USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 515 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 CYS SG : rot 123:sc= 1.25 USER MOD Set 1.2: A 68 CYS SG : rot 116:sc= -0.369 USER MOD Set 1.3: A 73 CYS SG : rot -105:sc= 0.747 USER MOD Set 1.4: A 74 LYS NZ :NH3+ 165:sc= -0.0111 (180deg=-0.161) USER MOD Set 1.5: A 77 HIS :FLIP no HD1:sc= -1.94 F(o=-1.3,f=-0.33) USER MOD Set 2.1: A 26 CYS SG : rot 131:sc= 0.425 USER MOD Set 2.2: A 34 CYS SG : rot -152:sc= 0.661 USER MOD Set 2.3: A 41 CYS SG : rot 146:sc= -0.363 USER MOD Set 2.4: A 45 HIS :FLIP no HD1:sc= -0.732 F(o=-1.5,f=-0.0089) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 30 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.17) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 166:sc=-0.00594 (180deg=-0.141) USER MOD Single : A 48 LYS NZ :NH3+ -131:sc= -1.25 (180deg=-3.26!) USER MOD Single : A 49 SER OG : rot 180:sc=-0.00603 USER MOD Single : A 50 CYS SG : rot -8:sc= -1.84 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot -58:sc= 0.34 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.676 X(o=-0.68,f=-0.54) 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 HE2:sc= -11.3! C(o=-13!,f=-11!) USER MOD Single : A 83 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0598) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc=-0.00165 K(o=-0.0016,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -0.819 7.329 4.806 1.00 0.00 N ATOM 193 CA LEU A 21 -0.365 6.042 4.289 1.00 0.00 C ATOM 194 C LEU A 21 -0.787 4.904 5.213 1.00 0.00 C ATOM 195 O LEU A 21 -0.006 3.994 5.492 1.00 0.00 O ATOM 196 CB LEU A 21 1.156 6.044 4.125 1.00 0.00 C ATOM 197 CG LEU A 21 1.738 7.170 3.270 1.00 0.00 C ATOM 198 CD1 LEU A 21 3.212 7.371 3.582 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.539 6.874 1.791 1.00 0.00 C ATOM 0 HA LEU A 21 -0.829 5.885 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.608 6.096 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.455 5.091 3.688 1.00 0.00 H new ATOM 0 HG LEU A 21 1.209 8.092 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.608 8.176 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.329 7.630 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.757 6.451 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.959 7.686 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.041 5.941 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.474 6.783 1.578 1.00 0.00 H new ATOM 211 N THR A 22 -2.029 4.961 5.685 1.00 0.00 N ATOM 212 CA THR A 22 -2.555 3.936 6.577 1.00 0.00 C ATOM 213 C THR A 22 -3.562 3.046 5.857 1.00 0.00 C ATOM 214 O THR A 22 -4.120 3.429 4.828 1.00 0.00 O ATOM 215 CB THR A 22 -3.230 4.559 7.813 1.00 0.00 C ATOM 216 OG1 THR A 22 -4.103 5.621 7.412 1.00 0.00 O ATOM 217 CG2 THR A 22 -2.189 5.092 8.786 1.00 0.00 C ATOM 0 H THR A 22 -2.689 5.707 5.464 1.00 0.00 H new ATOM 0 HA THR A 22 -1.707 3.333 6.901 1.00 0.00 H new ATOM 0 HB THR A 22 -3.809 3.783 8.313 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.529 6.011 8.204 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.689 5.527 9.651 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.544 4.276 9.112 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.587 5.855 8.293 1.00 0.00 H new ATOM 225 N LEU A 23 -3.791 1.857 6.405 1.00 0.00 N ATOM 226 CA LEU A 23 -4.732 0.912 5.815 1.00 0.00 C ATOM 227 C LEU A 23 -5.321 -0.007 6.881 1.00 0.00 C ATOM 228 O LEU A 23 -4.625 -0.428 7.803 1.00 0.00 O ATOM 229 CB LEU A 23 -4.041 0.080 4.734 1.00 0.00 C ATOM 230 CG LEU A 23 -3.873 0.755 3.372 1.00 0.00 C ATOM 231 CD1 LEU A 23 -2.955 -0.065 2.479 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.226 0.957 2.706 1.00 0.00 C ATOM 0 H LEU A 23 -3.338 1.525 7.256 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.544 1.481 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.055 -0.206 5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.608 -0.840 4.594 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.417 1.733 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.848 0.431 1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.977 -0.158 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.382 -1.057 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.087 1.438 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.710 -0.009 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.852 1.587 3.338 1.00 0.00 H new ATOM 244 N GLU A 24 -6.607 -0.315 6.744 1.00 0.00 N ATOM 245 CA GLU A 24 -7.288 -1.186 7.696 1.00 0.00 C ATOM 246 C GLU A 24 -6.739 -2.607 7.622 1.00 0.00 C ATOM 247 O GLU A 24 -6.721 -3.224 6.556 1.00 0.00 O ATOM 248 CB GLU A 24 -8.794 -1.194 7.425 1.00 0.00 C ATOM 249 CG GLU A 24 -9.633 -1.479 8.660 1.00 0.00 C ATOM 250 CD GLU A 24 -9.834 -0.250 9.525 1.00 0.00 C ATOM 251 OE1 GLU A 24 -8.851 0.489 9.744 1.00 0.00 O ATOM 252 OE2 GLU A 24 -10.974 -0.027 9.982 1.00 0.00 O ATOM 0 H GLU A 24 -7.197 0.025 5.985 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.108 -0.798 8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.086 -0.228 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.014 -1.944 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.605 -1.866 8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.151 -2.259 9.250 1.00 0.00 H new ATOM 259 N VAL A 25 -6.290 -3.122 8.762 1.00 0.00 N ATOM 260 CA VAL A 25 -5.741 -4.471 8.828 1.00 0.00 C ATOM 261 C VAL A 25 -6.850 -5.517 8.819 1.00 0.00 C ATOM 262 O VAL A 25 -7.942 -5.284 9.337 1.00 0.00 O ATOM 263 CB VAL A 25 -4.878 -4.664 10.089 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.367 -6.095 10.172 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.722 -3.676 10.099 1.00 0.00 C ATOM 0 H VAL A 25 -6.296 -2.625 9.653 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.116 -4.602 7.945 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.497 -4.473 10.965 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.759 -6.213 11.069 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.213 -6.781 10.214 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.763 -6.317 9.293 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.123 -3.826 10.997 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.101 -3.834 9.217 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.113 -2.659 10.090 1.00 0.00 H new ATOM 275 N CYS A 26 -6.561 -6.672 8.228 1.00 0.00 N ATOM 276 CA CYS A 26 -7.533 -7.756 8.151 1.00 0.00 C ATOM 277 C CYS A 26 -7.744 -8.396 9.520 1.00 0.00 C ATOM 278 O CYS A 26 -6.906 -9.164 9.993 1.00 0.00 O ATOM 279 CB CYS A 26 -7.071 -8.814 7.147 1.00 0.00 C ATOM 280 SG CYS A 26 -8.244 -10.189 6.922 1.00 0.00 S ATOM 0 H CYS A 26 -5.661 -6.881 7.795 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.481 -7.336 7.815 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.901 -8.335 6.183 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.113 -9.218 7.476 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.439 -10.390 5.652 1.00 0.00 H new ATOM 285 N ARG A 27 -8.868 -8.074 10.151 1.00 0.00 N ATOM 286 CA ARG A 27 -9.189 -8.617 11.466 1.00 0.00 C ATOM 287 C ARG A 27 -8.761 -10.078 11.570 1.00 0.00 C ATOM 288 O ARG A 27 -8.004 -10.449 12.467 1.00 0.00 O ATOM 289 CB ARG A 27 -10.688 -8.493 11.741 1.00 0.00 C ATOM 290 CG ARG A 27 -11.039 -8.497 13.220 1.00 0.00 C ATOM 291 CD ARG A 27 -12.483 -8.915 13.448 1.00 0.00 C ATOM 292 NE ARG A 27 -12.928 -8.625 14.809 1.00 0.00 N ATOM 293 CZ ARG A 27 -14.170 -8.830 15.235 1.00 0.00 C ATOM 294 NH1 ARG A 27 -15.084 -9.323 14.412 1.00 0.00 N ATOM 295 NH2 ARG A 27 -14.498 -8.541 16.488 1.00 0.00 N ATOM 0 H ARG A 27 -9.572 -7.440 9.773 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.641 -8.042 12.212 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.056 -7.571 11.292 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.208 -9.316 11.251 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.374 -9.178 13.751 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.877 -7.503 13.636 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.127 -8.397 12.738 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.587 -9.982 13.252 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.249 -8.245 15.468 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.835 -9.546 13.448 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -16.036 -9.479 14.742 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.797 -8.161 17.124 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.451 -8.698 16.815 1.00 0.00 H new ATOM 309 N GLN A 28 -9.251 -10.900 10.648 1.00 0.00 N ATOM 310 CA GLN A 28 -8.920 -12.320 10.638 1.00 0.00 C ATOM 311 C GLN A 28 -7.409 -12.526 10.633 1.00 0.00 C ATOM 312 O GLN A 28 -6.860 -13.192 11.512 1.00 0.00 O ATOM 313 CB GLN A 28 -9.544 -13.002 9.419 1.00 0.00 C ATOM 314 CG GLN A 28 -10.988 -13.426 9.632 1.00 0.00 C ATOM 315 CD GLN A 28 -11.670 -13.842 8.344 1.00 0.00 C ATOM 316 OE1 GLN A 28 -11.092 -13.740 7.261 1.00 0.00 O ATOM 317 NE2 GLN A 28 -12.906 -14.315 8.454 1.00 0.00 N ATOM 0 H GLN A 28 -9.878 -10.607 9.899 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.327 -12.769 11.544 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.495 -12.322 8.568 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.951 -13.879 9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.019 -14.255 10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.542 -12.602 10.082 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.347 -14.382 9.371 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.415 -14.611 7.621 1.00 0.00 H new ATOM 326 N PHE A 29 -6.741 -11.952 9.638 1.00 0.00 N ATOM 327 CA PHE A 29 -5.293 -12.075 9.518 1.00 0.00 C ATOM 328 C PHE A 29 -4.629 -12.047 10.892 1.00 0.00 C ATOM 329 O PHE A 29 -3.877 -12.954 11.247 1.00 0.00 O ATOM 330 CB PHE A 29 -4.735 -10.948 8.646 1.00 0.00 C ATOM 331 CG PHE A 29 -3.235 -10.882 8.639 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.483 -11.964 8.209 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.576 -9.739 9.061 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.102 -11.907 8.203 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.195 -9.676 9.056 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.457 -10.761 8.625 1.00 0.00 C ATOM 0 H PHE A 29 -7.179 -11.397 8.903 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.072 -13.033 9.047 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.090 -11.081 7.624 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.131 -9.996 9.000 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.982 -12.862 7.875 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.148 -8.887 9.398 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.528 -12.758 7.868 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.694 -8.779 9.389 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.622 -10.713 8.618 1.00 0.00 H new ATOM 346 N GLN A 30 -4.913 -10.999 11.658 1.00 0.00 N ATOM 347 CA GLN A 30 -4.343 -10.852 12.992 1.00 0.00 C ATOM 348 C GLN A 30 -4.458 -12.152 13.780 1.00 0.00 C ATOM 349 O GLN A 30 -3.476 -12.639 14.341 1.00 0.00 O ATOM 350 CB GLN A 30 -5.043 -9.720 13.747 1.00 0.00 C ATOM 351 CG GLN A 30 -4.381 -8.364 13.561 1.00 0.00 C ATOM 352 CD GLN A 30 -2.983 -8.312 14.144 1.00 0.00 C ATOM 353 OE1 GLN A 30 -2.807 -8.172 15.355 1.00 0.00 O ATOM 354 NE2 GLN A 30 -1.978 -8.426 13.284 1.00 0.00 N ATOM 0 H GLN A 30 -5.534 -10.240 11.378 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.286 -10.608 12.883 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.079 -9.658 13.413 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.064 -9.962 14.810 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.336 -8.129 12.498 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.995 -7.596 14.031 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.169 -8.540 12.289 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.015 -8.399 13.619 1.00 0.00 H new ATOM 363 N ARG A 31 -5.664 -12.710 13.819 1.00 0.00 N ATOM 364 CA ARG A 31 -5.908 -13.953 14.539 1.00 0.00 C ATOM 365 C ARG A 31 -5.265 -15.135 13.818 1.00 0.00 C ATOM 366 O ARG A 31 -4.876 -16.120 14.444 1.00 0.00 O ATOM 367 CB ARG A 31 -7.411 -14.192 14.693 1.00 0.00 C ATOM 368 CG ARG A 31 -8.092 -13.207 15.629 1.00 0.00 C ATOM 369 CD ARG A 31 -8.200 -11.826 15.001 1.00 0.00 C ATOM 370 NE ARG A 31 -8.943 -10.896 15.848 1.00 0.00 N ATOM 371 CZ ARG A 31 -10.259 -10.949 16.018 1.00 0.00 C ATOM 372 NH1 ARG A 31 -10.974 -11.881 15.403 1.00 0.00 N ATOM 373 NH2 ARG A 31 -10.864 -10.068 16.804 1.00 0.00 N ATOM 0 H ARG A 31 -6.487 -12.320 13.360 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.458 -13.865 15.528 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.882 -14.133 13.712 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.573 -15.204 15.064 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.088 -13.572 15.882 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.531 -13.141 16.561 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.200 -11.431 14.819 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.692 -11.906 14.032 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.423 -10.166 16.335 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.513 -12.560 14.797 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.985 -11.919 15.536 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.318 -9.349 17.279 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.875 -10.110 16.934 1.00 0.00 H new ATOM 387 N GLY A 32 -5.159 -15.029 12.497 1.00 0.00 N ATOM 388 CA GLY A 32 -4.564 -16.095 11.713 1.00 0.00 C ATOM 389 C GLY A 32 -5.604 -16.999 11.081 1.00 0.00 C ATOM 390 O GLY A 32 -5.308 -18.136 10.710 1.00 0.00 O ATOM 0 H GLY A 32 -5.475 -14.224 11.956 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.940 -15.662 10.931 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.910 -16.689 12.351 1.00 0.00 H new ATOM 394 N THR A 33 -6.829 -16.496 10.959 1.00 0.00 N ATOM 395 CA THR A 33 -7.916 -17.267 10.371 1.00 0.00 C ATOM 396 C THR A 33 -8.294 -16.725 8.997 1.00 0.00 C ATOM 397 O THR A 33 -9.463 -16.745 8.610 1.00 0.00 O ATOM 398 CB THR A 33 -9.164 -17.258 11.274 1.00 0.00 C ATOM 399 OG1 THR A 33 -9.724 -15.941 11.322 1.00 0.00 O ATOM 400 CG2 THR A 33 -8.816 -17.718 12.682 1.00 0.00 C ATOM 0 H THR A 33 -7.092 -15.558 11.260 1.00 0.00 H new ATOM 0 HA THR A 33 -7.557 -18.291 10.269 1.00 0.00 H new ATOM 0 HB THR A 33 -9.895 -17.948 10.853 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.518 -15.944 11.897 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.713 -17.703 13.302 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.417 -18.732 12.645 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.069 -17.049 13.109 1.00 0.00 H new ATOM 408 N CYS A 34 -7.298 -16.242 8.262 1.00 0.00 N ATOM 409 CA CYS A 34 -7.525 -15.694 6.930 1.00 0.00 C ATOM 410 C CYS A 34 -6.807 -16.525 5.871 1.00 0.00 C ATOM 411 O CYS A 34 -5.578 -16.533 5.801 1.00 0.00 O ATOM 412 CB CYS A 34 -7.048 -14.242 6.865 1.00 0.00 C ATOM 413 SG CYS A 34 -6.972 -13.560 5.177 1.00 0.00 S ATOM 0 H CYS A 34 -6.325 -16.219 8.567 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.596 -15.727 6.728 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.716 -13.624 7.465 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.059 -14.175 7.317 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.063 -12.632 5.124 1.00 0.00 H new ATOM 418 N SER A 35 -7.583 -17.223 5.048 1.00 0.00 N ATOM 419 CA SER A 35 -7.022 -18.061 3.994 1.00 0.00 C ATOM 420 C SER A 35 -7.127 -17.370 2.638 1.00 0.00 C ATOM 421 O SER A 35 -7.272 -18.025 1.605 1.00 0.00 O ATOM 422 CB SER A 35 -7.741 -19.410 3.949 1.00 0.00 C ATOM 423 OG SER A 35 -6.902 -20.417 3.408 1.00 0.00 O ATOM 0 H SER A 35 -8.602 -17.225 5.091 1.00 0.00 H new ATOM 0 HA SER A 35 -5.968 -18.227 4.217 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.053 -19.693 4.954 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.646 -19.324 3.347 1.00 0.00 H new ATOM 0 HG SER A 35 -7.384 -21.270 3.391 1.00 0.00 H new ATOM 429 N ARG A 36 -7.052 -16.043 2.649 1.00 0.00 N ATOM 430 CA ARG A 36 -7.140 -15.263 1.421 1.00 0.00 C ATOM 431 C ARG A 36 -5.835 -14.517 1.156 1.00 0.00 C ATOM 432 O ARG A 36 -5.235 -13.952 2.070 1.00 0.00 O ATOM 433 CB ARG A 36 -8.300 -14.268 1.505 1.00 0.00 C ATOM 434 CG ARG A 36 -9.667 -14.930 1.550 1.00 0.00 C ATOM 435 CD ARG A 36 -10.778 -13.932 1.264 1.00 0.00 C ATOM 436 NE ARG A 36 -12.101 -14.546 1.349 1.00 0.00 N ATOM 437 CZ ARG A 36 -12.687 -15.172 0.334 1.00 0.00 C ATOM 438 NH1 ARG A 36 -12.070 -15.266 -0.836 1.00 0.00 N ATOM 439 NH2 ARG A 36 -13.892 -15.706 0.489 1.00 0.00 N ATOM 0 H ARG A 36 -6.931 -15.486 3.495 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.320 -15.952 0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.175 -13.651 2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.257 -13.600 0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.705 -15.738 0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.823 -15.379 2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.715 -13.107 1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.638 -13.509 0.269 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.602 -14.491 2.236 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.144 -14.857 -0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.522 -15.747 -1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.369 -15.636 1.388 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.341 -16.186 -0.291 1.00 0.00 H new ATOM 453 N SER A 37 -5.402 -14.521 -0.100 1.00 0.00 N ATOM 454 CA SER A 37 -4.166 -13.850 -0.485 1.00 0.00 C ATOM 455 C SER A 37 -4.331 -12.334 -0.427 1.00 0.00 C ATOM 456 O SER A 37 -5.372 -11.827 -0.010 1.00 0.00 O ATOM 457 CB SER A 37 -3.746 -14.275 -1.893 1.00 0.00 C ATOM 458 OG SER A 37 -4.643 -13.768 -2.867 1.00 0.00 O ATOM 0 H SER A 37 -5.889 -14.982 -0.869 1.00 0.00 H new ATOM 0 HA SER A 37 -3.388 -14.142 0.221 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.738 -13.915 -2.100 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.715 -15.363 -1.954 1.00 0.00 H new ATOM 0 HG SER A 37 -4.352 -14.052 -3.759 1.00 0.00 H new ATOM 464 N ASP A 38 -3.295 -11.616 -0.847 1.00 0.00 N ATOM 465 CA ASP A 38 -3.324 -10.158 -0.845 1.00 0.00 C ATOM 466 C ASP A 38 -4.107 -9.628 -2.042 1.00 0.00 C ATOM 467 O ASP A 38 -4.767 -8.593 -1.954 1.00 0.00 O ATOM 468 CB ASP A 38 -1.900 -9.599 -0.862 1.00 0.00 C ATOM 469 CG ASP A 38 -0.997 -10.344 -1.825 1.00 0.00 C ATOM 470 OD1 ASP A 38 -0.666 -11.514 -1.542 1.00 0.00 O ATOM 471 OD2 ASP A 38 -0.620 -9.757 -2.861 1.00 0.00 O ATOM 0 H ASP A 38 -2.425 -12.020 -1.193 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.824 -9.830 0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.930 -8.545 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.479 -9.654 0.142 1.00 0.00 H new ATOM 476 N GLU A 39 -4.027 -10.344 -3.159 1.00 0.00 N ATOM 477 CA GLU A 39 -4.726 -9.944 -4.374 1.00 0.00 C ATOM 478 C GLU A 39 -6.201 -10.329 -4.305 1.00 0.00 C ATOM 479 O GLU A 39 -7.016 -9.848 -5.091 1.00 0.00 O ATOM 480 CB GLU A 39 -4.077 -10.589 -5.600 1.00 0.00 C ATOM 481 CG GLU A 39 -4.574 -10.025 -6.920 1.00 0.00 C ATOM 482 CD GLU A 39 -5.848 -10.695 -7.398 1.00 0.00 C ATOM 483 OE1 GLU A 39 -6.025 -11.900 -7.121 1.00 0.00 O ATOM 484 OE2 GLU A 39 -6.668 -10.014 -8.048 1.00 0.00 O ATOM 0 H GLU A 39 -3.485 -11.204 -3.247 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.654 -8.860 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.997 -10.455 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.267 -11.662 -5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.750 -8.955 -6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.799 -10.145 -7.677 1.00 0.00 H new ATOM 491 N GLU A 40 -6.535 -11.201 -3.358 1.00 0.00 N ATOM 492 CA GLU A 40 -7.911 -11.652 -3.187 1.00 0.00 C ATOM 493 C GLU A 40 -8.590 -10.906 -2.041 1.00 0.00 C ATOM 494 O GLU A 40 -9.653 -10.311 -2.217 1.00 0.00 O ATOM 495 CB GLU A 40 -7.948 -13.158 -2.922 1.00 0.00 C ATOM 496 CG GLU A 40 -7.763 -14.001 -4.173 1.00 0.00 C ATOM 497 CD GLU A 40 -9.020 -14.072 -5.019 1.00 0.00 C ATOM 498 OE1 GLU A 40 -9.838 -13.131 -4.945 1.00 0.00 O ATOM 499 OE2 GLU A 40 -9.185 -15.067 -5.755 1.00 0.00 O ATOM 0 H GLU A 40 -5.872 -11.608 -2.699 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.453 -11.439 -4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.167 -13.411 -2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.901 -13.414 -2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.951 -13.586 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.465 -15.009 -3.886 1.00 0.00 H new ATOM 506 N CYS A 41 -7.968 -10.944 -0.868 1.00 0.00 N ATOM 507 CA CYS A 41 -8.510 -10.274 0.308 1.00 0.00 C ATOM 508 C CYS A 41 -8.506 -8.759 0.121 1.00 0.00 C ATOM 509 O CYS A 41 -7.514 -8.180 -0.322 1.00 0.00 O ATOM 510 CB CYS A 41 -7.702 -10.647 1.552 1.00 0.00 C ATOM 511 SG CYS A 41 -8.659 -10.601 3.102 1.00 0.00 S ATOM 0 H CYS A 41 -7.087 -11.432 -0.706 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.540 -10.604 0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.293 -11.649 1.420 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.855 -9.966 1.640 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.226 -11.526 3.907 1.00 0.00 H new ATOM 516 N LYS A 42 -9.622 -8.124 0.463 1.00 0.00 N ATOM 517 CA LYS A 42 -9.748 -6.677 0.335 1.00 0.00 C ATOM 518 C LYS A 42 -9.081 -5.966 1.509 1.00 0.00 C ATOM 519 O LYS A 42 -9.294 -4.774 1.728 1.00 0.00 O ATOM 520 CB LYS A 42 -11.223 -6.278 0.255 1.00 0.00 C ATOM 521 CG LYS A 42 -12.050 -6.767 1.432 1.00 0.00 C ATOM 522 CD LYS A 42 -12.145 -5.713 2.522 1.00 0.00 C ATOM 523 CE LYS A 42 -13.060 -4.568 2.113 1.00 0.00 C ATOM 524 NZ LYS A 42 -14.489 -4.984 2.084 1.00 0.00 N ATOM 0 H LYS A 42 -10.452 -8.589 0.831 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.245 -6.374 -0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.294 -5.192 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.649 -6.674 -0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.051 -7.030 1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.604 -7.674 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.519 -6.169 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.150 -5.325 2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.937 -3.738 2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.768 -4.203 1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.095 -4.140 2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.660 -5.580 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.711 -5.522 2.946 1.00 0.00 H new ATOM 538 N PHE A 43 -8.273 -6.706 2.260 1.00 0.00 N ATOM 539 CA PHE A 43 -7.574 -6.147 3.412 1.00 0.00 C ATOM 540 C PHE A 43 -6.066 -6.333 3.276 1.00 0.00 C ATOM 541 O PHE A 43 -5.600 -7.154 2.487 1.00 0.00 O ATOM 542 CB PHE A 43 -8.067 -6.804 4.703 1.00 0.00 C ATOM 543 CG PHE A 43 -9.475 -6.429 5.067 1.00 0.00 C ATOM 544 CD1 PHE A 43 -9.897 -5.112 4.988 1.00 0.00 C ATOM 545 CD2 PHE A 43 -10.376 -7.393 5.488 1.00 0.00 C ATOM 546 CE1 PHE A 43 -11.192 -4.764 5.323 1.00 0.00 C ATOM 547 CE2 PHE A 43 -11.673 -7.051 5.825 1.00 0.00 C ATOM 548 CZ PHE A 43 -12.081 -5.735 5.741 1.00 0.00 C ATOM 0 H PHE A 43 -8.086 -7.694 2.092 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.788 -5.079 3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.004 -7.887 4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.402 -6.524 5.520 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.206 -4.349 4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.062 -8.424 5.554 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.509 -3.733 5.258 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -12.365 -7.812 6.153 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.094 -5.465 6.002 1.00 0.00 H new ATOM 558 N ALA A 44 -5.309 -5.565 4.052 1.00 0.00 N ATOM 559 CA ALA A 44 -3.854 -5.645 4.021 1.00 0.00 C ATOM 560 C ALA A 44 -3.330 -6.544 5.135 1.00 0.00 C ATOM 561 O ALA A 44 -3.769 -6.449 6.282 1.00 0.00 O ATOM 562 CB ALA A 44 -3.246 -4.255 4.131 1.00 0.00 C ATOM 0 H ALA A 44 -5.680 -4.880 4.710 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.559 -6.083 3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.159 -4.330 4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.586 -3.642 3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.557 -3.795 5.069 1.00 0.00 H new ATOM 568 N HIS A 45 -2.388 -7.418 4.791 1.00 0.00 N ATOM 569 CA HIS A 45 -1.804 -8.335 5.764 1.00 0.00 C ATOM 570 C HIS A 45 -0.310 -8.072 5.929 1.00 0.00 C ATOM 571 O HIS A 45 0.523 -8.605 5.197 1.00 0.00 O ATOM 572 CB HIS A 45 -2.034 -9.783 5.332 1.00 0.00 C ATOM 573 CG HIS A 45 -3.434 -10.057 4.874 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.583 -9.371 5.080 1.00 0.00 N flip ATOM 575 CD2 HIS A 45 -3.774 -11.152 4.108 1.00 0.00 C flip ATOM 576 CE1 HIS A 45 -5.586 -10.057 4.440 1.00 0.00 C flip ATOM 577 NE2 HIS A 45 -5.072 -11.127 3.861 1.00 0.00 N flip ATOM 0 H HIS A 45 -2.013 -7.510 3.847 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.293 -8.168 6.724 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.342 -10.027 4.526 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.797 -10.444 6.166 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.087 -11.911 3.764 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.626 -9.768 4.414 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.589 -11.817 3.316 1.00 0.00 H new ATOM 585 N PRO A 46 0.037 -7.230 6.914 1.00 0.00 N ATOM 586 CA PRO A 46 1.431 -6.877 7.198 1.00 0.00 C ATOM 587 C PRO A 46 2.217 -8.045 7.786 1.00 0.00 C ATOM 588 O PRO A 46 1.714 -8.810 8.609 1.00 0.00 O ATOM 589 CB PRO A 46 1.309 -5.745 8.222 1.00 0.00 C ATOM 590 CG PRO A 46 -0.007 -5.972 8.881 1.00 0.00 C ATOM 591 CD PRO A 46 -0.904 -6.558 7.826 1.00 0.00 C ATOM 0 HA PRO A 46 1.972 -6.596 6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.124 -5.775 8.945 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.347 -4.768 7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.093 -6.650 9.729 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.416 -5.038 9.266 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.621 -7.260 8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.479 -5.787 7.314 1.00 0.00 H new ATOM 599 N PRO A 47 3.479 -8.186 7.356 1.00 0.00 N ATOM 600 CA PRO A 47 4.361 -9.258 7.828 1.00 0.00 C ATOM 601 C PRO A 47 4.774 -9.070 9.283 1.00 0.00 C ATOM 602 O PRO A 47 4.495 -8.035 9.890 1.00 0.00 O ATOM 603 CB PRO A 47 5.579 -9.146 6.907 1.00 0.00 C ATOM 604 CG PRO A 47 5.586 -7.726 6.459 1.00 0.00 C ATOM 605 CD PRO A 47 4.143 -7.310 6.376 1.00 0.00 C ATOM 0 HA PRO A 47 3.873 -10.232 7.795 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.499 -9.399 7.434 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.499 -9.828 6.060 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.133 -7.098 7.162 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.078 -7.625 5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.013 -6.257 6.626 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.741 -7.452 5.373 1.00 0.00 H new ATOM 613 N LYS A 48 5.441 -10.076 9.839 1.00 0.00 N ATOM 614 CA LYS A 48 5.895 -10.021 11.224 1.00 0.00 C ATOM 615 C LYS A 48 6.947 -8.932 11.409 1.00 0.00 C ATOM 616 O LYS A 48 6.944 -8.218 12.411 1.00 0.00 O ATOM 617 CB LYS A 48 6.468 -11.375 11.648 1.00 0.00 C ATOM 618 CG LYS A 48 6.827 -11.449 13.122 1.00 0.00 C ATOM 619 CD LYS A 48 5.692 -12.037 13.943 1.00 0.00 C ATOM 620 CE LYS A 48 4.578 -11.023 14.160 1.00 0.00 C ATOM 621 NZ LYS A 48 3.544 -11.098 13.091 1.00 0.00 N ATOM 0 H LYS A 48 5.679 -10.940 9.351 1.00 0.00 H new ATOM 0 HA LYS A 48 5.037 -9.783 11.852 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.741 -12.155 11.420 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.358 -11.585 11.055 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.722 -12.057 13.249 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.065 -10.451 13.490 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.292 -12.916 13.437 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.074 -12.371 14.907 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.111 -11.198 15.129 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.001 -10.019 14.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.350 -10.143 12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.889 -11.700 12.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.670 -11.503 13.482 1.00 0.00 H new ATOM 635 N SER A 49 7.844 -8.810 10.435 1.00 0.00 N ATOM 636 CA SER A 49 8.902 -7.809 10.493 1.00 0.00 C ATOM 637 C SER A 49 8.317 -6.400 10.525 1.00 0.00 C ATOM 638 O SER A 49 8.768 -5.545 11.288 1.00 0.00 O ATOM 639 CB SER A 49 9.839 -7.957 9.292 1.00 0.00 C ATOM 640 OG SER A 49 9.142 -7.760 8.074 1.00 0.00 O ATOM 0 H SER A 49 7.859 -9.392 9.597 1.00 0.00 H new ATOM 0 HA SER A 49 9.469 -7.969 11.410 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.652 -7.235 9.370 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.291 -8.949 9.300 1.00 0.00 H new ATOM 0 HG SER A 49 9.763 -7.858 7.322 1.00 0.00 H new ATOM 646 N CYS A 50 7.310 -6.166 9.691 1.00 0.00 N ATOM 647 CA CYS A 50 6.662 -4.861 9.621 1.00 0.00 C ATOM 648 C CYS A 50 5.851 -4.589 10.884 1.00 0.00 C ATOM 649 O CYS A 50 5.250 -5.499 11.454 1.00 0.00 O ATOM 650 CB CYS A 50 5.756 -4.783 8.392 1.00 0.00 C ATOM 651 SG CYS A 50 6.646 -4.577 6.831 1.00 0.00 S ATOM 0 H CYS A 50 6.924 -6.863 9.054 1.00 0.00 H new ATOM 0 HA CYS A 50 7.439 -4.101 9.539 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.155 -5.691 8.338 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.064 -3.950 8.516 1.00 0.00 H new ATOM 0 HG CYS A 50 7.904 -4.357 7.074 1.00 0.00 H new ATOM 657 N GLN A 51 5.840 -3.332 11.315 1.00 0.00 N ATOM 658 CA GLN A 51 5.105 -2.941 12.512 1.00 0.00 C ATOM 659 C GLN A 51 3.624 -2.749 12.202 1.00 0.00 C ATOM 660 O GLN A 51 3.262 -2.256 11.134 1.00 0.00 O ATOM 661 CB GLN A 51 5.688 -1.653 13.097 1.00 0.00 C ATOM 662 CG GLN A 51 4.857 -1.068 14.228 1.00 0.00 C ATOM 663 CD GLN A 51 5.427 0.232 14.758 1.00 0.00 C ATOM 664 OE1 GLN A 51 5.274 1.288 14.143 1.00 0.00 O ATOM 665 NE2 GLN A 51 6.091 0.163 15.907 1.00 0.00 N ATOM 0 H GLN A 51 6.332 -2.567 10.853 1.00 0.00 H new ATOM 0 HA GLN A 51 5.203 -3.741 13.246 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.695 -1.853 13.463 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.779 -0.912 12.303 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.840 -0.897 13.876 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.796 -1.792 15.041 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.194 -0.733 16.383 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.498 1.006 16.312 1.00 0.00 H new ATOM 674 N VAL A 52 2.772 -3.141 13.144 1.00 0.00 N ATOM 675 CA VAL A 52 1.330 -3.011 12.972 1.00 0.00 C ATOM 676 C VAL A 52 0.723 -2.138 14.065 1.00 0.00 C ATOM 677 O VAL A 52 0.946 -2.368 15.253 1.00 0.00 O ATOM 678 CB VAL A 52 0.637 -4.386 12.985 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.869 -4.227 12.843 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.194 -5.273 11.882 1.00 0.00 C ATOM 0 H VAL A 52 3.055 -3.551 14.034 1.00 0.00 H new ATOM 0 HA VAL A 52 1.168 -2.540 12.002 1.00 0.00 H new ATOM 0 HB VAL A 52 0.838 -4.866 13.943 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.341 -5.209 12.854 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.252 -3.631 13.671 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.095 -3.727 11.901 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.693 -6.241 11.906 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.025 -4.800 10.915 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.264 -5.414 12.034 1.00 0.00 H new ATOM 690 N GLU A 53 -0.047 -1.135 13.654 1.00 0.00 N ATOM 691 CA GLU A 53 -0.686 -0.227 14.599 1.00 0.00 C ATOM 692 C GLU A 53 -2.002 -0.809 15.108 1.00 0.00 C ATOM 693 O GLU A 53 -2.499 -1.802 14.579 1.00 0.00 O ATOM 694 CB GLU A 53 -0.938 1.133 13.943 1.00 0.00 C ATOM 695 CG GLU A 53 -1.175 2.255 14.940 1.00 0.00 C ATOM 696 CD GLU A 53 -0.845 3.621 14.370 1.00 0.00 C ATOM 697 OE1 GLU A 53 0.271 3.788 13.835 1.00 0.00 O ATOM 698 OE2 GLU A 53 -1.704 4.523 14.459 1.00 0.00 O ATOM 0 H GLU A 53 -0.243 -0.931 12.674 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.014 -0.095 15.447 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.083 1.389 13.317 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.803 1.055 13.285 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.218 2.240 15.257 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.569 2.080 15.829 1.00 0.00 H new ATOM 705 N ASN A 54 -2.559 -0.184 16.140 1.00 0.00 N ATOM 706 CA ASN A 54 -3.815 -0.640 16.723 1.00 0.00 C ATOM 707 C ASN A 54 -4.896 -0.766 15.654 1.00 0.00 C ATOM 708 O ASN A 54 -5.411 0.234 15.155 1.00 0.00 O ATOM 709 CB ASN A 54 -4.275 0.326 17.817 1.00 0.00 C ATOM 710 CG ASN A 54 -3.472 0.176 19.095 1.00 0.00 C ATOM 711 OD1 ASN A 54 -2.524 0.924 19.337 1.00 0.00 O ATOM 712 ND2 ASN A 54 -3.848 -0.794 19.919 1.00 0.00 N ATOM 0 H ASN A 54 -2.160 0.640 16.590 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.647 -1.623 17.163 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.187 1.350 17.454 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.330 0.153 18.031 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.345 -0.944 20.794 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.640 -1.390 19.678 1.00 0.00 H new ATOM 719 N GLY A 55 -5.236 -2.004 15.306 1.00 0.00 N ATOM 720 CA GLY A 55 -6.254 -2.239 14.299 1.00 0.00 C ATOM 721 C GLY A 55 -5.955 -1.525 12.995 1.00 0.00 C ATOM 722 O GLY A 55 -6.867 -1.199 12.235 1.00 0.00 O ATOM 0 H GLY A 55 -4.824 -2.848 15.704 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.336 -3.310 14.113 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.220 -1.906 14.679 1.00 0.00 H new ATOM 726 N ARG A 56 -4.675 -1.281 12.736 1.00 0.00 N ATOM 727 CA ARG A 56 -4.259 -0.599 11.517 1.00 0.00 C ATOM 728 C ARG A 56 -2.824 -0.965 11.151 1.00 0.00 C ATOM 729 O ARG A 56 -2.139 -1.660 11.902 1.00 0.00 O ATOM 730 CB ARG A 56 -4.382 0.917 11.688 1.00 0.00 C ATOM 731 CG ARG A 56 -4.726 1.649 10.401 1.00 0.00 C ATOM 732 CD ARG A 56 -5.308 3.025 10.682 1.00 0.00 C ATOM 733 NE ARG A 56 -6.754 2.979 10.877 1.00 0.00 N ATOM 734 CZ ARG A 56 -7.436 3.900 11.549 1.00 0.00 C ATOM 735 NH1 ARG A 56 -6.804 4.935 12.087 1.00 0.00 N ATOM 736 NH2 ARG A 56 -8.751 3.789 11.683 1.00 0.00 N ATOM 0 H ARG A 56 -3.908 -1.546 13.354 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.915 -0.922 10.709 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.149 1.129 12.433 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.442 1.308 12.078 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.830 1.750 9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.441 1.061 9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.836 3.444 11.571 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.075 3.693 9.853 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.269 2.196 10.475 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.793 5.024 11.985 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.329 5.641 12.603 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.241 2.995 11.270 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.273 4.497 12.199 1.00 0.00 H new ATOM 750 N VAL A 57 -2.374 -0.494 9.993 1.00 0.00 N ATOM 751 CA VAL A 57 -1.021 -0.771 9.527 1.00 0.00 C ATOM 752 C VAL A 57 -0.573 0.257 8.495 1.00 0.00 C ATOM 753 O VAL A 57 -1.348 0.656 7.625 1.00 0.00 O ATOM 754 CB VAL A 57 -0.917 -2.179 8.911 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.798 -2.289 7.676 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.530 -2.507 8.575 1.00 0.00 C ATOM 0 H VAL A 57 -2.928 0.082 9.359 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.369 -0.714 10.398 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.270 -2.904 9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.711 -3.291 7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.836 -2.100 7.951 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.480 -1.555 6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.585 -3.505 8.141 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.912 -1.778 7.860 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.131 -2.473 9.484 1.00 0.00 H new ATOM 766 N ILE A 58 0.682 0.682 8.597 1.00 0.00 N ATOM 767 CA ILE A 58 1.233 1.663 7.671 1.00 0.00 C ATOM 768 C ILE A 58 1.712 0.998 6.386 1.00 0.00 C ATOM 769 O ILE A 58 2.290 -0.088 6.415 1.00 0.00 O ATOM 770 CB ILE A 58 2.406 2.436 8.303 1.00 0.00 C ATOM 771 CG1 ILE A 58 1.936 3.192 9.548 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.014 3.397 7.291 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.070 3.696 10.413 1.00 0.00 C ATOM 0 H ILE A 58 1.336 0.362 9.312 1.00 0.00 H new ATOM 0 HA ILE A 58 0.430 2.362 7.438 1.00 0.00 H new ATOM 0 HB ILE A 58 3.173 1.722 8.603 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.322 4.038 9.239 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.300 2.536 10.143 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.842 3.936 7.753 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.381 2.836 6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.256 4.108 6.963 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.663 4.222 11.277 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.672 2.853 10.752 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.694 4.377 9.834 1.00 0.00 H new ATOM 785 N ALA A 59 1.468 1.657 5.258 1.00 0.00 N ATOM 786 CA ALA A 59 1.877 1.131 3.961 1.00 0.00 C ATOM 787 C ALA A 59 3.237 1.684 3.549 1.00 0.00 C ATOM 788 O ALA A 59 3.681 2.713 4.060 1.00 0.00 O ATOM 789 CB ALA A 59 0.831 1.457 2.906 1.00 0.00 C ATOM 0 H ALA A 59 0.989 2.557 5.216 1.00 0.00 H new ATOM 0 HA ALA A 59 1.965 0.048 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.149 1.058 1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.122 1.008 3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.715 2.538 2.831 1.00 0.00 H new ATOM 795 N CYS A 60 3.895 0.995 2.623 1.00 0.00 N ATOM 796 CA CYS A 60 5.205 1.416 2.142 1.00 0.00 C ATOM 797 C CYS A 60 5.070 2.378 0.965 1.00 0.00 C ATOM 798 O CYS A 60 4.116 2.298 0.191 1.00 0.00 O ATOM 799 CB CYS A 60 6.035 0.199 1.728 1.00 0.00 C ATOM 800 SG CYS A 60 7.686 0.612 1.079 1.00 0.00 S ATOM 0 H CYS A 60 3.542 0.142 2.190 1.00 0.00 H new ATOM 0 HA CYS A 60 5.713 1.934 2.955 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.149 -0.460 2.589 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.487 -0.360 0.969 1.00 0.00 H new ATOM 0 HG CYS A 60 8.594 0.011 1.789 1.00 0.00 H new ATOM 805 N PHE A 61 6.031 3.286 0.836 1.00 0.00 N ATOM 806 CA PHE A 61 6.020 4.264 -0.246 1.00 0.00 C ATOM 807 C PHE A 61 6.494 3.634 -1.552 1.00 0.00 C ATOM 808 O PHE A 61 5.778 3.644 -2.554 1.00 0.00 O ATOM 809 CB PHE A 61 6.906 5.459 0.109 1.00 0.00 C ATOM 810 CG PHE A 61 6.933 6.522 -0.952 1.00 0.00 C ATOM 811 CD1 PHE A 61 5.779 7.210 -1.291 1.00 0.00 C ATOM 812 CD2 PHE A 61 8.112 6.832 -1.611 1.00 0.00 C ATOM 813 CE1 PHE A 61 5.800 8.189 -2.266 1.00 0.00 C ATOM 814 CE2 PHE A 61 8.139 7.810 -2.587 1.00 0.00 C ATOM 815 CZ PHE A 61 6.981 8.488 -2.916 1.00 0.00 C ATOM 0 H PHE A 61 6.828 3.365 1.468 1.00 0.00 H new ATOM 0 HA PHE A 61 4.995 4.609 -0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.554 5.898 1.043 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.923 5.108 0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.852 6.978 -0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.020 6.304 -1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.894 8.720 -2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.064 8.044 -3.092 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.999 9.251 -3.680 1.00 0.00 H new ATOM 825 N ASP A 62 7.705 3.089 -1.534 1.00 0.00 N ATOM 826 CA ASP A 62 8.276 2.454 -2.716 1.00 0.00 C ATOM 827 C ASP A 62 7.308 1.432 -3.305 1.00 0.00 C ATOM 828 O ASP A 62 7.040 1.437 -4.506 1.00 0.00 O ATOM 829 CB ASP A 62 9.603 1.778 -2.368 1.00 0.00 C ATOM 830 CG ASP A 62 10.728 2.775 -2.178 1.00 0.00 C ATOM 831 OD1 ASP A 62 10.485 3.834 -1.563 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.853 2.497 -2.645 1.00 0.00 O ATOM 0 H ASP A 62 8.311 3.074 -0.713 1.00 0.00 H new ATOM 0 HA ASP A 62 8.457 3.228 -3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.481 1.194 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.870 1.080 -3.161 1.00 0.00 H new ATOM 837 N SER A 63 6.789 0.556 -2.450 1.00 0.00 N ATOM 838 CA SER A 63 5.856 -0.476 -2.887 1.00 0.00 C ATOM 839 C SER A 63 4.846 0.090 -3.881 1.00 0.00 C ATOM 840 O SER A 63 4.495 -0.561 -4.866 1.00 0.00 O ATOM 841 CB SER A 63 5.124 -1.073 -1.683 1.00 0.00 C ATOM 842 OG SER A 63 4.179 -0.157 -1.155 1.00 0.00 O ATOM 0 H SER A 63 6.999 0.540 -1.452 1.00 0.00 H new ATOM 0 HA SER A 63 6.427 -1.261 -3.383 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.618 -1.992 -1.980 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.845 -1.341 -0.911 1.00 0.00 H new ATOM 0 HG SER A 63 4.635 0.671 -0.896 1.00 0.00 H new ATOM 848 N LEU A 64 4.383 1.307 -3.616 1.00 0.00 N ATOM 849 CA LEU A 64 3.414 1.962 -4.487 1.00 0.00 C ATOM 850 C LEU A 64 3.904 1.980 -5.931 1.00 0.00 C ATOM 851 O LEU A 64 3.129 1.767 -6.864 1.00 0.00 O ATOM 852 CB LEU A 64 3.153 3.391 -4.007 1.00 0.00 C ATOM 853 CG LEU A 64 2.843 3.553 -2.519 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.800 5.026 -2.140 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.528 2.872 -2.170 1.00 0.00 C ATOM 0 H LEU A 64 4.663 1.859 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 64 2.484 1.395 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.027 3.998 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.318 3.798 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 64 3.639 3.075 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.578 5.122 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.766 5.485 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.025 5.528 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.324 2.998 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.721 3.320 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.595 1.809 -2.403 1.00 0.00 H new ATOM 867 N LYS A 65 5.196 2.235 -6.109 1.00 0.00 N ATOM 868 CA LYS A 65 5.791 2.277 -7.440 1.00 0.00 C ATOM 869 C LYS A 65 5.805 0.890 -8.074 1.00 0.00 C ATOM 870 O LYS A 65 5.725 0.755 -9.295 1.00 0.00 O ATOM 871 CB LYS A 65 7.217 2.829 -7.365 1.00 0.00 C ATOM 872 CG LYS A 65 7.290 4.258 -6.856 1.00 0.00 C ATOM 873 CD LYS A 65 6.683 5.235 -7.849 1.00 0.00 C ATOM 874 CE LYS A 65 7.579 5.424 -9.064 1.00 0.00 C ATOM 875 NZ LYS A 65 6.907 6.215 -10.132 1.00 0.00 N ATOM 0 H LYS A 65 5.851 2.416 -5.348 1.00 0.00 H new ATOM 0 HA LYS A 65 5.184 2.935 -8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.811 2.189 -6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.669 2.782 -8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.766 4.333 -5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.330 4.526 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.707 4.871 -8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.521 6.197 -7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.498 5.928 -8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.865 4.449 -9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.550 6.321 -10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.044 5.722 -10.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.657 7.155 -9.763 1.00 0.00 H new ATOM 889 N GLY A 66 5.904 -0.138 -7.237 1.00 0.00 N ATOM 890 CA GLY A 66 5.924 -1.501 -7.736 1.00 0.00 C ATOM 891 C GLY A 66 7.251 -2.190 -7.486 1.00 0.00 C ATOM 892 O GLY A 66 7.345 -3.415 -7.561 1.00 0.00 O ATOM 0 H GLY A 66 5.971 -0.052 -6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.127 -2.071 -7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.716 -1.496 -8.806 1.00 0.00 H new ATOM 896 N ARG A 67 8.279 -1.402 -7.189 1.00 0.00 N ATOM 897 CA ARG A 67 9.607 -1.944 -6.930 1.00 0.00 C ATOM 898 C ARG A 67 10.190 -1.363 -5.645 1.00 0.00 C ATOM 899 O ARG A 67 10.584 -0.197 -5.601 1.00 0.00 O ATOM 900 CB ARG A 67 10.540 -1.648 -8.106 1.00 0.00 C ATOM 901 CG ARG A 67 10.489 -2.698 -9.203 1.00 0.00 C ATOM 902 CD ARG A 67 11.183 -3.982 -8.777 1.00 0.00 C ATOM 903 NE ARG A 67 12.616 -3.950 -9.061 1.00 0.00 N ATOM 904 CZ ARG A 67 13.137 -4.252 -10.245 1.00 0.00 C ATOM 905 NH1 ARG A 67 12.348 -4.607 -11.250 1.00 0.00 N ATOM 906 NH2 ARG A 67 14.450 -4.200 -10.426 1.00 0.00 N ATOM 0 H ARG A 67 8.218 -0.386 -7.122 1.00 0.00 H new ATOM 0 HA ARG A 67 9.515 -3.024 -6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.279 -0.678 -8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.563 -1.570 -7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.450 -2.911 -9.456 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.963 -2.308 -10.104 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.028 -4.141 -7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.730 -4.828 -9.294 1.00 0.00 H new ATOM 0 HE ARG A 67 13.251 -3.681 -8.309 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.338 -4.649 -11.115 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.751 -4.838 -12.158 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.061 -3.928 -9.656 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.849 -4.432 -11.336 1.00 0.00 H new ATOM 920 N CYS A 68 10.243 -2.183 -4.601 1.00 0.00 N ATOM 921 CA CYS A 68 10.776 -1.752 -3.315 1.00 0.00 C ATOM 922 C CYS A 68 12.211 -2.238 -3.131 1.00 0.00 C ATOM 923 O CYS A 68 12.541 -3.374 -3.470 1.00 0.00 O ATOM 924 CB CYS A 68 9.900 -2.273 -2.175 1.00 0.00 C ATOM 925 SG CYS A 68 10.458 -1.767 -0.516 1.00 0.00 S ATOM 0 H CYS A 68 9.923 -3.151 -4.621 1.00 0.00 H new ATOM 0 HA CYS A 68 10.774 -0.662 -3.296 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.879 -1.922 -2.326 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.872 -3.362 -2.221 1.00 0.00 H new ATOM 0 HG CYS A 68 9.558 -1.004 0.031 1.00 0.00 H new ATOM 930 N SER A 69 13.060 -1.369 -2.592 1.00 0.00 N ATOM 931 CA SER A 69 14.460 -1.707 -2.366 1.00 0.00 C ATOM 932 C SER A 69 14.701 -2.074 -0.904 1.00 0.00 C ATOM 933 O SER A 69 15.467 -2.990 -0.601 1.00 0.00 O ATOM 934 CB SER A 69 15.361 -0.537 -2.764 1.00 0.00 C ATOM 935 OG SER A 69 16.679 -0.718 -2.277 1.00 0.00 O ATOM 0 H SER A 69 12.802 -0.425 -2.304 1.00 0.00 H new ATOM 0 HA SER A 69 14.703 -2.570 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.381 -0.443 -3.850 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.949 0.393 -2.371 1.00 0.00 H new ATOM 0 HG SER A 69 17.235 0.043 -2.547 1.00 0.00 H new ATOM 941 N ARG A 70 14.042 -1.353 -0.003 1.00 0.00 N ATOM 942 CA ARG A 70 14.185 -1.601 1.426 1.00 0.00 C ATOM 943 C ARG A 70 14.271 -3.098 1.713 1.00 0.00 C ATOM 944 O ARG A 70 13.337 -3.848 1.431 1.00 0.00 O ATOM 945 CB ARG A 70 13.008 -0.992 2.191 1.00 0.00 C ATOM 946 CG ARG A 70 13.250 0.440 2.640 1.00 0.00 C ATOM 947 CD ARG A 70 13.972 0.490 3.978 1.00 0.00 C ATOM 948 NE ARG A 70 15.423 0.519 3.816 1.00 0.00 N ATOM 949 CZ ARG A 70 16.092 1.579 3.375 1.00 0.00 C ATOM 950 NH1 ARG A 70 15.444 2.690 3.054 1.00 0.00 N ATOM 951 NH2 ARG A 70 17.412 1.528 3.254 1.00 0.00 N ATOM 0 H ARG A 70 13.404 -0.593 -0.237 1.00 0.00 H new ATOM 0 HA ARG A 70 15.110 -1.131 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.121 -1.021 1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.796 -1.607 3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.839 0.964 1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.297 0.963 2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.651 1.373 4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.691 -0.378 4.574 1.00 0.00 H new ATOM 0 HE ARG A 70 15.952 -0.320 4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.429 2.733 3.145 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.960 3.502 2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.914 0.675 3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.925 2.342 2.915 1.00 0.00 H new ATOM 965 N GLU A 71 15.398 -3.524 2.274 1.00 0.00 N ATOM 966 CA GLU A 71 15.606 -4.930 2.596 1.00 0.00 C ATOM 967 C GLU A 71 14.635 -5.389 3.680 1.00 0.00 C ATOM 968 O GLU A 71 13.812 -6.276 3.457 1.00 0.00 O ATOM 969 CB GLU A 71 17.047 -5.164 3.055 1.00 0.00 C ATOM 970 CG GLU A 71 18.050 -5.204 1.914 1.00 0.00 C ATOM 971 CD GLU A 71 17.989 -6.499 1.129 1.00 0.00 C ATOM 972 OE1 GLU A 71 16.912 -6.808 0.577 1.00 0.00 O ATOM 973 OE2 GLU A 71 19.018 -7.205 1.066 1.00 0.00 O ATOM 0 H GLU A 71 16.181 -2.916 2.515 1.00 0.00 H new ATOM 0 HA GLU A 71 15.420 -5.514 1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.331 -4.374 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.096 -6.104 3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.863 -4.367 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.055 -5.073 2.314 1.00 0.00 H new ATOM 980 N ASN A 72 14.739 -4.778 4.856 1.00 0.00 N ATOM 981 CA ASN A 72 13.871 -5.124 5.976 1.00 0.00 C ATOM 982 C ASN A 72 12.734 -4.116 6.115 1.00 0.00 C ATOM 983 O ASN A 72 12.370 -3.723 7.224 1.00 0.00 O ATOM 984 CB ASN A 72 14.678 -5.181 7.275 1.00 0.00 C ATOM 985 CG ASN A 72 13.864 -5.714 8.438 1.00 0.00 C ATOM 986 OD1 ASN A 72 13.454 -6.875 8.443 1.00 0.00 O ATOM 987 ND2 ASN A 72 13.628 -4.866 9.432 1.00 0.00 N ATOM 0 H ASN A 72 15.415 -4.041 5.058 1.00 0.00 H new ATOM 0 HA ASN A 72 13.441 -6.106 5.780 1.00 0.00 H new ATOM 0 HB2 ASN A 72 15.554 -5.813 7.128 1.00 0.00 H new ATOM 0 HB3 ASN A 72 15.042 -4.183 7.517 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.087 -5.168 10.242 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.988 -3.913 9.385 1.00 0.00 H new ATOM 994 N CYS A 73 12.176 -3.703 4.982 1.00 0.00 N ATOM 995 CA CYS A 73 11.080 -2.741 4.975 1.00 0.00 C ATOM 996 C CYS A 73 10.183 -2.931 6.195 1.00 0.00 C ATOM 997 O CYS A 73 9.787 -4.050 6.521 1.00 0.00 O ATOM 998 CB CYS A 73 10.256 -2.885 3.694 1.00 0.00 C ATOM 999 SG CYS A 73 9.254 -1.419 3.287 1.00 0.00 S ATOM 0 H CYS A 73 12.465 -4.020 4.056 1.00 0.00 H new ATOM 0 HA CYS A 73 11.508 -1.739 5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 73 10.930 -3.094 2.863 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.596 -3.747 3.794 1.00 0.00 H new ATOM 0 HG CYS A 73 8.005 -1.659 3.555 1.00 0.00 H new ATOM 1004 N LYS A 74 9.864 -1.829 6.865 1.00 0.00 N ATOM 1005 CA LYS A 74 9.012 -1.871 8.048 1.00 0.00 C ATOM 1006 C LYS A 74 7.564 -1.556 7.687 1.00 0.00 C ATOM 1007 O LYS A 74 6.685 -1.559 8.548 1.00 0.00 O ATOM 1008 CB LYS A 74 9.514 -0.879 9.099 1.00 0.00 C ATOM 1009 CG LYS A 74 10.255 0.309 8.510 1.00 0.00 C ATOM 1010 CD LYS A 74 9.386 1.077 7.528 1.00 0.00 C ATOM 1011 CE LYS A 74 10.207 2.061 6.709 1.00 0.00 C ATOM 1012 NZ LYS A 74 11.086 1.368 5.727 1.00 0.00 N ATOM 0 H LYS A 74 10.183 -0.895 6.609 1.00 0.00 H new ATOM 0 HA LYS A 74 9.054 -2.879 8.460 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.665 -0.516 9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.174 -1.400 9.793 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.574 0.974 9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.157 -0.037 8.005 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.883 0.377 6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.608 1.614 8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.538 2.741 6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.817 2.669 7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.432 2.054 5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.895 0.943 6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.546 0.622 5.244 1.00 0.00 H new ATOM 1026 N TYR A 75 7.323 -1.287 6.409 1.00 0.00 N ATOM 1027 CA TYR A 75 5.982 -0.969 5.934 1.00 0.00 C ATOM 1028 C TYR A 75 5.464 -2.056 4.997 1.00 0.00 C ATOM 1029 O TYR A 75 6.203 -2.574 4.159 1.00 0.00 O ATOM 1030 CB TYR A 75 5.978 0.382 5.217 1.00 0.00 C ATOM 1031 CG TYR A 75 6.386 1.538 6.102 1.00 0.00 C ATOM 1032 CD1 TYR A 75 6.114 1.526 7.465 1.00 0.00 C ATOM 1033 CD2 TYR A 75 7.045 2.642 5.576 1.00 0.00 C ATOM 1034 CE1 TYR A 75 6.485 2.580 8.276 1.00 0.00 C ATOM 1035 CE2 TYR A 75 7.421 3.701 6.380 1.00 0.00 C ATOM 1036 CZ TYR A 75 7.138 3.665 7.730 1.00 0.00 C ATOM 1037 OH TYR A 75 7.510 4.717 8.536 1.00 0.00 O ATOM 0 H TYR A 75 8.039 -1.283 5.683 1.00 0.00 H new ATOM 0 HA TYR A 75 5.322 -0.915 6.799 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.654 0.333 4.363 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.980 0.572 4.823 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.604 0.678 7.897 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.267 2.673 4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.265 2.555 9.333 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.933 4.551 5.955 1.00 0.00 H new ATOM 0 HH TYR A 75 7.961 5.399 7.996 1.00 0.00 H new ATOM 1047 N LEU A 76 4.188 -2.396 5.145 1.00 0.00 N ATOM 1048 CA LEU A 76 3.568 -3.421 4.312 1.00 0.00 C ATOM 1049 C LEU A 76 3.325 -2.901 2.899 1.00 0.00 C ATOM 1050 O LEU A 76 3.173 -1.698 2.687 1.00 0.00 O ATOM 1051 CB LEU A 76 2.248 -3.881 4.933 1.00 0.00 C ATOM 1052 CG LEU A 76 1.266 -4.573 3.986 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.702 -6.004 3.718 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.142 -4.541 4.562 1.00 0.00 C ATOM 0 H LEU A 76 3.563 -1.977 5.834 1.00 0.00 H new ATOM 0 HA LEU A 76 4.250 -4.269 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.473 -4.563 5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.752 -3.013 5.368 1.00 0.00 H new ATOM 0 HG LEU A 76 1.262 -4.033 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.991 -6.480 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.692 -6.003 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.736 -6.556 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.827 -5.038 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.154 -5.056 5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.455 -3.506 4.701 1.00 0.00 H new ATOM 1066 N HIS A 77 3.288 -3.816 1.935 1.00 0.00 N ATOM 1067 CA HIS A 77 3.061 -3.450 0.542 1.00 0.00 C ATOM 1068 C HIS A 77 1.644 -3.815 0.109 1.00 0.00 C ATOM 1069 O HIS A 77 1.361 -4.947 -0.285 1.00 0.00 O ATOM 1070 CB HIS A 77 4.078 -4.145 -0.363 1.00 0.00 C ATOM 1071 CG HIS A 77 5.501 -3.879 0.021 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.040 -3.467 1.192 1.00 0.00 N flip ATOM 1073 CD2 HIS A 77 6.557 -4.030 -0.853 1.00 0.00 C flip ATOM 1074 CE1 HIS A 77 7.398 -3.379 1.007 1.00 0.00 C flip ATOM 1075 NE2 HIS A 77 7.684 -3.724 -0.235 1.00 0.00 N flip ATOM 0 H HIS A 77 3.412 -4.816 2.093 1.00 0.00 H new ATOM 0 HA HIS A 77 3.184 -2.371 0.451 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.899 -5.220 -0.339 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.920 -3.818 -1.391 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.476 -4.349 -1.882 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.115 -3.077 1.756 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.617 -3.750 -0.647 1.00 0.00 H new ATOM 1083 N PRO A 78 0.731 -2.835 0.183 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.672 -3.030 -0.197 1.00 0.00 C ATOM 1085 C PRO A 78 -0.845 -3.211 -1.701 1.00 0.00 C ATOM 1086 O PRO A 78 -0.073 -2.690 -2.506 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.348 -1.737 0.268 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.258 -0.721 0.274 1.00 0.00 C ATOM 1089 CD PRO A 78 0.997 -1.462 0.644 1.00 0.00 C ATOM 0 HA PRO A 78 -1.094 -3.931 0.248 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.155 -1.448 -0.405 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.786 -1.854 1.259 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.159 -0.249 -0.704 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.468 0.073 0.991 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.874 -1.037 0.155 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.182 -1.427 1.718 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.882 -3.966 -2.091 1.00 0.00 N ATOM 1098 CA PRO A 79 -2.182 -4.233 -3.501 1.00 0.00 C ATOM 1099 C PRO A 79 -2.685 -2.992 -4.231 1.00 0.00 C ATOM 1100 O PRO A 79 -2.924 -1.951 -3.617 1.00 0.00 O ATOM 1101 CB PRO A 79 -3.280 -5.297 -3.436 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.930 -5.089 -2.112 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.843 -4.619 -1.186 1.00 0.00 C ATOM 0 HA PRO A 79 -1.297 -4.549 -4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.994 -5.179 -4.251 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.864 -6.301 -3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.729 -4.351 -2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.380 -6.013 -1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.225 -3.925 -0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.387 -5.450 -0.647 1.00 0.00 H new ATOM 1111 N THR A 80 -2.844 -3.108 -5.546 1.00 0.00 N ATOM 1112 CA THR A 80 -3.318 -1.996 -6.359 1.00 0.00 C ATOM 1113 C THR A 80 -4.752 -1.624 -6.001 1.00 0.00 C ATOM 1114 O THR A 80 -5.053 -0.463 -5.723 1.00 0.00 O ATOM 1115 CB THR A 80 -3.246 -2.328 -7.862 1.00 0.00 C ATOM 1116 OG1 THR A 80 -1.959 -2.867 -8.183 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.506 -1.088 -8.703 1.00 0.00 C ATOM 0 H THR A 80 -2.651 -3.961 -6.070 1.00 0.00 H new ATOM 0 HA THR A 80 -2.663 -1.150 -6.149 1.00 0.00 H new ATOM 0 HB THR A 80 -4.015 -3.067 -8.086 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.922 -3.077 -9.139 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.450 -1.347 -9.760 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.498 -0.697 -8.477 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.757 -0.330 -8.475 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.635 -2.618 -6.008 1.00 0.00 N ATOM 1126 CA HIS A 81 -7.039 -2.395 -5.681 1.00 0.00 C ATOM 1127 C HIS A 81 -7.177 -1.618 -4.375 1.00 0.00 C ATOM 1128 O HIS A 81 -8.164 -0.914 -4.160 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.778 -3.729 -5.575 1.00 0.00 C ATOM 1130 CG HIS A 81 -7.242 -4.627 -4.503 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -7.596 -4.762 -3.203 1.00 0.00 N flip ATOM 1132 CD2 HIS A 81 -6.216 -5.523 -4.715 1.00 0.00 C flip ATOM 1133 CE1 HIS A 81 -6.785 -5.728 -2.659 1.00 0.00 C flip ATOM 1134 NE2 HIS A 81 -5.962 -6.172 -3.592 1.00 0.00 N flip ATOM 0 H HIS A 81 -5.403 -3.585 -6.236 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.483 -1.805 -6.482 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.833 -3.536 -5.382 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.719 -4.245 -6.533 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -8.328 -4.243 -2.718 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -5.700 -5.671 -5.652 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.815 -6.069 -1.635 1.00 0.00 H new ATOM 1142 N LEU A 82 -6.181 -1.752 -3.505 1.00 0.00 N ATOM 1143 CA LEU A 82 -6.192 -1.064 -2.219 1.00 0.00 C ATOM 1144 C LEU A 82 -5.447 0.264 -2.307 1.00 0.00 C ATOM 1145 O LEU A 82 -5.868 1.265 -1.726 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.559 -1.946 -1.141 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.467 -3.014 -0.530 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.663 -3.959 0.349 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.591 -2.366 0.267 1.00 0.00 C ATOM 0 H LEU A 82 -5.357 -2.330 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.229 -0.862 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.687 -2.441 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.198 -1.302 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.910 -3.594 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.326 -4.712 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.895 -4.449 -0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.191 -3.395 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.227 -3.141 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.167 -1.761 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.185 -1.731 -0.391 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.337 0.267 -3.038 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.534 1.473 -3.206 1.00 0.00 C ATOM 1163 C LYS A 83 -4.422 2.689 -3.448 1.00 0.00 C ATOM 1164 O LYS A 83 -4.211 3.752 -2.863 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.557 1.301 -4.371 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.264 2.081 -4.201 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.469 2.131 -5.494 1.00 0.00 C ATOM 1168 CE LYS A 83 -1.092 3.092 -6.495 1.00 0.00 C ATOM 1169 NZ LYS A 83 -0.857 4.514 -6.119 1.00 0.00 N ATOM 0 H LYS A 83 -3.973 -0.553 -3.524 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.970 1.635 -2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.321 0.243 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.044 1.618 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.490 3.095 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.660 1.620 -3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.555 2.439 -5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.418 1.133 -5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.677 2.905 -7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.164 2.906 -6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.145 5.133 -6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.415 4.746 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.153 4.657 -5.918 1.00 0.00 H new ATOM 1183 N THR A 84 -5.418 2.526 -4.314 1.00 0.00 N ATOM 1184 CA THR A 84 -6.339 3.610 -4.633 1.00 0.00 C ATOM 1185 C THR A 84 -6.957 4.196 -3.369 1.00 0.00 C ATOM 1186 O THR A 84 -7.044 5.415 -3.218 1.00 0.00 O ATOM 1187 CB THR A 84 -7.466 3.133 -5.568 1.00 0.00 C ATOM 1188 OG1 THR A 84 -6.907 2.570 -6.761 1.00 0.00 O ATOM 1189 CG2 THR A 84 -8.392 4.284 -5.930 1.00 0.00 C ATOM 0 H THR A 84 -5.607 1.653 -4.807 1.00 0.00 H new ATOM 0 HA THR A 84 -5.757 4.380 -5.140 1.00 0.00 H new ATOM 0 HB THR A 84 -8.045 2.372 -5.045 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.630 2.267 -7.350 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.180 3.923 -6.591 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.838 4.691 -5.023 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.823 5.064 -6.436 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.384 3.322 -2.464 1.00 0.00 N ATOM 1198 CA GLN A 85 -7.994 3.755 -1.212 1.00 0.00 C ATOM 1199 C GLN A 85 -7.142 4.820 -0.531 1.00 0.00 C ATOM 1200 O GLN A 85 -7.647 5.629 0.249 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.186 2.561 -0.274 1.00 0.00 C ATOM 1202 CG GLN A 85 -9.147 1.514 -0.812 1.00 0.00 C ATOM 1203 CD GLN A 85 -10.593 1.821 -0.476 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -10.945 2.964 -0.183 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -11.441 0.799 -0.517 1.00 0.00 N ATOM 0 H GLN A 85 -7.319 2.310 -2.574 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.968 4.188 -1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.218 2.094 -0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.554 2.920 0.687 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.036 1.447 -1.894 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.882 0.539 -0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.106 -0.132 -0.765 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.427 0.945 -0.301 1.00 0.00 H new ATOM 1214 N LEU A 86 -5.847 4.815 -0.829 1.00 0.00 N ATOM 1215 CA LEU A 86 -4.924 5.781 -0.245 1.00 0.00 C ATOM 1216 C LEU A 86 -5.087 7.152 -0.894 1.00 0.00 C ATOM 1217 O LEU A 86 -5.335 8.146 -0.213 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.481 5.298 -0.403 1.00 0.00 C ATOM 1219 CG LEU A 86 -3.130 3.989 0.306 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -1.785 3.466 -0.174 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -3.120 4.186 1.815 1.00 0.00 C ATOM 0 H LEU A 86 -5.413 4.152 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.156 5.872 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.273 5.179 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.815 6.078 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.893 3.250 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.552 2.534 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.827 3.286 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.011 4.203 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.868 3.244 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.379 4.941 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.105 4.514 2.146 1.00 0.00 H new