USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 515 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 60 CYS SG : rot 127:sc= 1.27 USER MOD Set 1.2: A 68 CYS SG : rot 114:sc= -0.285 USER MOD Set 1.3: A 73 CYS SG : rot -110:sc= 1.06 USER MOD Set 1.4: A 77 HIS :FLIP no HD1:sc= -1.61 F(o=-0.94,f=0.42) USER MOD Set 2.1: A 26 CYS SG : rot 132:sc= 0.223 USER MOD Set 2.2: A 34 CYS SG : rot -146:sc= -0.295 USER MOD Set 2.3: A 41 CYS SG : rot 139:sc= -0.778 USER MOD Set 2.4: A 45 HIS :FLIP no HD1:sc= -0.717 F(o=-2.5,f=-1.6) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.88 K(o=-1.9,f=-7.5!) USER MOD Single : A 30 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.3!) USER MOD Single : A 33 THR OG1 : rot -49:sc= 1.08 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0146) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0312 USER MOD Single : A 50 CYS SG : rot -75:sc= -1.63 USER MOD Single : A 51 GLN : amide:sc= -0.0586 X(o=-0.059,f=0) USER MOD Single : A 54 ASN : amide:sc= -1.8! C(o=-1.8!,f=-1.5!) USER MOD Single : A 63 SER OG : rot -52:sc= -0.1 USER MOD Single : A 65 LYS NZ :NH3+ -156:sc= -0.0991 (180deg=-0.518) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -150:sc= -0.753 (180deg=-1.95!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.003 USER MOD Single : A 81 HIS :FLIP no HE2:sc= -8.99! C(o=-11!,f=-9!) USER MOD Single : A 83 LYS NZ :NH3+ -123:sc= 0.0127 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -7.12! C(o=-7.1!,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -1.281 7.125 4.682 1.00 0.00 N ATOM 193 CA LEU A 21 -0.721 5.835 4.292 1.00 0.00 C ATOM 194 C LEU A 21 -1.121 4.746 5.283 1.00 0.00 C ATOM 195 O LEU A 21 -0.319 3.875 5.622 1.00 0.00 O ATOM 196 CB LEU A 21 0.803 5.925 4.203 1.00 0.00 C ATOM 197 CG LEU A 21 1.359 6.900 3.164 1.00 0.00 C ATOM 198 CD1 LEU A 21 2.797 7.269 3.494 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.266 6.302 1.768 1.00 0.00 C ATOM 0 HA LEU A 21 -1.121 5.574 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.188 6.210 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.193 4.931 3.985 1.00 0.00 H new ATOM 0 HG LEU A 21 0.758 7.809 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.176 7.963 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.836 7.740 4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.412 6.369 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.666 7.010 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.842 5.377 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.223 6.090 1.532 1.00 0.00 H new ATOM 211 N THR A 22 -2.367 4.800 5.743 1.00 0.00 N ATOM 212 CA THR A 22 -2.874 3.819 6.694 1.00 0.00 C ATOM 213 C THR A 22 -3.951 2.946 6.061 1.00 0.00 C ATOM 214 O THR A 22 -4.697 3.396 5.190 1.00 0.00 O ATOM 215 CB THR A 22 -3.452 4.499 7.949 1.00 0.00 C ATOM 216 OG1 THR A 22 -4.286 5.599 7.570 1.00 0.00 O ATOM 217 CG2 THR A 22 -2.337 4.991 8.860 1.00 0.00 C ATOM 0 H THR A 22 -3.044 5.513 5.472 1.00 0.00 H new ATOM 0 HA THR A 22 -2.029 3.195 6.985 1.00 0.00 H new ATOM 0 HB THR A 22 -4.046 3.764 8.493 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.651 6.025 8.374 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.770 5.468 9.740 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.722 4.147 9.171 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.720 5.712 8.323 1.00 0.00 H new ATOM 225 N LEU A 23 -4.029 1.696 6.503 1.00 0.00 N ATOM 226 CA LEU A 23 -5.017 0.759 5.980 1.00 0.00 C ATOM 227 C LEU A 23 -5.522 -0.170 7.079 1.00 0.00 C ATOM 228 O LEU A 23 -4.754 -0.612 7.932 1.00 0.00 O ATOM 229 CB LEU A 23 -4.415 -0.063 4.839 1.00 0.00 C ATOM 230 CG LEU A 23 -3.961 0.726 3.610 1.00 0.00 C ATOM 231 CD1 LEU A 23 -2.969 -0.085 2.792 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.159 1.123 2.759 1.00 0.00 C ATOM 0 H LEU A 23 -3.420 1.308 7.223 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.861 1.334 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.559 -0.615 5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.152 -0.800 4.521 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.464 1.635 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.657 0.492 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.098 -0.318 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.440 -1.011 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.817 1.684 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.684 0.227 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.834 1.744 3.348 1.00 0.00 H new ATOM 244 N GLU A 24 -6.819 -0.463 7.050 1.00 0.00 N ATOM 245 CA GLU A 24 -7.426 -1.340 8.044 1.00 0.00 C ATOM 246 C GLU A 24 -6.912 -2.770 7.893 1.00 0.00 C ATOM 247 O GLU A 24 -7.003 -3.364 6.819 1.00 0.00 O ATOM 248 CB GLU A 24 -8.950 -1.318 7.913 1.00 0.00 C ATOM 249 CG GLU A 24 -9.579 -0.006 8.350 1.00 0.00 C ATOM 250 CD GLU A 24 -10.905 0.262 7.666 1.00 0.00 C ATOM 251 OE1 GLU A 24 -11.774 -0.635 7.687 1.00 0.00 O ATOM 252 OE2 GLU A 24 -11.075 1.367 7.110 1.00 0.00 O ATOM 0 H GLU A 24 -7.469 -0.106 6.349 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.148 -0.974 9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.220 -1.513 6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.369 -2.129 8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.728 -0.021 9.430 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.891 0.812 8.134 1.00 0.00 H new ATOM 259 N VAL A 25 -6.372 -3.315 8.978 1.00 0.00 N ATOM 260 CA VAL A 25 -5.844 -4.675 8.968 1.00 0.00 C ATOM 261 C VAL A 25 -6.970 -5.702 9.010 1.00 0.00 C ATOM 262 O VAL A 25 -7.968 -5.518 9.708 1.00 0.00 O ATOM 263 CB VAL A 25 -4.899 -4.918 10.159 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.364 -6.342 10.134 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.758 -3.911 10.148 1.00 0.00 C ATOM 0 H VAL A 25 -6.288 -2.836 9.875 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.285 -4.791 8.040 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.463 -4.783 11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.698 -6.495 10.983 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.196 -7.044 10.194 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.815 -6.508 9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.100 -4.097 10.997 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.193 -4.012 9.221 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.163 -2.901 10.218 1.00 0.00 H new ATOM 275 N CYS A 26 -6.804 -6.784 8.257 1.00 0.00 N ATOM 276 CA CYS A 26 -7.806 -7.842 8.207 1.00 0.00 C ATOM 277 C CYS A 26 -7.996 -8.477 9.581 1.00 0.00 C ATOM 278 O CYS A 26 -7.163 -9.262 10.035 1.00 0.00 O ATOM 279 CB CYS A 26 -7.398 -8.911 7.191 1.00 0.00 C ATOM 280 SG CYS A 26 -8.584 -10.286 7.041 1.00 0.00 S ATOM 0 H CYS A 26 -5.985 -6.951 7.673 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.752 -7.398 7.898 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.277 -8.442 6.215 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.425 -9.314 7.474 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.827 -10.515 5.784 1.00 0.00 H new ATOM 285 N ARG A 27 -9.098 -8.132 10.239 1.00 0.00 N ATOM 286 CA ARG A 27 -9.398 -8.667 11.562 1.00 0.00 C ATOM 287 C ARG A 27 -8.962 -10.125 11.670 1.00 0.00 C ATOM 288 O ARG A 27 -8.181 -10.486 12.549 1.00 0.00 O ATOM 289 CB ARG A 27 -10.894 -8.547 11.857 1.00 0.00 C ATOM 290 CG ARG A 27 -11.258 -8.868 13.297 1.00 0.00 C ATOM 291 CD ARG A 27 -12.739 -8.645 13.560 1.00 0.00 C ATOM 292 NE ARG A 27 -13.575 -9.577 12.808 1.00 0.00 N ATOM 293 CZ ARG A 27 -13.995 -9.350 11.568 1.00 0.00 C ATOM 294 NH1 ARG A 27 -13.659 -8.229 10.945 1.00 0.00 N ATOM 295 NH2 ARG A 27 -14.753 -10.246 10.949 1.00 0.00 N ATOM 0 H ARG A 27 -9.798 -7.484 9.878 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.842 -8.084 12.297 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.221 -7.533 11.626 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.441 -9.218 11.195 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.000 -9.904 13.516 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.670 -8.244 13.970 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.939 -8.758 14.626 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.005 -7.622 13.292 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.851 -10.449 13.259 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.076 -7.538 11.418 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.983 -8.058 9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.014 -11.110 11.425 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.075 -10.071 9.997 1.00 0.00 H new ATOM 309 N GLN A 28 -9.475 -10.959 10.770 1.00 0.00 N ATOM 310 CA GLN A 28 -9.140 -12.378 10.765 1.00 0.00 C ATOM 311 C GLN A 28 -7.628 -12.580 10.749 1.00 0.00 C ATOM 312 O GLN A 28 -7.067 -13.218 11.641 1.00 0.00 O ATOM 313 CB GLN A 28 -9.771 -13.069 9.556 1.00 0.00 C ATOM 314 CG GLN A 28 -11.285 -12.935 9.500 1.00 0.00 C ATOM 315 CD GLN A 28 -11.961 -13.430 10.764 1.00 0.00 C ATOM 316 OE1 GLN A 28 -11.349 -14.121 11.579 1.00 0.00 O ATOM 317 NE2 GLN A 28 -13.230 -13.079 10.932 1.00 0.00 N ATOM 0 H GLN A 28 -10.124 -10.676 10.036 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.539 -12.822 11.677 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.344 -12.651 8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.509 -14.127 9.575 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.548 -11.890 9.337 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.664 -13.496 8.646 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.698 -12.505 10.230 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.738 -13.383 11.763 1.00 0.00 H new ATOM 326 N PHE A 29 -6.974 -12.033 9.730 1.00 0.00 N ATOM 327 CA PHE A 29 -5.526 -12.155 9.597 1.00 0.00 C ATOM 328 C PHE A 29 -4.846 -12.062 10.960 1.00 0.00 C ATOM 329 O PHE A 29 -4.093 -12.954 11.350 1.00 0.00 O ATOM 330 CB PHE A 29 -4.985 -11.066 8.669 1.00 0.00 C ATOM 331 CG PHE A 29 -3.485 -10.990 8.644 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.732 -12.052 8.169 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.828 -9.858 9.097 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.352 -11.985 8.146 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.448 -9.785 9.076 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.709 -10.850 8.599 1.00 0.00 C ATOM 0 H PHE A 29 -7.423 -11.501 8.984 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.306 -13.132 9.166 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.348 -11.248 7.658 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.384 -10.101 8.982 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.229 -12.942 7.813 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.401 -9.022 9.471 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.777 -12.820 7.774 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.948 -8.896 9.432 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.369 -10.795 8.580 1.00 0.00 H new ATOM 346 N GLN A 30 -5.116 -10.977 11.677 1.00 0.00 N ATOM 347 CA GLN A 30 -4.528 -10.767 12.995 1.00 0.00 C ATOM 348 C GLN A 30 -4.560 -12.051 13.816 1.00 0.00 C ATOM 349 O GLN A 30 -3.549 -12.459 14.388 1.00 0.00 O ATOM 350 CB GLN A 30 -5.272 -9.654 13.736 1.00 0.00 C ATOM 351 CG GLN A 30 -4.704 -8.268 13.480 1.00 0.00 C ATOM 352 CD GLN A 30 -3.462 -7.985 14.301 1.00 0.00 C ATOM 353 OE1 GLN A 30 -2.446 -8.668 14.167 1.00 0.00 O ATOM 354 NE2 GLN A 30 -3.535 -6.973 15.158 1.00 0.00 N ATOM 0 H GLN A 30 -5.738 -10.230 11.368 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.488 -10.471 12.859 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.320 -9.669 13.438 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.242 -9.858 14.806 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.466 -8.167 12.421 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.464 -7.520 13.708 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.397 -6.433 15.237 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.729 -6.736 15.737 1.00 0.00 H new ATOM 363 N ARG A 31 -5.727 -12.684 13.870 1.00 0.00 N ATOM 364 CA ARG A 31 -5.891 -13.922 14.623 1.00 0.00 C ATOM 365 C ARG A 31 -5.199 -15.084 13.916 1.00 0.00 C ATOM 366 O ARG A 31 -4.686 -15.998 14.559 1.00 0.00 O ATOM 367 CB ARG A 31 -7.376 -14.237 14.810 1.00 0.00 C ATOM 368 CG ARG A 31 -8.162 -13.106 15.455 1.00 0.00 C ATOM 369 CD ARG A 31 -9.462 -13.608 16.064 1.00 0.00 C ATOM 370 NE ARG A 31 -9.273 -14.106 17.424 1.00 0.00 N ATOM 371 CZ ARG A 31 -10.136 -14.905 18.040 1.00 0.00 C ATOM 372 NH1 ARG A 31 -11.242 -15.295 17.422 1.00 0.00 N ATOM 373 NH2 ARG A 31 -9.894 -15.316 19.278 1.00 0.00 N ATOM 0 H ARG A 31 -6.573 -12.360 13.401 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.429 -13.787 15.601 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.815 -14.466 13.839 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.474 -15.133 15.423 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.555 -12.634 16.228 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.380 -12.341 14.709 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.194 -12.800 16.072 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.871 -14.403 15.440 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.432 -13.825 17.928 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.432 -14.981 16.470 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.903 -15.909 17.898 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.044 -15.018 19.757 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.558 -15.930 19.750 1.00 0.00 H new ATOM 387 N GLY A 32 -5.190 -15.040 12.587 1.00 0.00 N ATOM 388 CA GLY A 32 -4.559 -16.095 11.815 1.00 0.00 C ATOM 389 C GLY A 32 -5.559 -17.105 11.288 1.00 0.00 C ATOM 390 O GLY A 32 -5.288 -18.306 11.264 1.00 0.00 O ATOM 0 H GLY A 32 -5.608 -14.293 12.032 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.017 -15.654 10.978 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.824 -16.606 12.437 1.00 0.00 H new ATOM 394 N THR A 33 -6.722 -16.619 10.864 1.00 0.00 N ATOM 395 CA THR A 33 -7.767 -17.487 10.338 1.00 0.00 C ATOM 396 C THR A 33 -8.327 -16.942 9.028 1.00 0.00 C ATOM 397 O THR A 33 -9.526 -17.036 8.768 1.00 0.00 O ATOM 398 CB THR A 33 -8.920 -17.654 11.346 1.00 0.00 C ATOM 399 OG1 THR A 33 -9.902 -18.555 10.823 1.00 0.00 O ATOM 400 CG2 THR A 33 -9.568 -16.312 11.653 1.00 0.00 C ATOM 0 H THR A 33 -6.963 -15.628 10.875 1.00 0.00 H new ATOM 0 HA THR A 33 -7.309 -18.459 10.158 1.00 0.00 H new ATOM 0 HB THR A 33 -8.510 -18.062 12.270 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.130 -18.295 9.906 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.379 -16.455 12.367 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.825 -15.638 12.078 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.965 -15.881 10.734 1.00 0.00 H new ATOM 408 N CYS A 34 -7.451 -16.374 8.207 1.00 0.00 N ATOM 409 CA CYS A 34 -7.857 -15.814 6.924 1.00 0.00 C ATOM 410 C CYS A 34 -7.281 -16.628 5.768 1.00 0.00 C ATOM 411 O CYS A 34 -6.064 -16.707 5.597 1.00 0.00 O ATOM 412 CB CYS A 34 -7.402 -14.357 6.812 1.00 0.00 C ATOM 413 SG CYS A 34 -7.565 -13.653 5.140 1.00 0.00 S ATOM 0 H CYS A 34 -6.454 -16.289 8.407 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.945 -15.853 6.867 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.983 -13.752 7.508 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.360 -14.288 7.123 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.598 -12.810 4.928 1.00 0.00 H new ATOM 418 N SER A 35 -8.164 -17.231 4.979 1.00 0.00 N ATOM 419 CA SER A 35 -7.744 -18.042 3.842 1.00 0.00 C ATOM 420 C SER A 35 -7.740 -17.217 2.558 1.00 0.00 C ATOM 421 O SER A 35 -8.051 -17.725 1.481 1.00 0.00 O ATOM 422 CB SER A 35 -8.667 -19.251 3.682 1.00 0.00 C ATOM 423 OG SER A 35 -9.970 -18.850 3.295 1.00 0.00 O ATOM 0 H SER A 35 -9.174 -17.173 5.106 1.00 0.00 H new ATOM 0 HA SER A 35 -6.729 -18.392 4.032 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.255 -19.930 2.936 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.716 -19.802 4.621 1.00 0.00 H new ATOM 0 HG SER A 35 -10.540 -19.641 3.198 1.00 0.00 H new ATOM 429 N ARG A 36 -7.387 -15.942 2.683 1.00 0.00 N ATOM 430 CA ARG A 36 -7.344 -15.046 1.534 1.00 0.00 C ATOM 431 C ARG A 36 -5.938 -14.488 1.332 1.00 0.00 C ATOM 432 O ARG A 36 -5.266 -14.110 2.291 1.00 0.00 O ATOM 433 CB ARG A 36 -8.338 -13.898 1.718 1.00 0.00 C ATOM 434 CG ARG A 36 -9.781 -14.357 1.854 1.00 0.00 C ATOM 435 CD ARG A 36 -10.488 -14.375 0.508 1.00 0.00 C ATOM 436 NE ARG A 36 -11.941 -14.391 0.654 1.00 0.00 N ATOM 437 CZ ARG A 36 -12.779 -13.952 -0.279 1.00 0.00 C ATOM 438 NH1 ARG A 36 -12.309 -13.465 -1.419 1.00 0.00 N ATOM 439 NH2 ARG A 36 -14.089 -14.000 -0.072 1.00 0.00 N ATOM 0 H ARG A 36 -7.127 -15.507 3.568 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.620 -15.618 0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.062 -13.328 2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.260 -13.221 0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.807 -15.354 2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.312 -13.694 2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.191 -13.499 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.171 -15.252 -0.057 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.334 -14.760 1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.303 -13.427 -1.581 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.954 -13.128 -2.134 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.454 -14.374 0.804 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.731 -13.663 -0.789 1.00 0.00 H new ATOM 453 N SER A 37 -5.500 -14.440 0.078 1.00 0.00 N ATOM 454 CA SER A 37 -4.173 -13.932 -0.250 1.00 0.00 C ATOM 455 C SER A 37 -4.096 -12.426 -0.020 1.00 0.00 C ATOM 456 O SER A 37 -5.066 -11.802 0.410 1.00 0.00 O ATOM 457 CB SER A 37 -3.825 -14.256 -1.704 1.00 0.00 C ATOM 458 OG SER A 37 -2.427 -14.417 -1.870 1.00 0.00 O ATOM 0 H SER A 37 -6.045 -14.747 -0.728 1.00 0.00 H new ATOM 0 HA SER A 37 -3.452 -14.419 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.338 -15.168 -2.009 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.182 -13.457 -2.353 1.00 0.00 H new ATOM 0 HG SER A 37 -2.231 -14.625 -2.807 1.00 0.00 H new ATOM 464 N ASP A 38 -2.934 -11.849 -0.308 1.00 0.00 N ATOM 465 CA ASP A 38 -2.728 -10.416 -0.134 1.00 0.00 C ATOM 466 C ASP A 38 -3.433 -9.628 -1.234 1.00 0.00 C ATOM 467 O ASP A 38 -3.908 -8.516 -1.007 1.00 0.00 O ATOM 468 CB ASP A 38 -1.234 -10.090 -0.134 1.00 0.00 C ATOM 469 CG ASP A 38 -0.547 -10.526 1.146 1.00 0.00 C ATOM 470 OD1 ASP A 38 -0.900 -9.994 2.219 1.00 0.00 O ATOM 471 OD2 ASP A 38 0.344 -11.398 1.074 1.00 0.00 O ATOM 0 H ASP A 38 -2.121 -12.352 -0.663 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.155 -10.127 0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.758 -10.580 -0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.099 -9.017 -0.268 1.00 0.00 H new ATOM 476 N GLU A 39 -3.495 -10.213 -2.427 1.00 0.00 N ATOM 477 CA GLU A 39 -4.140 -9.564 -3.562 1.00 0.00 C ATOM 478 C GLU A 39 -5.543 -10.122 -3.783 1.00 0.00 C ATOM 479 O GLU A 39 -6.231 -9.741 -4.729 1.00 0.00 O ATOM 480 CB GLU A 39 -3.300 -9.748 -4.828 1.00 0.00 C ATOM 481 CG GLU A 39 -1.991 -8.977 -4.808 1.00 0.00 C ATOM 482 CD GLU A 39 -0.997 -9.488 -5.833 1.00 0.00 C ATOM 483 OE1 GLU A 39 -1.010 -10.703 -6.119 1.00 0.00 O ATOM 484 OE2 GLU A 39 -0.206 -8.671 -6.349 1.00 0.00 O ATOM 0 H GLU A 39 -3.107 -11.134 -2.632 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.222 -8.500 -3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.085 -10.808 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.885 -9.431 -5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.192 -7.922 -4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.549 -9.044 -3.814 1.00 0.00 H new ATOM 491 N GLU A 40 -5.958 -11.028 -2.904 1.00 0.00 N ATOM 492 CA GLU A 40 -7.278 -11.640 -3.004 1.00 0.00 C ATOM 493 C GLU A 40 -8.236 -11.039 -1.980 1.00 0.00 C ATOM 494 O GLU A 40 -9.360 -10.661 -2.311 1.00 0.00 O ATOM 495 CB GLU A 40 -7.180 -13.153 -2.799 1.00 0.00 C ATOM 496 CG GLU A 40 -6.925 -13.926 -4.083 1.00 0.00 C ATOM 497 CD GLU A 40 -7.391 -15.366 -3.999 1.00 0.00 C ATOM 498 OE1 GLU A 40 -8.613 -15.586 -3.862 1.00 0.00 O ATOM 499 OE2 GLU A 40 -6.536 -16.273 -4.071 1.00 0.00 O ATOM 0 H GLU A 40 -5.400 -11.355 -2.115 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.668 -11.440 -4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.378 -13.364 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.105 -13.511 -2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.436 -13.430 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.859 -13.906 -4.309 1.00 0.00 H new ATOM 506 N CYS A 41 -7.782 -10.953 -0.733 1.00 0.00 N ATOM 507 CA CYS A 41 -8.597 -10.399 0.341 1.00 0.00 C ATOM 508 C CYS A 41 -8.836 -8.907 0.129 1.00 0.00 C ATOM 509 O CYS A 41 -8.043 -8.226 -0.523 1.00 0.00 O ATOM 510 CB CYS A 41 -7.922 -10.631 1.694 1.00 0.00 C ATOM 511 SG CYS A 41 -9.078 -10.702 3.100 1.00 0.00 S ATOM 0 H CYS A 41 -6.854 -11.260 -0.442 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.561 -10.908 0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.360 -11.564 1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.201 -9.832 1.870 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.722 -11.657 3.907 1.00 0.00 H new ATOM 516 N LYS A 42 -9.933 -8.404 0.684 1.00 0.00 N ATOM 517 CA LYS A 42 -10.277 -6.992 0.558 1.00 0.00 C ATOM 518 C LYS A 42 -9.480 -6.148 1.547 1.00 0.00 C ATOM 519 O LYS A 42 -9.517 -4.918 1.499 1.00 0.00 O ATOM 520 CB LYS A 42 -11.776 -6.789 0.789 1.00 0.00 C ATOM 521 CG LYS A 42 -12.600 -6.832 -0.487 1.00 0.00 C ATOM 522 CD LYS A 42 -12.737 -5.453 -1.109 1.00 0.00 C ATOM 523 CE LYS A 42 -13.696 -4.577 -0.318 1.00 0.00 C ATOM 524 NZ LYS A 42 -15.117 -4.943 -0.570 1.00 0.00 N ATOM 0 H LYS A 42 -10.600 -8.953 1.226 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.025 -6.670 -0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.137 -7.559 1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.933 -5.829 1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.131 -7.509 -1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.590 -7.234 -0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.759 -4.974 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.093 -5.549 -2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.480 -4.671 0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.537 -3.532 -0.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.741 -4.270 -0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.308 -4.911 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.296 -5.904 -0.214 1.00 0.00 H new ATOM 538 N PHE A 43 -8.759 -6.816 2.442 1.00 0.00 N ATOM 539 CA PHE A 43 -7.953 -6.126 3.442 1.00 0.00 C ATOM 540 C PHE A 43 -6.475 -6.468 3.279 1.00 0.00 C ATOM 541 O PHE A 43 -6.118 -7.395 2.553 1.00 0.00 O ATOM 542 CB PHE A 43 -8.421 -6.498 4.850 1.00 0.00 C ATOM 543 CG PHE A 43 -9.637 -5.738 5.298 1.00 0.00 C ATOM 544 CD1 PHE A 43 -10.778 -5.704 4.511 1.00 0.00 C ATOM 545 CD2 PHE A 43 -9.640 -5.057 6.504 1.00 0.00 C ATOM 546 CE1 PHE A 43 -11.898 -5.006 4.920 1.00 0.00 C ATOM 547 CE2 PHE A 43 -10.758 -4.358 6.919 1.00 0.00 C ATOM 548 CZ PHE A 43 -11.888 -4.331 6.125 1.00 0.00 C ATOM 0 H PHE A 43 -8.717 -7.834 2.495 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.078 -5.053 3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.638 -7.566 4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.609 -6.316 5.554 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.791 -6.229 3.567 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.758 -5.072 7.128 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.781 -4.988 4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.748 -3.834 7.863 1.00 0.00 H new ATOM 0 HZ PHE A 43 -12.762 -3.783 6.446 1.00 0.00 H new ATOM 558 N ALA A 44 -5.620 -5.712 3.960 1.00 0.00 N ATOM 559 CA ALA A 44 -4.181 -5.935 3.892 1.00 0.00 C ATOM 560 C ALA A 44 -3.703 -6.791 5.060 1.00 0.00 C ATOM 561 O ALA A 44 -4.172 -6.637 6.188 1.00 0.00 O ATOM 562 CB ALA A 44 -3.441 -4.605 3.871 1.00 0.00 C ATOM 0 H ALA A 44 -5.899 -4.940 4.565 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.964 -6.473 2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.367 -4.787 3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.753 -4.029 3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.672 -4.046 4.778 1.00 0.00 H new ATOM 568 N HIS A 45 -2.767 -7.693 4.782 1.00 0.00 N ATOM 569 CA HIS A 45 -2.225 -8.574 5.811 1.00 0.00 C ATOM 570 C HIS A 45 -0.729 -8.336 5.997 1.00 0.00 C ATOM 571 O HIS A 45 0.108 -8.924 5.312 1.00 0.00 O ATOM 572 CB HIS A 45 -2.479 -10.036 5.445 1.00 0.00 C ATOM 573 CG HIS A 45 -3.860 -10.293 4.926 1.00 0.00 C ATOM 574 ND1 HIS A 45 -5.015 -9.610 5.106 1.00 0.00 N flip ATOM 575 CD2 HIS A 45 -4.172 -11.364 4.116 1.00 0.00 C flip ATOM 576 CE1 HIS A 45 -5.993 -10.274 4.408 1.00 0.00 C flip ATOM 577 NE2 HIS A 45 -5.459 -11.328 3.819 1.00 0.00 N flip ATOM 0 H HIS A 45 -2.368 -7.833 3.854 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.730 -8.349 6.750 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.754 -10.345 4.692 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.309 -10.657 6.325 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.474 -12.115 3.777 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.031 -9.982 4.350 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.955 -12.000 3.234 1.00 0.00 H new ATOM 585 N PRO A 46 -0.383 -7.452 6.945 1.00 0.00 N ATOM 586 CA PRO A 46 1.012 -7.116 7.243 1.00 0.00 C ATOM 587 C PRO A 46 1.757 -8.269 7.908 1.00 0.00 C ATOM 588 O PRO A 46 1.336 -8.802 8.935 1.00 0.00 O ATOM 589 CB PRO A 46 0.894 -5.931 8.204 1.00 0.00 C ATOM 590 CG PRO A 46 -0.441 -6.094 8.844 1.00 0.00 C ATOM 591 CD PRO A 46 -1.328 -6.714 7.800 1.00 0.00 C ATOM 0 HA PRO A 46 1.580 -6.895 6.339 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.693 -5.942 8.946 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.965 -4.982 7.673 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.375 -6.729 9.727 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.837 -5.133 9.171 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.070 -7.377 8.245 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.874 -5.958 7.236 1.00 0.00 H new ATOM 599 N PRO A 47 2.891 -8.665 7.310 1.00 0.00 N ATOM 600 CA PRO A 47 3.719 -9.758 7.828 1.00 0.00 C ATOM 601 C PRO A 47 4.418 -9.388 9.132 1.00 0.00 C ATOM 602 O PRO A 47 4.300 -8.261 9.614 1.00 0.00 O ATOM 603 CB PRO A 47 4.745 -9.984 6.716 1.00 0.00 C ATOM 604 CG PRO A 47 4.828 -8.676 6.006 1.00 0.00 C ATOM 605 CD PRO A 47 3.453 -8.075 6.084 1.00 0.00 C ATOM 0 HA PRO A 47 3.126 -10.641 8.065 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.713 -10.275 7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.430 -10.781 6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.566 -8.024 6.474 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.136 -8.813 4.969 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.493 -6.987 6.143 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.855 -8.325 5.207 1.00 0.00 H new ATOM 613 N LYS A 48 5.148 -10.343 9.698 1.00 0.00 N ATOM 614 CA LYS A 48 5.869 -10.118 10.945 1.00 0.00 C ATOM 615 C LYS A 48 6.925 -9.030 10.774 1.00 0.00 C ATOM 616 O LYS A 48 6.955 -8.057 11.528 1.00 0.00 O ATOM 617 CB LYS A 48 6.530 -11.415 11.417 1.00 0.00 C ATOM 618 CG LYS A 48 5.538 -12.502 11.790 1.00 0.00 C ATOM 619 CD LYS A 48 4.971 -12.286 13.184 1.00 0.00 C ATOM 620 CE LYS A 48 4.429 -13.579 13.772 1.00 0.00 C ATOM 621 NZ LYS A 48 3.255 -14.087 13.010 1.00 0.00 N ATOM 0 H LYS A 48 5.256 -11.281 9.312 1.00 0.00 H new ATOM 0 HA LYS A 48 5.151 -9.789 11.696 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.185 -11.787 10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.161 -11.199 12.279 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.725 -12.518 11.064 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.028 -13.475 11.742 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.748 -11.886 13.836 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.175 -11.542 13.143 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.215 -14.334 13.774 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.143 -13.414 14.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.916 -14.970 13.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.495 -13.377 13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.533 -14.269 12.025 1.00 0.00 H new ATOM 635 N SER A 49 7.788 -9.200 9.778 1.00 0.00 N ATOM 636 CA SER A 49 8.847 -8.234 9.510 1.00 0.00 C ATOM 637 C SER A 49 8.280 -6.821 9.414 1.00 0.00 C ATOM 638 O SER A 49 8.851 -5.873 9.955 1.00 0.00 O ATOM 639 CB SER A 49 9.577 -8.592 8.215 1.00 0.00 C ATOM 640 OG SER A 49 8.707 -8.510 7.099 1.00 0.00 O ATOM 0 H SER A 49 7.775 -9.998 9.143 1.00 0.00 H new ATOM 0 HA SER A 49 9.555 -8.268 10.338 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.422 -7.918 8.072 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.983 -9.601 8.290 1.00 0.00 H new ATOM 0 HG SER A 49 9.198 -8.742 6.283 1.00 0.00 H new ATOM 646 N CYS A 50 7.155 -6.687 8.721 1.00 0.00 N ATOM 647 CA CYS A 50 6.510 -5.390 8.552 1.00 0.00 C ATOM 648 C CYS A 50 5.844 -4.941 9.849 1.00 0.00 C ATOM 649 O CYS A 50 5.134 -5.712 10.492 1.00 0.00 O ATOM 650 CB CYS A 50 5.474 -5.454 7.429 1.00 0.00 C ATOM 651 SG CYS A 50 6.189 -5.581 5.773 1.00 0.00 S ATOM 0 H CYS A 50 6.670 -7.461 8.267 1.00 0.00 H new ATOM 0 HA CYS A 50 7.277 -4.662 8.287 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.822 -6.311 7.599 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.848 -4.563 7.476 1.00 0.00 H new ATOM 0 HG CYS A 50 6.672 -4.427 5.419 1.00 0.00 H new ATOM 657 N GLN A 51 6.081 -3.688 10.227 1.00 0.00 N ATOM 658 CA GLN A 51 5.506 -3.138 11.448 1.00 0.00 C ATOM 659 C GLN A 51 3.985 -3.078 11.355 1.00 0.00 C ATOM 660 O GLN A 51 3.424 -2.970 10.265 1.00 0.00 O ATOM 661 CB GLN A 51 6.068 -1.741 11.717 1.00 0.00 C ATOM 662 CG GLN A 51 5.706 -1.193 13.088 1.00 0.00 C ATOM 663 CD GLN A 51 6.623 -1.704 14.181 1.00 0.00 C ATOM 664 OE1 GLN A 51 6.179 -2.368 15.119 1.00 0.00 O ATOM 665 NE2 GLN A 51 7.910 -1.398 14.067 1.00 0.00 N ATOM 0 H GLN A 51 6.667 -3.036 9.705 1.00 0.00 H new ATOM 0 HA GLN A 51 5.775 -3.796 12.275 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.153 -1.771 11.622 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.700 -1.057 10.953 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.749 -0.104 13.063 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.678 -1.466 13.324 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.234 -0.846 13.273 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.574 -1.715 14.773 1.00 0.00 H new ATOM 674 N VAL A 52 3.323 -3.148 12.505 1.00 0.00 N ATOM 675 CA VAL A 52 1.867 -3.101 12.554 1.00 0.00 C ATOM 676 C VAL A 52 1.383 -2.222 13.701 1.00 0.00 C ATOM 677 O VAL A 52 1.764 -2.424 14.854 1.00 0.00 O ATOM 678 CB VAL A 52 1.265 -4.509 12.711 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.251 -4.433 12.819 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.681 -5.399 11.550 1.00 0.00 C ATOM 0 H VAL A 52 3.773 -3.238 13.416 1.00 0.00 H new ATOM 0 HA VAL A 52 1.533 -2.675 11.608 1.00 0.00 H new ATOM 0 HB VAL A 52 1.649 -4.949 13.631 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.659 -5.438 12.929 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.524 -3.833 13.687 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.657 -3.974 11.918 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.246 -6.390 11.678 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.328 -4.966 10.614 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.768 -5.480 11.525 1.00 0.00 H new ATOM 690 N GLU A 53 0.541 -1.245 13.378 1.00 0.00 N ATOM 691 CA GLU A 53 0.006 -0.335 14.383 1.00 0.00 C ATOM 692 C GLU A 53 -1.247 -0.916 15.032 1.00 0.00 C ATOM 693 O GLU A 53 -1.797 -1.912 14.562 1.00 0.00 O ATOM 694 CB GLU A 53 -0.316 1.023 13.754 1.00 0.00 C ATOM 695 CG GLU A 53 -0.397 2.157 14.762 1.00 0.00 C ATOM 696 CD GLU A 53 0.771 2.163 15.729 1.00 0.00 C ATOM 697 OE1 GLU A 53 1.871 1.723 15.332 1.00 0.00 O ATOM 698 OE2 GLU A 53 0.586 2.607 16.881 1.00 0.00 O ATOM 0 H GLU A 53 0.215 -1.064 12.429 1.00 0.00 H new ATOM 0 HA GLU A 53 0.765 -0.200 15.154 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.447 1.261 13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.265 0.952 13.223 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.429 3.108 14.231 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.328 2.074 15.323 1.00 0.00 H new ATOM 705 N ASN A 54 -1.692 -0.288 16.115 1.00 0.00 N ATOM 706 CA ASN A 54 -2.879 -0.743 16.830 1.00 0.00 C ATOM 707 C ASN A 54 -4.065 -0.882 15.881 1.00 0.00 C ATOM 708 O ASN A 54 -4.635 0.112 15.433 1.00 0.00 O ATOM 709 CB ASN A 54 -3.225 0.231 17.958 1.00 0.00 C ATOM 710 CG ASN A 54 -4.654 0.073 18.439 1.00 0.00 C ATOM 711 OD1 ASN A 54 -5.603 0.306 17.691 1.00 0.00 O ATOM 712 ND2 ASN A 54 -4.814 -0.325 19.696 1.00 0.00 N ATOM 0 H ASN A 54 -1.248 0.538 16.517 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.662 -1.722 17.258 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.543 0.072 18.794 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.072 1.253 17.612 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.752 -0.449 20.076 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.999 -0.507 20.281 1.00 0.00 H new ATOM 719 N GLY A 55 -4.432 -2.124 15.579 1.00 0.00 N ATOM 720 CA GLY A 55 -5.549 -2.371 14.685 1.00 0.00 C ATOM 721 C GLY A 55 -5.399 -1.655 13.358 1.00 0.00 C ATOM 722 O GLY A 55 -6.380 -1.437 12.648 1.00 0.00 O ATOM 0 H GLY A 55 -3.976 -2.963 15.937 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.638 -3.443 14.508 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.473 -2.049 15.166 1.00 0.00 H new ATOM 726 N ARG A 56 -4.166 -1.287 13.022 1.00 0.00 N ATOM 727 CA ARG A 56 -3.892 -0.589 11.772 1.00 0.00 C ATOM 728 C ARG A 56 -2.459 -0.843 11.311 1.00 0.00 C ATOM 729 O ARG A 56 -1.633 -1.352 12.069 1.00 0.00 O ATOM 730 CB ARG A 56 -4.126 0.913 11.939 1.00 0.00 C ATOM 731 CG ARG A 56 -4.623 1.597 10.676 1.00 0.00 C ATOM 732 CD ARG A 56 -5.119 3.005 10.963 1.00 0.00 C ATOM 733 NE ARG A 56 -6.214 3.013 11.930 1.00 0.00 N ATOM 734 CZ ARG A 56 -7.487 2.830 11.600 1.00 0.00 C ATOM 735 NH1 ARG A 56 -7.825 2.624 10.334 1.00 0.00 N ATOM 736 NH2 ARG A 56 -8.427 2.851 12.537 1.00 0.00 N ATOM 0 H ARG A 56 -3.342 -1.461 13.598 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.574 -0.973 11.014 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.851 1.072 12.737 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.195 1.384 12.255 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.818 1.636 9.942 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.428 1.009 10.235 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.295 3.609 11.343 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.452 3.468 10.034 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.988 3.168 12.913 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.106 2.606 9.611 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.804 2.484 10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.172 3.008 13.512 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.405 2.710 12.282 1.00 0.00 H new ATOM 750 N VAL A 57 -2.172 -0.485 10.063 1.00 0.00 N ATOM 751 CA VAL A 57 -0.840 -0.673 9.502 1.00 0.00 C ATOM 752 C VAL A 57 -0.527 0.395 8.460 1.00 0.00 C ATOM 753 O VAL A 57 -1.409 0.832 7.720 1.00 0.00 O ATOM 754 CB VAL A 57 -0.695 -2.063 8.855 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.579 -2.175 7.623 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.760 -2.338 8.504 1.00 0.00 C ATOM 0 H VAL A 57 -2.844 -0.063 9.422 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.134 -0.589 10.328 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.020 -2.814 9.575 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.462 -3.164 7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.620 -2.025 7.908 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.289 -1.416 6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.844 -3.324 8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.114 -1.582 7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.365 -2.304 9.410 1.00 0.00 H new ATOM 766 N ILE A 58 0.734 0.811 8.407 1.00 0.00 N ATOM 767 CA ILE A 58 1.163 1.827 7.454 1.00 0.00 C ATOM 768 C ILE A 58 1.721 1.190 6.186 1.00 0.00 C ATOM 769 O ILE A 58 2.576 0.307 6.247 1.00 0.00 O ATOM 770 CB ILE A 58 2.232 2.754 8.063 1.00 0.00 C ATOM 771 CG1 ILE A 58 1.729 3.352 9.378 1.00 0.00 C ATOM 772 CG2 ILE A 58 2.599 3.856 7.080 1.00 0.00 C ATOM 773 CD1 ILE A 58 2.826 3.966 10.220 1.00 0.00 C ATOM 0 H ILE A 58 1.476 0.460 9.013 1.00 0.00 H new ATOM 0 HA ILE A 58 0.282 2.418 7.204 1.00 0.00 H new ATOM 0 HB ILE A 58 3.126 2.167 8.271 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.981 4.114 9.159 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.231 2.573 9.956 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.355 4.503 7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.993 3.412 6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.712 4.444 6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.398 4.370 11.137 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.563 3.203 10.470 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.308 4.768 9.661 1.00 0.00 H new ATOM 785 N ALA A 59 1.233 1.646 5.037 1.00 0.00 N ATOM 786 CA ALA A 59 1.686 1.124 3.753 1.00 0.00 C ATOM 787 C ALA A 59 3.049 1.697 3.378 1.00 0.00 C ATOM 788 O ALA A 59 3.354 2.850 3.682 1.00 0.00 O ATOM 789 CB ALA A 59 0.665 1.432 2.668 1.00 0.00 C ATOM 0 H ALA A 59 0.524 2.376 4.969 1.00 0.00 H new ATOM 0 HA ALA A 59 1.788 0.043 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.016 1.037 1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.288 0.969 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.534 2.511 2.587 1.00 0.00 H new ATOM 795 N CYS A 60 3.865 0.883 2.716 1.00 0.00 N ATOM 796 CA CYS A 60 5.196 1.308 2.300 1.00 0.00 C ATOM 797 C CYS A 60 5.112 2.334 1.173 1.00 0.00 C ATOM 798 O CYS A 60 4.195 2.298 0.353 1.00 0.00 O ATOM 799 CB CYS A 60 6.020 0.102 1.845 1.00 0.00 C ATOM 800 SG CYS A 60 7.672 0.528 1.208 1.00 0.00 S ATOM 0 H CYS A 60 3.628 -0.074 2.456 1.00 0.00 H new ATOM 0 HA CYS A 60 5.686 1.773 3.156 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.132 -0.585 2.684 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.469 -0.429 1.069 1.00 0.00 H new ATOM 0 HG CYS A 60 8.572 -0.173 1.832 1.00 0.00 H new ATOM 805 N PHE A 61 6.076 3.249 1.141 1.00 0.00 N ATOM 806 CA PHE A 61 6.111 4.286 0.116 1.00 0.00 C ATOM 807 C PHE A 61 6.576 3.715 -1.220 1.00 0.00 C ATOM 808 O PHE A 61 5.833 3.720 -2.202 1.00 0.00 O ATOM 809 CB PHE A 61 7.037 5.426 0.546 1.00 0.00 C ATOM 810 CG PHE A 61 7.361 6.385 -0.563 1.00 0.00 C ATOM 811 CD1 PHE A 61 8.411 6.132 -1.431 1.00 0.00 C ATOM 812 CD2 PHE A 61 6.616 7.540 -0.737 1.00 0.00 C ATOM 813 CE1 PHE A 61 8.712 7.014 -2.452 1.00 0.00 C ATOM 814 CE2 PHE A 61 6.912 8.426 -1.757 1.00 0.00 C ATOM 815 CZ PHE A 61 7.961 8.162 -2.616 1.00 0.00 C ATOM 0 H PHE A 61 6.843 3.293 1.812 1.00 0.00 H new ATOM 0 HA PHE A 61 5.100 4.674 -0.007 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.570 5.974 1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.964 5.004 0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.001 5.236 -1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.795 7.751 -0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.534 6.806 -3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.324 9.323 -1.882 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.194 8.851 -3.414 1.00 0.00 H new ATOM 825 N ASP A 62 7.810 3.224 -1.249 1.00 0.00 N ATOM 826 CA ASP A 62 8.375 2.648 -2.464 1.00 0.00 C ATOM 827 C ASP A 62 7.416 1.636 -3.083 1.00 0.00 C ATOM 828 O ASP A 62 7.146 1.676 -4.284 1.00 0.00 O ATOM 829 CB ASP A 62 9.716 1.978 -2.160 1.00 0.00 C ATOM 830 CG ASP A 62 10.719 2.939 -1.553 1.00 0.00 C ATOM 831 OD1 ASP A 62 11.437 3.612 -2.322 1.00 0.00 O ATOM 832 OD2 ASP A 62 10.786 3.019 -0.309 1.00 0.00 O ATOM 0 H ASP A 62 8.438 3.213 -0.445 1.00 0.00 H new ATOM 0 HA ASP A 62 8.534 3.455 -3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.556 1.145 -1.476 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.127 1.561 -3.079 1.00 0.00 H new ATOM 837 N SER A 63 6.905 0.730 -2.256 1.00 0.00 N ATOM 838 CA SER A 63 5.979 -0.295 -2.724 1.00 0.00 C ATOM 839 C SER A 63 4.930 0.304 -3.655 1.00 0.00 C ATOM 840 O SER A 63 4.504 -0.332 -4.620 1.00 0.00 O ATOM 841 CB SER A 63 5.295 -0.975 -1.536 1.00 0.00 C ATOM 842 OG SER A 63 4.345 -0.113 -0.933 1.00 0.00 O ATOM 0 H SER A 63 7.116 0.685 -1.259 1.00 0.00 H new ATOM 0 HA SER A 63 6.550 -1.039 -3.280 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.802 -1.888 -1.870 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.044 -1.268 -0.800 1.00 0.00 H new ATOM 0 HG SER A 63 4.767 0.748 -0.731 1.00 0.00 H new ATOM 848 N LEU A 64 4.517 1.531 -3.358 1.00 0.00 N ATOM 849 CA LEU A 64 3.516 2.218 -4.168 1.00 0.00 C ATOM 850 C LEU A 64 3.941 2.267 -5.632 1.00 0.00 C ATOM 851 O LEU A 64 3.138 2.020 -6.532 1.00 0.00 O ATOM 852 CB LEU A 64 3.293 3.637 -3.643 1.00 0.00 C ATOM 853 CG LEU A 64 2.836 3.750 -2.188 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.785 5.207 -1.756 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.478 3.089 -2.003 1.00 0.00 C ATOM 0 H LEU A 64 4.859 2.071 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 64 2.582 1.660 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.223 4.195 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.551 4.124 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 64 3.559 3.231 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.458 5.268 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.777 5.649 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.084 5.750 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.168 3.179 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.745 3.579 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.547 2.035 -2.271 1.00 0.00 H new ATOM 867 N LYS A 65 5.210 2.585 -5.865 1.00 0.00 N ATOM 868 CA LYS A 65 5.744 2.662 -7.219 1.00 0.00 C ATOM 869 C LYS A 65 5.810 1.279 -7.858 1.00 0.00 C ATOM 870 O LYS A 65 5.762 1.147 -9.081 1.00 0.00 O ATOM 871 CB LYS A 65 7.138 3.295 -7.204 1.00 0.00 C ATOM 872 CG LYS A 65 7.117 4.808 -7.072 1.00 0.00 C ATOM 873 CD LYS A 65 6.704 5.476 -8.372 1.00 0.00 C ATOM 874 CE LYS A 65 7.881 5.615 -9.326 1.00 0.00 C ATOM 875 NZ LYS A 65 8.918 6.543 -8.796 1.00 0.00 N ATOM 0 H LYS A 65 5.888 2.794 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 65 5.074 3.285 -7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.710 2.874 -6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.660 3.026 -8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.426 5.095 -6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.105 5.162 -6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.916 4.893 -8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.288 6.461 -8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.325 4.635 -9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.526 5.979 -10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.474 6.929 -9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.457 7.322 -8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.548 6.027 -8.149 1.00 0.00 H new ATOM 889 N GLY A 66 5.917 0.250 -7.023 1.00 0.00 N ATOM 890 CA GLY A 66 5.986 -1.109 -7.526 1.00 0.00 C ATOM 891 C GLY A 66 7.361 -1.723 -7.354 1.00 0.00 C ATOM 892 O GLY A 66 7.534 -2.931 -7.514 1.00 0.00 O ATOM 0 H GLY A 66 5.957 0.334 -6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.250 -1.723 -7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.718 -1.116 -8.583 1.00 0.00 H new ATOM 896 N ARG A 67 8.343 -0.888 -7.028 1.00 0.00 N ATOM 897 CA ARG A 67 9.711 -1.356 -6.837 1.00 0.00 C ATOM 898 C ARG A 67 10.284 -0.836 -5.522 1.00 0.00 C ATOM 899 O ARG A 67 10.625 0.342 -5.403 1.00 0.00 O ATOM 900 CB ARG A 67 10.593 -0.907 -8.003 1.00 0.00 C ATOM 901 CG ARG A 67 11.866 -1.723 -8.153 1.00 0.00 C ATOM 902 CD ARG A 67 12.843 -1.061 -9.112 1.00 0.00 C ATOM 903 NE ARG A 67 12.331 -1.030 -10.479 1.00 0.00 N ATOM 904 CZ ARG A 67 12.773 -0.191 -11.410 1.00 0.00 C ATOM 905 NH1 ARG A 67 13.730 0.680 -11.123 1.00 0.00 N ATOM 906 NH2 ARG A 67 12.257 -0.223 -12.633 1.00 0.00 N ATOM 0 H ARG A 67 8.217 0.115 -6.891 1.00 0.00 H new ATOM 0 HA ARG A 67 9.695 -2.445 -6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.019 -0.972 -8.927 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.858 0.141 -7.865 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.338 -1.845 -7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.619 -2.721 -8.515 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.046 -0.044 -8.778 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.791 -1.598 -9.092 1.00 0.00 H new ATOM 0 HE ARG A 67 11.594 -1.688 -10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.130 0.708 -10.185 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.067 1.322 -11.840 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.521 -0.892 -12.859 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.597 0.421 -13.347 1.00 0.00 H new ATOM 920 N CYS A 68 10.387 -1.721 -4.536 1.00 0.00 N ATOM 921 CA CYS A 68 10.918 -1.353 -3.229 1.00 0.00 C ATOM 922 C CYS A 68 12.377 -1.780 -3.095 1.00 0.00 C ATOM 923 O CYS A 68 12.809 -2.753 -3.712 1.00 0.00 O ATOM 924 CB CYS A 68 10.083 -1.992 -2.118 1.00 0.00 C ATOM 925 SG CYS A 68 10.645 -1.580 -0.435 1.00 0.00 S ATOM 0 H CYS A 68 10.109 -2.699 -4.618 1.00 0.00 H new ATOM 0 HA CYS A 68 10.866 -0.268 -3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.046 -1.677 -2.231 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.102 -3.075 -2.241 1.00 0.00 H new ATOM 0 HG CYS A 68 9.737 -0.868 0.164 1.00 0.00 H new ATOM 930 N SER A 69 13.130 -1.045 -2.283 1.00 0.00 N ATOM 931 CA SER A 69 14.541 -1.345 -2.069 1.00 0.00 C ATOM 932 C SER A 69 14.804 -1.712 -0.612 1.00 0.00 C ATOM 933 O SER A 69 15.455 -2.715 -0.321 1.00 0.00 O ATOM 934 CB SER A 69 15.405 -0.147 -2.469 1.00 0.00 C ATOM 935 OG SER A 69 16.705 -0.561 -2.850 1.00 0.00 O ATOM 0 H SER A 69 12.787 -0.238 -1.763 1.00 0.00 H new ATOM 0 HA SER A 69 14.804 -2.199 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 69 14.933 0.386 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.472 0.552 -1.635 1.00 0.00 H new ATOM 0 HG SER A 69 17.237 0.222 -3.103 1.00 0.00 H new ATOM 941 N ARG A 70 14.292 -0.892 0.300 1.00 0.00 N ATOM 942 CA ARG A 70 14.472 -1.129 1.727 1.00 0.00 C ATOM 943 C ARG A 70 14.466 -2.623 2.036 1.00 0.00 C ATOM 944 O ARG A 70 13.449 -3.296 1.871 1.00 0.00 O ATOM 945 CB ARG A 70 13.370 -0.429 2.525 1.00 0.00 C ATOM 946 CG ARG A 70 13.465 1.088 2.494 1.00 0.00 C ATOM 947 CD ARG A 70 12.283 1.735 3.198 1.00 0.00 C ATOM 948 NE ARG A 70 12.486 1.821 4.642 1.00 0.00 N ATOM 949 CZ ARG A 70 11.855 2.692 5.422 1.00 0.00 C ATOM 950 NH1 ARG A 70 10.987 3.547 4.900 1.00 0.00 N ATOM 951 NH2 ARG A 70 12.093 2.708 6.727 1.00 0.00 N ATOM 0 H ARG A 70 13.749 -0.058 0.076 1.00 0.00 H new ATOM 0 HA ARG A 70 15.439 -0.719 2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.400 -0.732 2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.413 -0.766 3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.392 1.405 2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.506 1.430 1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.124 2.735 2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.380 1.160 2.992 1.00 0.00 H new ATOM 0 HE ARG A 70 13.148 1.177 5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.802 3.537 3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.504 4.215 5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.761 2.052 7.132 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.608 3.377 7.326 1.00 0.00 H new ATOM 965 N GLU A 71 15.609 -3.135 2.483 1.00 0.00 N ATOM 966 CA GLU A 71 15.735 -4.549 2.812 1.00 0.00 C ATOM 967 C GLU A 71 14.751 -4.942 3.911 1.00 0.00 C ATOM 968 O GLU A 71 13.802 -5.688 3.672 1.00 0.00 O ATOM 969 CB GLU A 71 17.164 -4.868 3.255 1.00 0.00 C ATOM 970 CG GLU A 71 18.146 -4.988 2.102 1.00 0.00 C ATOM 971 CD GLU A 71 18.176 -3.748 1.229 1.00 0.00 C ATOM 972 OE1 GLU A 71 18.622 -2.689 1.719 1.00 0.00 O ATOM 973 OE2 GLU A 71 17.753 -3.836 0.058 1.00 0.00 O ATOM 0 H GLU A 71 16.460 -2.591 2.625 1.00 0.00 H new ATOM 0 HA GLU A 71 15.503 -5.125 1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.508 -4.088 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.161 -5.802 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 71 19.145 -5.173 2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 71 17.880 -5.851 1.492 1.00 0.00 H new ATOM 980 N ASN A 72 14.986 -4.434 5.116 1.00 0.00 N ATOM 981 CA ASN A 72 14.121 -4.732 6.253 1.00 0.00 C ATOM 982 C ASN A 72 12.937 -3.772 6.302 1.00 0.00 C ATOM 983 O ASN A 72 12.504 -3.356 7.377 1.00 0.00 O ATOM 984 CB ASN A 72 14.914 -4.648 7.559 1.00 0.00 C ATOM 985 CG ASN A 72 15.852 -5.826 7.742 1.00 0.00 C ATOM 986 OD1 ASN A 72 15.440 -6.898 8.186 1.00 0.00 O ATOM 987 ND2 ASN A 72 17.120 -5.631 7.401 1.00 0.00 N ATOM 0 H ASN A 72 15.767 -3.815 5.331 1.00 0.00 H new ATOM 0 HA ASN A 72 13.739 -5.746 6.131 1.00 0.00 H new ATOM 0 HB2 ASN A 72 15.490 -3.723 7.572 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.221 -4.604 8.399 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.797 -6.387 7.503 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.417 -4.726 7.037 1.00 0.00 H new ATOM 994 N CYS A 73 12.415 -3.424 5.130 1.00 0.00 N ATOM 995 CA CYS A 73 11.281 -2.513 5.038 1.00 0.00 C ATOM 996 C CYS A 73 10.253 -2.813 6.125 1.00 0.00 C ATOM 997 O CYS A 73 9.577 -3.841 6.090 1.00 0.00 O ATOM 998 CB CYS A 73 10.626 -2.619 3.659 1.00 0.00 C ATOM 999 SG CYS A 73 9.425 -1.296 3.302 1.00 0.00 S ATOM 0 H CYS A 73 12.760 -3.760 4.231 1.00 0.00 H new ATOM 0 HA CYS A 73 11.650 -1.497 5.181 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.405 -2.603 2.897 1.00 0.00 H new ATOM 0 HB3 CYS A 73 10.123 -3.583 3.581 1.00 0.00 H new ATOM 0 HG CYS A 73 8.224 -1.793 3.288 1.00 0.00 H new ATOM 1004 N LYS A 74 10.140 -1.906 7.090 1.00 0.00 N ATOM 1005 CA LYS A 74 9.194 -2.071 8.188 1.00 0.00 C ATOM 1006 C LYS A 74 7.805 -1.583 7.787 1.00 0.00 C ATOM 1007 O LYS A 74 7.064 -1.046 8.610 1.00 0.00 O ATOM 1008 CB LYS A 74 9.677 -1.308 9.423 1.00 0.00 C ATOM 1009 CG LYS A 74 9.845 0.184 9.190 1.00 0.00 C ATOM 1010 CD LYS A 74 10.911 0.774 10.098 1.00 0.00 C ATOM 1011 CE LYS A 74 12.302 0.603 9.509 1.00 0.00 C ATOM 1012 NZ LYS A 74 12.859 -0.750 9.783 1.00 0.00 N ATOM 0 H LYS A 74 10.692 -1.049 7.134 1.00 0.00 H new ATOM 0 HA LYS A 74 9.133 -3.133 8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.967 -1.463 10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.630 -1.726 9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.113 0.363 8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.896 0.690 9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.710 1.833 10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.866 0.292 11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.263 0.768 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.967 1.360 9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.895 -0.692 9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.476 -1.108 10.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.595 -1.397 9.012 1.00 0.00 H new ATOM 1026 N TYR A 75 7.459 -1.775 6.519 1.00 0.00 N ATOM 1027 CA TYR A 75 6.160 -1.354 6.009 1.00 0.00 C ATOM 1028 C TYR A 75 5.563 -2.417 5.092 1.00 0.00 C ATOM 1029 O TYR A 75 6.280 -3.080 4.341 1.00 0.00 O ATOM 1030 CB TYR A 75 6.289 -0.029 5.255 1.00 0.00 C ATOM 1031 CG TYR A 75 6.761 1.117 6.121 1.00 0.00 C ATOM 1032 CD1 TYR A 75 8.117 1.360 6.307 1.00 0.00 C ATOM 1033 CD2 TYR A 75 5.852 1.955 6.754 1.00 0.00 C ATOM 1034 CE1 TYR A 75 8.553 2.406 7.097 1.00 0.00 C ATOM 1035 CE2 TYR A 75 6.279 3.004 7.546 1.00 0.00 C ATOM 1036 CZ TYR A 75 7.630 3.225 7.714 1.00 0.00 C ATOM 1037 OH TYR A 75 8.060 4.268 8.503 1.00 0.00 O ATOM 0 H TYR A 75 8.060 -2.220 5.825 1.00 0.00 H new ATOM 0 HA TYR A 75 5.492 -1.217 6.860 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.986 -0.158 4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.323 0.228 4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.842 0.720 5.826 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.793 1.784 6.625 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.610 2.582 7.231 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.559 3.647 8.031 1.00 0.00 H new ATOM 0 HH TYR A 75 7.285 4.748 8.862 1.00 0.00 H new ATOM 1047 N LEU A 76 4.246 -2.575 5.159 1.00 0.00 N ATOM 1048 CA LEU A 76 3.550 -3.557 4.335 1.00 0.00 C ATOM 1049 C LEU A 76 3.251 -2.992 2.950 1.00 0.00 C ATOM 1050 O LEU A 76 3.065 -1.786 2.787 1.00 0.00 O ATOM 1051 CB LEU A 76 2.250 -3.992 5.013 1.00 0.00 C ATOM 1052 CG LEU A 76 1.198 -4.628 4.103 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.543 -6.083 3.825 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.185 -4.515 4.727 1.00 0.00 C ATOM 0 H LEU A 76 3.638 -2.036 5.776 1.00 0.00 H new ATOM 0 HA LEU A 76 4.200 -4.424 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.496 -4.702 5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.806 -3.121 5.495 1.00 0.00 H new ATOM 0 HG LEU A 76 1.191 -4.090 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.784 -6.519 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.515 -6.139 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.578 -6.635 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.921 -4.973 4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.193 -5.027 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.433 -3.464 4.874 1.00 0.00 H new ATOM 1066 N HIS A 77 3.203 -3.873 1.955 1.00 0.00 N ATOM 1067 CA HIS A 77 2.923 -3.462 0.584 1.00 0.00 C ATOM 1068 C HIS A 77 1.497 -3.831 0.187 1.00 0.00 C ATOM 1069 O HIS A 77 1.206 -4.967 -0.189 1.00 0.00 O ATOM 1070 CB HIS A 77 3.917 -4.112 -0.379 1.00 0.00 C ATOM 1071 CG HIS A 77 5.348 -3.812 -0.054 1.00 0.00 C ATOM 1072 ND1 HIS A 77 5.921 -3.354 1.084 1.00 0.00 N flip ATOM 1073 CD2 HIS A 77 6.376 -3.975 -0.960 1.00 0.00 C flip ATOM 1074 CE1 HIS A 77 7.270 -3.252 0.848 1.00 0.00 C flip ATOM 1075 NE2 HIS A 77 7.518 -3.633 -0.392 1.00 0.00 N flip ATOM 0 H HIS A 77 3.354 -4.875 2.073 1.00 0.00 H new ATOM 0 HA HIS A 77 3.029 -2.379 0.527 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.769 -5.192 -0.367 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.704 -3.772 -1.392 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.264 -4.327 -1.975 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.008 -2.915 1.561 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.436 -3.659 -0.836 1.00 0.00 H new ATOM 1083 N PRO A 78 0.586 -2.850 0.271 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.825 -3.049 -0.075 1.00 0.00 C ATOM 1085 C PRO A 78 -1.032 -3.246 -1.573 1.00 0.00 C ATOM 1086 O PRO A 78 -0.279 -2.733 -2.401 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.490 -1.751 0.390 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.401 -0.735 0.361 1.00 0.00 C ATOM 1089 CD PRO A 78 0.862 -1.473 0.710 1.00 0.00 C ATOM 0 HA PRO A 78 -1.236 -3.945 0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.312 -1.469 -0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.906 -1.856 1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.324 -0.273 -0.623 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.595 0.066 1.074 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.727 -1.054 0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.072 -1.427 1.779 1.00 0.00 H new ATOM 1097 N PRO A 79 -2.078 -4.005 -1.932 1.00 0.00 N ATOM 1098 CA PRO A 79 -2.409 -4.286 -3.332 1.00 0.00 C ATOM 1099 C PRO A 79 -2.928 -3.054 -4.064 1.00 0.00 C ATOM 1100 O PRO A 79 -3.167 -2.011 -3.453 1.00 0.00 O ATOM 1101 CB PRO A 79 -3.505 -5.350 -3.231 1.00 0.00 C ATOM 1102 CG PRO A 79 -4.126 -5.128 -1.894 1.00 0.00 C ATOM 1103 CD PRO A 79 -3.018 -4.648 -0.998 1.00 0.00 C ATOM 0 HA PRO A 79 -1.536 -4.607 -3.900 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.237 -5.241 -4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.090 -6.355 -3.313 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.927 -4.391 -1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.567 -6.048 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.383 -3.946 -0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.550 -5.473 -0.461 1.00 0.00 H new ATOM 1111 N THR A 80 -3.102 -3.179 -5.376 1.00 0.00 N ATOM 1112 CA THR A 80 -3.592 -2.075 -6.191 1.00 0.00 C ATOM 1113 C THR A 80 -5.019 -1.699 -5.806 1.00 0.00 C ATOM 1114 O THR A 80 -5.300 -0.547 -5.476 1.00 0.00 O ATOM 1115 CB THR A 80 -3.552 -2.423 -7.691 1.00 0.00 C ATOM 1116 OG1 THR A 80 -2.352 -3.143 -7.994 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.620 -1.162 -8.540 1.00 0.00 C ATOM 0 H THR A 80 -2.911 -4.035 -5.897 1.00 0.00 H new ATOM 0 HA THR A 80 -2.933 -1.227 -6.005 1.00 0.00 H new ATOM 0 HB THR A 80 -4.417 -3.045 -7.921 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.334 -3.362 -8.949 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.590 -1.432 -9.596 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.547 -0.630 -8.328 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.771 -0.520 -8.306 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.916 -2.679 -5.850 1.00 0.00 N ATOM 1126 CA HIS A 81 -7.315 -2.451 -5.505 1.00 0.00 C ATOM 1127 C HIS A 81 -7.432 -1.680 -4.193 1.00 0.00 C ATOM 1128 O HIS A 81 -8.464 -1.072 -3.909 1.00 0.00 O ATOM 1129 CB HIS A 81 -8.059 -3.782 -5.396 1.00 0.00 C ATOM 1130 CG HIS A 81 -7.555 -4.661 -4.293 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -7.977 -4.808 -3.015 1.00 0.00 N flip ATOM 1132 CD2 HIS A 81 -6.489 -5.522 -4.445 1.00 0.00 C flip ATOM 1133 CE1 HIS A 81 -7.167 -5.746 -2.425 1.00 0.00 C flip ATOM 1134 NE2 HIS A 81 -6.278 -6.162 -3.308 1.00 0.00 N flip ATOM 0 H HIS A 81 -5.699 -3.638 -6.121 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.767 -1.855 -6.298 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.119 -3.584 -5.236 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.973 -4.315 -6.343 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -8.752 -4.314 -2.573 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -5.916 -5.653 -5.351 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -7.244 -6.088 -1.404 1.00 0.00 H new ATOM 1142 N LEU A 82 -6.368 -1.710 -3.398 1.00 0.00 N ATOM 1143 CA LEU A 82 -6.351 -1.015 -2.116 1.00 0.00 C ATOM 1144 C LEU A 82 -5.677 0.347 -2.244 1.00 0.00 C ATOM 1145 O LEU A 82 -6.275 1.379 -1.938 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.627 -1.859 -1.065 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.442 -2.987 -0.432 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.634 -3.688 0.649 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.745 -2.447 0.140 1.00 0.00 C ATOM 0 H LEU A 82 -5.506 -2.208 -3.619 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.383 -0.861 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.739 -2.293 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.283 -1.197 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.682 -3.715 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.230 -4.488 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.729 -4.109 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.363 -2.971 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.312 -3.264 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.526 -1.699 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.332 -1.992 -0.658 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.429 0.343 -2.699 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.673 1.578 -2.871 1.00 0.00 C ATOM 1163 C LYS A 83 -4.590 2.723 -3.288 1.00 0.00 C ATOM 1164 O LYS A 83 -4.372 3.876 -2.913 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.573 1.385 -3.917 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.302 0.769 -3.357 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.175 0.791 -4.376 1.00 0.00 C ATOM 1168 CE LYS A 83 -0.152 -0.481 -5.209 1.00 0.00 C ATOM 1169 NZ LYS A 83 0.973 -0.485 -6.185 1.00 0.00 N ATOM 0 H LYS A 83 -3.919 -0.502 -2.956 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.216 1.831 -1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.952 0.750 -4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.333 2.351 -4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.996 1.313 -2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.498 -0.259 -3.053 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.292 1.654 -5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.779 0.908 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.064 -1.345 -4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.097 -0.582 -5.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.598 -0.609 -7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.486 0.418 -6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.622 -1.267 -5.963 1.00 0.00 H new ATOM 1183 N THR A 84 -5.618 2.399 -4.066 1.00 0.00 N ATOM 1184 CA THR A 84 -6.568 3.401 -4.533 1.00 0.00 C ATOM 1185 C THR A 84 -7.124 4.216 -3.371 1.00 0.00 C ATOM 1186 O THR A 84 -7.013 5.441 -3.353 1.00 0.00 O ATOM 1187 CB THR A 84 -7.738 2.752 -5.297 1.00 0.00 C ATOM 1188 OG1 THR A 84 -7.235 1.915 -6.345 1.00 0.00 O ATOM 1189 CG2 THR A 84 -8.656 3.813 -5.884 1.00 0.00 C ATOM 0 H THR A 84 -5.814 1.450 -4.386 1.00 0.00 H new ATOM 0 HA THR A 84 -6.024 4.062 -5.208 1.00 0.00 H new ATOM 0 HB THR A 84 -8.311 2.148 -4.594 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.985 1.505 -6.825 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.474 3.331 -6.419 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.060 4.429 -5.081 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.092 4.441 -6.574 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.722 3.527 -2.404 1.00 0.00 N ATOM 1198 CA GLN A 85 -8.295 4.189 -1.238 1.00 0.00 C ATOM 1199 C GLN A 85 -7.334 5.231 -0.676 1.00 0.00 C ATOM 1200 O GLN A 85 -7.756 6.266 -0.160 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.640 3.161 -0.160 1.00 0.00 C ATOM 1202 CG GLN A 85 -7.530 2.951 0.857 1.00 0.00 C ATOM 1203 CD GLN A 85 -7.667 1.641 1.609 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -7.329 0.576 1.091 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -8.164 1.714 2.838 1.00 0.00 N ATOM 0 H GLN A 85 -7.822 2.512 -2.405 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.208 4.696 -1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.543 3.481 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.869 2.208 -0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.567 2.974 0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.534 3.776 1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.431 2.618 3.227 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.279 0.866 3.393 1.00 0.00 H new ATOM 1214 N LEU A 86 -6.039 4.950 -0.778 1.00 0.00 N ATOM 1215 CA LEU A 86 -5.017 5.862 -0.279 1.00 0.00 C ATOM 1216 C LEU A 86 -4.759 6.989 -1.275 1.00 0.00 C ATOM 1217 O LEU A 86 -4.655 8.154 -0.895 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.718 5.103 -0.004 1.00 0.00 C ATOM 1219 CG LEU A 86 -3.801 3.986 1.036 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -2.632 3.025 0.883 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -3.835 4.568 2.442 1.00 0.00 C ATOM 0 H LEU A 86 -5.673 4.098 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.379 6.299 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.366 4.673 -0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.964 5.820 0.321 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.724 3.431 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.708 2.237 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.653 2.582 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.696 3.566 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.894 3.758 3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.929 5.148 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.706 5.215 2.547 1.00 0.00 H new