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 125:sc= 0.953 USER MOD Set 1.2: A 68 CYS SG : rot 116:sc= -0.286 USER MOD Set 1.3: A 73 CYS SG : rot -128:sc= 0.538 USER MOD Set 1.4: A 77 HIS :FLIP no HE2:sc= -6.29! C(o=-5.6!,f=-5.1!) USER MOD Set 2.1: A 26 CYS SG : rot 136:sc= 0.366 USER MOD Set 2.2: A 34 CYS SG : rot -148:sc= 0.788 USER MOD Set 2.3: A 41 CYS SG : rot 148:sc= -0.108 USER MOD Set 2.4: A 45 HIS :FLIP no HD1:sc= -0.307 F(o=-1.1,f=0.74) USER MOD Set 3.1: A 28 GLN : amide:sc= 0.801 K(o=2,f=-0.4) USER MOD Set 3.2: A 33 THR OG1 : rot 113:sc= 1.2 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -42:sc= 0.814 USER MOD Single : A 37 SER OG : rot 180:sc= -0.115 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= -0.0201 USER MOD Single : A 50 CYS SG : rot 50:sc= -5.88! USER MOD Single : A 51 GLN : amide:sc= -1.25! C(o=-1.2!,f=-6.7!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot -51:sc= -0.0184 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.179 USER MOD Single : A 72 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.29) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS :FLIP no HD1:sc= -9.73! C(o=-12!,f=-9.7!) USER MOD Single : A 83 LYS NZ :NH3+ 147:sc= 0.779 (180deg=0.0684) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -1.140 7.402 4.518 1.00 0.00 N ATOM 193 CA LEU A 21 -0.500 6.212 3.968 1.00 0.00 C ATOM 194 C LEU A 21 -0.670 5.021 4.905 1.00 0.00 C ATOM 195 O LEU A 21 0.229 4.190 5.041 1.00 0.00 O ATOM 196 CB LEU A 21 0.987 6.475 3.724 1.00 0.00 C ATOM 197 CG LEU A 21 1.317 7.508 2.645 1.00 0.00 C ATOM 198 CD1 LEU A 21 2.732 8.035 2.826 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.145 6.904 1.259 1.00 0.00 C ATOM 0 HA LEU A 21 -0.981 5.976 3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.436 6.802 4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.463 5.532 3.454 1.00 0.00 H new ATOM 0 HG LEU A 21 0.624 8.344 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.949 8.769 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.823 8.505 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.440 7.209 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.384 7.653 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.814 6.051 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.114 6.575 1.131 1.00 0.00 H new ATOM 211 N THR A 22 -1.830 4.942 5.550 1.00 0.00 N ATOM 212 CA THR A 22 -2.118 3.852 6.474 1.00 0.00 C ATOM 213 C THR A 22 -3.397 3.121 6.079 1.00 0.00 C ATOM 214 O THR A 22 -4.392 3.746 5.710 1.00 0.00 O ATOM 215 CB THR A 22 -2.258 4.363 7.920 1.00 0.00 C ATOM 216 OG1 THR A 22 -1.374 5.469 8.136 1.00 0.00 O ATOM 217 CG2 THR A 22 -1.948 3.257 8.917 1.00 0.00 C ATOM 0 H THR A 22 -2.585 5.620 5.449 1.00 0.00 H new ATOM 0 HA THR A 22 -1.276 3.162 6.421 1.00 0.00 H new ATOM 0 HB THR A 22 -3.288 4.687 8.070 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.470 5.789 9.057 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.053 3.642 9.931 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.641 2.429 8.769 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.927 2.907 8.766 1.00 0.00 H new ATOM 225 N LEU A 23 -3.364 1.796 6.161 1.00 0.00 N ATOM 226 CA LEU A 23 -4.522 0.979 5.813 1.00 0.00 C ATOM 227 C LEU A 23 -4.993 0.163 7.013 1.00 0.00 C ATOM 228 O LEU A 23 -4.265 0.006 7.992 1.00 0.00 O ATOM 229 CB LEU A 23 -4.181 0.046 4.650 1.00 0.00 C ATOM 230 CG LEU A 23 -4.084 0.700 3.271 1.00 0.00 C ATOM 231 CD1 LEU A 23 -3.401 -0.234 2.284 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.465 1.093 2.768 1.00 0.00 C ATOM 0 H LEU A 23 -2.549 1.264 6.465 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.329 1.646 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.230 -0.440 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.937 -0.738 4.606 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.482 1.604 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.341 0.248 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.396 -0.465 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.976 -1.156 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.376 1.557 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.092 0.204 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.918 1.800 3.463 1.00 0.00 H new ATOM 244 N GLU A 24 -6.214 -0.354 6.927 1.00 0.00 N ATOM 245 CA GLU A 24 -6.781 -1.155 8.006 1.00 0.00 C ATOM 246 C GLU A 24 -6.318 -2.606 7.908 1.00 0.00 C ATOM 247 O GLU A 24 -6.195 -3.157 6.814 1.00 0.00 O ATOM 248 CB GLU A 24 -8.310 -1.092 7.969 1.00 0.00 C ATOM 249 CG GLU A 24 -8.880 0.197 8.536 1.00 0.00 C ATOM 250 CD GLU A 24 -10.302 0.457 8.079 1.00 0.00 C ATOM 251 OE1 GLU A 24 -11.227 -0.170 8.637 1.00 0.00 O ATOM 252 OE2 GLU A 24 -10.490 1.286 7.165 1.00 0.00 O ATOM 0 H GLU A 24 -6.829 -0.233 6.123 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.430 -0.743 8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.645 -1.205 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.714 -1.935 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.855 0.153 9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.247 1.032 8.236 1.00 0.00 H new ATOM 259 N VAL A 25 -6.063 -3.219 9.059 1.00 0.00 N ATOM 260 CA VAL A 25 -5.614 -4.605 9.104 1.00 0.00 C ATOM 261 C VAL A 25 -6.797 -5.566 9.093 1.00 0.00 C ATOM 262 O VAL A 25 -7.839 -5.293 9.690 1.00 0.00 O ATOM 263 CB VAL A 25 -4.757 -4.877 10.355 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.358 -6.344 10.420 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.529 -3.980 10.364 1.00 0.00 C ATOM 0 H VAL A 25 -6.160 -2.777 9.973 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.007 -4.770 8.214 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.352 -4.648 11.239 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.753 -6.517 11.310 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.254 -6.963 10.464 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.781 -6.604 9.533 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.935 -4.185 11.255 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.929 -4.175 9.475 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.841 -2.936 10.369 1.00 0.00 H new ATOM 275 N CYS A 26 -6.630 -6.694 8.411 1.00 0.00 N ATOM 276 CA CYS A 26 -7.684 -7.698 8.321 1.00 0.00 C ATOM 277 C CYS A 26 -7.894 -8.387 9.666 1.00 0.00 C ATOM 278 O CYS A 26 -7.085 -9.215 10.085 1.00 0.00 O ATOM 279 CB CYS A 26 -7.338 -8.736 7.252 1.00 0.00 C ATOM 280 SG CYS A 26 -8.535 -10.104 7.130 1.00 0.00 S ATOM 0 H CYS A 26 -5.774 -6.936 7.912 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.609 -7.194 8.042 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.272 -8.238 6.285 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.352 -9.148 7.466 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.799 -10.340 5.879 1.00 0.00 H new ATOM 285 N ARG A 27 -8.987 -8.039 10.339 1.00 0.00 N ATOM 286 CA ARG A 27 -9.304 -8.623 11.636 1.00 0.00 C ATOM 287 C ARG A 27 -8.891 -10.091 11.688 1.00 0.00 C ATOM 288 O ARG A 27 -8.028 -10.475 12.477 1.00 0.00 O ATOM 289 CB ARG A 27 -10.800 -8.493 11.926 1.00 0.00 C ATOM 290 CG ARG A 27 -11.132 -8.445 13.408 1.00 0.00 C ATOM 291 CD ARG A 27 -10.842 -7.074 14.000 1.00 0.00 C ATOM 292 NE ARG A 27 -11.981 -6.170 13.871 1.00 0.00 N ATOM 293 CZ ARG A 27 -13.036 -6.197 14.678 1.00 0.00 C ATOM 294 NH1 ARG A 27 -13.095 -7.077 15.668 1.00 0.00 N ATOM 295 NH2 ARG A 27 -14.033 -5.341 14.497 1.00 0.00 N ATOM 0 H ARG A 27 -9.667 -7.355 10.007 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.744 -8.079 12.397 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.177 -7.588 11.449 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.324 -9.334 11.472 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.184 -8.691 13.554 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.551 -9.201 13.937 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.582 -7.182 15.053 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.976 -6.639 13.501 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.966 -5.480 13.120 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.329 -7.735 15.811 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.906 -7.096 16.286 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.990 -4.661 13.738 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.843 -5.363 15.117 1.00 0.00 H new ATOM 309 N GLN A 28 -9.512 -10.905 10.841 1.00 0.00 N ATOM 310 CA GLN A 28 -9.209 -12.331 10.791 1.00 0.00 C ATOM 311 C GLN A 28 -7.703 -12.566 10.754 1.00 0.00 C ATOM 312 O GLN A 28 -7.141 -13.199 11.648 1.00 0.00 O ATOM 313 CB GLN A 28 -9.868 -12.971 9.568 1.00 0.00 C ATOM 314 CG GLN A 28 -11.379 -13.090 9.683 1.00 0.00 C ATOM 315 CD GLN A 28 -11.937 -14.243 8.872 1.00 0.00 C ATOM 316 OE1 GLN A 28 -12.076 -15.359 9.372 1.00 0.00 O ATOM 317 NE2 GLN A 28 -12.261 -13.978 7.612 1.00 0.00 N ATOM 0 H GLN A 28 -10.228 -10.602 10.180 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.608 -12.794 11.693 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.625 -12.381 8.684 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.444 -13.964 9.415 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.651 -13.223 10.730 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.839 -12.160 9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.129 -13.038 7.238 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.642 -14.714 7.018 1.00 0.00 H new ATOM 326 N PHE A 29 -7.054 -12.054 9.714 1.00 0.00 N ATOM 327 CA PHE A 29 -5.613 -12.209 9.559 1.00 0.00 C ATOM 328 C PHE A 29 -4.912 -12.158 10.914 1.00 0.00 C ATOM 329 O PHE A 29 -4.083 -13.011 11.227 1.00 0.00 O ATOM 330 CB PHE A 29 -5.056 -11.118 8.642 1.00 0.00 C ATOM 331 CG PHE A 29 -3.557 -11.021 8.668 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.773 -12.102 8.299 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.933 -9.848 9.060 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.394 -12.015 8.323 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.554 -9.755 9.085 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.784 -10.840 8.715 1.00 0.00 C ATOM 0 H PHE A 29 -7.504 -11.528 8.965 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.424 -13.183 9.108 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.382 -11.312 7.620 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.479 -10.157 8.935 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.245 -13.023 7.989 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.531 -8.996 9.349 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.794 -12.866 8.035 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.080 -8.835 9.393 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.294 -10.770 8.732 1.00 0.00 H new ATOM 346 N GLN A 30 -5.252 -11.150 11.711 1.00 0.00 N ATOM 347 CA GLN A 30 -4.654 -10.986 13.031 1.00 0.00 C ATOM 348 C GLN A 30 -4.754 -12.276 13.838 1.00 0.00 C ATOM 349 O GLN A 30 -3.741 -12.845 14.246 1.00 0.00 O ATOM 350 CB GLN A 30 -5.338 -9.844 13.785 1.00 0.00 C ATOM 351 CG GLN A 30 -5.200 -8.494 13.100 1.00 0.00 C ATOM 352 CD GLN A 30 -5.197 -7.339 14.082 1.00 0.00 C ATOM 353 OE1 GLN A 30 -6.216 -7.033 14.702 1.00 0.00 O ATOM 354 NE2 GLN A 30 -4.048 -6.690 14.229 1.00 0.00 N ATOM 0 H GLN A 30 -5.937 -10.435 11.466 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.600 -10.744 12.897 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.397 -10.078 13.899 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.916 -9.778 14.788 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.276 -8.477 12.522 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.020 -8.364 12.394 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.228 -6.978 13.695 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.985 -5.904 14.876 1.00 0.00 H new ATOM 363 N ARG A 31 -5.982 -12.733 14.064 1.00 0.00 N ATOM 364 CA ARG A 31 -6.214 -13.955 14.824 1.00 0.00 C ATOM 365 C ARG A 31 -5.660 -15.169 14.083 1.00 0.00 C ATOM 366 O ARG A 31 -5.340 -16.188 14.693 1.00 0.00 O ATOM 367 CB ARG A 31 -7.710 -14.142 15.085 1.00 0.00 C ATOM 368 CG ARG A 31 -8.337 -13.004 15.873 1.00 0.00 C ATOM 369 CD ARG A 31 -9.743 -13.355 16.334 1.00 0.00 C ATOM 370 NE ARG A 31 -9.736 -14.132 17.571 1.00 0.00 N ATOM 371 CZ ARG A 31 -10.823 -14.369 18.297 1.00 0.00 C ATOM 372 NH1 ARG A 31 -11.998 -13.891 17.911 1.00 0.00 N ATOM 373 NH2 ARG A 31 -10.736 -15.085 19.410 1.00 0.00 N ATOM 0 H ARG A 31 -6.831 -12.275 13.732 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.694 -13.865 15.778 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.227 -14.240 14.131 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.862 -15.075 15.627 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.716 -12.774 16.739 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.369 -12.106 15.255 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.314 -12.439 16.485 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.250 -13.922 15.553 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.847 -14.514 17.895 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.068 -13.340 17.055 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.832 -14.074 18.470 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.834 -15.454 19.710 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.571 -15.266 19.966 1.00 0.00 H new ATOM 387 N GLY A 32 -5.551 -15.052 12.763 1.00 0.00 N ATOM 388 CA GLY A 32 -5.037 -16.146 11.961 1.00 0.00 C ATOM 389 C GLY A 32 -6.141 -16.995 11.363 1.00 0.00 C ATOM 390 O GLY A 32 -5.968 -18.196 11.154 1.00 0.00 O ATOM 0 H GLY A 32 -5.810 -14.219 12.235 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.417 -15.745 11.159 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.394 -16.774 12.578 1.00 0.00 H new ATOM 394 N THR A 33 -7.281 -16.370 11.086 1.00 0.00 N ATOM 395 CA THR A 33 -8.419 -17.076 10.510 1.00 0.00 C ATOM 396 C THR A 33 -8.706 -16.593 9.093 1.00 0.00 C ATOM 397 O THR A 33 -9.850 -16.621 8.637 1.00 0.00 O ATOM 398 CB THR A 33 -9.685 -16.894 11.369 1.00 0.00 C ATOM 399 OG1 THR A 33 -10.159 -15.547 11.264 1.00 0.00 O ATOM 400 CG2 THR A 33 -9.403 -17.226 12.826 1.00 0.00 C ATOM 0 H THR A 33 -7.441 -15.376 11.251 1.00 0.00 H new ATOM 0 HA THR A 33 -8.155 -18.133 10.483 1.00 0.00 H new ATOM 0 HB THR A 33 -10.449 -17.577 10.999 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.023 -15.539 10.802 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.312 -17.090 13.413 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.071 -18.261 12.906 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.624 -16.565 13.206 1.00 0.00 H new ATOM 408 N CYS A 34 -7.662 -16.152 8.401 1.00 0.00 N ATOM 409 CA CYS A 34 -7.801 -15.663 7.034 1.00 0.00 C ATOM 410 C CYS A 34 -6.950 -16.488 6.072 1.00 0.00 C ATOM 411 O CYS A 34 -5.756 -16.685 6.296 1.00 0.00 O ATOM 412 CB CYS A 34 -7.397 -14.189 6.954 1.00 0.00 C ATOM 413 SG CYS A 34 -7.476 -13.487 5.275 1.00 0.00 S ATOM 0 H CYS A 34 -6.709 -16.123 8.764 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.847 -15.763 6.743 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.047 -13.609 7.610 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.381 -14.080 7.334 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.556 -12.578 5.141 1.00 0.00 H new ATOM 418 N SER A 35 -7.575 -16.966 5.001 1.00 0.00 N ATOM 419 CA SER A 35 -6.877 -17.772 4.006 1.00 0.00 C ATOM 420 C SER A 35 -6.980 -17.137 2.623 1.00 0.00 C ATOM 421 O SER A 35 -6.920 -17.827 1.605 1.00 0.00 O ATOM 422 CB SER A 35 -7.451 -19.190 3.973 1.00 0.00 C ATOM 423 OG SER A 35 -6.703 -20.023 3.105 1.00 0.00 O ATOM 0 H SER A 35 -8.563 -16.809 4.800 1.00 0.00 H new ATOM 0 HA SER A 35 -5.825 -17.820 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.447 -19.611 4.979 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.490 -19.158 3.645 1.00 0.00 H new ATOM 0 HG SER A 35 -6.490 -19.532 2.284 1.00 0.00 H new ATOM 429 N ARG A 36 -7.134 -15.817 2.595 1.00 0.00 N ATOM 430 CA ARG A 36 -7.247 -15.088 1.337 1.00 0.00 C ATOM 431 C ARG A 36 -5.996 -14.254 1.078 1.00 0.00 C ATOM 432 O ARG A 36 -5.427 -13.667 1.999 1.00 0.00 O ATOM 433 CB ARG A 36 -8.480 -14.183 1.357 1.00 0.00 C ATOM 434 CG ARG A 36 -9.792 -14.944 1.460 1.00 0.00 C ATOM 435 CD ARG A 36 -10.988 -14.017 1.301 1.00 0.00 C ATOM 436 NE ARG A 36 -11.438 -13.480 2.582 1.00 0.00 N ATOM 437 CZ ARG A 36 -12.227 -14.142 3.420 1.00 0.00 C ATOM 438 NH1 ARG A 36 -12.651 -15.361 3.114 1.00 0.00 N ATOM 439 NH2 ARG A 36 -12.594 -13.586 4.568 1.00 0.00 N ATOM 0 H ARG A 36 -7.183 -15.231 3.428 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.351 -15.816 0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.402 -13.495 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.491 -13.578 0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.826 -15.718 0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.847 -15.448 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.724 -13.195 0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.807 -14.559 0.828 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.129 -12.545 2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.371 -15.792 2.233 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.257 -15.867 3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.270 -12.649 4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.200 -14.096 5.211 1.00 0.00 H new ATOM 453 N SER A 37 -5.572 -14.208 -0.181 1.00 0.00 N ATOM 454 CA SER A 37 -4.385 -13.450 -0.560 1.00 0.00 C ATOM 455 C SER A 37 -4.713 -11.968 -0.714 1.00 0.00 C ATOM 456 O SER A 37 -5.878 -11.588 -0.842 1.00 0.00 O ATOM 457 CB SER A 37 -3.804 -13.993 -1.867 1.00 0.00 C ATOM 458 OG SER A 37 -2.667 -13.248 -2.268 1.00 0.00 O ATOM 0 H SER A 37 -6.032 -14.686 -0.955 1.00 0.00 H new ATOM 0 HA SER A 37 -3.645 -13.560 0.233 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.530 -15.040 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.562 -13.955 -2.649 1.00 0.00 H new ATOM 0 HG SER A 37 -2.313 -13.616 -3.105 1.00 0.00 H new ATOM 464 N ASP A 38 -3.678 -11.135 -0.699 1.00 0.00 N ATOM 465 CA ASP A 38 -3.855 -9.694 -0.838 1.00 0.00 C ATOM 466 C ASP A 38 -4.650 -9.362 -2.097 1.00 0.00 C ATOM 467 O ASP A 38 -5.308 -8.325 -2.171 1.00 0.00 O ATOM 468 CB ASP A 38 -2.495 -8.994 -0.879 1.00 0.00 C ATOM 469 CG ASP A 38 -1.742 -9.116 0.431 1.00 0.00 C ATOM 470 OD1 ASP A 38 -1.575 -10.254 0.917 1.00 0.00 O ATOM 471 OD2 ASP A 38 -1.318 -8.072 0.971 1.00 0.00 O ATOM 0 H ASP A 38 -2.708 -11.433 -0.592 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.414 -9.336 0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.894 -9.421 -1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.639 -7.940 -1.115 1.00 0.00 H new ATOM 476 N GLU A 39 -4.583 -10.249 -3.084 1.00 0.00 N ATOM 477 CA GLU A 39 -5.295 -10.049 -4.341 1.00 0.00 C ATOM 478 C GLU A 39 -6.762 -10.445 -4.203 1.00 0.00 C ATOM 479 O GLU A 39 -7.609 -10.006 -4.981 1.00 0.00 O ATOM 480 CB GLU A 39 -4.639 -10.860 -5.460 1.00 0.00 C ATOM 481 CG GLU A 39 -5.267 -10.633 -6.825 1.00 0.00 C ATOM 482 CD GLU A 39 -4.705 -9.415 -7.531 1.00 0.00 C ATOM 483 OE1 GLU A 39 -3.471 -9.228 -7.498 1.00 0.00 O ATOM 484 OE2 GLU A 39 -5.499 -8.649 -8.116 1.00 0.00 O ATOM 0 H GLU A 39 -4.043 -11.113 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.244 -8.990 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.580 -10.605 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.700 -11.920 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.106 -11.514 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.345 -10.516 -6.710 1.00 0.00 H new ATOM 491 N GLU A 40 -7.054 -11.278 -3.209 1.00 0.00 N ATOM 492 CA GLU A 40 -8.418 -11.734 -2.971 1.00 0.00 C ATOM 493 C GLU A 40 -9.067 -10.943 -1.839 1.00 0.00 C ATOM 494 O GLU A 40 -10.091 -10.287 -2.033 1.00 0.00 O ATOM 495 CB GLU A 40 -8.429 -13.227 -2.636 1.00 0.00 C ATOM 496 CG GLU A 40 -9.810 -13.857 -2.704 1.00 0.00 C ATOM 497 CD GLU A 40 -10.577 -13.445 -3.946 1.00 0.00 C ATOM 498 OE1 GLU A 40 -10.118 -13.769 -5.061 1.00 0.00 O ATOM 499 OE2 GLU A 40 -11.636 -12.799 -3.802 1.00 0.00 O ATOM 0 H GLU A 40 -6.365 -11.650 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.993 -11.569 -3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.766 -13.750 -3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.023 -13.369 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.712 -14.942 -2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.379 -13.573 -1.819 1.00 0.00 H new ATOM 506 N CYS A 41 -8.464 -11.009 -0.657 1.00 0.00 N ATOM 507 CA CYS A 41 -8.982 -10.301 0.507 1.00 0.00 C ATOM 508 C CYS A 41 -8.926 -8.791 0.294 1.00 0.00 C ATOM 509 O CYS A 41 -7.913 -8.252 -0.152 1.00 0.00 O ATOM 510 CB CYS A 41 -8.185 -10.680 1.757 1.00 0.00 C ATOM 511 SG CYS A 41 -9.148 -10.613 3.302 1.00 0.00 S ATOM 0 H CYS A 41 -7.615 -11.546 -0.480 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.023 -10.593 0.645 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.790 -11.688 1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.329 -10.011 1.846 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.710 -11.518 4.126 1.00 0.00 H new ATOM 516 N LYS A 42 -10.023 -8.113 0.616 1.00 0.00 N ATOM 517 CA LYS A 42 -10.101 -6.666 0.462 1.00 0.00 C ATOM 518 C LYS A 42 -9.499 -5.957 1.672 1.00 0.00 C ATOM 519 O LYS A 42 -9.951 -4.880 2.061 1.00 0.00 O ATOM 520 CB LYS A 42 -11.556 -6.230 0.274 1.00 0.00 C ATOM 521 CG LYS A 42 -12.426 -6.471 1.495 1.00 0.00 C ATOM 522 CD LYS A 42 -13.892 -6.204 1.197 1.00 0.00 C ATOM 523 CE LYS A 42 -14.802 -6.995 2.124 1.00 0.00 C ATOM 524 NZ LYS A 42 -16.142 -6.359 2.261 1.00 0.00 N ATOM 0 H LYS A 42 -10.871 -8.544 0.986 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.528 -6.388 -0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.579 -5.169 0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.980 -6.766 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.304 -7.500 1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.096 -5.827 2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.098 -5.139 1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.108 -6.467 0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.919 -8.009 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.337 -7.077 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.733 -6.928 2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.033 -5.401 2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.597 -6.303 1.327 1.00 0.00 H new ATOM 538 N PHE A 43 -8.477 -6.567 2.261 1.00 0.00 N ATOM 539 CA PHE A 43 -7.813 -5.994 3.426 1.00 0.00 C ATOM 540 C PHE A 43 -6.298 -6.132 3.311 1.00 0.00 C ATOM 541 O PHE A 43 -5.793 -6.851 2.450 1.00 0.00 O ATOM 542 CB PHE A 43 -8.303 -6.675 4.706 1.00 0.00 C ATOM 543 CG PHE A 43 -9.731 -6.356 5.046 1.00 0.00 C ATOM 544 CD1 PHE A 43 -10.039 -5.266 5.844 1.00 0.00 C ATOM 545 CD2 PHE A 43 -10.764 -7.145 4.568 1.00 0.00 C ATOM 546 CE1 PHE A 43 -11.352 -4.970 6.159 1.00 0.00 C ATOM 547 CE2 PHE A 43 -12.079 -6.855 4.879 1.00 0.00 C ATOM 548 CZ PHE A 43 -12.373 -5.765 5.675 1.00 0.00 C ATOM 0 H PHE A 43 -8.090 -7.458 1.951 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.061 -4.934 3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.196 -7.754 4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.664 -6.373 5.536 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.245 -4.641 6.224 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.539 -7.998 3.944 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.579 -4.118 6.783 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -12.875 -7.479 4.501 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.400 -5.535 5.919 1.00 0.00 H new ATOM 558 N ALA A 44 -5.578 -5.437 4.186 1.00 0.00 N ATOM 559 CA ALA A 44 -4.121 -5.482 4.185 1.00 0.00 C ATOM 560 C ALA A 44 -3.600 -6.427 5.262 1.00 0.00 C ATOM 561 O ALA A 44 -3.960 -6.307 6.434 1.00 0.00 O ATOM 562 CB ALA A 44 -3.550 -4.086 4.383 1.00 0.00 C ATOM 0 H ALA A 44 -5.981 -4.836 4.905 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.794 -5.862 3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.461 -4.135 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.886 -3.437 3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.893 -3.685 5.337 1.00 0.00 H new ATOM 568 N HIS A 45 -2.752 -7.367 4.859 1.00 0.00 N ATOM 569 CA HIS A 45 -2.182 -8.333 5.791 1.00 0.00 C ATOM 570 C HIS A 45 -0.686 -8.094 5.974 1.00 0.00 C ATOM 571 O HIS A 45 0.146 -8.606 5.224 1.00 0.00 O ATOM 572 CB HIS A 45 -2.425 -9.758 5.294 1.00 0.00 C ATOM 573 CG HIS A 45 -3.840 -10.014 4.876 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.972 -9.309 5.107 1.00 0.00 N flip ATOM 575 CD2 HIS A 45 -4.218 -11.109 4.129 1.00 0.00 C flip ATOM 576 CE1 HIS A 45 -6.003 -9.983 4.500 1.00 0.00 C flip ATOM 577 NE2 HIS A 45 -5.522 -11.066 3.917 1.00 0.00 N flip ATOM 0 H HIS A 45 -2.444 -7.481 3.893 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.674 -8.204 6.755 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.764 -9.957 4.450 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.155 -10.460 6.083 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.553 -11.881 3.773 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.039 -9.677 4.499 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.064 -11.752 3.392 1.00 0.00 H new ATOM 585 N PRO A 46 -0.334 -7.297 6.994 1.00 0.00 N ATOM 586 CA PRO A 46 1.063 -6.971 7.298 1.00 0.00 C ATOM 587 C PRO A 46 1.832 -8.170 7.842 1.00 0.00 C ATOM 588 O PRO A 46 1.397 -8.847 8.774 1.00 0.00 O ATOM 589 CB PRO A 46 0.948 -5.881 8.367 1.00 0.00 C ATOM 590 CG PRO A 46 -0.375 -6.119 9.010 1.00 0.00 C ATOM 591 CD PRO A 46 -1.272 -6.652 7.928 1.00 0.00 C ATOM 0 HA PRO A 46 1.612 -6.660 6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.759 -5.951 9.092 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.000 -4.886 7.925 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.288 -6.831 9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.776 -5.197 9.430 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.999 -7.362 8.322 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.836 -5.854 7.444 1.00 0.00 H new ATOM 599 N PRO A 47 3.004 -8.441 7.247 1.00 0.00 N ATOM 600 CA PRO A 47 3.859 -9.559 7.657 1.00 0.00 C ATOM 601 C PRO A 47 4.493 -9.333 9.025 1.00 0.00 C ATOM 602 O PRO A 47 4.378 -8.253 9.604 1.00 0.00 O ATOM 603 CB PRO A 47 4.935 -9.600 6.568 1.00 0.00 C ATOM 604 CG PRO A 47 4.987 -8.210 6.035 1.00 0.00 C ATOM 605 CD PRO A 47 3.584 -7.677 6.131 1.00 0.00 C ATOM 0 HA PRO A 47 3.297 -10.488 7.755 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.899 -9.904 6.975 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.680 -10.315 5.786 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.678 -7.596 6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.338 -8.201 5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.574 -6.605 6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.030 -7.835 5.206 1.00 0.00 H new ATOM 613 N LYS A 48 5.165 -10.359 9.537 1.00 0.00 N ATOM 614 CA LYS A 48 5.820 -10.273 10.837 1.00 0.00 C ATOM 615 C LYS A 48 6.898 -9.194 10.832 1.00 0.00 C ATOM 616 O LYS A 48 6.988 -8.389 11.759 1.00 0.00 O ATOM 617 CB LYS A 48 6.436 -11.623 11.211 1.00 0.00 C ATOM 618 CG LYS A 48 6.721 -11.771 12.696 1.00 0.00 C ATOM 619 CD LYS A 48 6.682 -13.227 13.128 1.00 0.00 C ATOM 620 CE LYS A 48 8.004 -13.926 12.849 1.00 0.00 C ATOM 621 NZ LYS A 48 7.948 -15.375 13.191 1.00 0.00 N ATOM 0 H LYS A 48 5.270 -11.260 9.071 1.00 0.00 H new ATOM 0 HA LYS A 48 5.067 -10.006 11.579 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.762 -12.420 10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.365 -11.755 10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.700 -11.349 12.923 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.988 -11.201 13.267 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.455 -13.286 14.193 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.878 -13.742 12.602 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.261 -13.811 11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.797 -13.447 13.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.868 -15.816 12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.728 -15.485 14.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.209 -15.837 12.624 1.00 0.00 H new ATOM 635 N SER A 49 7.713 -9.183 9.782 1.00 0.00 N ATOM 636 CA SER A 49 8.787 -8.204 9.658 1.00 0.00 C ATOM 637 C SER A 49 8.232 -6.784 9.676 1.00 0.00 C ATOM 638 O SER A 49 8.813 -5.886 10.286 1.00 0.00 O ATOM 639 CB SER A 49 9.574 -8.440 8.368 1.00 0.00 C ATOM 640 OG SER A 49 8.799 -8.106 7.229 1.00 0.00 O ATOM 0 H SER A 49 7.650 -9.841 9.005 1.00 0.00 H new ATOM 0 HA SER A 49 9.456 -8.325 10.510 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.485 -7.842 8.380 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.879 -9.485 8.310 1.00 0.00 H new ATOM 0 HG SER A 49 9.325 -8.264 6.417 1.00 0.00 H new ATOM 646 N CYS A 50 7.103 -6.588 9.003 1.00 0.00 N ATOM 647 CA CYS A 50 6.468 -5.276 8.939 1.00 0.00 C ATOM 648 C CYS A 50 5.795 -4.934 10.265 1.00 0.00 C ATOM 649 O CYS A 50 5.019 -5.725 10.800 1.00 0.00 O ATOM 650 CB CYS A 50 5.441 -5.238 7.807 1.00 0.00 C ATOM 651 SG CYS A 50 6.167 -5.110 6.156 1.00 0.00 S ATOM 0 H CYS A 50 6.609 -7.321 8.494 1.00 0.00 H new ATOM 0 HA CYS A 50 7.241 -4.534 8.742 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.830 -6.139 7.855 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.773 -4.391 7.965 1.00 0.00 H new ATOM 0 HG CYS A 50 7.094 -6.011 6.018 1.00 0.00 H new ATOM 657 N GLN A 51 6.100 -3.751 10.789 1.00 0.00 N ATOM 658 CA GLN A 51 5.526 -3.305 12.053 1.00 0.00 C ATOM 659 C GLN A 51 4.033 -3.030 11.906 1.00 0.00 C ATOM 660 O GLN A 51 3.611 -2.305 11.005 1.00 0.00 O ATOM 661 CB GLN A 51 6.243 -2.047 12.547 1.00 0.00 C ATOM 662 CG GLN A 51 6.268 -1.917 14.061 1.00 0.00 C ATOM 663 CD GLN A 51 4.931 -2.241 14.698 1.00 0.00 C ATOM 664 OE1 GLN A 51 4.603 -3.407 14.920 1.00 0.00 O ATOM 665 NE2 GLN A 51 4.151 -1.209 14.995 1.00 0.00 N ATOM 0 H GLN A 51 6.741 -3.085 10.358 1.00 0.00 H new ATOM 0 HA GLN A 51 5.659 -4.101 12.785 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.267 -2.052 12.174 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.754 -1.170 12.123 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.030 -2.583 14.466 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.557 -0.901 14.330 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.463 -0.259 14.793 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.239 -1.366 15.425 1.00 0.00 H new ATOM 674 N VAL A 52 3.238 -3.613 12.797 1.00 0.00 N ATOM 675 CA VAL A 52 1.792 -3.430 12.767 1.00 0.00 C ATOM 676 C VAL A 52 1.348 -2.397 13.797 1.00 0.00 C ATOM 677 O VAL A 52 1.756 -2.447 14.956 1.00 0.00 O ATOM 678 CB VAL A 52 1.053 -4.755 13.034 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.452 -4.548 12.972 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.495 -5.820 12.041 1.00 0.00 C ATOM 0 H VAL A 52 3.571 -4.216 13.549 1.00 0.00 H new ATOM 0 HA VAL A 52 1.538 -3.076 11.768 1.00 0.00 H new ATOM 0 HB VAL A 52 1.307 -5.098 14.037 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.958 -5.495 13.163 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.750 -3.819 13.725 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.729 -4.182 11.983 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.963 -6.750 12.244 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.271 -5.488 11.027 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.568 -5.987 12.140 1.00 0.00 H new ATOM 690 N GLU A 53 0.508 -1.462 13.364 1.00 0.00 N ATOM 691 CA GLU A 53 0.008 -0.417 14.249 1.00 0.00 C ATOM 692 C GLU A 53 -1.286 -0.853 14.931 1.00 0.00 C ATOM 693 O GLU A 53 -1.888 -1.859 14.557 1.00 0.00 O ATOM 694 CB GLU A 53 -0.227 0.877 13.465 1.00 0.00 C ATOM 695 CG GLU A 53 0.985 1.791 13.423 1.00 0.00 C ATOM 696 CD GLU A 53 0.625 3.223 13.077 1.00 0.00 C ATOM 697 OE1 GLU A 53 -0.448 3.435 12.473 1.00 0.00 O ATOM 698 OE2 GLU A 53 1.415 4.130 13.410 1.00 0.00 O ATOM 0 H GLU A 53 0.160 -1.407 12.407 1.00 0.00 H new ATOM 0 HA GLU A 53 0.760 -0.237 15.017 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.518 0.626 12.445 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.063 1.416 13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.485 1.770 14.391 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.696 1.412 12.689 1.00 0.00 H new ATOM 705 N ASN A 54 -1.707 -0.089 15.933 1.00 0.00 N ATOM 706 CA ASN A 54 -2.928 -0.397 16.668 1.00 0.00 C ATOM 707 C ASN A 54 -4.111 -0.551 15.717 1.00 0.00 C ATOM 708 O ASN A 54 -4.616 0.430 15.174 1.00 0.00 O ATOM 709 CB ASN A 54 -3.223 0.702 17.692 1.00 0.00 C ATOM 710 CG ASN A 54 -2.530 0.457 19.018 1.00 0.00 C ATOM 711 OD1 ASN A 54 -1.492 1.051 19.308 1.00 0.00 O ATOM 712 ND2 ASN A 54 -3.102 -0.424 19.831 1.00 0.00 N ATOM 0 H ASN A 54 -1.221 0.748 16.255 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.779 -1.342 17.191 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.904 1.664 17.291 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.299 0.765 17.854 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.680 -0.631 20.736 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.963 -0.893 19.550 1.00 0.00 H new ATOM 719 N GLY A 55 -4.548 -1.792 15.522 1.00 0.00 N ATOM 720 CA GLY A 55 -5.669 -2.053 14.637 1.00 0.00 C ATOM 721 C GLY A 55 -5.467 -1.462 13.256 1.00 0.00 C ATOM 722 O GLY A 55 -6.422 -1.304 12.496 1.00 0.00 O ATOM 0 H GLY A 55 -4.146 -2.621 15.961 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.816 -3.129 14.550 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.578 -1.641 15.076 1.00 0.00 H new ATOM 726 N ARG A 56 -4.221 -1.131 12.932 1.00 0.00 N ATOM 727 CA ARG A 56 -3.898 -0.551 11.634 1.00 0.00 C ATOM 728 C ARG A 56 -2.440 -0.816 11.268 1.00 0.00 C ATOM 729 O ARG A 56 -1.659 -1.294 12.091 1.00 0.00 O ATOM 730 CB ARG A 56 -4.166 0.955 11.644 1.00 0.00 C ATOM 731 CG ARG A 56 -4.623 1.501 10.301 1.00 0.00 C ATOM 732 CD ARG A 56 -5.430 2.780 10.465 1.00 0.00 C ATOM 733 NE ARG A 56 -4.699 3.796 11.217 1.00 0.00 N ATOM 734 CZ ARG A 56 -5.284 4.813 11.839 1.00 0.00 C ATOM 735 NH1 ARG A 56 -6.602 4.949 11.799 1.00 0.00 N ATOM 736 NH2 ARG A 56 -4.550 5.697 12.503 1.00 0.00 N ATOM 0 H ARG A 56 -3.419 -1.255 13.550 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.535 -1.022 10.885 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.926 1.175 12.394 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.258 1.475 11.948 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.755 1.696 9.672 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.227 0.752 9.789 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.690 3.173 9.482 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.366 2.555 10.976 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.683 3.720 11.267 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.169 4.272 11.290 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.049 5.731 12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.536 5.596 12.536 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.000 6.478 12.980 1.00 0.00 H new ATOM 750 N VAL A 57 -2.081 -0.503 10.027 1.00 0.00 N ATOM 751 CA VAL A 57 -0.718 -0.707 9.551 1.00 0.00 C ATOM 752 C VAL A 57 -0.345 0.326 8.494 1.00 0.00 C ATOM 753 O VAL A 57 -1.145 0.644 7.613 1.00 0.00 O ATOM 754 CB VAL A 57 -0.534 -2.118 8.963 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.534 -2.365 7.844 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.892 -2.306 8.466 1.00 0.00 C ATOM 0 H VAL A 57 -2.715 -0.107 9.333 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.061 -0.593 10.413 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.719 -2.848 9.751 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.389 -3.367 7.441 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.547 -2.275 8.235 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.384 -1.630 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.004 -3.309 8.054 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.108 -1.569 7.692 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.587 -2.175 9.296 1.00 0.00 H new ATOM 766 N ILE A 58 0.875 0.845 8.586 1.00 0.00 N ATOM 767 CA ILE A 58 1.354 1.841 7.635 1.00 0.00 C ATOM 768 C ILE A 58 1.907 1.179 6.378 1.00 0.00 C ATOM 769 O ILE A 58 2.627 0.183 6.453 1.00 0.00 O ATOM 770 CB ILE A 58 2.447 2.731 8.256 1.00 0.00 C ATOM 771 CG1 ILE A 58 1.963 3.319 9.583 1.00 0.00 C ATOM 772 CG2 ILE A 58 2.839 3.840 7.291 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.066 3.957 10.399 1.00 0.00 C ATOM 0 H ILE A 58 1.549 0.593 9.309 1.00 0.00 H new ATOM 0 HA ILE A 58 0.498 2.462 7.369 1.00 0.00 H new ATOM 0 HB ILE A 58 3.327 2.118 8.451 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.193 4.064 9.382 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.496 2.530 10.172 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.612 4.460 7.744 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.220 3.402 6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.966 4.454 7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.651 4.352 11.326 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.825 3.210 10.631 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.518 4.769 9.829 1.00 0.00 H new ATOM 785 N ALA A 59 1.567 1.740 5.222 1.00 0.00 N ATOM 786 CA ALA A 59 2.033 1.207 3.948 1.00 0.00 C ATOM 787 C ALA A 59 3.358 1.842 3.538 1.00 0.00 C ATOM 788 O ALA A 59 3.684 2.951 3.963 1.00 0.00 O ATOM 789 CB ALA A 59 0.983 1.428 2.868 1.00 0.00 C ATOM 0 H ALA A 59 0.970 2.563 5.142 1.00 0.00 H new ATOM 0 HA ALA A 59 2.196 0.136 4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.344 1.025 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.060 0.922 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.793 2.496 2.759 1.00 0.00 H new ATOM 795 N CYS A 60 4.118 1.132 2.711 1.00 0.00 N ATOM 796 CA CYS A 60 5.408 1.625 2.245 1.00 0.00 C ATOM 797 C CYS A 60 5.233 2.571 1.060 1.00 0.00 C ATOM 798 O CYS A 60 4.333 2.395 0.238 1.00 0.00 O ATOM 799 CB CYS A 60 6.311 0.455 1.848 1.00 0.00 C ATOM 800 SG CYS A 60 7.898 0.959 1.109 1.00 0.00 S ATOM 0 H CYS A 60 3.862 0.213 2.350 1.00 0.00 H new ATOM 0 HA CYS A 60 5.875 2.176 3.061 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.510 -0.152 2.731 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.777 -0.178 1.139 1.00 0.00 H new ATOM 0 HG CYS A 60 8.877 0.427 1.779 1.00 0.00 H new ATOM 805 N PHE A 61 6.099 3.576 0.980 1.00 0.00 N ATOM 806 CA PHE A 61 6.040 4.551 -0.103 1.00 0.00 C ATOM 807 C PHE A 61 6.526 3.939 -1.413 1.00 0.00 C ATOM 808 O PHE A 61 5.797 3.907 -2.405 1.00 0.00 O ATOM 809 CB PHE A 61 6.884 5.780 0.243 1.00 0.00 C ATOM 810 CG PHE A 61 7.246 6.614 -0.953 1.00 0.00 C ATOM 811 CD1 PHE A 61 8.407 6.359 -1.666 1.00 0.00 C ATOM 812 CD2 PHE A 61 6.426 7.652 -1.364 1.00 0.00 C ATOM 813 CE1 PHE A 61 8.743 7.125 -2.766 1.00 0.00 C ATOM 814 CE2 PHE A 61 6.757 8.422 -2.464 1.00 0.00 C ATOM 815 CZ PHE A 61 7.916 8.157 -3.166 1.00 0.00 C ATOM 0 H PHE A 61 6.850 3.737 1.652 1.00 0.00 H new ATOM 0 HA PHE A 61 5.001 4.855 -0.228 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.337 6.398 0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.798 5.455 0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.056 5.553 -1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.518 7.862 -0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.651 6.917 -3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.110 9.229 -2.773 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.176 8.756 -4.027 1.00 0.00 H new ATOM 825 N ASP A 62 7.763 3.454 -1.410 1.00 0.00 N ATOM 826 CA ASP A 62 8.348 2.842 -2.597 1.00 0.00 C ATOM 827 C ASP A 62 7.451 1.730 -3.134 1.00 0.00 C ATOM 828 O ASP A 62 7.094 1.721 -4.312 1.00 0.00 O ATOM 829 CB ASP A 62 9.736 2.284 -2.279 1.00 0.00 C ATOM 830 CG ASP A 62 10.808 3.356 -2.294 1.00 0.00 C ATOM 831 OD1 ASP A 62 10.895 4.095 -3.297 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.560 3.457 -1.302 1.00 0.00 O ATOM 0 H ASP A 62 8.380 3.473 -0.598 1.00 0.00 H new ATOM 0 HA ASP A 62 8.441 3.612 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.717 1.807 -1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.989 1.511 -3.005 1.00 0.00 H new ATOM 837 N SER A 63 7.090 0.795 -2.261 1.00 0.00 N ATOM 838 CA SER A 63 6.238 -0.324 -2.648 1.00 0.00 C ATOM 839 C SER A 63 5.142 0.134 -3.605 1.00 0.00 C ATOM 840 O SER A 63 4.741 -0.603 -4.507 1.00 0.00 O ATOM 841 CB SER A 63 5.613 -0.968 -1.409 1.00 0.00 C ATOM 842 OG SER A 63 4.597 -0.145 -0.863 1.00 0.00 O ATOM 0 H SER A 63 7.374 0.790 -1.281 1.00 0.00 H new ATOM 0 HA SER A 63 6.857 -1.061 -3.159 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.196 -1.940 -1.672 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.384 -1.145 -0.659 1.00 0.00 H new ATOM 0 HG SER A 63 4.945 0.762 -0.735 1.00 0.00 H new ATOM 848 N LEU A 64 4.660 1.355 -3.402 1.00 0.00 N ATOM 849 CA LEU A 64 3.610 1.913 -4.247 1.00 0.00 C ATOM 850 C LEU A 64 3.982 1.806 -5.722 1.00 0.00 C ATOM 851 O LEU A 64 3.168 1.398 -6.551 1.00 0.00 O ATOM 852 CB LEU A 64 3.355 3.376 -3.878 1.00 0.00 C ATOM 853 CG LEU A 64 3.023 3.651 -2.411 1.00 0.00 C ATOM 854 CD1 LEU A 64 3.029 5.146 -2.134 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.676 3.045 -2.047 1.00 0.00 C ATOM 0 H LEU A 64 4.979 1.978 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 64 2.699 1.338 -4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.238 3.956 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.533 3.746 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 64 3.789 3.184 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.791 5.323 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.016 5.553 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.285 5.635 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.456 3.250 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.899 3.483 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.707 1.967 -2.207 1.00 0.00 H new ATOM 867 N LYS A 65 5.218 2.173 -6.043 1.00 0.00 N ATOM 868 CA LYS A 65 5.701 2.115 -7.417 1.00 0.00 C ATOM 869 C LYS A 65 5.812 0.671 -7.895 1.00 0.00 C ATOM 870 O LYS A 65 5.659 0.385 -9.082 1.00 0.00 O ATOM 871 CB LYS A 65 7.062 2.807 -7.531 1.00 0.00 C ATOM 872 CG LYS A 65 7.026 4.282 -7.172 1.00 0.00 C ATOM 873 CD LYS A 65 6.733 5.145 -8.388 1.00 0.00 C ATOM 874 CE LYS A 65 5.244 5.424 -8.528 1.00 0.00 C ATOM 875 NZ LYS A 65 4.847 6.677 -7.828 1.00 0.00 N ATOM 0 H LYS A 65 5.904 2.514 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 65 4.982 2.634 -8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.774 2.300 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.431 2.699 -8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.265 4.454 -6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.982 4.575 -6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.275 6.087 -8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.097 4.646 -9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.987 5.501 -9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.678 4.586 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.826 6.832 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.069 6.594 -6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.369 7.481 -8.232 1.00 0.00 H new ATOM 889 N GLY A 66 6.078 -0.238 -6.961 1.00 0.00 N ATOM 890 CA GLY A 66 6.203 -1.642 -7.306 1.00 0.00 C ATOM 891 C GLY A 66 7.610 -2.166 -7.102 1.00 0.00 C ATOM 892 O GLY A 66 7.843 -3.374 -7.148 1.00 0.00 O ATOM 0 H GLY A 66 6.209 -0.027 -5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.510 -2.225 -6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.913 -1.784 -8.347 1.00 0.00 H new ATOM 896 N ARG A 67 8.552 -1.256 -6.878 1.00 0.00 N ATOM 897 CA ARG A 67 9.945 -1.633 -6.669 1.00 0.00 C ATOM 898 C ARG A 67 10.512 -0.952 -5.427 1.00 0.00 C ATOM 899 O ARG A 67 10.791 0.248 -5.436 1.00 0.00 O ATOM 900 CB ARG A 67 10.784 -1.266 -7.894 1.00 0.00 C ATOM 901 CG ARG A 67 10.520 -2.151 -9.101 1.00 0.00 C ATOM 902 CD ARG A 67 11.296 -3.456 -9.015 1.00 0.00 C ATOM 903 NE ARG A 67 11.195 -4.234 -10.247 1.00 0.00 N ATOM 904 CZ ARG A 67 11.787 -5.410 -10.424 1.00 0.00 C ATOM 905 NH1 ARG A 67 12.518 -5.940 -9.453 1.00 0.00 N ATOM 906 NH2 ARG A 67 11.647 -6.058 -11.573 1.00 0.00 N ATOM 0 H ARG A 67 8.376 -0.252 -6.837 1.00 0.00 H new ATOM 0 HA ARG A 67 9.985 -2.712 -6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.583 -0.229 -8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.840 -1.329 -7.632 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.453 -2.365 -9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.799 -1.620 -10.011 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.344 -3.242 -8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.919 -4.048 -8.181 1.00 0.00 H new ATOM 0 HE ARG A 67 10.640 -3.854 -11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.627 -5.445 -8.568 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.972 -6.843 -9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.084 -5.653 -12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.102 -6.961 -11.708 1.00 0.00 H new ATOM 920 N CYS A 68 10.681 -1.724 -4.359 1.00 0.00 N ATOM 921 CA CYS A 68 11.214 -1.197 -3.109 1.00 0.00 C ATOM 922 C CYS A 68 12.696 -1.532 -2.965 1.00 0.00 C ATOM 923 O CYS A 68 13.187 -2.491 -3.561 1.00 0.00 O ATOM 924 CB CYS A 68 10.434 -1.761 -1.920 1.00 0.00 C ATOM 925 SG CYS A 68 10.922 -1.058 -0.311 1.00 0.00 S ATOM 0 H CYS A 68 10.456 -2.719 -4.335 1.00 0.00 H new ATOM 0 HA CYS A 68 11.105 -0.113 -3.125 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.371 -1.579 -2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.571 -2.842 -1.889 1.00 0.00 H new ATOM 0 HG CYS A 68 9.924 -0.395 0.194 1.00 0.00 H new ATOM 930 N SER A 69 13.403 -0.735 -2.170 1.00 0.00 N ATOM 931 CA SER A 69 14.829 -0.944 -1.950 1.00 0.00 C ATOM 932 C SER A 69 15.088 -1.490 -0.549 1.00 0.00 C ATOM 933 O SER A 69 15.703 -2.543 -0.385 1.00 0.00 O ATOM 934 CB SER A 69 15.595 0.365 -2.149 1.00 0.00 C ATOM 935 OG SER A 69 15.158 1.356 -1.235 1.00 0.00 O ATOM 0 H SER A 69 13.011 0.062 -1.668 1.00 0.00 H new ATOM 0 HA SER A 69 15.180 -1.676 -2.677 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.662 0.189 -2.016 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.455 0.720 -3.170 1.00 0.00 H new ATOM 0 HG SER A 69 15.664 2.182 -1.382 1.00 0.00 H new ATOM 941 N ARG A 70 14.614 -0.764 0.459 1.00 0.00 N ATOM 942 CA ARG A 70 14.795 -1.173 1.846 1.00 0.00 C ATOM 943 C ARG A 70 14.728 -2.692 1.978 1.00 0.00 C ATOM 944 O ARG A 70 13.738 -3.315 1.597 1.00 0.00 O ATOM 945 CB ARG A 70 13.730 -0.527 2.734 1.00 0.00 C ATOM 946 CG ARG A 70 14.024 0.924 3.080 1.00 0.00 C ATOM 947 CD ARG A 70 14.938 1.034 4.290 1.00 0.00 C ATOM 948 NE ARG A 70 15.315 2.417 4.567 1.00 0.00 N ATOM 949 CZ ARG A 70 16.298 3.051 3.938 1.00 0.00 C ATOM 950 NH1 ARG A 70 16.999 2.430 3.000 1.00 0.00 N ATOM 951 NH2 ARG A 70 16.581 4.311 4.247 1.00 0.00 N ATOM 0 H ARG A 70 14.102 0.110 0.340 1.00 0.00 H new ATOM 0 HA ARG A 70 15.781 -0.840 2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.765 -0.583 2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.641 -1.101 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.489 1.416 2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.089 1.448 3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.437 0.613 5.162 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.836 0.440 4.121 1.00 0.00 H new ATOM 0 HE ARG A 70 14.795 2.924 5.283 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.784 1.462 2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.753 2.920 2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 70 16.043 4.792 4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.336 4.797 3.764 1.00 0.00 H new ATOM 965 N GLU A 71 15.790 -3.281 2.520 1.00 0.00 N ATOM 966 CA GLU A 71 15.852 -4.727 2.701 1.00 0.00 C ATOM 967 C GLU A 71 14.749 -5.205 3.641 1.00 0.00 C ATOM 968 O GLU A 71 13.762 -5.798 3.206 1.00 0.00 O ATOM 969 CB GLU A 71 17.219 -5.136 3.251 1.00 0.00 C ATOM 970 CG GLU A 71 18.327 -5.105 2.212 1.00 0.00 C ATOM 971 CD GLU A 71 19.609 -5.747 2.707 1.00 0.00 C ATOM 972 OE1 GLU A 71 19.650 -6.991 2.804 1.00 0.00 O ATOM 973 OE2 GLU A 71 20.571 -5.005 2.997 1.00 0.00 O ATOM 0 H GLU A 71 16.618 -2.780 2.841 1.00 0.00 H new ATOM 0 HA GLU A 71 15.705 -5.196 1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.484 -4.471 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.149 -6.142 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.991 -5.620 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.528 -4.071 1.931 1.00 0.00 H new ATOM 980 N ASN A 72 14.925 -4.944 4.932 1.00 0.00 N ATOM 981 CA ASN A 72 13.946 -5.349 5.934 1.00 0.00 C ATOM 982 C ASN A 72 12.892 -4.264 6.134 1.00 0.00 C ATOM 983 O ASN A 72 12.453 -4.008 7.255 1.00 0.00 O ATOM 984 CB ASN A 72 14.641 -5.650 7.263 1.00 0.00 C ATOM 985 CG ASN A 72 13.741 -6.394 8.231 1.00 0.00 C ATOM 986 OD1 ASN A 72 13.262 -7.489 7.934 1.00 0.00 O ATOM 987 ND2 ASN A 72 13.506 -5.801 9.396 1.00 0.00 N ATOM 0 H ASN A 72 15.736 -4.454 5.309 1.00 0.00 H new ATOM 0 HA ASN A 72 13.450 -6.252 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 72 15.537 -6.242 7.075 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.967 -4.715 7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.907 -6.253 10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.924 -4.893 9.600 1.00 0.00 H new ATOM 994 N CYS A 73 12.488 -3.631 5.038 1.00 0.00 N ATOM 995 CA CYS A 73 11.485 -2.574 5.090 1.00 0.00 C ATOM 996 C CYS A 73 10.437 -2.872 6.159 1.00 0.00 C ATOM 997 O CYS A 73 9.714 -3.865 6.075 1.00 0.00 O ATOM 998 CB CYS A 73 10.809 -2.416 3.727 1.00 0.00 C ATOM 999 SG CYS A 73 9.950 -0.825 3.503 1.00 0.00 S ATOM 0 H CYS A 73 12.840 -3.832 4.102 1.00 0.00 H new ATOM 0 HA CYS A 73 11.988 -1.642 5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.561 -2.524 2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 73 10.092 -3.226 3.593 1.00 0.00 H new ATOM 0 HG CYS A 73 8.730 -1.042 3.110 1.00 0.00 H new ATOM 1004 N LYS A 74 10.361 -2.005 7.162 1.00 0.00 N ATOM 1005 CA LYS A 74 9.401 -2.172 8.247 1.00 0.00 C ATOM 1006 C LYS A 74 8.040 -1.599 7.863 1.00 0.00 C ATOM 1007 O LYS A 74 7.336 -1.032 8.699 1.00 0.00 O ATOM 1008 CB LYS A 74 9.913 -1.489 9.518 1.00 0.00 C ATOM 1009 CG LYS A 74 10.160 0.000 9.351 1.00 0.00 C ATOM 1010 CD LYS A 74 10.648 0.632 10.644 1.00 0.00 C ATOM 1011 CE LYS A 74 11.068 2.079 10.433 1.00 0.00 C ATOM 1012 NZ LYS A 74 11.920 2.577 11.548 1.00 0.00 N ATOM 0 H LYS A 74 10.953 -1.179 7.247 1.00 0.00 H new ATOM 0 HA LYS A 74 9.286 -3.239 8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.189 -1.641 10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.840 -1.970 9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.897 0.162 8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.240 0.489 9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.858 0.587 11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.490 0.061 11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.613 2.166 9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.181 2.706 10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.185 3.566 11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.391 2.518 12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.779 1.995 11.615 1.00 0.00 H new ATOM 1026 N TYR A 75 7.676 -1.753 6.595 1.00 0.00 N ATOM 1027 CA TYR A 75 6.399 -1.251 6.100 1.00 0.00 C ATOM 1028 C TYR A 75 5.727 -2.274 5.190 1.00 0.00 C ATOM 1029 O TYR A 75 6.387 -2.944 4.395 1.00 0.00 O ATOM 1030 CB TYR A 75 6.603 0.064 5.345 1.00 0.00 C ATOM 1031 CG TYR A 75 7.102 1.193 6.218 1.00 0.00 C ATOM 1032 CD1 TYR A 75 8.462 1.387 6.426 1.00 0.00 C ATOM 1033 CD2 TYR A 75 6.214 2.064 6.837 1.00 0.00 C ATOM 1034 CE1 TYR A 75 8.923 2.417 7.223 1.00 0.00 C ATOM 1035 CE2 TYR A 75 6.666 3.097 7.635 1.00 0.00 C ATOM 1036 CZ TYR A 75 8.021 3.269 7.825 1.00 0.00 C ATOM 1037 OH TYR A 75 8.475 4.296 8.620 1.00 0.00 O ATOM 0 H TYR A 75 8.247 -2.221 5.891 1.00 0.00 H new ATOM 0 HA TYR A 75 5.750 -1.073 6.958 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.314 -0.099 4.535 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.659 0.360 4.887 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.171 0.721 5.957 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.152 1.931 6.692 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.984 2.554 7.374 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.962 3.766 8.107 1.00 0.00 H new ATOM 0 HH TYR A 75 7.712 4.803 8.967 1.00 0.00 H new ATOM 1047 N LEU A 76 4.409 -2.389 5.313 1.00 0.00 N ATOM 1048 CA LEU A 76 3.644 -3.330 4.502 1.00 0.00 C ATOM 1049 C LEU A 76 3.454 -2.798 3.085 1.00 0.00 C ATOM 1050 O LEU A 76 3.310 -1.592 2.877 1.00 0.00 O ATOM 1051 CB LEU A 76 2.283 -3.599 5.145 1.00 0.00 C ATOM 1052 CG LEU A 76 1.240 -4.273 4.252 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.612 -5.726 4.000 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.143 -4.175 4.880 1.00 0.00 C ATOM 0 H LEU A 76 3.848 -1.842 5.966 1.00 0.00 H new ATOM 0 HA LEU A 76 4.204 -4.264 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.436 -4.223 6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.875 -2.651 5.494 1.00 0.00 H new ATOM 0 HG LEU A 76 1.219 -3.754 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.859 -6.189 3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.583 -5.773 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.662 -6.259 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.872 -4.660 4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.137 -4.669 5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.411 -3.126 5.008 1.00 0.00 H new ATOM 1066 N HIS A 77 3.451 -3.704 2.113 1.00 0.00 N ATOM 1067 CA HIS A 77 3.274 -3.326 0.715 1.00 0.00 C ATOM 1068 C HIS A 77 1.875 -3.687 0.227 1.00 0.00 C ATOM 1069 O HIS A 77 1.596 -4.827 -0.145 1.00 0.00 O ATOM 1070 CB HIS A 77 4.325 -4.014 -0.158 1.00 0.00 C ATOM 1071 CG HIS A 77 5.721 -3.536 0.097 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.252 -2.875 1.152 1.00 0.00 N flip ATOM 1073 CD2 HIS A 77 6.755 -3.721 -0.797 1.00 0.00 C flip ATOM 1074 CE1 HIS A 77 7.583 -2.676 0.880 1.00 0.00 C flip ATOM 1075 NE2 HIS A 77 7.861 -3.196 -0.302 1.00 0.00 N flip ATOM 0 H HIS A 77 3.569 -4.705 2.267 1.00 0.00 H new ATOM 0 HA HIS A 77 3.399 -2.246 0.638 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.281 -5.089 0.014 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.079 -3.849 -1.207 1.00 0.00 H new ATOM 0 HD1 HIS A 77 5.756 -2.580 1.993 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.673 -4.218 -1.753 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.288 -2.176 1.527 1.00 0.00 H new ATOM 1083 N PRO A 78 0.972 -2.695 0.229 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.413 -2.884 -0.211 1.00 0.00 C ATOM 1085 C PRO A 78 -0.519 -3.110 -1.715 1.00 0.00 C ATOM 1086 O PRO A 78 0.257 -2.569 -2.504 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.093 -1.570 0.182 1.00 0.00 C ATOM 1088 CG PRO A 78 0.009 -0.567 0.208 1.00 0.00 C ATOM 1089 CD PRO A 78 1.236 -1.312 0.659 1.00 0.00 C ATOM 0 HA PRO A 78 -0.867 -3.766 0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.864 -1.293 -0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.578 -1.651 1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.160 -0.127 -0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.224 0.251 0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.140 -0.914 0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.372 -1.246 1.738 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.500 -3.926 -2.125 1.00 0.00 N ATOM 1098 CA PRO A 79 -1.731 -4.241 -3.538 1.00 0.00 C ATOM 1099 C PRO A 79 -2.267 -3.045 -4.318 1.00 0.00 C ATOM 1100 O PRO A 79 -2.588 -2.006 -3.740 1.00 0.00 O ATOM 1101 CB PRO A 79 -2.776 -5.358 -3.487 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.487 -5.153 -2.194 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.462 -4.606 -1.240 1.00 0.00 C ATOM 0 HA PRO A 79 -0.810 -4.524 -4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.463 -5.296 -4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.307 -6.341 -3.529 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.319 -4.459 -2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.903 -6.090 -1.825 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.908 -3.915 -0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.986 -5.399 -0.663 1.00 0.00 H new ATOM 1111 N THR A 80 -2.361 -3.198 -5.635 1.00 0.00 N ATOM 1112 CA THR A 80 -2.858 -2.131 -6.495 1.00 0.00 C ATOM 1113 C THR A 80 -4.276 -1.728 -6.108 1.00 0.00 C ATOM 1114 O THR A 80 -4.505 -0.627 -5.607 1.00 0.00 O ATOM 1115 CB THR A 80 -2.841 -2.549 -7.977 1.00 0.00 C ATOM 1116 OG1 THR A 80 -1.610 -3.213 -8.285 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.011 -1.339 -8.883 1.00 0.00 C ATOM 0 H THR A 80 -2.099 -4.051 -6.130 1.00 0.00 H new ATOM 0 HA THR A 80 -2.191 -1.279 -6.358 1.00 0.00 H new ATOM 0 HB THR A 80 -3.674 -3.231 -8.149 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.608 -3.477 -9.229 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.996 -1.659 -9.925 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.963 -0.853 -8.667 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.197 -0.636 -8.708 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.226 -2.628 -6.343 1.00 0.00 N ATOM 1126 CA HIS A 81 -6.624 -2.366 -6.017 1.00 0.00 C ATOM 1127 C HIS A 81 -6.739 -1.552 -4.732 1.00 0.00 C ATOM 1128 O HIS A 81 -7.582 -0.660 -4.624 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.390 -3.681 -5.871 1.00 0.00 C ATOM 1130 CG HIS A 81 -6.843 -4.579 -4.805 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -7.160 -4.691 -3.494 1.00 0.00 N flip ATOM 1132 CD2 HIS A 81 -5.843 -5.500 -5.036 1.00 0.00 C flip ATOM 1133 CE1 HIS A 81 -6.355 -5.669 -2.962 1.00 0.00 C flip ATOM 1134 NE2 HIS A 81 -5.570 -6.142 -3.914 1.00 0.00 N flip ATOM 0 H HIS A 81 -5.054 -3.544 -6.757 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.060 -1.788 -6.832 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.434 -3.461 -5.648 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.372 -4.210 -6.824 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -5.358 -5.670 -5.986 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.363 -5.998 -1.933 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -4.872 -6.877 -3.802 1.00 0.00 H new ATOM 1142 N LEU A 82 -5.888 -1.864 -3.761 1.00 0.00 N ATOM 1143 CA LEU A 82 -5.895 -1.162 -2.483 1.00 0.00 C ATOM 1144 C LEU A 82 -5.232 0.206 -2.610 1.00 0.00 C ATOM 1145 O LEU A 82 -5.759 1.210 -2.129 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.176 -1.992 -1.418 1.00 0.00 C ATOM 1147 CG LEU A 82 -5.998 -3.106 -0.768 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.166 -3.849 0.266 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.258 -2.537 -0.132 1.00 0.00 C ATOM 0 H LEU A 82 -5.184 -2.599 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.933 -1.017 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.290 -2.438 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.829 -1.319 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.294 -3.813 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.767 -4.638 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.294 -4.289 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.840 -3.153 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.831 -3.344 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.983 -1.809 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.864 -2.051 -0.897 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.075 0.239 -3.261 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.341 1.484 -3.456 1.00 0.00 C ATOM 1163 C LYS A 83 -4.287 2.622 -3.824 1.00 0.00 C ATOM 1164 O LYS A 83 -4.245 3.697 -3.225 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.284 1.311 -4.549 1.00 0.00 C ATOM 1166 CG LYS A 83 -0.932 0.860 -4.023 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.062 0.296 -5.134 1.00 0.00 C ATOM 1168 CE LYS A 83 0.119 1.298 -6.264 1.00 0.00 C ATOM 1169 NZ LYS A 83 0.632 0.650 -7.503 1.00 0.00 N ATOM 0 H LYS A 83 -3.624 -0.583 -3.663 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.847 1.736 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.642 0.583 -5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.162 2.257 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.424 1.702 -3.553 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.075 0.103 -3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.913 0.021 -4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.514 -0.616 -5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.834 1.783 -6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.811 2.079 -5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.242 1.136 -8.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.670 0.710 -7.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.342 -0.349 -7.518 1.00 0.00 H new ATOM 1183 N THR A 84 -5.142 2.378 -4.812 1.00 0.00 N ATOM 1184 CA THR A 84 -6.099 3.383 -5.259 1.00 0.00 C ATOM 1185 C THR A 84 -6.934 3.904 -4.095 1.00 0.00 C ATOM 1186 O THR A 84 -7.292 5.081 -4.055 1.00 0.00 O ATOM 1187 CB THR A 84 -7.042 2.819 -6.339 1.00 0.00 C ATOM 1188 OG1 THR A 84 -6.277 2.285 -7.426 1.00 0.00 O ATOM 1189 CG2 THR A 84 -7.981 3.898 -6.855 1.00 0.00 C ATOM 0 H THR A 84 -5.191 1.494 -5.318 1.00 0.00 H new ATOM 0 HA THR A 84 -5.520 4.203 -5.683 1.00 0.00 H new ATOM 0 HB THR A 84 -7.639 2.025 -5.890 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.883 1.927 -8.108 1.00 0.00 H new ATOM 0 HG21 THR A 84 -8.637 3.476 -7.616 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.582 4.282 -6.031 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.398 4.711 -7.288 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.239 3.021 -3.149 1.00 0.00 N ATOM 1198 CA GLN A 85 -8.032 3.394 -1.984 1.00 0.00 C ATOM 1199 C GLN A 85 -7.369 4.533 -1.216 1.00 0.00 C ATOM 1200 O GLN A 85 -8.044 5.433 -0.716 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.224 2.187 -1.064 1.00 0.00 C ATOM 1202 CG GLN A 85 -9.545 2.198 -0.312 1.00 0.00 C ATOM 1203 CD GLN A 85 -9.499 1.378 0.962 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -8.959 1.818 1.978 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -10.066 0.179 0.915 1.00 0.00 N ATOM 0 H GLN A 85 -6.949 2.043 -3.167 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.007 3.735 -2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.161 1.275 -1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.406 2.156 -0.344 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.811 3.226 -0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.331 1.811 -0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.502 -0.145 0.052 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.066 -0.418 1.742 1.00 0.00 H new ATOM 1214 N LEU A 86 -6.045 4.487 -1.127 1.00 0.00 N ATOM 1215 CA LEU A 86 -5.289 5.515 -0.419 1.00 0.00 C ATOM 1216 C LEU A 86 -5.587 6.898 -0.990 1.00 0.00 C ATOM 1217 O LEU A 86 -5.718 7.871 -0.248 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.790 5.226 -0.507 1.00 0.00 C ATOM 1219 CG LEU A 86 -3.315 3.935 0.160 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -1.963 3.514 -0.395 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -3.243 4.110 1.670 1.00 0.00 C ATOM 0 H LEU A 86 -5.472 3.749 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.594 5.500 0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.508 5.193 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.252 6.062 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.036 3.148 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.641 2.593 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.047 3.347 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.231 4.300 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.903 3.181 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.543 4.910 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.231 4.364 2.054 1.00 0.00 H new