USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=20 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 74 LYS NZ :NH3+ 150:sc= 1.22 (180deg=0.298) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0.986 USER MOD Set 2.1: A 60 CYS SG : rot 119:sc= 0.846 USER MOD Set 2.2: A 68 CYS SG : rot 107:sc= -0.348 USER MOD Set 2.3: A 73 CYS SG : rot -90:sc= 0.712 USER MOD Set 2.4: A 77 HIS : no HD1:sc= -5.52! C(o=-4.3!,f=-4.3!) USER MOD Set 3.1: A 26 CYS SG : rot 139:sc= 0.519 USER MOD Set 3.2: A 34 CYS SG : rot 128:sc= 0.0384 USER MOD Set 3.3: A 41 CYS SG : rot 100:sc= 0.21 USER MOD Set 3.4: A 45 HIS : no HD1:sc= -1.82 K(o=-1.1,f=0.3) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.86 K(o=0.86,f=-6.8!) USER MOD Single : A 30 GLN : amide:sc= -0.845 K(o=-0.84,f=-3!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00752 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -17:sc= -2.37! USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 54 ASN : amide:sc= -1.04 X(o=-1,f=-0.96) USER MOD Single : A 63 SER OG : rot 120:sc= -0.64 USER MOD Single : A 65 LYS NZ :NH3+ 155:sc= -0.32 (180deg=-1.16) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc=-0.00724 X(o=-0.0072,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -12.1! C(o=-12!,f=-10!) USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= -1.85! (180deg=-2.24!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.722 K(o=-0.72,f=-0.095) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -1.307 7.537 4.606 1.00 0.00 N ATOM 193 CA LEU A 21 -0.662 6.333 4.093 1.00 0.00 C ATOM 194 C LEU A 21 -0.868 5.157 5.042 1.00 0.00 C ATOM 195 O LEU A 21 0.045 4.364 5.275 1.00 0.00 O ATOM 196 CB LEU A 21 0.834 6.581 3.888 1.00 0.00 C ATOM 197 CG LEU A 21 1.213 7.437 2.679 1.00 0.00 C ATOM 198 CD1 LEU A 21 2.647 7.927 2.800 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.023 6.651 1.389 1.00 0.00 C ATOM 0 HA LEU A 21 -1.119 6.086 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.229 7.059 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.333 5.616 3.795 1.00 0.00 H new ATOM 0 HG LEU A 21 0.555 8.306 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.899 8.534 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.751 8.527 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.321 7.072 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.297 7.275 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.656 5.764 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.021 6.350 1.297 1.00 0.00 H new ATOM 211 N THR A 22 -2.076 5.048 5.587 1.00 0.00 N ATOM 212 CA THR A 22 -2.404 3.969 6.509 1.00 0.00 C ATOM 213 C THR A 22 -3.528 3.098 5.960 1.00 0.00 C ATOM 214 O THR A 22 -4.358 3.560 5.175 1.00 0.00 O ATOM 215 CB THR A 22 -2.820 4.515 7.888 1.00 0.00 C ATOM 216 OG1 THR A 22 -3.749 5.593 7.728 1.00 0.00 O ATOM 217 CG2 THR A 22 -1.606 4.997 8.668 1.00 0.00 C ATOM 0 H THR A 22 -2.843 5.695 5.405 1.00 0.00 H new ATOM 0 HA THR A 22 -1.503 3.366 6.622 1.00 0.00 H new ATOM 0 HB THR A 22 -3.294 3.707 8.446 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.010 5.933 8.609 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.925 5.378 9.638 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.914 4.167 8.813 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.108 5.791 8.112 1.00 0.00 H new ATOM 225 N LEU A 23 -3.551 1.837 6.377 1.00 0.00 N ATOM 226 CA LEU A 23 -4.575 0.901 5.926 1.00 0.00 C ATOM 227 C LEU A 23 -5.107 0.073 7.092 1.00 0.00 C ATOM 228 O LEU A 23 -4.369 -0.252 8.022 1.00 0.00 O ATOM 229 CB LEU A 23 -4.010 -0.023 4.846 1.00 0.00 C ATOM 230 CG LEU A 23 -3.847 0.591 3.455 1.00 0.00 C ATOM 231 CD1 LEU A 23 -3.006 -0.313 2.568 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.207 0.847 2.823 1.00 0.00 C ATOM 0 H LEU A 23 -2.873 1.439 7.026 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.400 1.477 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.037 -0.384 5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.662 -0.893 4.763 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.331 1.546 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.901 0.140 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.020 -0.445 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.493 -1.283 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.072 1.284 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.749 -0.094 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.775 1.535 3.449 1.00 0.00 H new ATOM 244 N GLU A 24 -6.391 -0.265 7.034 1.00 0.00 N ATOM 245 CA GLU A 24 -7.020 -1.057 8.085 1.00 0.00 C ATOM 246 C GLU A 24 -6.610 -2.523 7.982 1.00 0.00 C ATOM 247 O GLU A 24 -6.883 -3.187 6.982 1.00 0.00 O ATOM 248 CB GLU A 24 -8.543 -0.935 8.003 1.00 0.00 C ATOM 249 CG GLU A 24 -9.250 -1.256 9.309 1.00 0.00 C ATOM 250 CD GLU A 24 -10.754 -1.367 9.146 1.00 0.00 C ATOM 251 OE1 GLU A 24 -11.205 -2.268 8.408 1.00 0.00 O ATOM 252 OE2 GLU A 24 -11.479 -0.553 9.755 1.00 0.00 O ATOM 0 H GLU A 24 -7.016 -0.003 6.271 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.682 -0.671 9.047 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.802 0.079 7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.911 -1.605 7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.861 -2.193 9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.024 -0.480 10.041 1.00 0.00 H new ATOM 259 N VAL A 25 -5.951 -3.021 9.023 1.00 0.00 N ATOM 260 CA VAL A 25 -5.502 -4.408 9.051 1.00 0.00 C ATOM 261 C VAL A 25 -6.687 -5.368 9.067 1.00 0.00 C ATOM 262 O VAL A 25 -7.691 -5.122 9.736 1.00 0.00 O ATOM 263 CB VAL A 25 -4.613 -4.686 10.278 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.168 -6.140 10.296 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.413 -3.752 10.288 1.00 0.00 C ATOM 0 H VAL A 25 -5.716 -2.485 9.858 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.918 -4.570 8.145 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.197 -4.499 11.179 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.541 -6.318 11.170 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.043 -6.788 10.340 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.600 -6.358 9.391 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.796 -3.962 11.161 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.825 -3.905 9.383 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.757 -2.718 10.327 1.00 0.00 H new ATOM 275 N CYS A 26 -6.563 -6.465 8.327 1.00 0.00 N ATOM 276 CA CYS A 26 -7.622 -7.464 8.255 1.00 0.00 C ATOM 277 C CYS A 26 -7.789 -8.177 9.594 1.00 0.00 C ATOM 278 O CYS A 26 -6.947 -8.983 9.989 1.00 0.00 O ATOM 279 CB CYS A 26 -7.317 -8.484 7.157 1.00 0.00 C ATOM 280 SG CYS A 26 -8.533 -9.835 7.037 1.00 0.00 S ATOM 0 H CYS A 26 -5.738 -6.684 7.768 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.554 -6.952 8.017 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.269 -7.967 6.199 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.331 -8.912 7.338 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.778 -10.089 5.786 1.00 0.00 H new ATOM 285 N ARG A 27 -8.882 -7.873 10.287 1.00 0.00 N ATOM 286 CA ARG A 27 -9.159 -8.484 11.582 1.00 0.00 C ATOM 287 C ARG A 27 -8.770 -9.960 11.582 1.00 0.00 C ATOM 288 O ARG A 27 -7.914 -10.385 12.356 1.00 0.00 O ATOM 289 CB ARG A 27 -10.641 -8.336 11.933 1.00 0.00 C ATOM 290 CG ARG A 27 -10.947 -7.108 12.774 1.00 0.00 C ATOM 291 CD ARG A 27 -11.293 -5.909 11.905 1.00 0.00 C ATOM 292 NE ARG A 27 -11.089 -4.645 12.609 1.00 0.00 N ATOM 293 CZ ARG A 27 -11.712 -3.517 12.288 1.00 0.00 C ATOM 294 NH1 ARG A 27 -12.573 -3.494 11.280 1.00 0.00 N ATOM 295 NH2 ARG A 27 -11.474 -2.408 12.976 1.00 0.00 N ATOM 0 H ARG A 27 -9.589 -7.208 9.974 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.561 -7.969 12.334 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.221 -8.289 11.011 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -10.969 -9.225 12.471 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.778 -7.324 13.446 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.086 -6.870 13.398 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.680 -5.925 11.004 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.332 -5.982 11.584 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.432 -4.628 13.389 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.759 -4.344 10.748 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.050 -2.626 11.036 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.812 -2.421 13.752 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.953 -1.542 12.729 1.00 0.00 H new ATOM 309 N GLN A 28 -9.407 -10.733 10.708 1.00 0.00 N ATOM 310 CA GLN A 28 -9.128 -12.161 10.608 1.00 0.00 C ATOM 311 C GLN A 28 -7.629 -12.417 10.496 1.00 0.00 C ATOM 312 O GLN A 28 -7.048 -13.133 11.312 1.00 0.00 O ATOM 313 CB GLN A 28 -9.851 -12.760 9.401 1.00 0.00 C ATOM 314 CG GLN A 28 -11.320 -13.055 9.656 1.00 0.00 C ATOM 315 CD GLN A 28 -12.213 -11.863 9.369 1.00 0.00 C ATOM 316 OE1 GLN A 28 -11.760 -10.719 9.373 1.00 0.00 O ATOM 317 NE2 GLN A 28 -13.490 -12.127 9.118 1.00 0.00 N ATOM 0 H GLN A 28 -10.119 -10.395 10.060 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.493 -12.641 11.516 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.768 -12.072 8.560 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.349 -13.682 9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.631 -13.895 9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.451 -13.360 10.694 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.822 -13.091 9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.138 -11.365 8.918 1.00 0.00 H new ATOM 326 N PHE A 29 -7.007 -11.827 9.480 1.00 0.00 N ATOM 327 CA PHE A 29 -5.575 -11.992 9.261 1.00 0.00 C ATOM 328 C PHE A 29 -4.821 -12.019 10.587 1.00 0.00 C ATOM 329 O PHE A 29 -4.068 -12.952 10.864 1.00 0.00 O ATOM 330 CB PHE A 29 -5.039 -10.861 8.380 1.00 0.00 C ATOM 331 CG PHE A 29 -3.540 -10.825 8.297 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.833 -11.910 7.806 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.838 -9.704 8.711 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.454 -11.879 7.730 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.458 -9.667 8.637 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.765 -10.756 8.145 1.00 0.00 C ATOM 0 H PHE A 29 -7.472 -11.231 8.796 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.418 -12.944 8.755 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.448 -10.969 7.375 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.396 -9.908 8.769 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.366 -12.791 7.479 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.375 -8.850 9.096 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.915 -12.732 7.346 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.922 -8.788 8.963 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.313 -10.729 8.085 1.00 0.00 H new ATOM 346 N GLN A 30 -5.029 -10.989 11.401 1.00 0.00 N ATOM 347 CA GLN A 30 -4.368 -10.895 12.697 1.00 0.00 C ATOM 348 C GLN A 30 -4.504 -12.200 13.473 1.00 0.00 C ATOM 349 O GLN A 30 -3.506 -12.817 13.848 1.00 0.00 O ATOM 350 CB GLN A 30 -4.957 -9.741 13.510 1.00 0.00 C ATOM 351 CG GLN A 30 -4.396 -8.380 13.129 1.00 0.00 C ATOM 352 CD GLN A 30 -2.929 -8.234 13.482 1.00 0.00 C ATOM 353 OE1 GLN A 30 -2.066 -8.868 12.874 1.00 0.00 O ATOM 354 NE2 GLN A 30 -2.638 -7.395 14.469 1.00 0.00 N ATOM 0 H GLN A 30 -5.650 -10.209 11.186 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.309 -10.705 12.524 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.039 -9.729 13.377 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.768 -9.919 14.569 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.525 -8.225 12.058 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.967 -7.601 13.635 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.385 -6.890 14.946 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.668 -7.256 14.750 1.00 0.00 H new ATOM 363 N ARG A 31 -5.743 -12.615 13.712 1.00 0.00 N ATOM 364 CA ARG A 31 -6.009 -13.847 14.446 1.00 0.00 C ATOM 365 C ARG A 31 -5.455 -15.056 13.697 1.00 0.00 C ATOM 366 O ARG A 31 -5.098 -16.065 14.304 1.00 0.00 O ATOM 367 CB ARG A 31 -7.512 -14.018 14.671 1.00 0.00 C ATOM 368 CG ARG A 31 -8.079 -13.087 15.730 1.00 0.00 C ATOM 369 CD ARG A 31 -7.975 -11.631 15.306 1.00 0.00 C ATOM 370 NE ARG A 31 -8.808 -10.760 16.130 1.00 0.00 N ATOM 371 CZ ARG A 31 -8.675 -9.439 16.171 1.00 0.00 C ATOM 372 NH1 ARG A 31 -7.746 -8.840 15.438 1.00 0.00 N ATOM 373 NH2 ARG A 31 -9.472 -8.714 16.946 1.00 0.00 N ATOM 0 H ARG A 31 -6.579 -12.116 13.408 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.510 -13.779 15.413 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.034 -13.845 13.730 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.712 -15.049 14.961 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.123 -13.339 15.916 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.544 -13.233 16.668 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.936 -11.308 15.372 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.273 -11.535 14.262 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.532 -11.190 16.706 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.132 -9.394 14.841 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.646 -7.825 15.471 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.188 -9.171 17.511 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.369 -7.700 16.977 1.00 0.00 H new ATOM 387 N GLY A 32 -5.387 -14.946 12.374 1.00 0.00 N ATOM 388 CA GLY A 32 -4.877 -16.037 11.564 1.00 0.00 C ATOM 389 C GLY A 32 -5.983 -16.890 10.978 1.00 0.00 C ATOM 390 O GLY A 32 -5.757 -18.040 10.597 1.00 0.00 O ATOM 0 H GLY A 32 -5.676 -14.121 11.849 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.268 -15.632 10.756 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.224 -16.662 12.172 1.00 0.00 H new ATOM 394 N THR A 33 -7.187 -16.329 10.905 1.00 0.00 N ATOM 395 CA THR A 33 -8.333 -17.047 10.364 1.00 0.00 C ATOM 396 C THR A 33 -8.706 -16.525 8.981 1.00 0.00 C ATOM 397 O THR A 33 -9.868 -16.584 8.576 1.00 0.00 O ATOM 398 CB THR A 33 -9.558 -16.931 11.291 1.00 0.00 C ATOM 399 OG1 THR A 33 -10.068 -15.593 11.264 1.00 0.00 O ATOM 400 CG2 THR A 33 -9.194 -17.312 12.718 1.00 0.00 C ATOM 0 H THR A 33 -7.392 -15.379 11.214 1.00 0.00 H new ATOM 0 HA THR A 33 -8.042 -18.095 10.288 1.00 0.00 H new ATOM 0 HB THR A 33 -10.324 -17.618 10.932 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.847 -15.528 11.854 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.074 -17.223 13.354 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.834 -18.341 12.739 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.412 -16.646 13.084 1.00 0.00 H new ATOM 408 N CYS A 34 -7.714 -16.015 8.259 1.00 0.00 N ATOM 409 CA CYS A 34 -7.937 -15.482 6.920 1.00 0.00 C ATOM 410 C CYS A 34 -7.145 -16.271 5.882 1.00 0.00 C ATOM 411 O CYS A 34 -5.923 -16.147 5.793 1.00 0.00 O ATOM 412 CB CYS A 34 -7.544 -14.005 6.864 1.00 0.00 C ATOM 413 SG CYS A 34 -7.633 -13.274 5.198 1.00 0.00 S ATOM 0 H CYS A 34 -6.747 -15.959 8.579 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.998 -15.577 6.690 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.196 -13.441 7.532 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.528 -13.896 7.243 1.00 0.00 H new ATOM 0 HG CYS A 34 -8.352 -12.192 5.237 1.00 0.00 H new ATOM 418 N SER A 35 -7.849 -17.082 5.099 1.00 0.00 N ATOM 419 CA SER A 35 -7.211 -17.894 4.069 1.00 0.00 C ATOM 420 C SER A 35 -7.397 -17.267 2.690 1.00 0.00 C ATOM 421 O SER A 35 -7.467 -17.969 1.681 1.00 0.00 O ATOM 422 CB SER A 35 -7.786 -19.312 4.079 1.00 0.00 C ATOM 423 OG SER A 35 -6.847 -20.246 3.573 1.00 0.00 O ATOM 0 H SER A 35 -8.861 -17.194 5.158 1.00 0.00 H new ATOM 0 HA SER A 35 -6.144 -17.941 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.066 -19.587 5.096 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.695 -19.344 3.478 1.00 0.00 H new ATOM 0 HG SER A 35 -7.237 -21.145 3.591 1.00 0.00 H new ATOM 429 N ARG A 36 -7.477 -15.941 2.656 1.00 0.00 N ATOM 430 CA ARG A 36 -7.656 -15.218 1.403 1.00 0.00 C ATOM 431 C ARG A 36 -6.378 -14.483 1.012 1.00 0.00 C ATOM 432 O ARG A 36 -5.824 -13.717 1.801 1.00 0.00 O ATOM 433 CB ARG A 36 -8.812 -14.224 1.524 1.00 0.00 C ATOM 434 CG ARG A 36 -10.169 -14.886 1.703 1.00 0.00 C ATOM 435 CD ARG A 36 -11.303 -13.888 1.531 1.00 0.00 C ATOM 436 NE ARG A 36 -12.613 -14.519 1.665 1.00 0.00 N ATOM 437 CZ ARG A 36 -13.185 -15.237 0.705 1.00 0.00 C ATOM 438 NH1 ARG A 36 -12.565 -15.414 -0.454 1.00 0.00 N ATOM 439 NH2 ARG A 36 -14.379 -15.780 0.903 1.00 0.00 N ATOM 0 H ARG A 36 -7.421 -15.345 3.482 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.890 -15.944 0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.625 -13.564 2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.837 -13.599 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.280 -15.693 0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.227 -15.337 2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.205 -13.096 2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.226 -13.417 0.551 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.117 -14.402 2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.647 -14.998 -0.610 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.006 -15.966 -1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.859 -15.646 1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.817 -16.331 0.165 1.00 0.00 H new ATOM 453 N SER A 37 -5.915 -14.721 -0.211 1.00 0.00 N ATOM 454 CA SER A 37 -4.699 -14.085 -0.706 1.00 0.00 C ATOM 455 C SER A 37 -4.826 -12.565 -0.665 1.00 0.00 C ATOM 456 O SER A 37 -5.843 -12.028 -0.226 1.00 0.00 O ATOM 457 CB SER A 37 -4.403 -14.545 -2.134 1.00 0.00 C ATOM 458 OG SER A 37 -3.016 -14.473 -2.416 1.00 0.00 O ATOM 0 H SER A 37 -6.363 -15.350 -0.878 1.00 0.00 H new ATOM 0 HA SER A 37 -3.874 -14.381 -0.058 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.752 -15.569 -2.269 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.954 -13.924 -2.841 1.00 0.00 H new ATOM 0 HG SER A 37 -2.853 -14.774 -3.334 1.00 0.00 H new ATOM 464 N ASP A 38 -3.787 -11.879 -1.126 1.00 0.00 N ATOM 465 CA ASP A 38 -3.781 -10.420 -1.144 1.00 0.00 C ATOM 466 C ASP A 38 -4.655 -9.887 -2.275 1.00 0.00 C ATOM 467 O ASP A 38 -5.246 -8.814 -2.162 1.00 0.00 O ATOM 468 CB ASP A 38 -2.352 -9.897 -1.297 1.00 0.00 C ATOM 469 CG ASP A 38 -1.404 -10.493 -0.275 1.00 0.00 C ATOM 470 OD1 ASP A 38 -0.918 -11.621 -0.503 1.00 0.00 O ATOM 471 OD2 ASP A 38 -1.148 -9.831 0.752 1.00 0.00 O ATOM 0 H ASP A 38 -2.938 -12.309 -1.492 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.189 -10.068 -0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.990 -10.125 -2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.353 -8.812 -1.198 1.00 0.00 H new ATOM 476 N GLU A 39 -4.731 -10.645 -3.365 1.00 0.00 N ATOM 477 CA GLU A 39 -5.531 -10.247 -4.517 1.00 0.00 C ATOM 478 C GLU A 39 -6.985 -10.674 -4.343 1.00 0.00 C ATOM 479 O GLU A 39 -7.841 -10.348 -5.165 1.00 0.00 O ATOM 480 CB GLU A 39 -4.959 -10.856 -5.799 1.00 0.00 C ATOM 481 CG GLU A 39 -3.783 -10.080 -6.369 1.00 0.00 C ATOM 482 CD GLU A 39 -4.164 -8.678 -6.802 1.00 0.00 C ATOM 483 OE1 GLU A 39 -5.318 -8.484 -7.239 1.00 0.00 O ATOM 484 OE2 GLU A 39 -3.307 -7.774 -6.704 1.00 0.00 O ATOM 0 H GLU A 39 -4.249 -11.537 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.496 -9.160 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.644 -11.880 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.747 -10.908 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.993 -10.023 -5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.375 -10.621 -7.222 1.00 0.00 H new ATOM 491 N GLU A 40 -7.256 -11.408 -3.268 1.00 0.00 N ATOM 492 CA GLU A 40 -8.606 -11.882 -2.987 1.00 0.00 C ATOM 493 C GLU A 40 -9.242 -11.075 -1.858 1.00 0.00 C ATOM 494 O GLU A 40 -10.356 -10.569 -1.992 1.00 0.00 O ATOM 495 CB GLU A 40 -8.583 -13.366 -2.618 1.00 0.00 C ATOM 496 CG GLU A 40 -8.422 -14.289 -3.814 1.00 0.00 C ATOM 497 CD GLU A 40 -8.442 -15.755 -3.428 1.00 0.00 C ATOM 498 OE1 GLU A 40 -7.452 -16.225 -2.829 1.00 0.00 O ATOM 499 OE2 GLU A 40 -9.449 -16.432 -3.724 1.00 0.00 O ATOM 0 H GLU A 40 -6.559 -11.687 -2.578 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.205 -11.749 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.766 -13.545 -1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.508 -13.617 -2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.222 -14.095 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.483 -14.063 -4.318 1.00 0.00 H new ATOM 506 N CYS A 41 -8.525 -10.961 -0.745 1.00 0.00 N ATOM 507 CA CYS A 41 -9.017 -10.218 0.409 1.00 0.00 C ATOM 508 C CYS A 41 -8.948 -8.714 0.158 1.00 0.00 C ATOM 509 O CYS A 41 -7.949 -8.203 -0.350 1.00 0.00 O ATOM 510 CB CYS A 41 -8.207 -10.575 1.656 1.00 0.00 C ATOM 511 SG CYS A 41 -9.102 -10.323 3.223 1.00 0.00 S ATOM 0 H CYS A 41 -7.601 -11.374 -0.618 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.059 -10.495 0.569 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.899 -11.619 1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.297 -9.975 1.669 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.561 -11.462 3.649 1.00 0.00 H new ATOM 516 N LYS A 42 -10.015 -8.010 0.518 1.00 0.00 N ATOM 517 CA LYS A 42 -10.077 -6.565 0.334 1.00 0.00 C ATOM 518 C LYS A 42 -9.439 -5.838 1.513 1.00 0.00 C ATOM 519 O LYS A 42 -9.882 -4.758 1.903 1.00 0.00 O ATOM 520 CB LYS A 42 -11.530 -6.112 0.168 1.00 0.00 C ATOM 521 CG LYS A 42 -12.359 -6.257 1.432 1.00 0.00 C ATOM 522 CD LYS A 42 -13.660 -5.476 1.338 1.00 0.00 C ATOM 523 CE LYS A 42 -14.132 -5.012 2.707 1.00 0.00 C ATOM 524 NZ LYS A 42 -15.419 -4.268 2.627 1.00 0.00 N ATOM 0 H LYS A 42 -10.850 -8.417 0.939 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.520 -6.316 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.543 -5.069 -0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.994 -6.692 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.578 -7.311 1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.783 -5.905 2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.521 -4.612 0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.428 -6.100 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.252 -5.875 3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.371 -4.374 3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.707 -3.969 3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.299 -3.430 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.152 -4.885 2.222 1.00 0.00 H new ATOM 538 N PHE A 43 -8.395 -6.438 2.077 1.00 0.00 N ATOM 539 CA PHE A 43 -7.695 -5.847 3.212 1.00 0.00 C ATOM 540 C PHE A 43 -6.187 -6.037 3.080 1.00 0.00 C ATOM 541 O PHE A 43 -5.719 -6.812 2.246 1.00 0.00 O ATOM 542 CB PHE A 43 -8.187 -6.469 4.521 1.00 0.00 C ATOM 543 CG PHE A 43 -9.604 -6.107 4.862 1.00 0.00 C ATOM 544 CD1 PHE A 43 -10.661 -6.863 4.381 1.00 0.00 C ATOM 545 CD2 PHE A 43 -9.879 -5.011 5.663 1.00 0.00 C ATOM 546 CE1 PHE A 43 -11.966 -6.533 4.693 1.00 0.00 C ATOM 547 CE2 PHE A 43 -11.182 -4.676 5.979 1.00 0.00 C ATOM 548 CZ PHE A 43 -12.227 -5.437 5.492 1.00 0.00 C ATOM 0 H PHE A 43 -8.016 -7.332 1.767 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.909 -4.778 3.223 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.104 -7.554 4.452 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.534 -6.150 5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.462 -7.720 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.066 -4.411 6.045 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.781 -7.131 4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -11.383 -3.820 6.606 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.246 -5.175 5.736 1.00 0.00 H new ATOM 558 N ALA A 44 -5.432 -5.324 3.909 1.00 0.00 N ATOM 559 CA ALA A 44 -3.978 -5.415 3.887 1.00 0.00 C ATOM 560 C ALA A 44 -3.467 -6.320 5.003 1.00 0.00 C ATOM 561 O ALA A 44 -3.843 -6.163 6.165 1.00 0.00 O ATOM 562 CB ALA A 44 -3.361 -4.029 4.005 1.00 0.00 C ATOM 0 H ALA A 44 -5.804 -4.677 4.604 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.681 -5.854 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.274 -4.112 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.692 -3.411 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.675 -3.570 4.942 1.00 0.00 H new ATOM 568 N HIS A 45 -2.608 -7.269 4.643 1.00 0.00 N ATOM 569 CA HIS A 45 -2.045 -8.200 5.615 1.00 0.00 C ATOM 570 C HIS A 45 -0.535 -8.018 5.730 1.00 0.00 C ATOM 571 O HIS A 45 0.245 -8.614 4.987 1.00 0.00 O ATOM 572 CB HIS A 45 -2.368 -9.641 5.218 1.00 0.00 C ATOM 573 CG HIS A 45 -3.796 -9.844 4.812 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.211 -10.897 4.024 1.00 0.00 N ATOM 575 CD2 HIS A 45 -4.907 -9.123 5.090 1.00 0.00 C ATOM 576 CE1 HIS A 45 -5.515 -10.814 3.834 1.00 0.00 C ATOM 577 NE2 HIS A 45 -5.962 -9.747 4.470 1.00 0.00 N ATOM 0 H HIS A 45 -2.287 -7.413 3.686 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.493 -7.989 6.586 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.719 -9.936 4.394 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.140 -10.300 6.056 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.955 -8.225 5.688 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.114 -11.502 3.256 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.933 -9.436 4.497 1.00 0.00 H new ATOM 585 N PRO A 46 -0.111 -7.175 6.683 1.00 0.00 N ATOM 586 CA PRO A 46 1.309 -6.895 6.917 1.00 0.00 C ATOM 587 C PRO A 46 2.045 -8.091 7.511 1.00 0.00 C ATOM 588 O PRO A 46 1.567 -8.748 8.435 1.00 0.00 O ATOM 589 CB PRO A 46 1.281 -5.734 7.915 1.00 0.00 C ATOM 590 CG PRO A 46 -0.025 -5.870 8.618 1.00 0.00 C ATOM 591 CD PRO A 46 -0.984 -6.430 7.605 1.00 0.00 C ATOM 0 HA PRO A 46 1.838 -6.667 5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.115 -5.793 8.614 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.359 -4.773 7.407 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.063 -6.532 9.480 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.370 -4.905 8.990 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.725 -7.080 8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.531 -5.640 7.090 1.00 0.00 H new ATOM 599 N PRO A 47 3.238 -8.381 6.970 1.00 0.00 N ATOM 600 CA PRO A 47 4.066 -9.498 7.432 1.00 0.00 C ATOM 601 C PRO A 47 4.646 -9.255 8.821 1.00 0.00 C ATOM 602 O PRO A 47 4.480 -8.178 9.394 1.00 0.00 O ATOM 603 CB PRO A 47 5.185 -9.566 6.389 1.00 0.00 C ATOM 604 CG PRO A 47 5.271 -8.185 5.837 1.00 0.00 C ATOM 605 CD PRO A 47 3.870 -7.639 5.866 1.00 0.00 C ATOM 0 HA PRO A 47 3.492 -10.420 7.522 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.129 -9.872 6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.955 -10.291 5.608 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.943 -7.568 6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.665 -8.195 4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.861 -6.564 6.047 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.353 -7.807 4.921 1.00 0.00 H new ATOM 613 N LYS A 48 5.327 -10.262 9.358 1.00 0.00 N ATOM 614 CA LYS A 48 5.933 -10.158 10.679 1.00 0.00 C ATOM 615 C LYS A 48 7.021 -9.089 10.696 1.00 0.00 C ATOM 616 O LYS A 48 7.035 -8.216 11.564 1.00 0.00 O ATOM 617 CB LYS A 48 6.522 -11.506 11.101 1.00 0.00 C ATOM 618 CG LYS A 48 6.645 -11.672 12.606 1.00 0.00 C ATOM 619 CD LYS A 48 7.922 -11.038 13.133 1.00 0.00 C ATOM 620 CE LYS A 48 7.979 -11.082 14.653 1.00 0.00 C ATOM 621 NZ LYS A 48 9.194 -10.404 15.182 1.00 0.00 N ATOM 0 H LYS A 48 5.473 -11.160 8.897 1.00 0.00 H new ATOM 0 HA LYS A 48 5.155 -9.871 11.386 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.896 -12.306 10.706 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.508 -11.620 10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.783 -11.218 13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.633 -12.732 12.859 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.786 -11.559 12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.982 -10.003 12.795 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.089 -10.605 15.064 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.968 -12.120 14.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.196 -10.456 16.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.044 -10.875 14.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.192 -9.407 14.885 1.00 0.00 H new ATOM 635 N SER A 49 7.931 -9.162 9.729 1.00 0.00 N ATOM 636 CA SER A 49 9.025 -8.202 9.634 1.00 0.00 C ATOM 637 C SER A 49 8.497 -6.771 9.681 1.00 0.00 C ATOM 638 O SER A 49 9.141 -5.878 10.232 1.00 0.00 O ATOM 639 CB SER A 49 9.816 -8.424 8.344 1.00 0.00 C ATOM 640 OG SER A 49 8.993 -8.242 7.204 1.00 0.00 O ATOM 0 H SER A 49 7.932 -9.876 9.001 1.00 0.00 H new ATOM 0 HA SER A 49 9.686 -8.355 10.487 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.656 -7.730 8.305 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.233 -9.431 8.338 1.00 0.00 H new ATOM 0 HG SER A 49 9.522 -8.388 6.392 1.00 0.00 H new ATOM 646 N CYS A 50 7.321 -6.562 9.099 1.00 0.00 N ATOM 647 CA CYS A 50 6.705 -5.240 9.073 1.00 0.00 C ATOM 648 C CYS A 50 5.932 -4.974 10.361 1.00 0.00 C ATOM 649 O CYS A 50 5.175 -5.825 10.828 1.00 0.00 O ATOM 650 CB CYS A 50 5.772 -5.113 7.868 1.00 0.00 C ATOM 651 SG CYS A 50 6.626 -4.847 6.297 1.00 0.00 S ATOM 0 H CYS A 50 6.775 -7.291 8.639 1.00 0.00 H new ATOM 0 HA CYS A 50 7.499 -4.498 8.988 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.169 -6.018 7.792 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.085 -4.285 8.040 1.00 0.00 H new ATOM 0 HG CYS A 50 7.842 -4.448 6.526 1.00 0.00 H new ATOM 657 N GLN A 51 6.130 -3.790 10.930 1.00 0.00 N ATOM 658 CA GLN A 51 5.454 -3.414 12.165 1.00 0.00 C ATOM 659 C GLN A 51 3.976 -3.130 11.912 1.00 0.00 C ATOM 660 O GLN A 51 3.594 -2.695 10.826 1.00 0.00 O ATOM 661 CB GLN A 51 6.122 -2.185 12.784 1.00 0.00 C ATOM 662 CG GLN A 51 5.370 -1.620 13.979 1.00 0.00 C ATOM 663 CD GLN A 51 6.090 -0.451 14.622 1.00 0.00 C ATOM 664 OE1 GLN A 51 7.316 -0.448 14.735 1.00 0.00 O ATOM 665 NE2 GLN A 51 5.330 0.550 15.048 1.00 0.00 N ATOM 0 H GLN A 51 6.753 -3.075 10.555 1.00 0.00 H new ATOM 0 HA GLN A 51 5.532 -4.250 12.860 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.133 -2.449 13.093 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.213 -1.410 12.023 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.378 -1.300 13.661 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.229 -2.407 14.720 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.317 0.506 14.934 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.759 1.364 15.489 1.00 0.00 H new ATOM 674 N VAL A 52 3.149 -3.381 12.923 1.00 0.00 N ATOM 675 CA VAL A 52 1.714 -3.152 12.810 1.00 0.00 C ATOM 676 C VAL A 52 1.224 -2.191 13.888 1.00 0.00 C ATOM 677 O VAL A 52 1.501 -2.378 15.072 1.00 0.00 O ATOM 678 CB VAL A 52 0.925 -4.471 12.917 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.571 -4.203 12.881 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.331 -5.425 11.804 1.00 0.00 C ATOM 0 H VAL A 52 3.449 -3.743 13.828 1.00 0.00 H new ATOM 0 HA VAL A 52 1.540 -2.712 11.828 1.00 0.00 H new ATOM 0 HB VAL A 52 1.162 -4.940 13.872 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.112 -5.146 12.958 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.845 -3.559 13.716 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.830 -3.712 11.943 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.764 -6.352 11.894 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.124 -4.966 10.837 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.396 -5.642 11.882 1.00 0.00 H new ATOM 690 N GLU A 53 0.494 -1.162 13.468 1.00 0.00 N ATOM 691 CA GLU A 53 -0.034 -0.171 14.399 1.00 0.00 C ATOM 692 C GLU A 53 -1.348 -0.647 15.011 1.00 0.00 C ATOM 693 O GLU A 53 -1.963 -1.596 14.528 1.00 0.00 O ATOM 694 CB GLU A 53 -0.244 1.167 13.688 1.00 0.00 C ATOM 695 CG GLU A 53 1.041 1.786 13.163 1.00 0.00 C ATOM 696 CD GLU A 53 0.906 3.273 12.898 1.00 0.00 C ATOM 697 OE1 GLU A 53 -0.109 3.679 12.295 1.00 0.00 O ATOM 698 OE2 GLU A 53 1.817 4.030 13.293 1.00 0.00 O ATOM 0 H GLU A 53 0.255 -0.993 12.491 1.00 0.00 H new ATOM 0 HA GLU A 53 0.693 -0.038 15.200 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.934 1.023 12.857 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.718 1.865 14.378 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.841 1.620 13.885 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.333 1.282 12.242 1.00 0.00 H new ATOM 705 N ASN A 54 -1.772 0.022 16.079 1.00 0.00 N ATOM 706 CA ASN A 54 -3.013 -0.332 16.759 1.00 0.00 C ATOM 707 C ASN A 54 -4.175 -0.399 15.772 1.00 0.00 C ATOM 708 O ASN A 54 -4.658 0.628 15.296 1.00 0.00 O ATOM 709 CB ASN A 54 -3.323 0.683 17.861 1.00 0.00 C ATOM 710 CG ASN A 54 -3.241 2.115 17.367 1.00 0.00 C ATOM 711 OD1 ASN A 54 -2.170 2.722 17.362 1.00 0.00 O ATOM 712 ND2 ASN A 54 -4.376 2.662 16.948 1.00 0.00 N ATOM 0 H ASN A 54 -1.275 0.811 16.492 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.884 -1.317 17.208 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.322 0.494 18.255 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.624 0.545 18.686 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.383 3.622 16.604 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.241 2.122 16.970 1.00 0.00 H new ATOM 719 N GLY A 55 -4.618 -1.615 15.469 1.00 0.00 N ATOM 720 CA GLY A 55 -5.720 -1.793 14.541 1.00 0.00 C ATOM 721 C GLY A 55 -5.479 -1.099 13.216 1.00 0.00 C ATOM 722 O GLY A 55 -6.424 -0.776 12.496 1.00 0.00 O ATOM 0 H GLY A 55 -4.234 -2.480 15.849 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.876 -2.858 14.367 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.635 -1.406 14.989 1.00 0.00 H new ATOM 726 N ARG A 56 -4.211 -0.866 12.893 1.00 0.00 N ATOM 727 CA ARG A 56 -3.849 -0.203 11.646 1.00 0.00 C ATOM 728 C ARG A 56 -2.426 -0.563 11.231 1.00 0.00 C ATOM 729 O ARG A 56 -1.704 -1.234 11.970 1.00 0.00 O ATOM 730 CB ARG A 56 -3.980 1.314 11.794 1.00 0.00 C ATOM 731 CG ARG A 56 -4.367 2.021 10.505 1.00 0.00 C ATOM 732 CD ARG A 56 -4.910 3.415 10.776 1.00 0.00 C ATOM 733 NE ARG A 56 -6.188 3.378 11.481 1.00 0.00 N ATOM 734 CZ ARG A 56 -6.666 4.395 12.190 1.00 0.00 C ATOM 735 NH1 ARG A 56 -5.976 5.522 12.287 1.00 0.00 N ATOM 736 NH2 ARG A 56 -7.838 4.284 12.803 1.00 0.00 N ATOM 0 H ARG A 56 -3.417 -1.127 13.478 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.533 -0.546 10.870 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.727 1.533 12.557 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.033 1.719 12.150 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.498 2.089 9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.118 1.433 9.977 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.187 3.977 11.367 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.032 3.946 9.832 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.744 2.525 11.426 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.075 5.611 11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.346 6.301 12.832 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.372 3.418 12.730 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.205 5.065 13.347 1.00 0.00 H new ATOM 750 N VAL A 57 -2.029 -0.114 10.045 1.00 0.00 N ATOM 751 CA VAL A 57 -0.692 -0.388 9.532 1.00 0.00 C ATOM 752 C VAL A 57 -0.282 0.643 8.486 1.00 0.00 C ATOM 753 O VAL A 57 -1.124 1.173 7.760 1.00 0.00 O ATOM 754 CB VAL A 57 -0.607 -1.795 8.911 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.545 -1.910 7.720 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.825 -2.112 8.505 1.00 0.00 C ATOM 0 H VAL A 57 -2.614 0.441 9.421 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.010 -0.331 10.380 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.918 -2.524 9.660 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.471 -2.911 7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.569 -1.728 8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.268 -1.174 6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.867 -3.110 8.068 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.166 -1.380 7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.469 -2.073 9.383 1.00 0.00 H new ATOM 766 N ILE A 58 1.015 0.923 8.416 1.00 0.00 N ATOM 767 CA ILE A 58 1.536 1.889 7.457 1.00 0.00 C ATOM 768 C ILE A 58 1.895 1.216 6.137 1.00 0.00 C ATOM 769 O ILE A 58 2.548 0.173 6.118 1.00 0.00 O ATOM 770 CB ILE A 58 2.780 2.612 8.007 1.00 0.00 C ATOM 771 CG1 ILE A 58 2.432 3.365 9.292 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.342 3.566 6.963 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.613 4.079 9.912 1.00 0.00 C ATOM 0 H ILE A 58 1.724 0.495 9.012 1.00 0.00 H new ATOM 0 HA ILE A 58 0.746 2.620 7.285 1.00 0.00 H new ATOM 0 HB ILE A 58 3.542 1.868 8.239 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.650 4.093 9.077 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.022 2.661 10.016 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.221 4.070 7.366 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.622 3.005 6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.586 4.307 6.703 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.293 4.591 10.819 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.388 3.353 10.159 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.010 4.807 9.205 1.00 0.00 H new ATOM 785 N ALA A 59 1.466 1.820 5.034 1.00 0.00 N ATOM 786 CA ALA A 59 1.745 1.281 3.709 1.00 0.00 C ATOM 787 C ALA A 59 3.042 1.852 3.147 1.00 0.00 C ATOM 788 O ALA A 59 3.254 3.065 3.156 1.00 0.00 O ATOM 789 CB ALA A 59 0.586 1.571 2.767 1.00 0.00 C ATOM 0 H ALA A 59 0.923 2.684 5.032 1.00 0.00 H new ATOM 0 HA ALA A 59 1.863 0.201 3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.808 1.163 1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.322 1.110 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.441 2.649 2.689 1.00 0.00 H new ATOM 795 N CYS A 60 3.908 0.971 2.658 1.00 0.00 N ATOM 796 CA CYS A 60 5.186 1.387 2.092 1.00 0.00 C ATOM 797 C CYS A 60 4.977 2.336 0.915 1.00 0.00 C ATOM 798 O CYS A 60 4.005 2.212 0.169 1.00 0.00 O ATOM 799 CB CYS A 60 5.989 0.165 1.639 1.00 0.00 C ATOM 800 SG CYS A 60 7.645 0.562 0.993 1.00 0.00 S ATOM 0 H CYS A 60 3.748 -0.036 2.642 1.00 0.00 H new ATOM 0 HA CYS A 60 5.743 1.914 2.866 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.093 -0.520 2.480 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.426 -0.361 0.868 1.00 0.00 H new ATOM 0 HG CYS A 60 8.547 -0.024 1.722 1.00 0.00 H new ATOM 805 N PHE A 61 5.895 3.283 0.756 1.00 0.00 N ATOM 806 CA PHE A 61 5.812 4.254 -0.329 1.00 0.00 C ATOM 807 C PHE A 61 6.410 3.687 -1.613 1.00 0.00 C ATOM 808 O PHE A 61 5.757 3.662 -2.657 1.00 0.00 O ATOM 809 CB PHE A 61 6.535 5.546 0.058 1.00 0.00 C ATOM 810 CG PHE A 61 6.570 6.566 -1.044 1.00 0.00 C ATOM 811 CD1 PHE A 61 7.347 6.361 -2.172 1.00 0.00 C ATOM 812 CD2 PHE A 61 5.824 7.730 -0.951 1.00 0.00 C ATOM 813 CE1 PHE A 61 7.381 7.299 -3.187 1.00 0.00 C ATOM 814 CE2 PHE A 61 5.854 8.672 -1.963 1.00 0.00 C ATOM 815 CZ PHE A 61 6.633 8.455 -3.083 1.00 0.00 C ATOM 0 H PHE A 61 6.705 3.399 1.365 1.00 0.00 H new ATOM 0 HA PHE A 61 4.759 4.475 -0.506 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.045 5.981 0.929 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.557 5.307 0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.933 5.458 -2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.212 7.904 -0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.992 7.128 -4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.269 9.576 -1.878 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.657 9.188 -3.876 1.00 0.00 H new ATOM 825 N ASP A 62 7.656 3.234 -1.528 1.00 0.00 N ATOM 826 CA ASP A 62 8.344 2.668 -2.682 1.00 0.00 C ATOM 827 C ASP A 62 7.536 1.524 -3.288 1.00 0.00 C ATOM 828 O ASP A 62 7.325 1.474 -4.500 1.00 0.00 O ATOM 829 CB ASP A 62 9.734 2.171 -2.282 1.00 0.00 C ATOM 830 CG ASP A 62 10.741 3.298 -2.167 1.00 0.00 C ATOM 831 OD1 ASP A 62 10.328 4.432 -1.846 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.942 3.047 -2.400 1.00 0.00 O ATOM 0 H ASP A 62 8.210 3.248 -0.672 1.00 0.00 H new ATOM 0 HA ASP A 62 8.450 3.452 -3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.669 1.647 -1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.084 1.448 -3.019 1.00 0.00 H new ATOM 837 N SER A 63 7.089 0.606 -2.437 1.00 0.00 N ATOM 838 CA SER A 63 6.309 -0.540 -2.889 1.00 0.00 C ATOM 839 C SER A 63 5.252 -0.112 -3.903 1.00 0.00 C ATOM 840 O SER A 63 4.955 -0.839 -4.852 1.00 0.00 O ATOM 841 CB SER A 63 5.641 -1.230 -1.699 1.00 0.00 C ATOM 842 OG SER A 63 4.525 -0.488 -1.239 1.00 0.00 O ATOM 0 H SER A 63 7.254 0.634 -1.431 1.00 0.00 H new ATOM 0 HA SER A 63 6.988 -1.242 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.322 -2.231 -1.988 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.362 -1.346 -0.890 1.00 0.00 H new ATOM 0 HG SER A 63 3.716 -1.037 -1.308 1.00 0.00 H new ATOM 848 N LEU A 64 4.687 1.072 -3.694 1.00 0.00 N ATOM 849 CA LEU A 64 3.662 1.599 -4.589 1.00 0.00 C ATOM 850 C LEU A 64 4.116 1.520 -6.043 1.00 0.00 C ATOM 851 O LEU A 64 3.344 1.147 -6.926 1.00 0.00 O ATOM 852 CB LEU A 64 3.333 3.047 -4.223 1.00 0.00 C ATOM 853 CG LEU A 64 2.921 3.296 -2.771 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.749 4.785 -2.513 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.640 2.544 -2.444 1.00 0.00 C ATOM 0 H LEU A 64 4.921 1.685 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 64 2.766 0.989 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.205 3.663 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.528 3.391 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 64 3.712 2.925 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.456 4.943 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.691 5.299 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.977 5.182 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.362 2.733 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.840 2.884 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.799 1.475 -2.588 1.00 0.00 H new ATOM 867 N LYS A 65 5.374 1.873 -6.284 1.00 0.00 N ATOM 868 CA LYS A 65 5.933 1.840 -7.631 1.00 0.00 C ATOM 869 C LYS A 65 6.133 0.403 -8.101 1.00 0.00 C ATOM 870 O LYS A 65 6.166 0.131 -9.301 1.00 0.00 O ATOM 871 CB LYS A 65 7.267 2.590 -7.670 1.00 0.00 C ATOM 872 CG LYS A 65 7.121 4.074 -7.960 1.00 0.00 C ATOM 873 CD LYS A 65 7.009 4.342 -9.452 1.00 0.00 C ATOM 874 CE LYS A 65 8.375 4.560 -10.083 1.00 0.00 C ATOM 875 NZ LYS A 65 9.059 3.272 -10.384 1.00 0.00 N ATOM 0 H LYS A 65 6.026 2.185 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 65 5.228 2.329 -8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.774 2.463 -6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.905 2.140 -8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.237 4.460 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.979 4.611 -7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.513 3.502 -9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.385 5.220 -9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.263 5.135 -11.002 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.995 5.152 -9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.742 3.414 -11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.560 2.938 -9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.354 2.563 -10.671 1.00 0.00 H new ATOM 889 N GLY A 66 6.264 -0.515 -7.148 1.00 0.00 N ATOM 890 CA GLY A 66 6.457 -1.913 -7.486 1.00 0.00 C ATOM 891 C GLY A 66 7.858 -2.398 -7.169 1.00 0.00 C ATOM 892 O GLY A 66 8.132 -3.597 -7.218 1.00 0.00 O ATOM 0 H GLY A 66 6.240 -0.315 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.734 -2.519 -6.940 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.257 -2.058 -8.548 1.00 0.00 H new ATOM 896 N ARG A 67 8.747 -1.465 -6.846 1.00 0.00 N ATOM 897 CA ARG A 67 10.128 -1.803 -6.524 1.00 0.00 C ATOM 898 C ARG A 67 10.564 -1.128 -5.227 1.00 0.00 C ATOM 899 O ARG A 67 10.753 0.088 -5.181 1.00 0.00 O ATOM 900 CB ARG A 67 11.057 -1.388 -7.666 1.00 0.00 C ATOM 901 CG ARG A 67 12.275 -2.286 -7.817 1.00 0.00 C ATOM 902 CD ARG A 67 13.268 -2.071 -6.686 1.00 0.00 C ATOM 903 NE ARG A 67 14.369 -3.029 -6.735 1.00 0.00 N ATOM 904 CZ ARG A 67 15.425 -2.978 -5.930 1.00 0.00 C ATOM 905 NH1 ARG A 67 15.521 -2.021 -5.018 1.00 0.00 N ATOM 906 NH2 ARG A 67 16.386 -3.887 -6.037 1.00 0.00 N ATOM 0 H ARG A 67 8.535 -0.468 -6.800 1.00 0.00 H new ATOM 0 HA ARG A 67 10.190 -2.883 -6.390 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.495 -1.392 -8.600 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.390 -0.364 -7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.960 -3.329 -7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.760 -2.085 -8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.666 -1.058 -6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.753 -2.159 -5.730 1.00 0.00 H new ATOM 0 HE ARG A 67 14.325 -3.779 -7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.783 -1.322 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.333 -1.984 -4.401 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.314 -4.625 -6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.196 -3.848 -5.419 1.00 0.00 H new ATOM 920 N CYS A 68 10.722 -1.924 -4.175 1.00 0.00 N ATOM 921 CA CYS A 68 11.136 -1.405 -2.877 1.00 0.00 C ATOM 922 C CYS A 68 12.638 -1.579 -2.675 1.00 0.00 C ATOM 923 O CYS A 68 13.250 -2.484 -3.241 1.00 0.00 O ATOM 924 CB CYS A 68 10.374 -2.112 -1.755 1.00 0.00 C ATOM 925 SG CYS A 68 10.841 -1.567 -0.081 1.00 0.00 S ATOM 0 H CYS A 68 10.569 -2.932 -4.196 1.00 0.00 H new ATOM 0 HA CYS A 68 10.905 -0.340 -2.849 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.306 -1.946 -1.895 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.543 -3.186 -1.836 1.00 0.00 H new ATOM 0 HG CYS A 68 9.886 -0.843 0.422 1.00 0.00 H new ATOM 930 N SER A 69 13.226 -0.704 -1.864 1.00 0.00 N ATOM 931 CA SER A 69 14.657 -0.759 -1.590 1.00 0.00 C ATOM 932 C SER A 69 14.917 -1.141 -0.136 1.00 0.00 C ATOM 933 O SER A 69 15.635 -2.101 0.146 1.00 0.00 O ATOM 934 CB SER A 69 15.308 0.591 -1.898 1.00 0.00 C ATOM 935 OG SER A 69 15.481 0.767 -3.294 1.00 0.00 O ATOM 0 H SER A 69 12.733 0.051 -1.386 1.00 0.00 H new ATOM 0 HA SER A 69 15.096 -1.522 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 69 14.689 1.396 -1.501 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.274 0.655 -1.398 1.00 0.00 H new ATOM 0 HG SER A 69 15.897 1.638 -3.465 1.00 0.00 H new ATOM 941 N ARG A 70 14.328 -0.384 0.783 1.00 0.00 N ATOM 942 CA ARG A 70 14.496 -0.641 2.208 1.00 0.00 C ATOM 943 C ARG A 70 14.641 -2.136 2.477 1.00 0.00 C ATOM 944 O ARG A 70 13.721 -2.914 2.225 1.00 0.00 O ATOM 945 CB ARG A 70 13.306 -0.085 2.993 1.00 0.00 C ATOM 946 CG ARG A 70 13.402 1.407 3.267 1.00 0.00 C ATOM 947 CD ARG A 70 12.722 1.778 4.576 1.00 0.00 C ATOM 948 NE ARG A 70 13.644 1.720 5.707 1.00 0.00 N ATOM 949 CZ ARG A 70 13.252 1.558 6.966 1.00 0.00 C ATOM 950 NH1 ARG A 70 11.964 1.437 7.253 1.00 0.00 N ATOM 951 NH2 ARG A 70 14.151 1.515 7.942 1.00 0.00 N ATOM 0 H ARG A 70 13.730 0.413 0.566 1.00 0.00 H new ATOM 0 HA ARG A 70 15.406 -0.139 2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.390 -0.286 2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.227 -0.616 3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.450 1.705 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.942 1.959 2.447 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.308 2.783 4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.886 1.102 4.755 1.00 0.00 H new ATOM 0 HE ARG A 70 14.643 1.809 5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.270 1.468 6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.667 1.313 8.221 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.144 1.606 7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.849 1.391 8.908 1.00 0.00 H new ATOM 965 N GLU A 71 15.803 -2.530 2.989 1.00 0.00 N ATOM 966 CA GLU A 71 16.068 -3.932 3.290 1.00 0.00 C ATOM 967 C GLU A 71 15.016 -4.493 4.243 1.00 0.00 C ATOM 968 O GLU A 71 14.161 -5.283 3.845 1.00 0.00 O ATOM 969 CB GLU A 71 17.462 -4.091 3.902 1.00 0.00 C ATOM 970 CG GLU A 71 18.585 -3.653 2.977 1.00 0.00 C ATOM 971 CD GLU A 71 19.789 -3.123 3.732 1.00 0.00 C ATOM 972 OE1 GLU A 71 19.662 -2.068 4.388 1.00 0.00 O ATOM 973 OE2 GLU A 71 20.859 -3.765 3.668 1.00 0.00 O ATOM 0 H GLU A 71 16.575 -1.899 3.204 1.00 0.00 H new ATOM 0 HA GLU A 71 16.023 -4.492 2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.514 -3.511 4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.613 -5.135 4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.891 -4.497 2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.215 -2.881 2.302 1.00 0.00 H new ATOM 980 N ASN A 72 15.086 -4.077 5.503 1.00 0.00 N ATOM 981 CA ASN A 72 14.141 -4.538 6.514 1.00 0.00 C ATOM 982 C ASN A 72 12.891 -3.662 6.530 1.00 0.00 C ATOM 983 O ASN A 72 12.285 -3.446 7.579 1.00 0.00 O ATOM 984 CB ASN A 72 14.797 -4.534 7.896 1.00 0.00 C ATOM 985 CG ASN A 72 16.080 -5.343 7.929 1.00 0.00 C ATOM 986 OD1 ASN A 72 16.064 -6.541 8.211 1.00 0.00 O ATOM 987 ND2 ASN A 72 17.199 -4.689 7.640 1.00 0.00 N ATOM 0 H ASN A 72 15.787 -3.422 5.849 1.00 0.00 H new ATOM 0 HA ASN A 72 13.847 -5.557 6.262 1.00 0.00 H new ATOM 0 HB2 ASN A 72 15.011 -3.507 8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.098 -4.937 8.628 1.00 0.00 H new ATOM 0 HD21 ASN A 72 18.093 -5.180 7.646 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.165 -3.695 7.412 1.00 0.00 H new ATOM 994 N CYS A 73 12.512 -3.161 5.359 1.00 0.00 N ATOM 995 CA CYS A 73 11.335 -2.309 5.236 1.00 0.00 C ATOM 996 C CYS A 73 10.250 -2.737 6.220 1.00 0.00 C ATOM 997 O CYS A 73 9.663 -3.811 6.087 1.00 0.00 O ATOM 998 CB CYS A 73 10.792 -2.358 3.807 1.00 0.00 C ATOM 999 SG CYS A 73 9.235 -1.440 3.572 1.00 0.00 S ATOM 0 H CYS A 73 13.003 -3.330 4.481 1.00 0.00 H new ATOM 0 HA CYS A 73 11.630 -1.286 5.470 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.545 -1.955 3.129 1.00 0.00 H new ATOM 0 HB3 CYS A 73 10.634 -3.399 3.525 1.00 0.00 H new ATOM 0 HG CYS A 73 8.227 -2.230 3.796 1.00 0.00 H new ATOM 1004 N LYS A 74 9.987 -1.888 7.208 1.00 0.00 N ATOM 1005 CA LYS A 74 8.971 -2.175 8.214 1.00 0.00 C ATOM 1006 C LYS A 74 7.603 -1.673 7.764 1.00 0.00 C ATOM 1007 O LYS A 74 6.787 -1.248 8.582 1.00 0.00 O ATOM 1008 CB LYS A 74 9.350 -1.529 9.549 1.00 0.00 C ATOM 1009 CG LYS A 74 9.371 -0.011 9.505 1.00 0.00 C ATOM 1010 CD LYS A 74 9.452 0.586 10.900 1.00 0.00 C ATOM 1011 CE LYS A 74 10.137 1.944 10.887 1.00 0.00 C ATOM 1012 NZ LYS A 74 9.164 3.054 10.689 1.00 0.00 N ATOM 0 H LYS A 74 10.464 -0.995 7.333 1.00 0.00 H new ATOM 0 HA LYS A 74 8.917 -3.256 8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.643 -1.852 10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.333 -1.889 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.223 0.325 8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.473 0.352 9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.448 0.688 11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.998 -0.092 11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.670 2.091 11.827 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.882 1.968 10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.512 3.910 11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.056 3.244 9.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.243 2.784 11.091 1.00 0.00 H new ATOM 1026 N TYR A 75 7.358 -1.728 6.460 1.00 0.00 N ATOM 1027 CA TYR A 75 6.088 -1.278 5.901 1.00 0.00 C ATOM 1028 C TYR A 75 5.514 -2.319 4.945 1.00 0.00 C ATOM 1029 O TYR A 75 6.223 -2.851 4.089 1.00 0.00 O ATOM 1030 CB TYR A 75 6.271 0.054 5.173 1.00 0.00 C ATOM 1031 CG TYR A 75 6.946 1.116 6.012 1.00 0.00 C ATOM 1032 CD1 TYR A 75 6.312 1.658 7.123 1.00 0.00 C ATOM 1033 CD2 TYR A 75 8.218 1.576 5.693 1.00 0.00 C ATOM 1034 CE1 TYR A 75 6.925 2.629 7.891 1.00 0.00 C ATOM 1035 CE2 TYR A 75 8.839 2.545 6.457 1.00 0.00 C ATOM 1036 CZ TYR A 75 8.188 3.068 7.555 1.00 0.00 C ATOM 1037 OH TYR A 75 8.803 4.034 8.319 1.00 0.00 O ATOM 0 H TYR A 75 8.022 -2.080 5.770 1.00 0.00 H new ATOM 0 HA TYR A 75 5.386 -1.141 6.724 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.860 -0.113 4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.295 0.421 4.854 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.324 1.315 7.391 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.730 1.169 4.833 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.417 3.042 8.750 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.828 2.891 6.196 1.00 0.00 H new ATOM 0 HH TYR A 75 9.688 4.230 7.948 1.00 0.00 H new ATOM 1047 N LEU A 76 4.226 -2.605 5.096 1.00 0.00 N ATOM 1048 CA LEU A 76 3.554 -3.582 4.247 1.00 0.00 C ATOM 1049 C LEU A 76 3.320 -3.018 2.849 1.00 0.00 C ATOM 1050 O LEU A 76 3.176 -1.808 2.672 1.00 0.00 O ATOM 1051 CB LEU A 76 2.221 -3.999 4.871 1.00 0.00 C ATOM 1052 CG LEU A 76 1.220 -4.669 3.929 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.695 -6.063 3.549 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.158 -4.730 4.572 1.00 0.00 C ATOM 0 H LEU A 76 3.626 -2.174 5.799 1.00 0.00 H new ATOM 0 HA LEU A 76 4.198 -4.458 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.426 -4.681 5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.750 -3.114 5.299 1.00 0.00 H new ATOM 0 HG LEU A 76 1.149 -4.072 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.970 -6.524 2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.660 -5.994 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.795 -6.671 4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.858 -5.210 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.103 -5.305 5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.502 -3.719 4.793 1.00 0.00 H new ATOM 1066 N HIS A 77 3.280 -3.903 1.858 1.00 0.00 N ATOM 1067 CA HIS A 77 3.060 -3.494 0.475 1.00 0.00 C ATOM 1068 C HIS A 77 1.663 -3.892 0.007 1.00 0.00 C ATOM 1069 O HIS A 77 1.418 -5.028 -0.399 1.00 0.00 O ATOM 1070 CB HIS A 77 4.114 -4.120 -0.438 1.00 0.00 C ATOM 1071 CG HIS A 77 5.519 -3.756 -0.068 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.609 -4.070 -0.852 1.00 0.00 N ATOM 1073 CD2 HIS A 77 6.009 -3.100 1.010 1.00 0.00 C ATOM 1074 CE1 HIS A 77 7.709 -3.624 -0.272 1.00 0.00 C ATOM 1075 NE2 HIS A 77 7.372 -3.031 0.860 1.00 0.00 N ATOM 0 H HIS A 77 3.397 -4.908 1.987 1.00 0.00 H new ATOM 0 HA HIS A 77 3.146 -2.409 0.425 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.009 -5.205 -0.410 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.925 -3.808 -1.465 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.435 -2.704 1.835 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.713 -3.727 -0.657 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.019 -2.593 1.516 1.00 0.00 H new ATOM 1083 N PRO A 78 0.725 -2.935 0.065 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.663 -3.162 -0.349 1.00 0.00 C ATOM 1085 C PRO A 78 -0.796 -3.339 -1.858 1.00 0.00 C ATOM 1086 O PRO A 78 -0.050 -2.754 -2.644 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.382 -1.890 0.106 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.318 -0.847 0.143 1.00 0.00 C ATOM 1089 CD PRO A 78 0.946 -1.559 0.538 1.00 0.00 C ATOM 0 HA PRO A 78 -1.072 -4.076 0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.180 -1.617 -0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.840 -2.023 1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.208 -0.367 -0.829 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.565 -0.063 0.859 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.823 -1.110 0.071 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.106 -1.525 1.616 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.769 -4.163 -2.275 1.00 0.00 N ATOM 1098 CA PRO A 79 -2.023 -4.435 -3.693 1.00 0.00 C ATOM 1099 C PRO A 79 -2.602 -3.226 -4.420 1.00 0.00 C ATOM 1100 O PRO A 79 -2.945 -2.219 -3.798 1.00 0.00 O ATOM 1101 CB PRO A 79 -3.042 -5.576 -3.658 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.729 -5.431 -2.344 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.696 -4.893 -1.394 1.00 0.00 C ATOM 0 HA PRO A 79 -1.107 -4.679 -4.232 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.749 -5.501 -4.484 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.553 -6.546 -3.744 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.579 -4.753 -2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.116 -6.390 -1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.141 -4.236 -0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.191 -5.694 -0.854 1.00 0.00 H new ATOM 1111 N THR A 80 -2.709 -3.330 -5.741 1.00 0.00 N ATOM 1112 CA THR A 80 -3.246 -2.246 -6.552 1.00 0.00 C ATOM 1113 C THR A 80 -4.659 -1.878 -6.114 1.00 0.00 C ATOM 1114 O THR A 80 -4.902 -0.773 -5.629 1.00 0.00 O ATOM 1115 CB THR A 80 -3.265 -2.618 -8.047 1.00 0.00 C ATOM 1116 OG1 THR A 80 -2.020 -3.223 -8.417 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.513 -1.389 -8.908 1.00 0.00 C ATOM 0 H THR A 80 -2.430 -4.155 -6.272 1.00 0.00 H new ATOM 0 HA THR A 80 -2.589 -1.389 -6.407 1.00 0.00 H new ATOM 0 HB THR A 80 -4.077 -3.327 -8.212 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.040 -3.458 -9.368 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.522 -1.677 -9.959 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.474 -0.948 -8.644 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.721 -0.660 -8.738 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.589 -2.812 -6.287 1.00 0.00 N ATOM 1126 CA HIS A 81 -6.979 -2.586 -5.908 1.00 0.00 C ATOM 1127 C HIS A 81 -7.066 -1.838 -4.581 1.00 0.00 C ATOM 1128 O HIS A 81 -8.012 -1.087 -4.341 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.724 -3.917 -5.805 1.00 0.00 C ATOM 1130 CG HIS A 81 -7.174 -4.833 -4.756 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -6.083 -5.650 -4.967 1.00 0.00 N ATOM 1132 CD2 HIS A 81 -7.568 -5.056 -3.480 1.00 0.00 C ATOM 1133 CE1 HIS A 81 -5.832 -6.338 -3.867 1.00 0.00 C ATOM 1134 NE2 HIS A 81 -6.718 -5.996 -2.950 1.00 0.00 N ATOM 0 H HIS A 81 -5.405 -3.732 -6.687 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.446 -1.975 -6.681 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.774 -3.720 -5.589 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.686 -4.421 -6.771 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.396 -4.583 -2.973 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.037 -7.058 -3.740 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -6.764 -6.369 -2.002 1.00 0.00 H new ATOM 1142 N LEU A 82 -6.073 -2.048 -3.724 1.00 0.00 N ATOM 1143 CA LEU A 82 -6.037 -1.393 -2.420 1.00 0.00 C ATOM 1144 C LEU A 82 -5.319 -0.050 -2.505 1.00 0.00 C ATOM 1145 O LEU A 82 -5.687 0.908 -1.825 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.343 -2.292 -1.395 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.194 -3.415 -0.802 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.396 -4.205 0.224 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.460 -2.849 -0.174 1.00 0.00 C ATOM 0 H LEU A 82 -5.283 -2.666 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.064 -1.215 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.467 -2.737 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.982 -1.667 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.482 -4.091 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.018 -5.000 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.519 -4.641 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.078 -3.541 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.054 -3.662 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.192 -2.151 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.042 -2.328 -0.934 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.292 0.014 -3.346 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.523 1.240 -3.524 1.00 0.00 C ATOM 1163 C LYS A 83 -4.447 2.439 -3.707 1.00 0.00 C ATOM 1164 O LYS A 83 -4.090 3.569 -3.368 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.590 1.111 -4.730 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.237 0.510 -4.392 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.173 0.934 -5.391 1.00 0.00 C ATOM 1168 CE LYS A 83 -0.171 0.035 -6.618 1.00 0.00 C ATOM 1169 NZ LYS A 83 -1.084 0.542 -7.679 1.00 0.00 N ATOM 0 H LYS A 83 -3.973 -0.770 -3.915 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.925 1.398 -2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.073 0.494 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.440 2.097 -5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.940 0.820 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.314 -0.577 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.348 1.966 -5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.807 0.904 -4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.842 -0.036 -7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.472 -0.972 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.978 -0.039 -8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.067 0.490 -7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.845 1.530 -7.900 1.00 0.00 H new ATOM 1183 N THR A 84 -5.636 2.188 -4.245 1.00 0.00 N ATOM 1184 CA THR A 84 -6.611 3.247 -4.473 1.00 0.00 C ATOM 1185 C THR A 84 -7.052 3.881 -3.159 1.00 0.00 C ATOM 1186 O THR A 84 -6.925 5.090 -2.969 1.00 0.00 O ATOM 1187 CB THR A 84 -7.852 2.718 -5.217 1.00 0.00 C ATOM 1188 OG1 THR A 84 -7.450 1.956 -6.360 1.00 0.00 O ATOM 1189 CG2 THR A 84 -8.750 3.865 -5.655 1.00 0.00 C ATOM 0 H THR A 84 -5.947 1.260 -4.531 1.00 0.00 H new ATOM 0 HA THR A 84 -6.121 4.000 -5.090 1.00 0.00 H new ATOM 0 HB THR A 84 -8.413 2.079 -4.535 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.245 1.622 -6.826 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.620 3.467 -6.178 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.078 4.425 -4.779 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.197 4.526 -6.322 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.570 3.056 -2.254 1.00 0.00 N ATOM 1198 CA GLN A 85 -8.030 3.538 -0.957 1.00 0.00 C ATOM 1199 C GLN A 85 -7.082 4.595 -0.401 1.00 0.00 C ATOM 1200 O GLN A 85 -7.517 5.596 0.169 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.150 2.375 0.029 1.00 0.00 C ATOM 1202 CG GLN A 85 -9.524 1.724 0.037 1.00 0.00 C ATOM 1203 CD GLN A 85 -9.890 1.116 -1.302 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -10.746 1.635 -2.019 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -9.242 0.010 -1.648 1.00 0.00 N ATOM 0 H GLN A 85 -7.681 2.052 -2.395 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.011 3.993 -1.094 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.402 1.622 -0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.922 2.735 1.032 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.550 0.949 0.803 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.272 2.468 0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.540 -0.386 -1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.446 -0.443 -2.539 1.00 0.00 H new ATOM 1214 N LEU A 86 -5.784 4.366 -0.571 1.00 0.00 N ATOM 1215 CA LEU A 86 -4.773 5.299 -0.086 1.00 0.00 C ATOM 1216 C LEU A 86 -4.961 6.679 -0.710 1.00 0.00 C ATOM 1217 O LEU A 86 -5.104 7.675 -0.002 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.372 4.772 -0.399 1.00 0.00 C ATOM 1219 CG LEU A 86 -2.878 3.619 0.475 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -1.553 3.084 -0.046 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -2.742 4.068 1.923 1.00 0.00 C ATOM 0 H LEU A 86 -5.407 3.543 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.887 5.390 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.352 4.447 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.666 5.598 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.613 2.815 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.217 2.264 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.682 2.724 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.809 3.880 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.389 3.235 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.028 4.889 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.711 4.402 2.293 1.00 0.00 H new