13.707 2.470 7.690 1.00 0.00 C ATOM 0 H THR A 41 11.103 2.661 4.735 1.00 0.00 H new ATOM 0 HA THR A 41 11.808 0.838 6.766 1.00 0.00 H new ATOM 0 HB THR A 41 12.295 3.792 6.800 1.00 0.00 H new ATOM 0 HG1 THR A 41 14.123 3.321 5.369 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.545 3.164 7.617 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.243 2.564 8.672 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.067 1.450 7.555 1.00 0.00 H new ATOM 673 N ARG A 42 9.607 3.110 7.570 1.00 0.00 N ATOM 674 CA ARG A 42 8.677 3.540 8.608 1.00 0.00 C ATOM 675 C ARG A 42 7.641 2.457 8.904 1.00 0.00 C ATOM 676 O ARG A 42 7.024 2.453 9.969 1.00 0.00 O ATOM 677 CB ARG A 42 7.976 4.834 8.187 1.00 0.00 C ATOM 678 CG ARG A 42 8.177 5.980 9.166 1.00 0.00 C ATOM 679 CD ARG A 42 6.966 6.899 9.204 1.00 0.00 C ATOM 680 NE ARG A 42 7.136 8.065 8.338 1.00 0.00 N ATOM 681 CZ ARG A 42 6.858 8.071 7.036 1.00 0.00 C ATOM 682 NH1 ARG A 42 6.395 6.979 6.440 1.00 0.00 N ATOM 683 NH2 ARG A 42 7.043 9.176 6.326 1.00 0.00 N ATOM 0 H ARG A 42 9.451 3.542 6.659 1.00 0.00 H new ATOM 0 HA ARG A 42 9.249 3.722 9.518 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.345 5.135 7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.909 4.641 8.080 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.363 5.580 10.163 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.060 6.552 8.882 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.080 6.344 8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.794 7.230 10.228 1.00 0.00 H new ATOM 0 HE ARG A 42 7.489 8.926 8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.249 6.126 6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.185 6.993 5.442 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.398 10.019 6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.831 9.183 5.328 1.00 0.00 H new ATOM 697 N ALA A 43 7.453 1.541 7.956 1.00 0.00 N ATOM 698 CA ALA A 43 6.491 0.456 8.119 1.00 0.00 C ATOM 699 C ALA A 43 6.766 -0.341 9.390 1.00 0.00 C ATOM 700 O ALA A 43 7.513 -1.320 9.372 1.00 0.00 O ATOM 701 CB ALA A 43 6.518 -0.459 6.904 1.00 0.00 C ATOM 0 H ALA A 43 7.954 1.530 7.068 1.00 0.00 H new ATOM 0 HA ALA A 43 5.498 0.897 8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.796 -1.264 7.039 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.262 0.113 6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.516 -0.882 6.789 1.00 0.00 H new ATOM 707 N THR A 44 6.158 0.085 10.493 1.00 0.00 N ATOM 708 CA THR A 44 6.338 -0.588 11.774 1.00 0.00 C ATOM 709 C THR A 44 5.037 -1.234 12.241 1.00 0.00 C ATOM 710 O THR A 44 5.052 -2.253 12.932 1.00 0.00 O ATOM 711 CB THR A 44 6.835 0.403 12.827 1.00 0.00 C ATOM 712 OG1 THR A 44 5.954 1.507 12.932 1.00 0.00 O ATOM 713 CG2 THR A 44 8.217 0.945 12.533 1.00 0.00 C ATOM 0 H THR A 44 5.536 0.893 10.525 1.00 0.00 H new ATOM 0 HA THR A 44 7.083 -1.373 11.641 1.00 0.00 H new ATOM 0 HB THR A 44 6.874 -0.161 13.759 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.288 2.129 13.612 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.509 1.642 13.318 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.930 0.122 12.495 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.208 1.462 11.574 1.00 0.00 H new ATOM 721 N THR A 45 3.912 -0.636 11.860 1.00 0.00 N ATOM 722 CA THR A 45 2.605 -1.156 12.242 1.00 0.00 C ATOM 723 C THR A 45 1.587 -0.953 11.121 1.00 0.00 C ATOM 724 O THR A 45 1.918 -0.427 10.058 1.00 0.00 O ATOM 725 CB THR A 45 2.122 -0.483 13.528 1.00 0.00 C ATOM 726 OG1 THR A 45 2.197 0.928 13.419 1.00 0.00 O ATOM 727 CG2 THR A 45 2.918 -0.889 14.749 1.00 0.00 C ATOM 0 H THR A 45 3.880 0.208 11.288 1.00 0.00 H new ATOM 0 HA THR A 45 2.703 -2.227 12.421 1.00 0.00 H new ATOM 0 HB THR A 45 1.091 -0.814 13.655 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.882 1.338 14.252 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.525 -0.376 15.627 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.840 -1.967 14.893 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.964 -0.617 14.608 1.00 0.00 H new ATOM 735 N LEU A 46 0.351 -1.384 11.360 1.00 0.00 N ATOM 736 CA LEU A 46 -0.712 -1.261 10.365 1.00 0.00 C ATOM 737 C LEU A 46 -0.968 0.197 9.988 1.00 0.00 C ATOM 738 O LEU A 46 -0.919 0.559 8.813 1.00 0.00 O ATOM 739 CB LEU A 46 -2.001 -1.895 10.890 1.00 0.00 C ATOM 740 CG LEU A 46 -2.068 -3.419 10.771 1.00 0.00 C ATOM 741 CD1 LEU A 46 -3.081 -3.988 11.753 1.00 0.00 C ATOM 742 CD2 LEU A 46 -2.416 -3.827 9.347 1.00 0.00 C ATOM 0 H LEU A 46 0.060 -1.822 12.234 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.386 -1.787 9.468 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.121 -1.622 11.938 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.845 -1.466 10.350 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.087 -3.827 11.016 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.114 -5.073 11.653 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.789 -3.726 12.770 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.066 -3.574 11.540 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.459 -4.914 9.280 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.385 -3.408 9.075 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.654 -3.452 8.664 1.00 0.00 H new ATOM 754 N GLN A 47 -1.247 1.029 10.988 1.00 0.00 N ATOM 755 CA GLN A 47 -1.515 2.444 10.751 1.00 0.00 C ATOM 756 C GLN A 47 -0.343 3.108 10.035 1.00 0.00 C ATOM 757 O GLN A 47 -0.533 3.871 9.088 1.00 0.00 O ATOM 758 CB GLN A 47 -1.799 3.161 12.074 1.00 0.00 C ATOM 759 CG GLN A 47 -2.063 4.651 11.916 1.00 0.00 C ATOM 760 CD GLN A 47 -3.467 4.945 11.424 1.00 0.00 C ATOM 761 OE1 GLN A 47 -3.948 4.324 10.477 1.00 0.00 O ATOM 762 NE2 GLN A 47 -4.131 5.899 12.066 1.00 0.00 N ATOM 0 H GLN A 47 -1.293 0.749 11.968 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.395 2.520 10.112 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.662 2.696 12.551 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.950 3.020 12.743 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.906 5.148 12.873 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.341 5.072 11.216 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.693 6.388 12.846 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.079 6.142 11.779 1.00 0.00 H new ATOM 771 N ALA A 48 0.868 2.810 10.492 1.00 0.00 N ATOM 772 CA ALA A 48 2.070 3.375 9.894 1.00 0.00 C ATOM 773 C ALA A 48 2.184 2.981 8.426 1.00 0.00 C ATOM 774 O ALA A 48 2.660 3.758 7.599 1.00 0.00 O ATOM 775 CB ALA A 48 3.304 2.924 10.662 1.00 0.00 C ATOM 0 H ALA A 48 1.043 2.180 11.275 1.00 0.00 H new ATOM 0 HA ALA A 48 2.000 4.461 9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.195 3.354 10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.231 3.258 11.697 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.371 1.836 10.636 1.00 0.00 H new ATOM 781 N CYS A 49 1.738 1.770 8.109 1.00 0.00 N ATOM 782 CA CYS A 49 1.785 1.272 6.739 1.00 0.00 C ATOM 783 C CYS A 49 0.814 2.044 5.852 1.00 0.00 C ATOM 784 O CYS A 49 1.123 2.361 4.704 1.00 0.00 O ATOM 785 CB CYS A 49 1.451 -0.220 6.704 1.00 0.00 C ATOM 786 SG CYS A 49 1.824 -1.024 5.128 1.00 0.00 S ATOM 0 H CYS A 49 1.340 1.115 8.782 1.00 0.00 H new ATOM 0 HA CYS A 49 2.796 1.418 6.358 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.004 -0.724 7.496 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.391 -0.349 6.924 1.00 0.00 H new ATOM 0 HG CYS A 49 2.680 -1.983 5.322 1.00 0.00 H new ATOM 792 N LEU A 50 -0.361 2.346 6.395 1.00 0.00 N ATOM 793 CA LEU A 50 -1.378 3.085 5.656 1.00 0.00 C ATOM 794 C LEU A 50 -0.977 4.549 5.505 1.00 0.00 C ATOM 795 O LEU A 50 -1.271 5.183 4.492 1.00 0.00 O ATOM 796 CB LEU A 50 -2.729 2.985 6.367 1.00 0.00 C ATOM 797 CG LEU A 50 -3.387 1.605 6.315 1.00 0.00 C ATOM 798 CD1 LEU A 50 -4.554 1.533 7.288 1.00 0.00 C ATOM 799 CD2 LEU A 50 -3.850 1.288 4.901 1.00 0.00 C ATOM 0 H LEU A 50 -0.632 2.090 7.344 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.466 2.644 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.595 3.268 7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.410 3.712 5.925 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.648 0.860 6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.010 0.544 7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.195 1.715 8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.295 2.288 7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.316 0.303 4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.573 2.037 4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.993 1.297 4.227 1.00 0.00 H new ATOM 811 N ASP A 51 -0.300 5.077 6.520 1.00 0.00 N ATOM 812 CA ASP A 51 0.146 6.465 6.502 1.00 0.00 C ATOM 813 C ASP A 51 1.280 6.653 5.500 1.00 0.00 C ATOM 814 O ASP A 51 1.242 7.558 4.666 1.00 0.00 O ATOM 815 CB ASP A 51 0.604 6.895 7.897 1.00 0.00 C ATOM 816 CG ASP A 51 -0.528 7.468 8.726 1.00 0.00 C ATOM 817 OD1 ASP A 51 -1.089 8.509 8.325 1.00 0.00 O ATOM 818 OD2 ASP A 51 -0.854 6.876 9.776 1.00 0.00 O ATOM 0 H ASP A 51 -0.048 4.564 7.365 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.694 7.089 6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.033 6.038 8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.395 7.639 7.803 1.00 0.00 H new ATOM 823 N GLU A 52 2.288 5.791 5.586 1.00 0.00 N ATOM 824 CA GLU A 52 3.431 5.860 4.685 1.00 0.00 C ATOM 825 C GLU A 52 2.988 5.665 3.239 1.00 0.00 C ATOM 826 O GLU A 52 3.382 6.421 2.351 1.00 0.00 O ATOM 827 CB GLU A 52 4.472 4.804 5.061 1.00 0.00 C ATOM 828 CG GLU A 52 3.969 3.376 4.918 1.00 0.00 C ATOM 829 CD GLU A 52 4.933 2.358 5.494 1.00 0.00 C ATOM 830 OE1 GLU A 52 5.366 2.539 6.651 1.00 0.00 O ATOM 831 OE2 GLU A 52 5.255 1.379 4.788 1.00 0.00 O ATOM 0 H GLU A 52 2.336 5.037 6.271 1.00 0.00 H new ATOM 0 HA GLU A 52 3.881 6.848 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.353 4.935 4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.788 4.968 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.005 3.282 5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.803 3.157 3.863 1.00 0.00 H new ATOM 838 N ALA A 53 2.163 4.648 3.012 1.00 0.00 N ATOM 839 CA ALA A 53 1.661 4.355 1.675 1.00 0.00 C ATOM 840 C ALA A 53 0.873 5.536 1.122 1.00 0.00 C ATOM 841 O ALA A 53 1.034 5.916 -0.038 1.00 0.00 O ATOM 842 CB ALA A 53 0.796 3.104 1.699 1.00 0.00 C ATOM 0 H ALA A 53 1.828 4.013 3.737 1.00 0.00 H new ATOM 0 HA ALA A 53 2.514 4.178 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.428 2.897 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.388 2.259 2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.049 3.259 2.370 1.00 0.00 H new ATOM 848 N GLY A 54 0.022 6.116 1.962 1.00 0.00 N ATOM 849 CA GLY A 54 -0.777 7.252 1.543 1.00 0.00 C ATOM 850 C GLY A 54 0.077 8.453 1.187 1.00 0.00 C ATOM 851 O GLY A 54 -0.295 9.258 0.333 1.00 0.00 O ATOM 0 H GLY A 54 -0.128 5.819 2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.382 6.970 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.467 7.523 2.342 1.00 0.00 H new ATOM 855 N ASP A 55 1.227 8.570 1.842 1.00 0.00 N ATOM 856 CA ASP A 55 2.141 9.678 1.591 1.00 0.00 C ATOM 857 C ASP A 55 2.849 9.498 0.252 1.00 0.00 C ATOM 858 O ASP A 55 3.128 10.470 -0.450 1.00 0.00 O ATOM 859 CB ASP A 55 3.172 9.781 2.716 1.00 0.00 C ATOM 860 CG ASP A 55 2.724 10.713 3.826 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.942 11.936 3.698 1.00 0.00 O ATOM 862 OD2 ASP A 55 2.155 10.219 4.822 1.00 0.00 O ATOM 0 H ASP A 55 1.548 7.911 2.551 1.00 0.00 H new ATOM 0 HA ASP A 55 1.560 10.599 1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.355 8.789 3.130 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.118 10.136 2.307 1.00 0.00 H new ATOM 867 N ASN A 56 3.133 8.247 -0.095 1.00 0.00 N ATOM 868 CA ASN A 56 3.805 7.937 -1.351 1.00 0.00 C ATOM 869 C ASN A 56 2.916 8.285 -2.539 1.00 0.00 C ATOM 870 O ASN A 56 3.348 8.957 -3.476 1.00 0.00 O ATOM 871 CB ASN A 56 4.185 6.456 -1.399 1.00 0.00 C ATOM 872 CG ASN A 56 5.417 6.148 -0.572 1.00 0.00 C ATOM 873 OD1 ASN A 56 6.137 7.053 -0.149 1.00 0.00 O ATOM 874 ND2 ASN A 56 5.667 4.866 -0.336 1.00 0.00 N ATOM 0 H ASN A 56 2.908 7.432 0.476 1.00 0.00 H new ATOM 0 HA ASN A 56 4.712 8.538 -1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.349 5.857 -1.037 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.363 6.163 -2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.482 4.598 0.215 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.044 4.148 -0.706 1.00 0.00 H new ATOM 881 N LEU A 57 1.669 7.827 -2.491 1.00 0.00 N ATOM 882 CA LEU A 57 0.715 8.094 -3.560 1.00 0.00 C ATOM 883 C LEU A 57 0.396 9.583 -3.639 1.00 0.00 C ATOM 884 O LEU A 57 0.202 10.131 -4.724 1.00 0.00 O ATOM 885 CB LEU A 57 -0.570 7.294 -3.339 1.00 0.00 C ATOM 886 CG LEU A 57 -1.260 7.535 -1.994 1.00 0.00 C ATOM 887 CD1 LEU A 57 -2.106 8.800 -2.045 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.111 6.333 -1.612 1.00 0.00 C ATOM 0 H LEU A 57 1.296 7.269 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 57 1.166 7.785 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.271 7.534 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.339 6.232 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.493 7.670 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.588 8.954 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.469 9.655 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.867 8.698 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.595 6.520 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.871 6.168 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.478 5.449 -1.533 1.00 0.00 H new ATOM 900 N ALA A 58 0.345 10.232 -2.480 1.00 0.00 N ATOM 901 CA ALA A 58 0.053 11.659 -2.416 1.00 0.00 C ATOM 902 C ALA A 58 1.145 12.468 -3.105 1.00 0.00 C ATOM 903 O ALA A 58 0.860 13.377 -3.885 1.00 0.00 O ATOM 904 CB ALA A 58 -0.104 12.102 -0.969 1.00 0.00 C ATOM 0 H ALA A 58 0.502 9.792 -1.573 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.885 11.840 -2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.322 13.170 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.923 11.551 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.820 11.904 -0.425 1.00 0.00 H new ATOM 910 N ALA A 59 2.396 12.129 -2.814 1.00 0.00 N ATOM 911 CA ALA A 59 3.533 12.821 -3.408 1.00 0.00 C ATOM 912 C ALA A 59 3.655 12.497 -4.893 1.00 0.00 C ATOM 913 O ALA A 59 4.146 13.308 -5.677 1.00 0.00 O ATOM 914 CB ALA A 59 4.816 12.453 -2.676 1.00 0.00 C ATOM 0 H ALA A 59 2.648 11.379 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 59 3.368 13.894 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.657 12.977 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.732 12.741 -1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.979 11.377 -2.745 1.00 0.00 H new ATOM 920 N LEU A 60 3.203 11.305 -5.272 1.00 0.00 N ATOM 921 CA LEU A 60 3.260 10.873 -6.663 1.00 0.00 C ATOM 922 C LEU A 60 2.298 11.686 -7.524 1.00 0.00 C ATOM 923 O LEU A 60 2.599 12.011 -8.672 1.00 0.00 O ATOM 924 CB LEU A 60 2.927 9.384 -6.771 1.00 0.00 C ATOM 925 CG LEU A 60 2.930 8.820 -8.194 1.00 0.00 C ATOM 926 CD1 LEU A 60 3.544 7.428 -8.217 1.00 0.00 C ATOM 927 CD2 LEU A 60 1.517 8.791 -8.758 1.00 0.00 C ATOM 0 H LEU A 60 2.793 10.622 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 60 4.274 11.038 -7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.645 8.823 -6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.944 9.215 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 60 3.538 9.472 -8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.537 7.044 -9.237 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.571 7.477 -7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.964 6.764 -7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.538 8.387 -9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.887 8.162 -8.129 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.113 9.803 -8.779 1.00 0.00 H new ATOM 939 N ARG A 61 1.139 12.012 -6.959 1.00 0.00 N ATOM 940 CA ARG A 61 0.132 12.788 -7.674 1.00 0.00 C ATOM 941 C ARG A 61 0.544 14.253 -7.770 1.00 0.00 C ATOM 942 O ARG A 61 0.365 14.892 -8.806 1.00 0.00 O ATOM 943 CB ARG A 61 -1.223 12.671 -6.973 1.00 0.00 C ATOM 944 CG ARG A 61 -2.408 12.775 -7.920 1.00 0.00 C ATOM 945 CD ARG A 61 -3.705 12.370 -7.237 1.00 0.00 C ATOM 946 NE ARG A 61 -4.869 13.006 -7.849 1.00 0.00 N ATOM 947 CZ ARG A 61 -5.434 12.588 -8.979 1.00 0.00 C ATOM 948 NH1 ARG A 61 -4.946 11.536 -9.624 1.00 0.00 N ATOM 949 NH2 ARG A 61 -6.491 13.224 -9.467 1.00 0.00 N ATOM 0 H ARG A 61 0.875 11.751 -6.009 1.00 0.00 H new ATOM 0 HA ARG A 61 0.046 12.386 -8.684 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.270 11.717 -6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.301 13.454 -6.219 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.493 13.798 -8.287 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.238 12.138 -8.788 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.817 11.287 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.658 12.639 -6.182 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.273 13.818 -7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.133 11.043 -9.254 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.384 11.220 -10.490 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.871 14.033 -8.976 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.924 12.904 -10.333 1.00 0.00 H new ATOM 963 N HIS A 62 1.099 14.778 -6.682 1.00 0.00 N ATOM 964 CA HIS A 62 1.539 16.168 -6.642 1.00 0.00 C ATOM 965 C HIS A 62 2.860 16.346 -7.386 1.00 0.00 C ATOM 966 O HIS A 62 3.158 17.429 -7.890 1.00 0.00 O ATOM 967 CB HIS A 62 1.692 16.633 -5.192 1.00 0.00 C ATOM 968 CG HIS A 62 1.678 18.122 -5.036 1.00 0.00 C ATOM 969 ND1 HIS A 62 0.752 18.789 -4.263 1.00 0.00 N ATOM 970 CD2 HIS A 62 2.487 19.075 -5.557 1.00 0.00 C ATOM 971 CE1 HIS A 62 0.990 20.087 -4.316 1.00 0.00 C ATOM 972 NE2 HIS A 62 2.037 20.287 -5.094 1.00 0.00 N ATOM 0 H HIS A 62 1.255 14.262 -5.816 1.00 0.00 H new ATOM 0 HA HIS A 62 0.781 16.776 -7.136 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.886 16.206 -4.595 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.627 16.243 -4.791 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.329 18.912 -6.214 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.424 20.854 -3.809 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.446 21.195 -5.316 1.00 0.00 H new ATOM 981 N ALA A 63 3.648 15.277 -7.448 1.00 0.00 N ATOM 982 CA ALA A 63 4.940 15.313 -8.127 1.00 0.00 C ATOM 983 C ALA A 63 4.801 15.806 -9.564 1.00 0.00 C ATOM 984 O ALA A 63 5.725 16.403 -10.117 1.00 0.00 O ATOM 985 CB ALA A 63 5.585 13.935 -8.101 1.00 0.00 C ATOM 0 H ALA A 63 3.414 14.374 -7.036 1.00 0.00 H new ATOM 0 HA ALA A 63 5.580 16.016 -7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.548 13.974 -8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.734 13.622 -7.067 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.936 13.220 -8.607 1.00 0.00 H new ATOM 991 N VAL A 64 3.642 15.554 -10.165 1.00 0.00 N ATOM 992 CA VAL A 64 3.387 15.973 -11.539 1.00 0.00 C ATOM 993 C VAL A 64 3.551 17.482 -11.694 1.00 0.00 C ATOM 994 O VAL A 64 3.938 17.969 -12.756 1.00 0.00 O ATOM 995 CB VAL A 64 1.972 15.572 -11.997 1.00 0.00 C ATOM 996 CG1 VAL A 64 1.815 14.059 -11.984 1.00 0.00 C ATOM 997 CG2 VAL A 64 0.917 16.231 -11.121 1.00 0.00 C ATOM 0 H VAL A 64 2.865 15.062 -9.723 1.00 0.00 H new ATOM 0 HA VAL A 64 4.120 15.464 -12.165 1.00 0.00 H new ATOM 0 HB VAL A 64 1.831 15.921 -13.020 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.809 13.795 -12.310 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.545 13.612 -12.659 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.978 13.685 -10.973 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.075 15.935 -11.461 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.055 15.916 -10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.015 17.315 -11.187 1.00 0.00 H new ATOM 1007 N GLU A 65 3.252 18.216 -10.627 1.00 0.00 N ATOM 1008 CA GLU A 65 3.366 19.670 -10.642 1.00 0.00 C ATOM 1009 C GLU A 65 4.826 20.106 -10.566 1.00 0.00 C ATOM 1010 O GLU A 65 5.192 21.171 -11.064 1.00 0.00 O ATOM 1011 CB GLU A 65 2.579 20.275 -9.478 1.00 0.00 C ATOM 1012 CG GLU A 65 2.236 21.743 -9.673 1.00 0.00 C ATOM 1013 CD GLU A 65 0.846 21.946 -10.244 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -0.062 21.167 -9.886 1.00 0.00 O ATOM 1015 OE2 GLU A 65 0.666 22.884 -11.049 1.00 0.00 O ATOM 0 H GLU A 65 2.929 17.828 -9.741 1.00 0.00 H new ATOM 0 HA GLU A 65 2.949 20.031 -11.582 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.657 19.710 -9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.159 20.165 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.311 22.260 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.969 22.198 -10.339 1.00 0.00 H new ATOM 1022 N GLN A 66 5.656 19.279 -9.939 1.00 0.00 N ATOM 1023 CA GLN A 66 7.076 19.583 -9.798 1.00 0.00 C ATOM 1024 C GLN A 66 7.897 18.915 -10.899 1.00 0.00 C ATOM 1025 O GLN A 66 9.103 18.719 -10.751 1.00 0.00 O ATOM 1026 CB GLN A 66 7.579 19.135 -8.423 1.00 0.00 C ATOM 1027 CG GLN A 66 8.242 20.247 -7.627 1.00 0.00 C ATOM 1028 CD GLN A 66 9.424 20.859 -8.353 1.00 0.00 C ATOM 1029 OE1 GLN A 66 10.553 20.382 -8.238 1.00 0.00 O ATOM 1030 NE2 GLN A 66 9.169 21.922 -9.107 1.00 0.00 N ATOM 0 H GLN A 66 5.370 18.394 -9.521 1.00 0.00 H new ATOM 0 HA GLN A 66 7.199 20.662 -9.891 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.741 18.739 -7.850 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.290 18.319 -8.553 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.508 21.025 -7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.575 19.853 -6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.218 22.284 -9.173 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.924 22.377 -9.620 1.00 0.00 H new ATOM 1039 N GLN A 67 7.239 18.567 -12.002 1.00 0.00 N ATOM 1040 CA GLN A 67 7.914 17.923 -13.125 1.00 0.00 C ATOM 1041 C GLN A 67 8.668 16.676 -12.669 1.00 0.00 C ATOM 1042 O GLN A 67 9.886 16.580 -12.827 1.00 0.00 O ATOM 1043 CB GLN A 67 8.878 18.903 -13.797 1.00 0.00 C ATOM 1044 CG GLN A 67 8.248 19.693 -14.933 1.00 0.00 C ATOM 1045 CD GLN A 67 7.899 18.823 -16.124 1.00 0.00 C ATOM 1046 OE1 GLN A 67 8.701 18.660 -17.044 1.00 0.00 O ATOM 1047 NE2 GLN A 67 6.697 18.259 -16.113 1.00 0.00 N ATOM 0 H GLN A 67 6.240 18.720 -12.142 1.00 0.00 H new ATOM 0 HA GLN A 67 7.155 17.619 -13.846 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.257 19.599 -13.048 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.735 18.351 -14.181 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.346 20.186 -14.571 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.935 20.478 -15.250 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.064 18.422 -15.330 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.406 17.663 -16.888 1.00 0.00 H new ATOM 1056 N GLN A 68 7.937 15.722 -12.101 1.00 0.00 N ATOM 1057 CA GLN A 68 8.537 14.482 -11.621 1.00 0.00 C ATOM 1058 C GLN A 68 7.840 13.269 -12.231 1.00 0.00 C ATOM 1059 O GLN A 68 7.735 12.217 -11.598 1.00 0.00 O ATOM 1060 CB GLN A 68 8.467 14.418 -10.093 1.00 0.00 C ATOM 1061 CG GLN A 68 9.831 14.420 -9.422 1.00 0.00 C ATOM 1062 CD GLN A 68 9.820 15.129 -8.082 1.00 0.00 C ATOM 1063 OE1 GLN A 68 9.777 14.492 -7.030 1.00 0.00 O ATOM 1064 NE2 GLN A 68 9.859 16.456 -8.114 1.00 0.00 N ATOM 0 H GLN A 68 6.928 15.784 -11.962 1.00 0.00 H new ATOM 0 HA GLN A 68 9.582 14.467 -11.929 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.890 15.268 -9.728 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.928 13.517 -9.799 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.165 13.392 -9.282 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.554 14.903 -10.079 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.894 16.944 -9.009 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.854 16.988 -7.243 1.00 0.00 H new ATOM 1073 N LEU A 69 7.365 13.422 -13.463 1.00 0.00 N ATOM 1074 CA LEU A 69 6.677 12.340 -14.159 1.00 0.00 C ATOM 1075 C LEU A 69 7.544 11.081 -14.217 1.00 0.00 C ATOM 1076 O LEU A 69 7.090 9.993 -13.862 1.00 0.00 O ATOM 1077 CB LEU A 69 6.291 12.782 -15.573 1.00 0.00 C ATOM 1078 CG LEU A 69 4.887 13.373 -15.703 1.00 0.00 C ATOM 1079 CD1 LEU A 69 4.712 14.545 -14.750 1.00 0.00 C ATOM 1080 CD2 LEU A 69 4.623 13.806 -17.137 1.00 0.00 C ATOM 0 H LEU A 69 7.444 14.285 -14.000 1.00 0.00 H new ATOM 0 HA LEU A 69 5.772 12.101 -13.601 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.014 13.522 -15.916 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.371 11.924 -16.241 1.00 0.00 H new ATOM 0 HG LEU A 69 4.162 12.603 -15.437 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.707 14.953 -14.856 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.859 14.205 -13.725 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.444 15.318 -14.985 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.619 14.224 -17.212 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.353 14.560 -17.430 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.707 12.944 -17.799 1.00 0.00 H new ATOM 1092 N PRO A 70 8.807 11.209 -14.664 1.00 0.00 N ATOM 1093 CA PRO A 70 9.726 10.069 -14.760 1.00 0.00 C ATOM 1094 C PRO A 70 9.836 9.304 -13.445 1.00 0.00 C ATOM 1095 O PRO A 70 10.059 8.093 -13.436 1.00 0.00 O ATOM 1096 CB PRO A 70 11.066 10.717 -15.114 1.00 0.00 C ATOM 1097 CG PRO A 70 10.705 12.003 -15.771 1.00 0.00 C ATOM 1098 CD PRO A 70 9.438 12.466 -15.108 1.00 0.00 C ATOM 0 HA PRO A 70 9.388 9.335 -15.491 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.672 10.884 -14.224 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.649 10.082 -15.781 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.500 12.739 -15.651 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.557 11.866 -16.842 1.00 0.00 H new ATOM 0 HD2 PRO A 70 9.643 13.131 -14.269 1.00 0.00 H new ATOM 0 HD3 PRO A 70 8.799 13.014 -15.800 1.00 0.00 H new ATOM 1106 N GLN A 71 9.679 10.019 -12.336 1.00 0.00 N ATOM 1107 CA GLN A 71 9.761 9.409 -11.013 1.00 0.00 C ATOM 1108 C GLN A 71 8.479 8.649 -10.679 1.00 0.00 C ATOM 1109 O GLN A 71 8.487 7.735 -9.855 1.00 0.00 O ATOM 1110 CB GLN A 71 10.027 10.481 -9.952 1.00 0.00 C ATOM 1111 CG GLN A 71 11.426 10.417 -9.362 1.00 0.00 C ATOM 1112 CD GLN A 71 12.107 11.771 -9.324 1.00 0.00 C ATOM 1113 OE1 GLN A 71 12.477 12.264 -8.259 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.275 12.381 -10.492 1.00 0.00 N ATOM 0 H GLN A 71 9.494 11.022 -12.327 1.00 0.00 H new ATOM 0 HA GLN A 71 10.588 8.699 -11.018 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.873 11.465 -10.395 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.298 10.375 -9.149 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.371 10.014 -8.351 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.032 9.726 -9.948 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.953 11.935 -11.351 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.726 13.295 -10.530 1.00 0.00 H new ATOM 1123 N VAL A 72 7.380 9.033 -11.322 1.00 0.00 N ATOM 1124 CA VAL A 72 6.093 8.387 -11.090 1.00 0.00 C ATOM 1125 C VAL A 72 6.174 6.889 -11.369 1.00 0.00 C ATOM 1126 O VAL A 72 5.487 6.091 -10.732 1.00 0.00 O ATOM 1127 CB VAL A 72 4.986 9.009 -11.966 1.00 0.00 C ATOM 1128 CG1 VAL A 72 3.638 8.362 -11.678 1.00 0.00 C ATOM 1129 CG2 VAL A 72 4.916 10.515 -11.749 1.00 0.00 C ATOM 0 H VAL A 72 7.355 9.788 -12.007 1.00 0.00 H new ATOM 0 HA VAL A 72 5.842 8.543 -10.041 1.00 0.00 H new ATOM 0 HB VAL A 72 5.234 8.822 -13.011 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.874 8.817 -12.308 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.694 7.294 -11.890 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.380 8.510 -10.629 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.130 10.937 -12.375 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.696 10.722 -10.702 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.872 10.966 -12.015 1.00 0.00 H new ATOM 1139 N ALA A 73 7.019 6.513 -12.324 1.00 0.00 N ATOM 1140 CA ALA A 73 7.189 5.111 -12.684 1.00 0.00 C ATOM 1141 C ALA A 73 7.726 4.305 -11.506 1.00 0.00 C ATOM 1142 O ALA A 73 7.171 3.267 -11.145 1.00 0.00 O ATOM 1143 CB ALA A 73 8.119 4.982 -13.881 1.00 0.00 C ATOM 0 H ALA A 73 7.596 7.160 -12.862 1.00 0.00 H new ATOM 0 HA ALA A 73 6.212 4.709 -12.952 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.237 3.929 -14.139 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.696 5.518 -14.730 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.092 5.406 -13.633 1.00 0.00 H new ATOM 1149 N TRP A 74 8.810 4.791 -10.909 1.00 0.00 N ATOM 1150 CA TRP A 74 9.424 4.117 -9.771 1.00 0.00 C ATOM 1151 C TRP A 74 8.488 4.121 -8.566 1.00 0.00 C ATOM 1152 O TRP A 74 8.219 3.077 -7.973 1.00 0.00 O ATOM 1153 CB TRP A 74 10.746 4.794 -9.405 1.00 0.00 C ATOM 1154 CG TRP A 74 11.711 3.880 -8.714 1.00 0.00 C ATOM 1155 CD1 TRP A 74 11.870 2.542 -8.930 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.649 4.237 -7.693 1.00 0.00 C ATOM 1157 NE1 TRP A 74 12.851 2.044 -8.106 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.344 3.066 -7.336 1.00 0.00 C ATOM 1159 CE3 TRP A 74 12.969 5.434 -7.045 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 14.339 3.057 -6.362 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 13.957 5.424 -6.078 1.00 0.00 C ATOM 1162 CH2 TRP A 74 14.632 4.243 -5.745 1.00 0.00 C ATOM 0 H TRP A 74 9.281 5.649 -11.195 1.00 0.00 H new ATOM 0 HA TRP A 74 9.618 3.083 -10.054 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.210 5.182 -10.312 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.542 5.649 -8.760 1.00 0.00 H new ATOM 0 HD1 TRP A 74 11.307 1.959 -9.644 1.00 0.00 H new ATOM 0 HE1 TRP A 74 13.162 1.073 -8.073 1.00 0.00 H new ATOM 0 HE3 TRP A 74 12.454 6.350 -7.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 14.860 2.147 -6.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 14.213 6.343 -5.571 1.00 0.00 H new ATOM 0 HH2 TRP A 74 15.400 4.269 -4.986 1.00 0.00 H new ATOM 1173 N LEU A 75 7.995 5.303 -8.211 1.00 0.00 N ATOM 1174 CA LEU A 75 7.089 5.444 -7.077 1.00 0.00 C ATOM 1175 C LEU A 75 5.828 4.610 -7.280 1.00 0.00 C ATOM 1176 O LEU A 75 5.290 4.038 -6.332 1.00 0.00 O ATOM 1177 CB LEU A 75 6.715 6.914 -6.876 1.00 0.00 C ATOM 1178 CG LEU A 75 7.785 7.765 -6.185 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.999 9.071 -6.934 1.00 0.00 C ATOM 1180 CD2 LEU A 75 7.399 8.036 -4.738 1.00 0.00 C ATOM 0 H LEU A 75 8.208 6.177 -8.692 1.00 0.00 H new ATOM 0 HA LEU A 75 7.603 5.082 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.495 7.354 -7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.798 6.963 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 75 8.722 7.209 -6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.763 9.660 -6.427 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.323 8.857 -7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.065 9.633 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.171 8.642 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.449 8.570 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.300 7.091 -4.205 1.00 0.00 H new ATOM 1192 N ALA A 76 5.362 4.545 -8.523 1.00 0.00 N ATOM 1193 CA ALA A 76 4.165 3.780 -8.850 1.00 0.00 C ATOM 1194 C ALA A 76 4.354 2.301 -8.531 1.00 0.00 C ATOM 1195 O ALA A 76 3.502 1.678 -7.898 1.00 0.00 O ATOM 1196 CB ALA A 76 3.805 3.964 -10.317 1.00 0.00 C ATOM 0 H ALA A 76 5.795 5.013 -9.319 1.00 0.00 H new ATOM 0 HA ALA A 76 3.346 4.155 -8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.909 3.387 -10.547 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.618 5.019 -10.516 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.630 3.618 -10.940 1.00 0.00 H new ATOM 1202 N GLU A 77 5.477 1.745 -8.974 1.00 0.00 N ATOM 1203 CA GLU A 77 5.780 0.339 -8.735 1.00 0.00 C ATOM 1204 C GLU A 77 5.836 0.042 -7.239 1.00 0.00 C ATOM 1205 O GLU A 77 5.320 -0.977 -6.779 1.00 0.00 O ATOM 1206 CB GLU A 77 7.109 -0.038 -9.392 1.00 0.00 C ATOM 1207 CG GLU A 77 7.114 -1.431 -9.999 1.00 0.00 C ATOM 1208 CD GLU A 77 7.056 -2.524 -8.949 1.00 0.00 C ATOM 1209 OE1 GLU A 77 7.644 -2.336 -7.864 1.00 0.00 O ATOM 1210 OE2 GLU A 77 6.423 -3.568 -9.213 1.00 0.00 O ATOM 0 H GLU A 77 6.192 2.247 -9.500 1.00 0.00 H new ATOM 0 HA GLU A 77 4.983 -0.259 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.339 0.689 -10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.904 0.028 -8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.263 -1.533 -10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.014 -1.558 -10.601 1.00 0.00 H new ATOM 1217 N HIS A 78 6.464 0.939 -6.486 1.00 0.00 N ATOM 1218 CA HIS A 78 6.586 0.773 -5.043 1.00 0.00 C ATOM 1219 C HIS A 78 5.213 0.748 -4.381 1.00 0.00 C ATOM 1220 O HIS A 78 4.980 -0.009 -3.439 1.00 0.00 O ATOM 1221 CB HIS A 78 7.432 1.901 -4.448 1.00 0.00 C ATOM 1222 CG HIS A 78 8.074 1.543 -3.143 1.00 0.00 C ATOM 1223 ND1 HIS A 78 9.204 2.170 -2.662 1.00 0.00 N ATOM 1224 CD2 HIS A 78 7.738 0.615 -2.216 1.00 0.00 C ATOM 1225 CE1 HIS A 78 9.536 1.643 -1.497 1.00 0.00 C ATOM 1226 NE2 HIS A 78 8.662 0.698 -1.204 1.00 0.00 N ATOM 0 H HIS A 78 6.896 1.788 -6.851 1.00 0.00 H new ATOM 0 HA HIS A 78 7.079 -0.180 -4.852 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.208 2.177 -5.162 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.803 2.780 -4.305 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.899 -0.064 -2.264 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.379 1.935 -0.888 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.672 0.123 -0.362 1.00 0.00 H new ATOM 1235 N LEU A 79 4.305 1.581 -4.882 1.00 0.00 N ATOM 1236 CA LEU A 79 2.954 1.653 -4.340 1.00 0.00 C ATOM 1237 C LEU A 79 2.224 0.326 -4.523 1.00 0.00 C ATOM 1238 O LEU A 79 1.569 -0.166 -3.605 1.00 0.00 O ATOM 1239 CB LEU A 79 2.169 2.778 -5.017 1.00 0.00 C ATOM 1240 CG LEU A 79 2.315 4.154 -4.364 1.00 0.00 C ATOM 1241 CD1 LEU A 79 1.651 5.223 -5.217 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.723 4.143 -2.963 1.00 0.00 C ATOM 0 H LEU A 79 4.481 2.215 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 79 3.028 1.863 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.490 2.850 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.113 2.508 -5.028 1.00 0.00 H new ATOM 0 HG LEU A 79 3.377 4.388 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.765 6.195 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.120 5.247 -6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.591 4.995 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.835 5.129 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.665 3.887 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.244 3.405 -2.354 1.00 0.00 H new ATOM 1254 N ALA A 80 2.344 -0.249 -5.716 1.00 0.00 N ATOM 1255 CA ALA A 80 1.698 -1.520 -6.020 1.00 0.00 C ATOM 1256 C ALA A 80 2.170 -2.616 -5.070 1.00 0.00 C ATOM 1257 O ALA A 80 1.364 -3.379 -4.537 1.00 0.00 O ATOM 1258 CB ALA A 80 1.970 -1.917 -7.463 1.00 0.00 C ATOM 0 H ALA A 80 2.883 0.146 -6.487 1.00 0.00 H new ATOM 0 HA ALA A 80 0.624 -1.396 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.482 -2.868 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.579 -1.150 -8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.044 -2.018 -7.616 1.00 0.00 H new ATOM 1264 N ALA A 81 3.480 -2.687 -4.862 1.00 0.00 N ATOM 1265 CA ALA A 81 4.060 -3.689 -3.975 1.00 0.00 C ATOM 1266 C ALA A 81 3.563 -3.506 -2.545 1.00 0.00 C ATOM 1267 O ALA A 81 3.302 -4.479 -1.839 1.00 0.00 O ATOM 1268 CB ALA A 81 5.579 -3.619 -4.022 1.00 0.00 C ATOM 0 H ALA A 81 4.160 -2.063 -5.295 1.00 0.00 H new ATOM 0 HA ALA A 81 3.743 -4.673 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.999 -4.372 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.920 -3.805 -5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.908 -2.630 -3.704 1.00 0.00 H new ATOM 1274 N GLN A 82 3.434 -2.252 -2.126 1.00 0.00 N ATOM 1275 CA GLN A 82 2.968 -1.940 -0.780 1.00 0.00 C ATOM 1276 C GLN A 82 1.553 -2.465 -0.560 1.00 0.00 C ATOM 1277 O GLN A 82 1.260 -3.078 0.466 1.00 0.00 O ATOM 1278 CB GLN A 82 3.006 -0.429 -0.542 1.00 0.00 C ATOM 1279 CG GLN A 82 4.357 0.078 -0.064 1.00 0.00 C ATOM 1280 CD GLN A 82 4.285 0.740 1.298 1.00 0.00 C ATOM 1281 OE1 GLN A 82 5.122 0.494 2.166 1.00 0.00 O ATOM 1282 NE2 GLN A 82 3.280 1.587 1.492 1.00 0.00 N ATOM 0 H GLN A 82 3.646 -1.435 -2.699 1.00 0.00 H new ATOM 0 HA GLN A 82 3.633 -2.430 -0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.742 0.083 -1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.247 -0.167 0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.059 -0.755 -0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.751 0.790 -0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.609 1.761 0.744 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.180 2.063 2.389 1.00 0.00 H new ATOM 1291 N LEU A 83 0.680 -2.221 -1.532 1.00 0.00 N ATOM 1292 CA LEU A 83 -0.705 -2.669 -1.446 1.00 0.00 C ATOM 1293 C LEU A 83 -0.784 -4.193 -1.438 1.00 0.00 C ATOM 1294 O LEU A 83 -1.543 -4.781 -0.667 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.516 -2.106 -2.616 1.00 0.00 C ATOM 1296 CG LEU A 83 -2.803 -1.379 -2.222 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -3.121 -0.279 -3.223 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -3.960 -2.362 -2.120 1.00 0.00 C ATOM 0 H LEU A 83 0.907 -1.716 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.126 -2.299 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.885 -1.417 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.771 -2.925 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.655 -0.920 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.040 0.228 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.302 0.440 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.250 -0.715 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.868 -1.828 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.109 -2.849 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.733 -3.114 -1.364 1.00 0.00 H new ATOM 1310 N GLU A 84 0.004 -4.826 -2.302 1.00 0.00 N ATOM 1311 CA GLU A 84 0.023 -6.282 -2.395 1.00 0.00 C ATOM 1312 C GLU A 84 0.414 -6.910 -1.061 1.00 0.00 C ATOM 1313 O GLU A 84 -0.172 -7.905 -0.636 1.00 0.00 O ATOM 1314 CB GLU A 84 0.997 -6.731 -3.486 1.00 0.00 C ATOM 1315 CG GLU A 84 0.517 -6.423 -4.895 1.00 0.00 C ATOM 1316 CD GLU A 84 1.507 -6.863 -5.956 1.00 0.00 C ATOM 1317 OE1 GLU A 84 2.724 -6.850 -5.675 1.00 0.00 O ATOM 1318 OE2 GLU A 84 1.065 -7.221 -7.068 1.00 0.00 O ATOM 0 H GLU A 84 0.637 -4.354 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.982 -6.616 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.959 -6.245 -3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.163 -7.804 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.438 -6.919 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.341 -5.351 -4.989 1.00 0.00 H new ATOM 1325 N ALA A 85 1.411 -6.322 -0.406 1.00 0.00 N ATOM 1326 CA ALA A 85 1.881 -6.825 0.878 1.00 0.00 C ATOM 1327 C ALA A 85 0.799 -6.706 1.947 1.00 0.00 C ATOM 1328 O ALA A 85 0.598 -7.621 2.745 1.00 0.00 O ATOM 1329 CB ALA A 85 3.135 -6.079 1.309 1.00 0.00 C ATOM 0 H ALA A 85 1.908 -5.498 -0.744 1.00 0.00 H new ATOM 0 HA ALA A 85 2.121 -7.882 0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.476 -6.465 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.917 -6.221 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.912 -5.016 1.403 1.00 0.00 H new ATOM 1335 N ILE A 86 0.105 -5.573 1.956 1.00 0.00 N ATOM 1336 CA ILE A 86 -0.956 -5.336 2.927 1.00 0.00 C ATOM 1337 C ILE A 86 -2.131 -6.282 2.698 1.00 0.00 C ATOM 1338 O ILE A 86 -2.617 -6.922 3.630 1.00 0.00 O ATOM 1339 CB ILE A 86 -1.463 -3.881 2.866 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -0.290 -2.904 2.964 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -2.469 -3.621 3.978 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -0.503 -1.624 2.186 1.00 0.00 C ATOM 0 H ILE A 86 0.258 -4.805 1.302 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.529 -5.521 3.912 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.962 -3.727 1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.119 -2.658 4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.613 -3.395 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.817 -2.590 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.317 -4.297 3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.995 -3.790 4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.368 -0.979 2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.644 -1.859 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.387 -1.111 2.565 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.583 -6.364 1.451 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.701 -7.230 1.098 1.00 0.00 C ATOM 1356 C ALA A 87 -3.373 -8.693 1.378 1.00 0.00 C ATOM 1357 O ALA A 87 -4.249 -9.477 1.744 1.00 0.00 O ATOM 1358 CB ALA A 87 -4.072 -7.042 -0.365 1.00 0.00 C ATOM 0 H ALA A 87 -2.192 -5.841 0.668 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.554 -6.951 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.908 -7.695 -0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.357 -6.004 -0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.216 -7.292 -0.992 1.00 0.00 H new ATOM 1364 N ARG A 88 -2.106 -9.054 1.204 1.00 0.00 N ATOM 1365 CA ARG A 88 -1.662 -10.424 1.437 1.00 0.00 C ATOM 1366 C ARG A 88 -1.778 -10.791 2.913 1.00 0.00 C ATOM 1367 O ARG A 88 -2.323 -11.838 3.262 1.00 0.00 O ATOM 1368 CB ARG A 88 -0.216 -10.600 0.968 1.00 0.00 C ATOM 1369 CG ARG A 88 0.165 -12.047 0.700 1.00 0.00 C ATOM 1370 CD ARG A 88 1.613 -12.168 0.253 1.00 0.00 C ATOM 1371 NE ARG A 88 1.977 -13.549 -0.057 1.00 0.00 N ATOM 1372 CZ ARG A 88 3.176 -13.918 -0.501 1.00 0.00 C ATOM 1373 NH1 ARG A 88 4.130 -13.014 -0.688 1.00 0.00 N ATOM 1374 NH2 ARG A 88 3.423 -15.195 -0.759 1.00 0.00 N ATOM 0 H ARG A 88 -1.368 -8.417 0.902 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.307 -11.090 0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.065 -10.019 0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.455 -10.190 1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.011 -12.638 1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.490 -12.461 -0.067 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.774 -11.545 -0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.267 -11.788 1.037 1.00 0.00 H new ATOM 0 HE ARG A 88 1.270 -14.273 0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.946 -12.030 -0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.047 -13.303 -1.029 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.694 -15.894 -0.617 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.342 -15.478 -1.099 1.00 0.00 H new ATOM 1388 N GLU A 89 -1.263 -9.921 3.777 1.00 0.00 N ATOM 1389 CA GLU A 89 -1.310 -10.155 5.216 1.00 0.00 C ATOM 1390 C GLU A 89 -2.745 -10.116 5.730 1.00 0.00 C ATOM 1391 O GLU A 89 -3.138 -10.931 6.564 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.464 -9.112 5.950 1.00 0.00 C ATOM 1393 CG GLU A 89 1.009 -9.154 5.580 1.00 0.00 C ATOM 1394 CD GLU A 89 1.685 -7.804 5.717 1.00 0.00 C ATOM 1395 OE1 GLU A 89 1.001 -6.776 5.526 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.897 -7.774 6.014 1.00 0.00 O ATOM 0 H GLU A 89 -0.809 -9.049 3.506 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.903 -11.147 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.857 -8.119 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.565 -9.265 7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.519 -9.877 6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.112 -9.505 4.553 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.524 -9.162 5.227 1.00 0.00 N ATOM 1404 CA ALA A 90 -4.917 -9.015 5.636 1.00 0.00 C ATOM 1405 C ALA A 90 -5.697 -10.308 5.417 1.00 0.00 C ATOM 1406 O ALA A 90 -6.317 -10.834 6.341 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.570 -7.869 4.878 1.00 0.00 C ATOM 0 H ALA A 90 -3.214 -8.479 4.535 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.933 -8.790 6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.609 -7.770 5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.037 -6.942 5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.533 -8.073 3.808 1.00 0.00 H new