USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=21 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 97:sc= 1.53 USER MOD Set 1.2: A 68 CYS SG : rot 115:sc= -0.123 USER MOD Set 1.3: A 73 CYS SG : rot -176:sc= 1.17 USER MOD Set 1.4: A 77 HIS : no HE2:sc= -6.03! C(o=-3.5!,f=-3.1!) USER MOD Set 2.1: A 26 CYS SG : rot 132:sc= 0.248 USER MOD Set 2.2: A 34 CYS SG : rot 145:sc= 0.0659 USER MOD Set 2.3: A 41 CYS SG : rot -150:sc= 0.493 USER MOD Set 2.4: A 45 HIS : no HE2:sc= -1.65 K(o=-0.84,f=-2.3) USER MOD Set 3.1: A 28 GLN : amide:sc= -1.42 K(o=-1.6,f=-5.4!) USER MOD Set 3.2: A 33 THR OG1 : rot -170:sc= -0.199 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0115 X(o=-0.012,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.129 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 -40:sc= -5.36! USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.0519 K(o=-0.052,f=-1.6!) USER MOD Single : A 63 SER OG : rot 100:sc= -0.686 USER MOD Single : A 65 LYS NZ :NH3+ 140:sc= 2.04 (180deg=0.765) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.371 X(o=-0.37,f=-0.37) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.00198 USER MOD Single : A 81 HIS : no HD1:sc= -10.5! C(o=-10!,f=-9.1!) USER MOD Single : A 83 LYS NZ :NH3+ -117:sc= 1.24 (180deg=-0.441) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -4.33! C(o=-4.3!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -1.261 7.056 4.293 1.00 0.00 N ATOM 193 CA LEU A 21 -0.425 5.879 4.085 1.00 0.00 C ATOM 194 C LEU A 21 -0.754 4.791 5.102 1.00 0.00 C ATOM 195 O LEU A 21 0.133 4.077 5.573 1.00 0.00 O ATOM 196 CB LEU A 21 1.055 6.256 4.184 1.00 0.00 C ATOM 197 CG LEU A 21 1.599 7.141 3.063 1.00 0.00 C ATOM 198 CD1 LEU A 21 2.888 7.821 3.497 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.824 6.323 1.799 1.00 0.00 C ATOM 0 HA LEU A 21 -0.628 5.491 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.216 6.767 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.642 5.338 4.212 1.00 0.00 H new ATOM 0 HG LEU A 21 0.861 7.913 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.260 8.447 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.696 8.440 4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.633 7.065 3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.211 6.969 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.542 5.529 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.880 5.884 1.477 1.00 0.00 H new ATOM 211 N THR A 22 -2.035 4.668 5.436 1.00 0.00 N ATOM 212 CA THR A 22 -2.481 3.666 6.396 1.00 0.00 C ATOM 213 C THR A 22 -3.540 2.754 5.787 1.00 0.00 C ATOM 214 O THR A 22 -4.141 3.081 4.763 1.00 0.00 O ATOM 215 CB THR A 22 -3.055 4.323 7.666 1.00 0.00 C ATOM 216 OG1 THR A 22 -3.984 5.352 7.309 1.00 0.00 O ATOM 217 CG2 THR A 22 -1.942 4.911 8.521 1.00 0.00 C ATOM 0 H THR A 22 -2.782 5.250 5.056 1.00 0.00 H new ATOM 0 HA THR A 22 -1.606 3.074 6.665 1.00 0.00 H new ATOM 0 HB THR A 22 -3.569 3.556 8.245 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.345 5.763 8.122 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.371 5.369 9.412 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.253 4.120 8.816 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.403 5.666 7.948 1.00 0.00 H new ATOM 225 N LEU A 23 -3.764 1.609 6.422 1.00 0.00 N ATOM 226 CA LEU A 23 -4.752 0.649 5.943 1.00 0.00 C ATOM 227 C LEU A 23 -5.275 -0.212 7.088 1.00 0.00 C ATOM 228 O LEU A 23 -4.531 -0.559 8.005 1.00 0.00 O ATOM 229 CB LEU A 23 -4.143 -0.240 4.858 1.00 0.00 C ATOM 230 CG LEU A 23 -3.881 0.430 3.509 1.00 0.00 C ATOM 231 CD1 LEU A 23 -3.072 -0.487 2.605 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.193 0.817 2.842 1.00 0.00 C ATOM 0 H LEU A 23 -3.275 1.323 7.270 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.589 1.206 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.200 -0.640 5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.808 -1.089 4.696 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.303 1.338 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.896 0.007 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.117 -0.714 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.623 -1.412 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.987 1.293 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.797 -0.076 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.736 1.512 3.483 1.00 0.00 H new ATOM 244 N GLU A 24 -6.558 -0.555 7.026 1.00 0.00 N ATOM 245 CA GLU A 24 -7.179 -1.377 8.058 1.00 0.00 C ATOM 246 C GLU A 24 -6.744 -2.833 7.928 1.00 0.00 C ATOM 247 O GLU A 24 -7.092 -3.513 6.962 1.00 0.00 O ATOM 248 CB GLU A 24 -8.703 -1.278 7.972 1.00 0.00 C ATOM 249 CG GLU A 24 -9.276 -0.061 8.678 1.00 0.00 C ATOM 250 CD GLU A 24 -10.603 0.382 8.094 1.00 0.00 C ATOM 251 OE1 GLU A 24 -10.798 0.218 6.871 1.00 0.00 O ATOM 252 OE2 GLU A 24 -11.447 0.893 8.860 1.00 0.00 O ATOM 0 H GLU A 24 -7.187 -0.277 6.273 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.853 -1.004 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.998 -1.251 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.142 -2.178 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.407 -0.288 9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.563 0.761 8.614 1.00 0.00 H new ATOM 259 N VAL A 25 -5.981 -3.307 8.908 1.00 0.00 N ATOM 260 CA VAL A 25 -5.498 -4.683 8.904 1.00 0.00 C ATOM 261 C VAL A 25 -6.654 -5.671 9.014 1.00 0.00 C ATOM 262 O VAL A 25 -7.531 -5.526 9.867 1.00 0.00 O ATOM 263 CB VAL A 25 -4.511 -4.935 10.059 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.039 -6.381 10.053 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.330 -3.980 9.967 1.00 0.00 C ATOM 0 H VAL A 25 -5.684 -2.758 9.715 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.982 -4.835 7.956 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.027 -4.751 11.001 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.342 -6.540 10.876 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.896 -7.044 10.170 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.540 -6.597 9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.642 -4.172 10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.813 -4.131 9.020 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.688 -2.952 10.025 1.00 0.00 H new ATOM 275 N CYS A 26 -6.650 -6.677 8.146 1.00 0.00 N ATOM 276 CA CYS A 26 -7.698 -7.691 8.145 1.00 0.00 C ATOM 277 C CYS A 26 -7.878 -8.289 9.537 1.00 0.00 C ATOM 278 O CYS A 26 -7.066 -9.100 9.985 1.00 0.00 O ATOM 279 CB CYS A 26 -7.365 -8.797 7.141 1.00 0.00 C ATOM 280 SG CYS A 26 -8.591 -10.143 7.085 1.00 0.00 S ATOM 0 H CYS A 26 -5.932 -6.812 7.434 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.632 -7.212 7.852 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.278 -8.357 6.147 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.391 -9.217 7.390 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.911 -10.388 5.849 1.00 0.00 H new ATOM 285 N ARG A 27 -8.946 -7.884 10.216 1.00 0.00 N ATOM 286 CA ARG A 27 -9.232 -8.379 11.557 1.00 0.00 C ATOM 287 C ARG A 27 -8.811 -9.839 11.699 1.00 0.00 C ATOM 288 O ARG A 27 -7.986 -10.177 12.547 1.00 0.00 O ATOM 289 CB ARG A 27 -10.722 -8.234 11.871 1.00 0.00 C ATOM 290 CG ARG A 27 -11.629 -8.630 10.717 1.00 0.00 C ATOM 291 CD ARG A 27 -12.907 -7.806 10.705 1.00 0.00 C ATOM 292 NE ARG A 27 -13.896 -8.344 9.775 1.00 0.00 N ATOM 293 CZ ARG A 27 -15.103 -7.818 9.600 1.00 0.00 C ATOM 294 NH1 ARG A 27 -15.467 -6.744 10.287 1.00 0.00 N ATOM 295 NH2 ARG A 27 -15.948 -8.365 8.735 1.00 0.00 N ATOM 0 H ARG A 27 -9.628 -7.214 9.859 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.659 -7.783 12.267 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.963 -8.848 12.739 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -10.928 -7.199 12.145 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.099 -8.496 9.774 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.878 -9.688 10.795 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.330 -7.779 11.709 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.673 -6.778 10.430 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.646 -9.169 9.230 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.820 -6.320 10.951 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -16.394 -6.342 10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.671 -9.190 8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -16.875 -7.960 8.602 1.00 0.00 H new ATOM 309 N GLN A 28 -9.385 -10.699 10.863 1.00 0.00 N ATOM 310 CA GLN A 28 -9.071 -12.122 10.897 1.00 0.00 C ATOM 311 C GLN A 28 -7.564 -12.348 10.835 1.00 0.00 C ATOM 312 O GLN A 28 -6.976 -12.933 11.745 1.00 0.00 O ATOM 313 CB GLN A 28 -9.754 -12.844 9.734 1.00 0.00 C ATOM 314 CG GLN A 28 -11.271 -12.745 9.764 1.00 0.00 C ATOM 315 CD GLN A 28 -11.841 -12.925 11.157 1.00 0.00 C ATOM 316 OE1 GLN A 28 -11.601 -12.111 12.049 1.00 0.00 O ATOM 317 NE2 GLN A 28 -12.601 -13.997 11.351 1.00 0.00 N ATOM 0 H GLN A 28 -10.069 -10.435 10.154 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.443 -12.528 11.837 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.389 -12.428 8.795 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.466 -13.895 9.750 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.576 -11.774 9.374 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.694 -13.501 9.102 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.774 -14.646 10.583 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.012 -14.172 12.268 1.00 0.00 H new ATOM 326 N PHE A 29 -6.943 -11.880 9.757 1.00 0.00 N ATOM 327 CA PHE A 29 -5.504 -12.033 9.577 1.00 0.00 C ATOM 328 C PHE A 29 -4.774 -11.925 10.912 1.00 0.00 C ATOM 329 O PHE A 29 -4.032 -12.827 11.299 1.00 0.00 O ATOM 330 CB PHE A 29 -4.976 -10.974 8.607 1.00 0.00 C ATOM 331 CG PHE A 29 -3.476 -10.905 8.554 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.735 -11.984 8.101 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.808 -9.760 8.957 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.356 -11.923 8.052 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.428 -9.693 8.910 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.701 -10.776 8.456 1.00 0.00 C ATOM 0 H PHE A 29 -7.414 -11.392 8.995 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.318 -13.023 9.161 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.358 -11.185 7.608 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.367 -9.999 8.898 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.241 -12.883 7.782 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.372 -8.910 9.312 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.790 -12.772 7.698 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.919 -8.795 9.228 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.377 -10.726 8.417 1.00 0.00 H new ATOM 346 N GLN A 30 -4.991 -10.815 11.611 1.00 0.00 N ATOM 347 CA GLN A 30 -4.353 -10.589 12.902 1.00 0.00 C ATOM 348 C GLN A 30 -4.400 -11.849 13.761 1.00 0.00 C ATOM 349 O GLN A 30 -3.386 -12.271 14.317 1.00 0.00 O ATOM 350 CB GLN A 30 -5.033 -9.432 13.635 1.00 0.00 C ATOM 351 CG GLN A 30 -4.489 -8.065 13.253 1.00 0.00 C ATOM 352 CD GLN A 30 -3.297 -7.655 14.095 1.00 0.00 C ATOM 353 OE1 GLN A 30 -3.444 -6.975 15.110 1.00 0.00 O ATOM 354 NE2 GLN A 30 -2.106 -8.068 13.676 1.00 0.00 N ATOM 0 H GLN A 30 -5.603 -10.059 11.305 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.309 -10.333 12.723 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.102 -9.459 13.426 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.914 -9.574 14.709 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.201 -8.074 12.202 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.278 -7.321 13.361 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.030 -8.630 12.828 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.267 -7.823 14.202 1.00 0.00 H new ATOM 363 N ARG A 31 -5.583 -12.445 13.864 1.00 0.00 N ATOM 364 CA ARG A 31 -5.763 -13.655 14.656 1.00 0.00 C ATOM 365 C ARG A 31 -5.244 -14.878 13.905 1.00 0.00 C ATOM 366 O ARG A 31 -4.858 -15.875 14.514 1.00 0.00 O ATOM 367 CB ARG A 31 -7.240 -13.847 15.006 1.00 0.00 C ATOM 368 CG ARG A 31 -7.844 -12.675 15.762 1.00 0.00 C ATOM 369 CD ARG A 31 -9.221 -13.017 16.310 1.00 0.00 C ATOM 370 NE ARG A 31 -9.146 -13.926 17.450 1.00 0.00 N ATOM 371 CZ ARG A 31 -10.167 -14.665 17.869 1.00 0.00 C ATOM 372 NH1 ARG A 31 -11.334 -14.604 17.244 1.00 0.00 N ATOM 373 NH2 ARG A 31 -10.020 -15.469 18.915 1.00 0.00 N ATOM 0 H ARG A 31 -6.432 -12.109 13.408 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.190 -13.545 15.577 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.805 -14.006 14.087 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.348 -14.750 15.607 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.185 -12.391 16.582 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.918 -11.813 15.100 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.730 -12.101 16.610 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.822 -13.472 15.523 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.261 -13.997 17.952 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.450 -13.988 16.439 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.116 -15.173 17.568 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.123 -15.519 19.397 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.804 -16.036 19.236 1.00 0.00 H new ATOM 387 N GLY A 32 -5.238 -14.794 12.578 1.00 0.00 N ATOM 388 CA GLY A 32 -4.765 -15.900 11.766 1.00 0.00 C ATOM 389 C GLY A 32 -5.895 -16.786 11.280 1.00 0.00 C ATOM 390 O GLY A 32 -5.707 -17.984 11.067 1.00 0.00 O ATOM 0 H GLY A 32 -5.552 -13.979 12.051 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.219 -15.509 10.908 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.062 -16.498 12.346 1.00 0.00 H new ATOM 394 N THR A 33 -7.073 -16.197 11.103 1.00 0.00 N ATOM 395 CA THR A 33 -8.238 -16.941 10.641 1.00 0.00 C ATOM 396 C THR A 33 -8.667 -16.484 9.252 1.00 0.00 C ATOM 397 O THR A 33 -9.853 -16.494 8.922 1.00 0.00 O ATOM 398 CB THR A 33 -9.426 -16.783 11.610 1.00 0.00 C ATOM 399 OG1 THR A 33 -9.932 -15.445 11.551 1.00 0.00 O ATOM 400 CG2 THR A 33 -9.008 -17.110 13.036 1.00 0.00 C ATOM 0 H THR A 33 -7.246 -15.206 11.273 1.00 0.00 H new ATOM 0 HA THR A 33 -7.947 -17.991 10.602 1.00 0.00 H new ATOM 0 HB THR A 33 -10.208 -17.480 11.308 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.577 -15.307 12.276 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.863 -16.991 13.702 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.651 -18.139 13.084 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.211 -16.434 13.345 1.00 0.00 H new ATOM 408 N CYS A 34 -7.694 -16.085 8.439 1.00 0.00 N ATOM 409 CA CYS A 34 -7.970 -15.624 7.084 1.00 0.00 C ATOM 410 C CYS A 34 -7.271 -16.509 6.056 1.00 0.00 C ATOM 411 O CYS A 34 -6.045 -16.498 5.943 1.00 0.00 O ATOM 412 CB CYS A 34 -7.519 -14.172 6.914 1.00 0.00 C ATOM 413 SG CYS A 34 -7.689 -13.534 5.216 1.00 0.00 S ATOM 0 H CYS A 34 -6.707 -16.072 8.696 1.00 0.00 H new ATOM 0 HA CYS A 34 -9.046 -15.684 6.919 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.099 -13.541 7.587 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.476 -14.089 7.219 1.00 0.00 H new ATOM 0 HG CYS A 34 -8.025 -12.279 5.256 1.00 0.00 H new ATOM 418 N SER A 35 -8.059 -17.274 5.307 1.00 0.00 N ATOM 419 CA SER A 35 -7.516 -18.167 4.291 1.00 0.00 C ATOM 420 C SER A 35 -7.617 -17.538 2.905 1.00 0.00 C ATOM 421 O SER A 35 -7.846 -18.229 1.912 1.00 0.00 O ATOM 422 CB SER A 35 -8.256 -19.506 4.310 1.00 0.00 C ATOM 423 OG SER A 35 -8.162 -20.122 5.583 1.00 0.00 O ATOM 0 H SER A 35 -9.076 -17.293 5.385 1.00 0.00 H new ATOM 0 HA SER A 35 -6.464 -18.338 4.518 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.304 -19.350 4.055 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.838 -20.167 3.551 1.00 0.00 H new ATOM 0 HG SER A 35 -8.644 -20.975 5.570 1.00 0.00 H new ATOM 429 N ARG A 36 -7.444 -16.221 2.845 1.00 0.00 N ATOM 430 CA ARG A 36 -7.517 -15.497 1.582 1.00 0.00 C ATOM 431 C ARG A 36 -6.195 -14.797 1.280 1.00 0.00 C ATOM 432 O ARG A 36 -5.470 -14.398 2.191 1.00 0.00 O ATOM 433 CB ARG A 36 -8.652 -14.472 1.621 1.00 0.00 C ATOM 434 CG ARG A 36 -10.016 -15.085 1.896 1.00 0.00 C ATOM 435 CD ARG A 36 -11.137 -14.215 1.349 1.00 0.00 C ATOM 436 NE ARG A 36 -12.436 -14.582 1.906 1.00 0.00 N ATOM 437 CZ ARG A 36 -13.472 -13.753 1.962 1.00 0.00 C ATOM 438 NH1 ARG A 36 -13.362 -12.516 1.498 1.00 0.00 N ATOM 439 NH2 ARG A 36 -14.622 -14.161 2.484 1.00 0.00 N ATOM 0 H ARG A 36 -7.252 -15.634 3.657 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.716 -16.219 0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.434 -13.730 2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.686 -13.943 0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.069 -16.076 1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.147 -15.217 2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.928 -13.169 1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.169 -14.306 0.263 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.554 -15.527 2.272 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.480 -12.198 1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.160 -11.882 1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.711 -15.112 2.843 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.417 -13.524 2.527 1.00 0.00 H new ATOM 453 N SER A 37 -5.888 -14.652 -0.005 1.00 0.00 N ATOM 454 CA SER A 37 -4.652 -14.004 -0.427 1.00 0.00 C ATOM 455 C SER A 37 -4.807 -12.486 -0.428 1.00 0.00 C ATOM 456 O SER A 37 -5.847 -11.957 -0.036 1.00 0.00 O ATOM 457 CB SER A 37 -4.249 -14.487 -1.822 1.00 0.00 C ATOM 458 OG SER A 37 -2.890 -14.187 -2.092 1.00 0.00 O ATOM 0 H SER A 37 -6.478 -14.975 -0.772 1.00 0.00 H new ATOM 0 HA SER A 37 -3.870 -14.272 0.283 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.410 -15.562 -1.899 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.885 -14.016 -2.571 1.00 0.00 H new ATOM 0 HG SER A 37 -2.656 -14.507 -2.988 1.00 0.00 H new ATOM 464 N ASP A 38 -3.764 -11.792 -0.870 1.00 0.00 N ATOM 465 CA ASP A 38 -3.783 -10.334 -0.923 1.00 0.00 C ATOM 466 C ASP A 38 -4.591 -9.844 -2.120 1.00 0.00 C ATOM 467 O ASP A 38 -5.227 -8.793 -2.063 1.00 0.00 O ATOM 468 CB ASP A 38 -2.357 -9.787 -0.996 1.00 0.00 C ATOM 469 CG ASP A 38 -1.484 -10.293 0.136 1.00 0.00 C ATOM 470 OD1 ASP A 38 -2.037 -10.647 1.198 1.00 0.00 O ATOM 471 OD2 ASP A 38 -0.248 -10.334 -0.040 1.00 0.00 O ATOM 0 H ASP A 38 -2.895 -12.215 -1.197 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.258 -9.968 -0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.911 -10.070 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.387 -8.698 -0.969 1.00 0.00 H new ATOM 476 N GLU A 39 -4.560 -10.614 -3.204 1.00 0.00 N ATOM 477 CA GLU A 39 -5.288 -10.256 -4.415 1.00 0.00 C ATOM 478 C GLU A 39 -6.756 -10.659 -4.307 1.00 0.00 C ATOM 479 O GLU A 39 -7.589 -10.224 -5.101 1.00 0.00 O ATOM 480 CB GLU A 39 -4.653 -10.926 -5.635 1.00 0.00 C ATOM 481 CG GLU A 39 -5.338 -10.579 -6.946 1.00 0.00 C ATOM 482 CD GLU A 39 -6.462 -11.537 -7.290 1.00 0.00 C ATOM 483 OE1 GLU A 39 -6.971 -12.208 -6.367 1.00 0.00 O ATOM 484 OE2 GLU A 39 -6.832 -11.617 -8.479 1.00 0.00 O ATOM 0 H GLU A 39 -4.039 -11.489 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.234 -9.174 -4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.604 -10.634 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.676 -12.007 -5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.735 -9.566 -6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.601 -10.586 -7.749 1.00 0.00 H new ATOM 491 N GLU A 40 -7.063 -11.493 -3.318 1.00 0.00 N ATOM 492 CA GLU A 40 -8.430 -11.955 -3.107 1.00 0.00 C ATOM 493 C GLU A 40 -9.100 -11.176 -1.978 1.00 0.00 C ATOM 494 O GLU A 40 -10.166 -10.589 -2.162 1.00 0.00 O ATOM 495 CB GLU A 40 -8.442 -13.451 -2.785 1.00 0.00 C ATOM 496 CG GLU A 40 -8.205 -14.336 -3.997 1.00 0.00 C ATOM 497 CD GLU A 40 -9.268 -14.162 -5.063 1.00 0.00 C ATOM 498 OE1 GLU A 40 -10.416 -14.599 -4.835 1.00 0.00 O ATOM 499 OE2 GLU A 40 -8.953 -13.589 -6.127 1.00 0.00 O ATOM 0 H GLU A 40 -6.385 -11.862 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.990 -11.783 -4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.676 -13.659 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.402 -13.710 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.228 -14.108 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.180 -15.379 -3.681 1.00 0.00 H new ATOM 506 N CYS A 41 -8.466 -11.175 -0.810 1.00 0.00 N ATOM 507 CA CYS A 41 -8.999 -10.470 0.349 1.00 0.00 C ATOM 508 C CYS A 41 -8.987 -8.961 0.121 1.00 0.00 C ATOM 509 O CYS A 41 -7.999 -8.402 -0.356 1.00 0.00 O ATOM 510 CB CYS A 41 -8.187 -10.814 1.599 1.00 0.00 C ATOM 511 SG CYS A 41 -9.008 -10.372 3.164 1.00 0.00 S ATOM 0 H CYS A 41 -7.582 -11.655 -0.641 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.031 -10.790 0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.978 -11.884 1.600 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.226 -10.301 1.548 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.110 -10.093 4.061 1.00 0.00 H new ATOM 516 N LYS A 42 -10.091 -8.308 0.465 1.00 0.00 N ATOM 517 CA LYS A 42 -10.209 -6.864 0.300 1.00 0.00 C ATOM 518 C LYS A 42 -9.599 -6.129 1.489 1.00 0.00 C ATOM 519 O LYS A 42 -10.060 -5.052 1.869 1.00 0.00 O ATOM 520 CB LYS A 42 -11.678 -6.466 0.140 1.00 0.00 C ATOM 521 CG LYS A 42 -12.547 -6.861 1.321 1.00 0.00 C ATOM 522 CD LYS A 42 -14.022 -6.848 0.957 1.00 0.00 C ATOM 523 CE LYS A 42 -14.652 -5.490 1.227 1.00 0.00 C ATOM 524 NZ LYS A 42 -15.990 -5.362 0.587 1.00 0.00 N ATOM 0 H LYS A 42 -10.918 -8.756 0.860 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.662 -6.581 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.740 -5.387 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.075 -6.929 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.265 -7.856 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.370 -6.175 2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.140 -7.102 -0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.546 -7.613 1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.748 -5.342 2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.995 -4.704 0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.386 -4.423 0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.895 -5.478 -0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.625 -6.096 0.961 1.00 0.00 H new ATOM 538 N PHE A 43 -8.559 -6.716 2.072 1.00 0.00 N ATOM 539 CA PHE A 43 -7.886 -6.116 3.218 1.00 0.00 C ATOM 540 C PHE A 43 -6.373 -6.279 3.106 1.00 0.00 C ATOM 541 O PHE A 43 -5.879 -7.029 2.264 1.00 0.00 O ATOM 542 CB PHE A 43 -8.384 -6.750 4.518 1.00 0.00 C ATOM 543 CG PHE A 43 -9.731 -6.248 4.953 1.00 0.00 C ATOM 544 CD1 PHE A 43 -10.868 -6.559 4.225 1.00 0.00 C ATOM 545 CD2 PHE A 43 -9.859 -5.464 6.088 1.00 0.00 C ATOM 546 CE1 PHE A 43 -12.110 -6.099 4.623 1.00 0.00 C ATOM 547 CE2 PHE A 43 -11.098 -5.002 6.490 1.00 0.00 C ATOM 548 CZ PHE A 43 -12.224 -5.318 5.756 1.00 0.00 C ATOM 0 H PHE A 43 -8.164 -7.607 1.770 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.119 -5.051 3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.432 -7.831 4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.660 -6.555 5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.783 -7.167 3.337 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.982 -5.211 6.665 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.989 -6.350 4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -11.185 -4.394 7.378 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.192 -4.955 6.068 1.00 0.00 H new ATOM 558 N ALA A 44 -5.642 -5.570 3.961 1.00 0.00 N ATOM 559 CA ALA A 44 -4.186 -5.637 3.960 1.00 0.00 C ATOM 560 C ALA A 44 -3.678 -6.558 5.063 1.00 0.00 C ATOM 561 O ALA A 44 -4.137 -6.490 6.204 1.00 0.00 O ATOM 562 CB ALA A 44 -3.594 -4.244 4.118 1.00 0.00 C ATOM 0 H ALA A 44 -6.035 -4.943 4.663 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.866 -6.050 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.506 -4.309 4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.922 -3.613 3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.930 -3.811 5.060 1.00 0.00 H new ATOM 568 N HIS A 45 -2.729 -7.422 4.716 1.00 0.00 N ATOM 569 CA HIS A 45 -2.158 -8.358 5.678 1.00 0.00 C ATOM 570 C HIS A 45 -0.662 -8.113 5.852 1.00 0.00 C ATOM 571 O HIS A 45 0.169 -8.647 5.117 1.00 0.00 O ATOM 572 CB HIS A 45 -2.402 -9.798 5.226 1.00 0.00 C ATOM 573 CG HIS A 45 -3.821 -10.071 4.833 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.187 -11.111 4.005 1.00 0.00 N ATOM 575 CD2 HIS A 45 -4.969 -9.432 5.162 1.00 0.00 C ATOM 576 CE1 HIS A 45 -5.497 -11.099 3.840 1.00 0.00 C ATOM 577 NE2 HIS A 45 -5.996 -10.091 4.531 1.00 0.00 N ATOM 0 H HIS A 45 -2.339 -7.493 3.776 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.648 -8.199 6.638 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.751 -10.020 4.381 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.120 -10.476 6.032 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.546 -11.784 3.585 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.060 -8.566 5.801 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.064 -11.796 3.241 1.00 0.00 H new ATOM 585 N PRO A 46 -0.309 -7.287 6.848 1.00 0.00 N ATOM 586 CA PRO A 46 1.087 -6.952 7.142 1.00 0.00 C ATOM 587 C PRO A 46 1.857 -8.135 7.720 1.00 0.00 C ATOM 588 O PRO A 46 1.418 -8.790 8.665 1.00 0.00 O ATOM 589 CB PRO A 46 0.973 -5.831 8.178 1.00 0.00 C ATOM 590 CG PRO A 46 -0.349 -6.050 8.829 1.00 0.00 C ATOM 591 CD PRO A 46 -1.247 -6.615 7.764 1.00 0.00 C ATOM 0 HA PRO A 46 1.635 -6.667 6.244 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.785 -5.879 8.904 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.024 -4.850 7.707 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.261 -6.738 9.670 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.750 -5.116 9.222 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.973 -7.314 8.180 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.812 -5.832 7.258 1.00 0.00 H new ATOM 599 N PRO A 47 3.034 -8.416 7.140 1.00 0.00 N ATOM 600 CA PRO A 47 3.890 -9.521 7.583 1.00 0.00 C ATOM 601 C PRO A 47 4.514 -9.259 8.949 1.00 0.00 C ATOM 602 O PRO A 47 4.449 -8.146 9.470 1.00 0.00 O ATOM 603 CB PRO A 47 4.973 -9.585 6.503 1.00 0.00 C ATOM 604 CG PRO A 47 5.024 -8.208 5.936 1.00 0.00 C ATOM 605 CD PRO A 47 3.619 -7.678 6.009 1.00 0.00 C ATOM 0 HA PRO A 47 3.330 -10.449 7.700 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.935 -9.876 6.924 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.725 -10.320 5.737 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.709 -7.578 6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.383 -8.223 4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.604 -6.602 6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.072 -7.861 5.084 1.00 0.00 H new ATOM 613 N LYS A 48 5.121 -10.292 9.524 1.00 0.00 N ATOM 614 CA LYS A 48 5.760 -10.174 10.830 1.00 0.00 C ATOM 615 C LYS A 48 6.858 -9.116 10.804 1.00 0.00 C ATOM 616 O LYS A 48 7.010 -8.342 11.749 1.00 0.00 O ATOM 617 CB LYS A 48 6.345 -11.521 11.258 1.00 0.00 C ATOM 618 CG LYS A 48 7.204 -11.442 12.508 1.00 0.00 C ATOM 619 CD LYS A 48 6.354 -11.387 13.766 1.00 0.00 C ATOM 620 CE LYS A 48 7.110 -11.921 14.973 1.00 0.00 C ATOM 621 NZ LYS A 48 8.053 -10.912 15.528 1.00 0.00 N ATOM 0 H LYS A 48 5.184 -11.220 9.106 1.00 0.00 H new ATOM 0 HA LYS A 48 5.002 -9.869 11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.529 -12.223 11.432 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.944 -11.924 10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.865 -12.308 12.552 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.840 -10.558 12.458 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.046 -10.358 13.954 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.445 -11.970 13.618 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.399 -12.217 15.745 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.663 -12.816 14.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.549 -11.315 16.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.747 -10.648 14.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.523 -10.067 15.824 1.00 0.00 H new ATOM 635 N SER A 49 7.621 -9.088 9.716 1.00 0.00 N ATOM 636 CA SER A 49 8.708 -8.126 9.569 1.00 0.00 C ATOM 637 C SER A 49 8.174 -6.697 9.584 1.00 0.00 C ATOM 638 O SER A 49 8.753 -5.813 10.216 1.00 0.00 O ATOM 639 CB SER A 49 9.472 -8.383 8.269 1.00 0.00 C ATOM 640 OG SER A 49 9.938 -9.720 8.207 1.00 0.00 O ATOM 0 H SER A 49 7.507 -9.720 8.924 1.00 0.00 H new ATOM 0 HA SER A 49 9.387 -8.251 10.412 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.824 -8.181 7.416 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.316 -7.697 8.198 1.00 0.00 H new ATOM 0 HG SER A 49 10.421 -9.859 7.366 1.00 0.00 H new ATOM 646 N CYS A 50 7.066 -6.478 8.884 1.00 0.00 N ATOM 647 CA CYS A 50 6.453 -5.157 8.815 1.00 0.00 C ATOM 648 C CYS A 50 5.770 -4.805 10.132 1.00 0.00 C ATOM 649 O CYS A 50 5.083 -5.635 10.727 1.00 0.00 O ATOM 650 CB CYS A 50 5.440 -5.101 7.670 1.00 0.00 C ATOM 651 SG CYS A 50 6.187 -5.087 6.024 1.00 0.00 S ATOM 0 H CYS A 50 6.574 -7.199 8.356 1.00 0.00 H new ATOM 0 HA CYS A 50 7.241 -4.427 8.629 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.773 -5.959 7.747 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.826 -4.208 7.786 1.00 0.00 H new ATOM 0 HG CYS A 50 7.243 -4.330 6.033 1.00 0.00 H new ATOM 657 N GLN A 51 5.965 -3.570 10.583 1.00 0.00 N ATOM 658 CA GLN A 51 5.370 -3.110 11.832 1.00 0.00 C ATOM 659 C GLN A 51 3.860 -2.945 11.687 1.00 0.00 C ATOM 660 O GLN A 51 3.377 -2.402 10.693 1.00 0.00 O ATOM 661 CB GLN A 51 6.000 -1.785 12.264 1.00 0.00 C ATOM 662 CG GLN A 51 5.643 -1.376 13.684 1.00 0.00 C ATOM 663 CD GLN A 51 6.460 -0.197 14.175 1.00 0.00 C ATOM 664 OE1 GLN A 51 7.640 -0.337 14.500 1.00 0.00 O ATOM 665 NE2 GLN A 51 5.836 0.973 14.232 1.00 0.00 N ATOM 0 H GLN A 51 6.530 -2.870 10.102 1.00 0.00 H new ATOM 0 HA GLN A 51 5.564 -3.863 12.596 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.084 -1.863 12.179 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.682 -1.000 11.578 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.584 -1.123 13.730 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.798 -2.223 14.352 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.857 1.043 13.953 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.335 1.802 14.555 1.00 0.00 H new ATOM 674 N VAL A 52 3.120 -3.419 12.684 1.00 0.00 N ATOM 675 CA VAL A 52 1.665 -3.324 12.668 1.00 0.00 C ATOM 676 C VAL A 52 1.166 -2.354 13.734 1.00 0.00 C ATOM 677 O VAL A 52 1.495 -2.489 14.912 1.00 0.00 O ATOM 678 CB VAL A 52 1.010 -4.699 12.894 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.499 -4.558 13.024 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.369 -5.652 11.763 1.00 0.00 C ATOM 0 H VAL A 52 3.504 -3.873 13.513 1.00 0.00 H new ATOM 0 HA VAL A 52 1.383 -2.953 11.683 1.00 0.00 H new ATOM 0 HB VAL A 52 1.393 -5.115 13.826 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.944 -5.540 13.183 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.733 -3.912 13.871 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.903 -4.120 12.111 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.898 -6.619 11.939 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.016 -5.243 10.816 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.451 -5.778 11.723 1.00 0.00 H new ATOM 690 N GLU A 53 0.369 -1.378 13.311 1.00 0.00 N ATOM 691 CA GLU A 53 -0.176 -0.385 14.231 1.00 0.00 C ATOM 692 C GLU A 53 -1.451 -0.899 14.892 1.00 0.00 C ATOM 693 O GLU A 53 -2.088 -1.828 14.399 1.00 0.00 O ATOM 694 CB GLU A 53 -0.462 0.924 13.492 1.00 0.00 C ATOM 695 CG GLU A 53 -0.538 2.134 14.407 1.00 0.00 C ATOM 696 CD GLU A 53 0.789 2.451 15.068 1.00 0.00 C ATOM 697 OE1 GLU A 53 1.157 1.744 16.030 1.00 0.00 O ATOM 698 OE2 GLU A 53 1.460 3.405 14.624 1.00 0.00 O ATOM 0 H GLU A 53 0.086 -1.253 12.339 1.00 0.00 H new ATOM 0 HA GLU A 53 0.566 -0.200 15.008 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.317 1.090 12.748 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.403 0.828 12.951 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.869 2.999 13.832 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.289 1.956 15.176 1.00 0.00 H new ATOM 705 N ASN A 54 -1.818 -0.285 16.013 1.00 0.00 N ATOM 706 CA ASN A 54 -3.016 -0.680 16.744 1.00 0.00 C ATOM 707 C ASN A 54 -4.235 -0.690 15.825 1.00 0.00 C ATOM 708 O ASN A 54 -4.730 0.361 15.423 1.00 0.00 O ATOM 709 CB ASN A 54 -3.258 0.268 17.920 1.00 0.00 C ATOM 710 CG ASN A 54 -2.332 -0.011 19.087 1.00 0.00 C ATOM 711 OD1 ASN A 54 -1.812 -1.118 19.231 1.00 0.00 O ATOM 712 ND2 ASN A 54 -2.122 0.994 19.929 1.00 0.00 N ATOM 0 H ASN A 54 -1.303 0.488 16.434 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.862 -1.689 17.126 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.120 1.297 17.588 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.293 0.176 18.251 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.509 0.865 20.734 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.574 1.895 19.771 1.00 0.00 H new ATOM 719 N GLY A 55 -4.713 -1.887 15.498 1.00 0.00 N ATOM 720 CA GLY A 55 -5.869 -2.012 14.630 1.00 0.00 C ATOM 721 C GLY A 55 -5.655 -1.357 13.280 1.00 0.00 C ATOM 722 O GLY A 55 -6.610 -1.105 12.546 1.00 0.00 O ATOM 0 H GLY A 55 -4.320 -2.772 15.819 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.098 -3.068 14.486 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.734 -1.561 15.116 1.00 0.00 H new ATOM 726 N ARG A 56 -4.397 -1.078 12.953 1.00 0.00 N ATOM 727 CA ARG A 56 -4.060 -0.446 11.683 1.00 0.00 C ATOM 728 C ARG A 56 -2.630 -0.783 11.270 1.00 0.00 C ATOM 729 O ARG A 56 -1.870 -1.365 12.044 1.00 0.00 O ATOM 730 CB ARG A 56 -4.229 1.071 11.785 1.00 0.00 C ATOM 731 CG ARG A 56 -4.631 1.728 10.475 1.00 0.00 C ATOM 732 CD ARG A 56 -5.052 3.175 10.683 1.00 0.00 C ATOM 733 NE ARG A 56 -6.286 3.279 11.457 1.00 0.00 N ATOM 734 CZ ARG A 56 -7.499 3.189 10.923 1.00 0.00 C ATOM 735 NH1 ARG A 56 -7.640 2.992 9.619 1.00 0.00 N ATOM 736 NH2 ARG A 56 -8.574 3.294 11.693 1.00 0.00 N ATOM 0 H ARG A 56 -3.595 -1.280 13.550 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.739 -0.831 10.922 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.983 1.294 12.540 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.293 1.510 12.130 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.796 1.688 9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.452 1.170 10.024 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.256 3.714 11.196 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.190 3.655 9.714 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.212 3.429 12.463 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.816 2.909 9.024 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.573 2.923 9.212 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.470 3.444 12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.505 3.225 11.282 1.00 0.00 H new ATOM 750 N VAL A 57 -2.271 -0.413 10.045 1.00 0.00 N ATOM 751 CA VAL A 57 -0.933 -0.676 9.529 1.00 0.00 C ATOM 752 C VAL A 57 -0.490 0.421 8.566 1.00 0.00 C ATOM 753 O VAL A 57 -1.302 0.971 7.821 1.00 0.00 O ATOM 754 CB VAL A 57 -0.867 -2.035 8.807 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.738 -2.021 7.560 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.573 -2.382 8.457 1.00 0.00 C ATOM 0 H VAL A 57 -2.888 0.070 9.392 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.261 -0.696 10.387 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.250 -2.803 9.479 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.678 -2.990 7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.772 -1.820 7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.389 -1.243 6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.602 -3.345 7.947 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.984 -1.613 7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.166 -2.437 9.370 1.00 0.00 H new ATOM 766 N ILE A 58 0.801 0.732 8.587 1.00 0.00 N ATOM 767 CA ILE A 58 1.352 1.762 7.715 1.00 0.00 C ATOM 768 C ILE A 58 1.880 1.159 6.418 1.00 0.00 C ATOM 769 O ILE A 58 2.706 0.246 6.437 1.00 0.00 O ATOM 770 CB ILE A 58 2.488 2.538 8.407 1.00 0.00 C ATOM 771 CG1 ILE A 58 1.957 3.268 9.643 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.125 3.522 7.438 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.033 3.976 10.436 1.00 0.00 C ATOM 0 H ILE A 58 1.485 0.286 9.198 1.00 0.00 H new ATOM 0 HA ILE A 58 0.539 2.451 7.488 1.00 0.00 H new ATOM 0 HB ILE A 58 3.251 1.828 8.727 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.208 3.996 9.331 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.453 2.550 10.290 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.926 4.063 7.942 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.534 2.980 6.585 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.372 4.230 7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.584 4.471 11.297 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.770 3.250 10.779 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.521 4.718 9.805 1.00 0.00 H new ATOM 785 N ALA A 59 1.400 1.677 5.292 1.00 0.00 N ATOM 786 CA ALA A 59 1.827 1.193 3.985 1.00 0.00 C ATOM 787 C ALA A 59 3.165 1.804 3.583 1.00 0.00 C ATOM 788 O ALA A 59 3.507 2.909 4.007 1.00 0.00 O ATOM 789 CB ALA A 59 0.768 1.500 2.937 1.00 0.00 C ATOM 0 H ALA A 59 0.715 2.432 5.259 1.00 0.00 H new ATOM 0 HA ALA A 59 1.956 0.113 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.100 1.133 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.167 1.010 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.611 2.577 2.883 1.00 0.00 H new ATOM 795 N CYS A 60 3.919 1.080 2.764 1.00 0.00 N ATOM 796 CA CYS A 60 5.221 1.550 2.305 1.00 0.00 C ATOM 797 C CYS A 60 5.065 2.586 1.196 1.00 0.00 C ATOM 798 O CYS A 60 4.080 2.578 0.457 1.00 0.00 O ATOM 799 CB CYS A 60 6.064 0.375 1.805 1.00 0.00 C ATOM 800 SG CYS A 60 7.743 0.837 1.273 1.00 0.00 S ATOM 0 H CYS A 60 3.651 0.164 2.404 1.00 0.00 H new ATOM 0 HA CYS A 60 5.728 2.019 3.148 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.138 -0.369 2.598 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.548 -0.099 0.970 1.00 0.00 H new ATOM 0 HG CYS A 60 8.582 0.611 2.240 1.00 0.00 H new ATOM 805 N PHE A 61 6.044 3.477 1.085 1.00 0.00 N ATOM 806 CA PHE A 61 6.016 4.521 0.066 1.00 0.00 C ATOM 807 C PHE A 61 6.520 3.988 -1.272 1.00 0.00 C ATOM 808 O PHE A 61 5.833 4.086 -2.289 1.00 0.00 O ATOM 809 CB PHE A 61 6.867 5.714 0.506 1.00 0.00 C ATOM 810 CG PHE A 61 6.668 6.937 -0.344 1.00 0.00 C ATOM 811 CD1 PHE A 61 5.394 7.392 -0.639 1.00 0.00 C ATOM 812 CD2 PHE A 61 7.757 7.630 -0.849 1.00 0.00 C ATOM 813 CE1 PHE A 61 5.207 8.517 -1.420 1.00 0.00 C ATOM 814 CE2 PHE A 61 7.577 8.756 -1.630 1.00 0.00 C ATOM 815 CZ PHE A 61 6.301 9.199 -1.917 1.00 0.00 C ATOM 0 H PHE A 61 6.867 3.498 1.688 1.00 0.00 H new ATOM 0 HA PHE A 61 4.983 4.846 -0.058 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.629 5.958 1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.919 5.430 0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.536 6.861 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.757 7.286 -0.630 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.208 8.862 -1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.434 9.289 -2.015 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.158 10.077 -2.529 1.00 0.00 H new ATOM 825 N ASP A 62 7.723 3.426 -1.263 1.00 0.00 N ATOM 826 CA ASP A 62 8.320 2.877 -2.475 1.00 0.00 C ATOM 827 C ASP A 62 7.438 1.782 -3.067 1.00 0.00 C ATOM 828 O ASP A 62 7.133 1.794 -4.260 1.00 0.00 O ATOM 829 CB ASP A 62 9.713 2.321 -2.177 1.00 0.00 C ATOM 830 CG ASP A 62 10.777 3.401 -2.165 1.00 0.00 C ATOM 831 OD1 ASP A 62 10.453 4.548 -1.790 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.933 3.101 -2.530 1.00 0.00 O ATOM 0 H ASP A 62 8.305 3.338 -0.430 1.00 0.00 H new ATOM 0 HA ASP A 62 8.407 3.683 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.701 1.816 -1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.969 1.571 -2.925 1.00 0.00 H new ATOM 837 N SER A 63 7.033 0.836 -2.226 1.00 0.00 N ATOM 838 CA SER A 63 6.190 -0.269 -2.667 1.00 0.00 C ATOM 839 C SER A 63 5.131 0.215 -3.652 1.00 0.00 C ATOM 840 O SER A 63 4.805 -0.474 -4.620 1.00 0.00 O ATOM 841 CB SER A 63 5.518 -0.937 -1.465 1.00 0.00 C ATOM 842 OG SER A 63 4.429 -0.162 -0.995 1.00 0.00 O ATOM 0 H SER A 63 7.275 0.813 -1.235 1.00 0.00 H new ATOM 0 HA SER A 63 6.824 -0.998 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.167 -1.930 -1.746 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.246 -1.070 -0.665 1.00 0.00 H new ATOM 0 HG SER A 63 3.590 -0.537 -1.334 1.00 0.00 H new ATOM 848 N LEU A 64 4.596 1.404 -3.400 1.00 0.00 N ATOM 849 CA LEU A 64 3.573 1.983 -4.264 1.00 0.00 C ATOM 850 C LEU A 64 4.015 1.957 -5.724 1.00 0.00 C ATOM 851 O LEU A 64 3.242 1.596 -6.611 1.00 0.00 O ATOM 852 CB LEU A 64 3.270 3.420 -3.836 1.00 0.00 C ATOM 853 CG LEU A 64 2.644 3.590 -2.452 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.546 5.064 -2.088 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.272 2.934 -2.402 1.00 0.00 C ATOM 0 H LEU A 64 4.854 1.987 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 64 2.668 1.383 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.199 3.990 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.600 3.864 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 64 3.286 3.098 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.098 5.166 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.543 5.504 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.927 5.580 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.842 3.065 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.620 3.396 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.369 1.870 -2.617 1.00 0.00 H new ATOM 867 N LYS A 65 5.264 2.339 -5.965 1.00 0.00 N ATOM 868 CA LYS A 65 5.812 2.357 -7.316 1.00 0.00 C ATOM 869 C LYS A 65 5.918 0.943 -7.879 1.00 0.00 C ATOM 870 O LYS A 65 5.842 0.739 -9.090 1.00 0.00 O ATOM 871 CB LYS A 65 7.189 3.024 -7.322 1.00 0.00 C ATOM 872 CG LYS A 65 7.156 4.492 -6.930 1.00 0.00 C ATOM 873 CD LYS A 65 6.878 4.667 -5.447 1.00 0.00 C ATOM 874 CE LYS A 65 7.347 6.025 -4.948 1.00 0.00 C ATOM 875 NZ LYS A 65 6.671 6.414 -3.680 1.00 0.00 N ATOM 0 H LYS A 65 5.917 2.641 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 65 5.135 2.931 -7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.846 2.488 -6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.624 2.932 -8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.109 4.958 -7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.389 5.007 -7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.809 4.559 -5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.380 3.879 -4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.426 6.002 -4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.151 6.779 -5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.358 6.869 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.899 7.079 -3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.283 5.566 -3.219 1.00 0.00 H new ATOM 889 N GLY A 66 6.093 -0.031 -6.991 1.00 0.00 N ATOM 890 CA GLY A 66 6.205 -1.413 -7.418 1.00 0.00 C ATOM 891 C GLY A 66 7.580 -1.994 -7.149 1.00 0.00 C ATOM 892 O GLY A 66 7.763 -3.211 -7.179 1.00 0.00 O ATOM 0 H GLY A 66 6.159 0.113 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.454 -2.011 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.988 -1.479 -8.484 1.00 0.00 H new ATOM 896 N ARG A 67 8.547 -1.122 -6.886 1.00 0.00 N ATOM 897 CA ARG A 67 9.912 -1.555 -6.613 1.00 0.00 C ATOM 898 C ARG A 67 10.449 -0.897 -5.345 1.00 0.00 C ATOM 899 O ARG A 67 10.696 0.309 -5.316 1.00 0.00 O ATOM 900 CB ARG A 67 10.822 -1.222 -7.797 1.00 0.00 C ATOM 901 CG ARG A 67 10.703 -2.202 -8.952 1.00 0.00 C ATOM 902 CD ARG A 67 11.464 -1.718 -10.176 1.00 0.00 C ATOM 903 NE ARG A 67 12.910 -1.827 -10.000 1.00 0.00 N ATOM 904 CZ ARG A 67 13.768 -1.926 -11.009 1.00 0.00 C ATOM 905 NH1 ARG A 67 13.328 -1.930 -12.260 1.00 0.00 N ATOM 906 NH2 ARG A 67 15.069 -2.021 -10.768 1.00 0.00 N ATOM 0 H ARG A 67 8.411 -0.112 -6.856 1.00 0.00 H new ATOM 0 HA ARG A 67 9.900 -2.635 -6.464 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.585 -0.220 -8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.857 -1.201 -7.454 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.087 -3.175 -8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.652 -2.339 -9.207 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.160 -2.300 -11.046 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.201 -0.680 -10.379 1.00 0.00 H new ATOM 0 HE ARG A 67 13.281 -1.827 -9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.328 -1.857 -12.449 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.989 -2.006 -13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.411 -2.018 -9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.727 -2.097 -11.544 1.00 0.00 H new ATOM 920 N CYS A 68 10.625 -1.696 -4.299 1.00 0.00 N ATOM 921 CA CYS A 68 11.131 -1.193 -3.028 1.00 0.00 C ATOM 922 C CYS A 68 12.619 -1.495 -2.876 1.00 0.00 C ATOM 923 O CYS A 68 13.119 -2.487 -3.405 1.00 0.00 O ATOM 924 CB CYS A 68 10.353 -1.812 -1.865 1.00 0.00 C ATOM 925 SG CYS A 68 10.830 -1.172 -0.227 1.00 0.00 S ATOM 0 H CYS A 68 10.424 -2.696 -4.306 1.00 0.00 H new ATOM 0 HA CYS A 68 10.995 -0.112 -3.014 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.289 -1.633 -2.017 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.499 -2.892 -1.878 1.00 0.00 H new ATOM 0 HG CYS A 68 9.830 -0.526 0.294 1.00 0.00 H new ATOM 930 N SER A 69 13.321 -0.631 -2.150 1.00 0.00 N ATOM 931 CA SER A 69 14.753 -0.802 -1.931 1.00 0.00 C ATOM 932 C SER A 69 15.032 -1.272 -0.507 1.00 0.00 C ATOM 933 O SER A 69 15.710 -2.277 -0.295 1.00 0.00 O ATOM 934 CB SER A 69 15.492 0.510 -2.202 1.00 0.00 C ATOM 935 OG SER A 69 15.543 0.789 -3.591 1.00 0.00 O ATOM 0 H SER A 69 12.922 0.195 -1.703 1.00 0.00 H new ATOM 0 HA SER A 69 15.113 -1.563 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 69 14.992 1.327 -1.682 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.504 0.450 -1.802 1.00 0.00 H new ATOM 0 HG SER A 69 16.019 1.633 -3.738 1.00 0.00 H new ATOM 941 N ARG A 70 14.505 -0.536 0.466 1.00 0.00 N ATOM 942 CA ARG A 70 14.699 -0.875 1.871 1.00 0.00 C ATOM 943 C ARG A 70 14.732 -2.388 2.065 1.00 0.00 C ATOM 944 O ARG A 70 13.784 -3.089 1.713 1.00 0.00 O ATOM 945 CB ARG A 70 13.584 -0.265 2.723 1.00 0.00 C ATOM 946 CG ARG A 70 13.500 1.249 2.622 1.00 0.00 C ATOM 947 CD ARG A 70 12.576 1.828 3.683 1.00 0.00 C ATOM 948 NE ARG A 70 12.763 3.267 3.846 1.00 0.00 N ATOM 949 CZ ARG A 70 13.757 3.804 4.544 1.00 0.00 C ATOM 950 NH1 ARG A 70 14.649 3.026 5.141 1.00 0.00 N ATOM 951 NH2 ARG A 70 13.861 5.123 4.646 1.00 0.00 N ATOM 0 H ARG A 70 13.941 0.299 0.307 1.00 0.00 H new ATOM 0 HA ARG A 70 15.657 -0.464 2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.629 -0.695 2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.741 -0.543 3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.496 1.678 2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.140 1.529 1.632 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.540 1.626 3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.759 1.329 4.634 1.00 0.00 H new ATOM 0 HE ARG A 70 12.094 3.894 3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.573 2.012 5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.411 3.442 5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.177 5.725 4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.625 5.534 5.182 1.00 0.00 H new ATOM 965 N GLU A 71 15.830 -2.884 2.627 1.00 0.00 N ATOM 966 CA GLU A 71 15.986 -4.314 2.866 1.00 0.00 C ATOM 967 C GLU A 71 14.961 -4.811 3.881 1.00 0.00 C ATOM 968 O GLU A 71 14.109 -5.639 3.564 1.00 0.00 O ATOM 969 CB GLU A 71 17.401 -4.618 3.362 1.00 0.00 C ATOM 970 CG GLU A 71 17.862 -6.033 3.055 1.00 0.00 C ATOM 971 CD GLU A 71 18.217 -6.228 1.594 1.00 0.00 C ATOM 972 OE1 GLU A 71 17.457 -5.743 0.729 1.00 0.00 O ATOM 973 OE2 GLU A 71 19.254 -6.864 1.315 1.00 0.00 O ATOM 0 H GLU A 71 16.624 -2.317 2.925 1.00 0.00 H new ATOM 0 HA GLU A 71 15.819 -4.835 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.096 -3.912 2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.442 -4.457 4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.730 -6.270 3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 71 17.075 -6.735 3.330 1.00 0.00 H new ATOM 980 N ASN A 72 15.052 -4.298 5.104 1.00 0.00 N ATOM 981 CA ASN A 72 14.134 -4.690 6.167 1.00 0.00 C ATOM 982 C ASN A 72 12.969 -3.710 6.269 1.00 0.00 C ATOM 983 O ASN A 72 12.519 -3.375 7.365 1.00 0.00 O ATOM 984 CB ASN A 72 14.872 -4.763 7.505 1.00 0.00 C ATOM 985 CG ASN A 72 15.876 -3.640 7.674 1.00 0.00 C ATOM 986 OD1 ASN A 72 15.512 -2.510 8.001 1.00 0.00 O ATOM 987 ND2 ASN A 72 17.149 -3.946 7.451 1.00 0.00 N ATOM 0 H ASN A 72 15.752 -3.610 5.383 1.00 0.00 H new ATOM 0 HA ASN A 72 13.736 -5.675 5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.148 -4.725 8.319 1.00 0.00 H new ATOM 0 HB3 ASN A 72 15.386 -5.721 7.581 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.870 -3.231 7.549 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.406 -4.896 7.182 1.00 0.00 H new ATOM 994 N CYS A 73 12.485 -3.254 5.119 1.00 0.00 N ATOM 995 CA CYS A 73 11.372 -2.312 5.077 1.00 0.00 C ATOM 996 C CYS A 73 10.336 -2.647 6.145 1.00 0.00 C ATOM 997 O CYS A 73 9.706 -3.704 6.106 1.00 0.00 O ATOM 998 CB CYS A 73 10.718 -2.325 3.694 1.00 0.00 C ATOM 999 SG CYS A 73 9.610 -0.913 3.382 1.00 0.00 S ATOM 0 H CYS A 73 12.846 -3.521 4.203 1.00 0.00 H new ATOM 0 HA CYS A 73 11.764 -1.315 5.277 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.500 -2.334 2.934 1.00 0.00 H new ATOM 0 HB3 CYS A 73 10.152 -3.249 3.580 1.00 0.00 H new ATOM 0 HG CYS A 73 9.037 -1.059 2.224 1.00 0.00 H new ATOM 1004 N LYS A 74 10.163 -1.738 7.099 1.00 0.00 N ATOM 1005 CA LYS A 74 9.202 -1.935 8.178 1.00 0.00 C ATOM 1006 C LYS A 74 7.816 -1.447 7.768 1.00 0.00 C ATOM 1007 O LYS A 74 7.068 -0.913 8.586 1.00 0.00 O ATOM 1008 CB LYS A 74 9.661 -1.197 9.438 1.00 0.00 C ATOM 1009 CG LYS A 74 9.675 0.314 9.287 1.00 0.00 C ATOM 1010 CD LYS A 74 10.661 0.961 10.245 1.00 0.00 C ATOM 1011 CE LYS A 74 10.457 2.467 10.322 1.00 0.00 C ATOM 1012 NZ LYS A 74 11.720 3.181 10.660 1.00 0.00 N ATOM 0 H LYS A 74 10.676 -0.858 7.147 1.00 0.00 H new ATOM 0 HA LYS A 74 9.145 -3.003 8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.004 -1.465 10.265 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.662 -1.536 9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.937 0.576 8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.676 0.708 9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.545 0.526 11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.679 0.747 9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.078 2.832 9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.700 2.693 11.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.539 4.204 10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.069 2.852 11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.435 2.986 9.930 1.00 0.00 H new ATOM 1026 N TYR A 75 7.480 -1.637 6.496 1.00 0.00 N ATOM 1027 CA TYR A 75 6.184 -1.215 5.978 1.00 0.00 C ATOM 1028 C TYR A 75 5.607 -2.266 5.034 1.00 0.00 C ATOM 1029 O TYR A 75 6.327 -2.853 4.224 1.00 0.00 O ATOM 1030 CB TYR A 75 6.313 0.124 5.250 1.00 0.00 C ATOM 1031 CG TYR A 75 6.857 1.235 6.119 1.00 0.00 C ATOM 1032 CD1 TYR A 75 6.123 1.728 7.191 1.00 0.00 C ATOM 1033 CD2 TYR A 75 8.105 1.792 5.869 1.00 0.00 C ATOM 1034 CE1 TYR A 75 6.615 2.744 7.987 1.00 0.00 C ATOM 1035 CE2 TYR A 75 8.606 2.807 6.661 1.00 0.00 C ATOM 1036 CZ TYR A 75 7.857 3.280 7.718 1.00 0.00 C ATOM 1037 OH TYR A 75 8.352 4.291 8.510 1.00 0.00 O ATOM 0 H TYR A 75 8.087 -2.080 5.806 1.00 0.00 H new ATOM 0 HA TYR A 75 5.505 -1.098 6.822 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.965 -0.003 4.386 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.334 0.417 4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.151 1.309 7.406 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.694 1.425 5.041 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.031 3.117 8.815 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.579 3.228 6.454 1.00 0.00 H new ATOM 0 HH TYR A 75 9.239 4.555 8.187 1.00 0.00 H new ATOM 1047 N LEU A 76 4.304 -2.499 5.143 1.00 0.00 N ATOM 1048 CA LEU A 76 3.628 -3.478 4.300 1.00 0.00 C ATOM 1049 C LEU A 76 3.407 -2.927 2.895 1.00 0.00 C ATOM 1050 O LEU A 76 3.322 -1.714 2.699 1.00 0.00 O ATOM 1051 CB LEU A 76 2.288 -3.877 4.921 1.00 0.00 C ATOM 1052 CG LEU A 76 1.270 -4.509 3.971 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.602 -5.973 3.729 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.139 -4.364 4.527 1.00 0.00 C ATOM 0 H LEU A 76 3.694 -2.023 5.808 1.00 0.00 H new ATOM 0 HA LEU A 76 4.265 -4.360 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.481 -4.578 5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.838 -2.990 5.366 1.00 0.00 H new ATOM 0 HG LEU A 76 1.318 -3.985 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.867 -6.406 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.595 -6.053 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.583 -6.512 4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.851 -4.819 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.201 -4.862 5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.376 -3.307 4.647 1.00 0.00 H new ATOM 1066 N HIS A 77 3.312 -3.826 1.920 1.00 0.00 N ATOM 1067 CA HIS A 77 3.097 -3.429 0.533 1.00 0.00 C ATOM 1068 C HIS A 77 1.692 -3.806 0.071 1.00 0.00 C ATOM 1069 O HIS A 77 1.420 -4.949 -0.299 1.00 0.00 O ATOM 1070 CB HIS A 77 4.138 -4.085 -0.374 1.00 0.00 C ATOM 1071 CG HIS A 77 5.543 -3.657 -0.080 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.574 -3.787 -0.986 1.00 0.00 N ATOM 1073 CD2 HIS A 77 6.085 -3.097 1.027 1.00 0.00 C ATOM 1074 CE1 HIS A 77 7.690 -3.327 -0.449 1.00 0.00 C ATOM 1075 NE2 HIS A 77 7.420 -2.902 0.773 1.00 0.00 N ATOM 0 H HIS A 77 3.380 -4.833 2.065 1.00 0.00 H new ATOM 0 HA HIS A 77 3.202 -2.346 0.470 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.068 -5.168 -0.270 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.904 -3.848 -1.412 1.00 0.00 H new ATOM 0 HD1 HIS A 77 6.489 -4.177 -1.924 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.564 -2.850 1.940 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.658 -3.302 -0.927 1.00 0.00 H new ATOM 1083 N PRO A 78 0.778 -2.826 0.093 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.614 -3.031 -0.319 1.00 0.00 C ATOM 1085 C PRO A 78 -0.745 -3.254 -1.822 1.00 0.00 C ATOM 1086 O PRO A 78 0.028 -2.727 -2.622 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.302 -1.727 0.090 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.212 -0.710 0.098 1.00 0.00 C ATOM 1089 CD PRO A 78 1.032 -1.440 0.523 1.00 0.00 C ATOM 0 HA PRO A 78 -1.049 -3.919 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.090 -1.457 -0.613 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.768 -1.816 1.071 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.086 -0.266 -0.889 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.442 0.103 0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.922 -1.028 0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.188 -1.375 1.600 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.748 -4.052 -2.217 1.00 0.00 N ATOM 1098 CA PRO A 79 -2.005 -4.362 -3.627 1.00 0.00 C ATOM 1099 C PRO A 79 -2.531 -3.156 -4.399 1.00 0.00 C ATOM 1100 O PRO A 79 -2.846 -2.120 -3.813 1.00 0.00 O ATOM 1101 CB PRO A 79 -3.070 -5.460 -3.560 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.758 -5.242 -2.257 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.708 -4.714 -1.318 1.00 0.00 C ATOM 0 HA PRO A 79 -1.097 -4.661 -4.151 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.768 -5.385 -4.394 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.620 -6.452 -3.609 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.579 -4.533 -2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.186 -6.171 -1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.130 -4.015 -0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.238 -5.516 -0.749 1.00 0.00 H new ATOM 1111 N THR A 80 -2.624 -3.298 -5.717 1.00 0.00 N ATOM 1112 CA THR A 80 -3.111 -2.220 -6.569 1.00 0.00 C ATOM 1113 C THR A 80 -4.535 -1.825 -6.196 1.00 0.00 C ATOM 1114 O THR A 80 -4.789 -0.692 -5.788 1.00 0.00 O ATOM 1115 CB THR A 80 -3.073 -2.620 -8.056 1.00 0.00 C ATOM 1116 OG1 THR A 80 -1.860 -3.324 -8.344 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.177 -1.392 -8.949 1.00 0.00 C ATOM 0 H THR A 80 -2.369 -4.149 -6.218 1.00 0.00 H new ATOM 0 HA THR A 80 -2.449 -1.369 -6.412 1.00 0.00 H new ATOM 0 HB THR A 80 -3.925 -3.269 -8.257 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.845 -3.576 -9.291 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.148 -1.699 -9.995 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.115 -0.875 -8.749 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.342 -0.722 -8.744 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.462 -2.768 -6.338 1.00 0.00 N ATOM 1126 CA HIS A 81 -6.862 -2.518 -6.014 1.00 0.00 C ATOM 1127 C HIS A 81 -6.987 -1.728 -4.715 1.00 0.00 C ATOM 1128 O HIS A 81 -7.974 -1.024 -4.497 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.624 -3.838 -5.897 1.00 0.00 C ATOM 1130 CG HIS A 81 -7.112 -4.730 -4.808 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -6.087 -5.633 -4.995 1.00 0.00 N ATOM 1132 CD2 HIS A 81 -7.488 -4.854 -3.514 1.00 0.00 C ATOM 1133 CE1 HIS A 81 -5.856 -6.275 -3.863 1.00 0.00 C ATOM 1134 NE2 HIS A 81 -6.693 -5.820 -2.949 1.00 0.00 N ATOM 0 H HIS A 81 -5.269 -3.711 -6.675 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.296 -1.927 -6.821 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.678 -3.625 -5.716 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.565 -4.368 -6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.269 -4.296 -3.018 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.110 -7.041 -3.712 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -6.741 -6.135 -1.980 1.00 0.00 H new ATOM 1142 N LEU A 82 -5.981 -1.849 -3.856 1.00 0.00 N ATOM 1143 CA LEU A 82 -5.978 -1.147 -2.577 1.00 0.00 C ATOM 1144 C LEU A 82 -5.248 0.188 -2.691 1.00 0.00 C ATOM 1145 O LEU A 82 -5.665 1.188 -2.106 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.320 -2.011 -1.500 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.193 -3.112 -0.897 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.463 -3.807 0.242 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.517 -2.538 -0.413 1.00 0.00 C ATOM 0 H LEU A 82 -5.157 -2.427 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.013 -0.952 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.430 -2.474 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.984 -1.359 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.402 -3.850 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.099 -4.588 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.542 -4.252 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.224 -3.080 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.125 -3.336 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.329 -1.780 0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.046 -2.087 -1.252 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.158 0.197 -3.450 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.371 1.409 -3.644 1.00 0.00 C ATOM 1163 C LYS A 83 -4.276 2.623 -3.824 1.00 0.00 C ATOM 1164 O LYS A 83 -4.040 3.680 -3.238 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.455 1.258 -4.861 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.105 0.643 -4.533 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.054 1.025 -5.562 1.00 0.00 C ATOM 1168 CE LYS A 83 -0.137 0.143 -6.798 1.00 0.00 C ATOM 1169 NZ LYS A 83 1.138 0.143 -7.567 1.00 0.00 N ATOM 0 H LYS A 83 -3.799 -0.622 -3.941 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.761 1.562 -2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.955 0.640 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.299 2.238 -5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.785 0.972 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.199 -0.442 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.186 2.068 -5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.938 0.940 -5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.381 -0.877 -6.501 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.947 0.491 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.974 0.547 -8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.847 0.715 -7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.485 -0.833 -7.663 1.00 0.00 H new ATOM 1183 N THR A 84 -5.316 2.465 -4.638 1.00 0.00 N ATOM 1184 CA THR A 84 -6.257 3.547 -4.896 1.00 0.00 C ATOM 1185 C THR A 84 -6.794 4.130 -3.593 1.00 0.00 C ATOM 1186 O THR A 84 -6.723 5.337 -3.368 1.00 0.00 O ATOM 1187 CB THR A 84 -7.441 3.069 -5.758 1.00 0.00 C ATOM 1188 OG1 THR A 84 -6.956 2.421 -6.939 1.00 0.00 O ATOM 1189 CG2 THR A 84 -8.334 4.238 -6.145 1.00 0.00 C ATOM 0 H THR A 84 -5.527 1.597 -5.130 1.00 0.00 H new ATOM 0 HA THR A 84 -5.711 4.318 -5.439 1.00 0.00 H new ATOM 0 HB THR A 84 -8.028 2.362 -5.171 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.714 2.118 -7.481 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.163 3.877 -6.753 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.724 4.712 -5.244 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.755 4.965 -6.715 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.330 3.263 -2.740 1.00 0.00 N ATOM 1198 CA GLN A 85 -7.879 3.694 -1.459 1.00 0.00 C ATOM 1199 C GLN A 85 -6.959 4.706 -0.785 1.00 0.00 C ATOM 1200 O GLN A 85 -7.402 5.771 -0.352 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.092 2.489 -0.541 1.00 0.00 C ATOM 1202 CG GLN A 85 -9.379 1.730 -0.821 1.00 0.00 C ATOM 1203 CD GLN A 85 -9.232 0.729 -1.950 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -9.028 1.104 -3.105 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -9.335 -0.554 -1.621 1.00 0.00 N ATOM 0 H GLN A 85 -7.396 2.260 -2.912 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.840 4.173 -1.647 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.248 1.808 -0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.098 2.829 0.495 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.693 1.209 0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.168 2.440 -1.070 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.504 -0.820 -0.651 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.245 -1.273 -2.338 1.00 0.00 H new ATOM 1214 N LEU A 86 -5.678 4.367 -0.699 1.00 0.00 N ATOM 1215 CA LEU A 86 -4.694 5.247 -0.077 1.00 0.00 C ATOM 1216 C LEU A 86 -4.788 6.658 -0.647 1.00 0.00 C ATOM 1217 O LEU A 86 -4.732 7.641 0.092 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.283 4.693 -0.284 1.00 0.00 C ATOM 1219 CG LEU A 86 -2.919 3.457 0.539 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -1.598 2.870 0.066 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -2.852 3.802 2.020 1.00 0.00 C ATOM 0 H LEU A 86 -5.296 3.490 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.907 5.292 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.161 4.451 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.567 5.482 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.698 2.708 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.356 1.991 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.682 2.584 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.809 3.613 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.592 2.910 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.095 4.569 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.822 4.174 2.351 1.00 0.00 H new