USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=18 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 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 83 LYS NZ :NH3+ -118:sc= -0.209 (180deg=-0.541) USER MOD Set 2.1: A 60 CYS SG : rot 119:sc= 1.25 USER MOD Set 2.2: A 68 CYS SG : rot 116:sc= -0.153 USER MOD Set 2.3: A 73 CYS SG : rot -93:sc= 1.31 USER MOD Set 2.4: A 77 HIS : no HD1:sc= -3.15 X(o=-0.74,f=-1.2) USER MOD Set 3.1: A 26 CYS SG : rot 130:sc= 0.581 USER MOD Set 3.2: A 34 CYS SG : rot 117:sc= -0.527 USER MOD Set 3.3: A 41 CYS SG : rot -70:sc= 0.159 USER MOD Set 3.4: A 45 HIS : no HD1:sc= -2.68 K(o=-2.5,f=1) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.117 K(o=-0.12,f=-2.9!) USER MOD Single : A 30 GLN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 33 THR OG1 : rot -66:sc= 1.14 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc=-0.00773 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= 0.00153 USER MOD Single : A 50 CYS SG : rot -8:sc= -3.56! USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 63 SER OG : rot -70:sc= 0.063 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= -1.42 K(o=-1.4,f=-7.6!) 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 81 HIS : no HD1:sc= -11.3! C(o=-11!,f=-9.9!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -1.270 7.208 4.184 1.00 0.00 N ATOM 193 CA LEU A 21 -0.452 6.008 4.041 1.00 0.00 C ATOM 194 C LEU A 21 -0.821 4.969 5.095 1.00 0.00 C ATOM 195 O LEU A 21 0.042 4.257 5.610 1.00 0.00 O ATOM 196 CB LEU A 21 1.032 6.362 4.156 1.00 0.00 C ATOM 197 CG LEU A 21 1.618 7.180 3.004 1.00 0.00 C ATOM 198 CD1 LEU A 21 2.899 7.874 3.440 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.875 6.292 1.796 1.00 0.00 C ATOM 0 HA LEU A 21 -0.643 5.583 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.182 6.917 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.600 5.436 4.244 1.00 0.00 H new ATOM 0 HG LEU A 21 0.894 7.944 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.302 8.451 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.685 8.542 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.630 7.127 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.292 6.891 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.580 5.506 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.938 5.842 1.469 1.00 0.00 H new ATOM 211 N THR A 22 -2.110 4.884 5.409 1.00 0.00 N ATOM 212 CA THR A 22 -2.594 3.931 6.400 1.00 0.00 C ATOM 213 C THR A 22 -3.642 3.000 5.801 1.00 0.00 C ATOM 214 O THR A 22 -4.283 3.331 4.802 1.00 0.00 O ATOM 215 CB THR A 22 -3.199 4.649 7.621 1.00 0.00 C ATOM 216 OG1 THR A 22 -3.897 5.827 7.201 1.00 0.00 O ATOM 217 CG2 THR A 22 -2.115 5.024 8.620 1.00 0.00 C ATOM 0 H THR A 22 -2.838 5.464 4.991 1.00 0.00 H new ATOM 0 HA THR A 22 -1.733 3.345 6.722 1.00 0.00 H new ATOM 0 HB THR A 22 -3.898 3.967 8.106 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.280 6.277 7.983 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.566 5.530 9.474 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.606 4.122 8.960 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.395 5.689 8.143 1.00 0.00 H new ATOM 225 N LEU A 23 -3.813 1.835 6.416 1.00 0.00 N ATOM 226 CA LEU A 23 -4.785 0.856 5.944 1.00 0.00 C ATOM 227 C LEU A 23 -5.260 -0.035 7.087 1.00 0.00 C ATOM 228 O LEU A 23 -4.459 -0.498 7.899 1.00 0.00 O ATOM 229 CB LEU A 23 -4.176 -0.001 4.833 1.00 0.00 C ATOM 230 CG LEU A 23 -3.959 0.696 3.489 1.00 0.00 C ATOM 231 CD1 LEU A 23 -3.080 -0.152 2.583 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.294 0.988 2.819 1.00 0.00 C ATOM 0 H LEU A 23 -3.291 1.545 7.243 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.645 1.396 5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.216 -0.382 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.822 -0.864 4.672 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.451 1.643 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.937 0.360 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.112 -0.310 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.560 -1.115 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.121 1.484 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.829 0.053 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.890 1.636 3.462 1.00 0.00 H new ATOM 244 N GLU A 24 -6.567 -0.273 7.142 1.00 0.00 N ATOM 245 CA GLU A 24 -7.147 -1.111 8.185 1.00 0.00 C ATOM 246 C GLU A 24 -6.676 -2.556 8.048 1.00 0.00 C ATOM 247 O GLU A 24 -6.925 -3.208 7.034 1.00 0.00 O ATOM 248 CB GLU A 24 -8.675 -1.053 8.126 1.00 0.00 C ATOM 249 CG GLU A 24 -9.246 -1.434 6.770 1.00 0.00 C ATOM 250 CD GLU A 24 -10.572 -0.756 6.484 1.00 0.00 C ATOM 251 OE1 GLU A 24 -11.615 -1.283 6.924 1.00 0.00 O ATOM 252 OE2 GLU A 24 -10.565 0.302 5.821 1.00 0.00 O ATOM 0 H GLU A 24 -7.243 0.102 6.477 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.813 -0.729 9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.085 -1.720 8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.002 -0.044 8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.531 -1.168 5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.378 -2.515 6.726 1.00 0.00 H new ATOM 259 N VAL A 25 -5.992 -3.049 9.075 1.00 0.00 N ATOM 260 CA VAL A 25 -5.486 -4.417 9.071 1.00 0.00 C ATOM 261 C VAL A 25 -6.629 -5.426 9.077 1.00 0.00 C ATOM 262 O VAL A 25 -7.633 -5.239 9.766 1.00 0.00 O ATOM 263 CB VAL A 25 -4.575 -4.682 10.284 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.039 -6.105 10.249 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.435 -3.675 10.324 1.00 0.00 C ATOM 0 H VAL A 25 -5.775 -2.522 9.921 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.905 -4.537 8.157 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.166 -4.564 11.192 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.397 -6.274 11.114 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.872 -6.808 10.272 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.463 -6.255 9.336 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.801 -3.877 11.187 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.844 -3.759 9.412 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.842 -2.667 10.401 1.00 0.00 H new ATOM 275 N CYS A 26 -6.470 -6.496 8.306 1.00 0.00 N ATOM 276 CA CYS A 26 -7.488 -7.536 8.221 1.00 0.00 C ATOM 277 C CYS A 26 -7.714 -8.188 9.583 1.00 0.00 C ATOM 278 O CYS A 26 -6.816 -8.826 10.133 1.00 0.00 O ATOM 279 CB CYS A 26 -7.079 -8.597 7.197 1.00 0.00 C ATOM 280 SG CYS A 26 -8.209 -10.023 7.113 1.00 0.00 S ATOM 0 H CYS A 26 -5.645 -6.666 7.731 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.421 -7.072 7.900 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.022 -8.133 6.212 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.078 -8.954 7.439 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.542 -10.240 5.875 1.00 0.00 H new ATOM 285 N ARG A 27 -8.918 -8.024 10.119 1.00 0.00 N ATOM 286 CA ARG A 27 -9.262 -8.595 11.415 1.00 0.00 C ATOM 287 C ARG A 27 -8.843 -10.060 11.492 1.00 0.00 C ATOM 288 O ARG A 27 -7.957 -10.422 12.266 1.00 0.00 O ATOM 289 CB ARG A 27 -10.765 -8.470 11.669 1.00 0.00 C ATOM 290 CG ARG A 27 -11.154 -7.203 12.413 1.00 0.00 C ATOM 291 CD ARG A 27 -10.977 -5.969 11.543 1.00 0.00 C ATOM 292 NE ARG A 27 -9.649 -5.381 11.690 1.00 0.00 N ATOM 293 CZ ARG A 27 -9.328 -4.521 12.651 1.00 0.00 C ATOM 294 NH1 ARG A 27 -10.235 -4.152 13.545 1.00 0.00 N ATOM 295 NH2 ARG A 27 -8.097 -4.029 12.719 1.00 0.00 N ATOM 0 H ARG A 27 -9.672 -7.500 9.676 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.723 -8.040 12.183 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.290 -8.496 10.714 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.101 -9.335 12.241 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.192 -7.275 12.738 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.545 -7.106 13.312 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.142 -6.235 10.499 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.732 -5.229 11.806 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.928 -5.645 11.018 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.182 -4.528 13.496 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.986 -3.492 14.282 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.396 -4.311 12.033 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.852 -3.369 13.457 1.00 0.00 H new ATOM 309 N GLN A 28 -9.486 -10.898 10.685 1.00 0.00 N ATOM 310 CA GLN A 28 -9.180 -12.323 10.663 1.00 0.00 C ATOM 311 C GLN A 28 -7.673 -12.557 10.670 1.00 0.00 C ATOM 312 O GLN A 28 -7.139 -13.202 11.573 1.00 0.00 O ATOM 313 CB GLN A 28 -9.805 -12.981 9.431 1.00 0.00 C ATOM 314 CG GLN A 28 -11.282 -13.300 9.595 1.00 0.00 C ATOM 315 CD GLN A 28 -12.133 -12.055 9.755 1.00 0.00 C ATOM 316 OE1 GLN A 28 -11.911 -11.047 9.084 1.00 0.00 O ATOM 317 NE2 GLN A 28 -13.114 -12.120 10.647 1.00 0.00 N ATOM 0 H GLN A 28 -10.222 -10.614 10.038 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.603 -12.774 11.561 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.677 -12.321 8.573 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.266 -13.902 9.208 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.627 -13.862 8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.417 -13.942 10.465 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.262 -12.976 11.181 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.720 -11.314 10.798 1.00 0.00 H new ATOM 326 N PHE A 29 -6.993 -12.029 9.658 1.00 0.00 N ATOM 327 CA PHE A 29 -5.547 -12.181 9.548 1.00 0.00 C ATOM 328 C PHE A 29 -4.889 -12.143 10.924 1.00 0.00 C ATOM 329 O PHE A 29 -4.122 -13.038 11.281 1.00 0.00 O ATOM 330 CB PHE A 29 -4.963 -11.079 8.660 1.00 0.00 C ATOM 331 CG PHE A 29 -3.476 -10.924 8.798 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.626 -11.977 8.499 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.927 -9.725 9.225 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.256 -11.837 8.626 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.559 -9.579 9.353 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.722 -10.636 9.052 1.00 0.00 C ATOM 0 H PHE A 29 -7.420 -11.492 8.903 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.343 -13.151 9.094 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.203 -11.297 7.619 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.443 -10.132 8.906 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.038 -12.917 8.163 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.576 -8.895 9.461 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.604 -12.666 8.392 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.145 -8.640 9.688 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.348 -10.524 9.149 1.00 0.00 H new ATOM 346 N GLN A 30 -5.194 -11.102 11.691 1.00 0.00 N ATOM 347 CA GLN A 30 -4.631 -10.947 13.027 1.00 0.00 C ATOM 348 C GLN A 30 -4.918 -12.175 13.884 1.00 0.00 C ATOM 349 O GLN A 30 -4.005 -12.775 14.451 1.00 0.00 O ATOM 350 CB GLN A 30 -5.199 -9.696 13.700 1.00 0.00 C ATOM 351 CG GLN A 30 -4.566 -8.403 13.215 1.00 0.00 C ATOM 352 CD GLN A 30 -3.224 -8.130 13.866 1.00 0.00 C ATOM 353 OE1 GLN A 30 -3.142 -7.430 14.876 1.00 0.00 O ATOM 354 NE2 GLN A 30 -2.163 -8.682 13.289 1.00 0.00 N ATOM 0 H GLN A 30 -5.828 -10.353 11.411 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.551 -10.840 12.929 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.273 -9.654 13.521 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.058 -9.778 14.778 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.438 -8.449 12.133 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.241 -7.573 13.421 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.277 -9.255 12.453 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.234 -8.533 13.682 1.00 0.00 H new ATOM 363 N ARG A 31 -6.191 -12.544 13.974 1.00 0.00 N ATOM 364 CA ARG A 31 -6.598 -13.700 14.764 1.00 0.00 C ATOM 365 C ARG A 31 -6.006 -14.984 14.191 1.00 0.00 C ATOM 366 O ARG A 31 -5.857 -15.980 14.898 1.00 0.00 O ATOM 367 CB ARG A 31 -8.124 -13.803 14.806 1.00 0.00 C ATOM 368 CG ARG A 31 -8.808 -12.531 15.280 1.00 0.00 C ATOM 369 CD ARG A 31 -10.318 -12.701 15.343 1.00 0.00 C ATOM 370 NE ARG A 31 -10.709 -13.788 16.236 1.00 0.00 N ATOM 371 CZ ARG A 31 -11.909 -13.880 16.800 1.00 0.00 C ATOM 372 NH1 ARG A 31 -12.828 -12.955 16.564 1.00 0.00 N ATOM 373 NH2 ARG A 31 -12.190 -14.900 17.601 1.00 0.00 N ATOM 0 H ARG A 31 -6.959 -12.059 13.510 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.222 -13.568 15.778 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.490 -14.053 13.810 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.406 -14.624 15.465 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.430 -12.259 16.265 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.561 -11.711 14.606 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.774 -11.771 15.683 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.703 -12.898 14.342 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.024 -14.516 16.438 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.615 -12.170 15.948 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.748 -13.028 16.998 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.485 -15.614 17.784 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.111 -14.970 18.034 1.00 0.00 H new ATOM 387 N GLY A 32 -5.671 -14.954 12.905 1.00 0.00 N ATOM 388 CA GLY A 32 -5.100 -16.122 12.259 1.00 0.00 C ATOM 389 C GLY A 32 -6.155 -17.013 11.635 1.00 0.00 C ATOM 390 O GLY A 32 -6.035 -18.238 11.655 1.00 0.00 O ATOM 0 H GLY A 32 -5.785 -14.142 12.299 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.398 -15.801 11.489 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.530 -16.696 12.990 1.00 0.00 H new ATOM 394 N THR A 33 -7.194 -16.397 11.079 1.00 0.00 N ATOM 395 CA THR A 33 -8.276 -17.143 10.449 1.00 0.00 C ATOM 396 C THR A 33 -8.590 -16.590 9.063 1.00 0.00 C ATOM 397 O THR A 33 -9.751 -16.526 8.657 1.00 0.00 O ATOM 398 CB THR A 33 -9.556 -17.107 11.305 1.00 0.00 C ATOM 399 OG1 THR A 33 -10.616 -17.795 10.631 1.00 0.00 O ATOM 400 CG2 THR A 33 -9.977 -15.674 11.591 1.00 0.00 C ATOM 0 H THR A 33 -7.309 -15.384 11.052 1.00 0.00 H new ATOM 0 HA THR A 33 -7.937 -18.175 10.358 1.00 0.00 H new ATOM 0 HB THR A 33 -9.346 -17.603 12.253 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.858 -17.306 9.817 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.883 -15.675 12.197 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.180 -15.162 12.130 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.170 -15.157 10.651 1.00 0.00 H new ATOM 408 N CYS A 34 -7.549 -16.191 8.340 1.00 0.00 N ATOM 409 CA CYS A 34 -7.713 -15.644 6.999 1.00 0.00 C ATOM 410 C CYS A 34 -6.884 -16.428 5.986 1.00 0.00 C ATOM 411 O CYS A 34 -5.684 -16.196 5.837 1.00 0.00 O ATOM 412 CB CYS A 34 -7.307 -14.169 6.974 1.00 0.00 C ATOM 413 SG CYS A 34 -7.210 -13.452 5.302 1.00 0.00 S ATOM 0 H CYS A 34 -6.582 -16.236 8.661 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.765 -15.729 6.725 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.024 -13.596 7.562 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.337 -14.062 7.460 1.00 0.00 H new ATOM 0 HG CYS A 34 -8.085 -12.497 5.188 1.00 0.00 H new ATOM 418 N SER A 35 -7.533 -17.358 5.292 1.00 0.00 N ATOM 419 CA SER A 35 -6.855 -18.180 4.296 1.00 0.00 C ATOM 420 C SER A 35 -7.063 -17.615 2.894 1.00 0.00 C ATOM 421 O SER A 35 -7.244 -18.362 1.933 1.00 0.00 O ATOM 422 CB SER A 35 -7.367 -19.620 4.359 1.00 0.00 C ATOM 423 OG SER A 35 -8.771 -19.671 4.172 1.00 0.00 O ATOM 0 H SER A 35 -8.527 -17.561 5.401 1.00 0.00 H new ATOM 0 HA SER A 35 -5.788 -18.171 4.518 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.873 -20.219 3.594 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.109 -20.059 5.323 1.00 0.00 H new ATOM 0 HG SER A 35 -9.073 -20.602 4.215 1.00 0.00 H new ATOM 429 N ARG A 36 -7.034 -16.290 2.787 1.00 0.00 N ATOM 430 CA ARG A 36 -7.220 -15.624 1.503 1.00 0.00 C ATOM 431 C ARG A 36 -5.915 -14.996 1.023 1.00 0.00 C ATOM 432 O ARG A 36 -5.017 -14.720 1.818 1.00 0.00 O ATOM 433 CB ARG A 36 -8.305 -14.551 1.615 1.00 0.00 C ATOM 434 CG ARG A 36 -9.678 -15.105 1.958 1.00 0.00 C ATOM 435 CD ARG A 36 -10.757 -14.043 1.822 1.00 0.00 C ATOM 436 NE ARG A 36 -10.971 -13.317 3.071 1.00 0.00 N ATOM 437 CZ ARG A 36 -12.097 -12.677 3.366 1.00 0.00 C ATOM 438 NH1 ARG A 36 -13.106 -12.672 2.505 1.00 0.00 N ATOM 439 NH2 ARG A 36 -12.216 -12.039 4.523 1.00 0.00 N ATOM 0 H ARG A 36 -6.884 -15.657 3.573 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.532 -16.372 0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.013 -13.830 2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.367 -14.009 0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.907 -15.944 1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.672 -15.490 2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.477 -13.340 1.038 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.690 -14.512 1.511 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.214 -13.300 3.755 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.018 -13.160 1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.969 -12.180 2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.442 -12.039 5.188 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.081 -11.548 4.748 1.00 0.00 H new ATOM 453 N SER A 37 -5.818 -14.772 -0.284 1.00 0.00 N ATOM 454 CA SER A 37 -4.622 -14.181 -0.871 1.00 0.00 C ATOM 455 C SER A 37 -4.650 -12.661 -0.746 1.00 0.00 C ATOM 456 O SER A 37 -5.616 -12.086 -0.246 1.00 0.00 O ATOM 457 CB SER A 37 -4.500 -14.581 -2.343 1.00 0.00 C ATOM 458 OG SER A 37 -3.195 -14.325 -2.834 1.00 0.00 O ATOM 0 H SER A 37 -6.554 -14.991 -0.956 1.00 0.00 H new ATOM 0 HA SER A 37 -3.756 -14.557 -0.327 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.733 -15.640 -2.456 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.230 -14.029 -2.935 1.00 0.00 H new ATOM 0 HG SER A 37 -3.142 -14.591 -3.776 1.00 0.00 H new ATOM 464 N ASP A 38 -3.582 -12.016 -1.204 1.00 0.00 N ATOM 465 CA ASP A 38 -3.483 -10.562 -1.145 1.00 0.00 C ATOM 466 C ASP A 38 -4.436 -9.912 -2.143 1.00 0.00 C ATOM 467 O ASP A 38 -4.947 -8.818 -1.905 1.00 0.00 O ATOM 468 CB ASP A 38 -2.048 -10.116 -1.426 1.00 0.00 C ATOM 469 CG ASP A 38 -1.724 -8.776 -0.795 1.00 0.00 C ATOM 470 OD1 ASP A 38 -2.467 -7.805 -1.051 1.00 0.00 O ATOM 471 OD2 ASP A 38 -0.727 -8.698 -0.046 1.00 0.00 O ATOM 0 H ASP A 38 -2.773 -12.477 -1.620 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.764 -10.243 -0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.356 -10.869 -1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.894 -10.054 -2.503 1.00 0.00 H new ATOM 476 N GLU A 39 -4.669 -10.592 -3.262 1.00 0.00 N ATOM 477 CA GLU A 39 -5.559 -10.078 -4.296 1.00 0.00 C ATOM 478 C GLU A 39 -6.969 -10.636 -4.126 1.00 0.00 C ATOM 479 O GLU A 39 -7.867 -10.329 -4.910 1.00 0.00 O ATOM 480 CB GLU A 39 -5.022 -10.434 -5.684 1.00 0.00 C ATOM 481 CG GLU A 39 -3.971 -9.463 -6.197 1.00 0.00 C ATOM 482 CD GLU A 39 -3.692 -9.634 -7.678 1.00 0.00 C ATOM 483 OE1 GLU A 39 -3.112 -10.673 -8.056 1.00 0.00 O ATOM 484 OE2 GLU A 39 -4.055 -8.729 -8.458 1.00 0.00 O ATOM 0 H GLU A 39 -4.254 -11.499 -3.475 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.602 -8.993 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.594 -11.436 -5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.853 -10.463 -6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.303 -8.442 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.046 -9.606 -5.638 1.00 0.00 H new ATOM 491 N GLU A 40 -7.155 -11.457 -3.097 1.00 0.00 N ATOM 492 CA GLU A 40 -8.455 -12.058 -2.826 1.00 0.00 C ATOM 493 C GLU A 40 -9.167 -11.326 -1.691 1.00 0.00 C ATOM 494 O GLU A 40 -10.346 -10.990 -1.797 1.00 0.00 O ATOM 495 CB GLU A 40 -8.294 -13.538 -2.471 1.00 0.00 C ATOM 496 CG GLU A 40 -9.480 -14.395 -2.880 1.00 0.00 C ATOM 497 CD GLU A 40 -9.208 -15.878 -2.728 1.00 0.00 C ATOM 498 OE1 GLU A 40 -8.389 -16.245 -1.859 1.00 0.00 O ATOM 499 OE2 GLU A 40 -9.813 -16.673 -3.477 1.00 0.00 O ATOM 0 H GLU A 40 -6.422 -11.721 -2.438 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.061 -11.972 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.395 -13.923 -2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.143 -13.631 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.345 -14.124 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.737 -14.181 -3.917 1.00 0.00 H new ATOM 506 N CYS A 41 -8.441 -11.084 -0.605 1.00 0.00 N ATOM 507 CA CYS A 41 -9.001 -10.393 0.551 1.00 0.00 C ATOM 508 C CYS A 41 -9.046 -8.886 0.315 1.00 0.00 C ATOM 509 O CYS A 41 -8.125 -8.309 -0.264 1.00 0.00 O ATOM 510 CB CYS A 41 -8.176 -10.700 1.803 1.00 0.00 C ATOM 511 SG CYS A 41 -9.108 -10.550 3.361 1.00 0.00 S ATOM 0 H CYS A 41 -7.463 -11.356 -0.501 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.020 -10.750 0.698 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.780 -11.712 1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.321 -10.025 1.837 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.370 -9.298 3.591 1.00 0.00 H new ATOM 516 N LYS A 42 -10.123 -8.254 0.768 1.00 0.00 N ATOM 517 CA LYS A 42 -10.290 -6.815 0.609 1.00 0.00 C ATOM 518 C LYS A 42 -9.580 -6.058 1.727 1.00 0.00 C ATOM 519 O LYS A 42 -9.976 -4.950 2.089 1.00 0.00 O ATOM 520 CB LYS A 42 -11.776 -6.451 0.596 1.00 0.00 C ATOM 521 CG LYS A 42 -12.522 -6.983 -0.616 1.00 0.00 C ATOM 522 CD LYS A 42 -13.077 -8.375 -0.361 1.00 0.00 C ATOM 523 CE LYS A 42 -14.262 -8.336 0.592 1.00 0.00 C ATOM 524 NZ LYS A 42 -15.545 -8.103 -0.126 1.00 0.00 N ATOM 0 H LYS A 42 -10.894 -8.717 1.249 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.843 -6.526 -0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.245 -6.840 1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.876 -5.366 0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.338 -6.306 -0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.851 -7.009 -1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.383 -8.825 -1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.294 -9.009 0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.318 -9.277 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.110 -7.547 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.327 -8.083 0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.502 -7.193 -0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.704 -8.869 -0.811 1.00 0.00 H new ATOM 538 N PHE A 43 -8.529 -6.663 2.270 1.00 0.00 N ATOM 539 CA PHE A 43 -7.763 -6.046 3.347 1.00 0.00 C ATOM 540 C PHE A 43 -6.267 -6.277 3.153 1.00 0.00 C ATOM 541 O PHE A 43 -5.856 -7.075 2.311 1.00 0.00 O ATOM 542 CB PHE A 43 -8.206 -6.604 4.701 1.00 0.00 C ATOM 543 CG PHE A 43 -9.563 -6.126 5.131 1.00 0.00 C ATOM 544 CD1 PHE A 43 -10.708 -6.598 4.509 1.00 0.00 C ATOM 545 CD2 PHE A 43 -9.694 -5.205 6.158 1.00 0.00 C ATOM 546 CE1 PHE A 43 -11.958 -6.160 4.903 1.00 0.00 C ATOM 547 CE2 PHE A 43 -10.942 -4.764 6.557 1.00 0.00 C ATOM 548 CZ PHE A 43 -12.076 -5.242 5.928 1.00 0.00 C ATOM 0 H PHE A 43 -8.188 -7.580 1.982 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.952 -4.973 3.325 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.212 -7.693 4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.474 -6.323 5.458 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.622 -7.316 3.707 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.811 -4.827 6.652 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.842 -6.535 4.410 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -11.031 -4.047 7.359 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.052 -4.898 6.237 1.00 0.00 H new ATOM 558 N ALA A 44 -5.459 -5.573 3.938 1.00 0.00 N ATOM 559 CA ALA A 44 -4.010 -5.702 3.855 1.00 0.00 C ATOM 560 C ALA A 44 -3.475 -6.606 4.960 1.00 0.00 C ATOM 561 O ALA A 44 -3.925 -6.538 6.104 1.00 0.00 O ATOM 562 CB ALA A 44 -3.353 -4.331 3.927 1.00 0.00 C ATOM 0 H ALA A 44 -5.784 -4.907 4.639 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.765 -6.160 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.271 -4.442 3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.703 -3.716 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.614 -3.852 4.871 1.00 0.00 H new ATOM 568 N HIS A 45 -2.511 -7.453 4.611 1.00 0.00 N ATOM 569 CA HIS A 45 -1.914 -8.371 5.575 1.00 0.00 C ATOM 570 C HIS A 45 -0.416 -8.118 5.710 1.00 0.00 C ATOM 571 O HIS A 45 0.400 -8.661 4.964 1.00 0.00 O ATOM 572 CB HIS A 45 -2.163 -9.819 5.153 1.00 0.00 C ATOM 573 CG HIS A 45 -3.589 -10.101 4.791 1.00 0.00 C ATOM 574 ND1 HIS A 45 -3.975 -11.197 4.049 1.00 0.00 N ATOM 575 CD2 HIS A 45 -4.725 -9.422 5.075 1.00 0.00 C ATOM 576 CE1 HIS A 45 -5.286 -11.180 3.890 1.00 0.00 C ATOM 577 NE2 HIS A 45 -5.766 -10.113 4.504 1.00 0.00 N ATOM 0 H HIS A 45 -2.127 -7.523 3.669 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.382 -8.197 6.544 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.527 -10.055 4.300 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.865 -10.482 5.965 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.799 -8.507 5.644 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.867 -11.913 3.350 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.749 -9.846 4.547 1.00 0.00 H new ATOM 585 N PRO A 46 -0.043 -7.275 6.684 1.00 0.00 N ATOM 586 CA PRO A 46 1.359 -6.931 6.939 1.00 0.00 C ATOM 587 C PRO A 46 2.147 -8.102 7.517 1.00 0.00 C ATOM 588 O PRO A 46 1.694 -8.798 8.426 1.00 0.00 O ATOM 589 CB PRO A 46 1.265 -5.794 7.959 1.00 0.00 C ATOM 590 CG PRO A 46 -0.040 -6.007 8.645 1.00 0.00 C ATOM 591 CD PRO A 46 -0.961 -6.592 7.611 1.00 0.00 C ATOM 0 HA PRO A 46 1.885 -6.659 6.024 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.094 -5.827 8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.301 -4.820 7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.071 -6.681 9.494 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.435 -5.068 9.033 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.674 -7.287 8.055 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.541 -5.819 7.106 1.00 0.00 H new ATOM 599 N PRO A 47 3.356 -8.325 6.980 1.00 0.00 N ATOM 600 CA PRO A 47 4.233 -9.411 7.429 1.00 0.00 C ATOM 601 C PRO A 47 4.790 -9.166 8.827 1.00 0.00 C ATOM 602 O PRO A 47 4.510 -8.140 9.448 1.00 0.00 O ATOM 603 CB PRO A 47 5.361 -9.406 6.395 1.00 0.00 C ATOM 604 CG PRO A 47 5.385 -8.013 5.867 1.00 0.00 C ATOM 605 CD PRO A 47 3.960 -7.535 5.895 1.00 0.00 C ATOM 0 HA PRO A 47 3.703 -10.361 7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.315 -9.674 6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.172 -10.127 5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.023 -7.375 6.479 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.786 -7.987 4.854 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.899 -6.465 6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.459 -7.710 4.943 1.00 0.00 H new ATOM 613 N LYS A 48 5.582 -10.113 9.317 1.00 0.00 N ATOM 614 CA LYS A 48 6.182 -10.000 10.642 1.00 0.00 C ATOM 615 C LYS A 48 7.219 -8.883 10.676 1.00 0.00 C ATOM 616 O LYS A 48 7.240 -8.070 11.600 1.00 0.00 O ATOM 617 CB LYS A 48 6.831 -11.326 11.045 1.00 0.00 C ATOM 618 CG LYS A 48 5.851 -12.330 11.628 1.00 0.00 C ATOM 619 CD LYS A 48 5.096 -13.071 10.537 1.00 0.00 C ATOM 620 CE LYS A 48 3.803 -13.673 11.064 1.00 0.00 C ATOM 621 NZ LYS A 48 2.684 -12.690 11.042 1.00 0.00 N ATOM 0 H LYS A 48 5.824 -10.968 8.817 1.00 0.00 H new ATOM 0 HA LYS A 48 5.391 -9.759 11.352 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.312 -11.766 10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.615 -11.130 11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.389 -13.046 12.250 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.142 -11.814 12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.873 -12.387 9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.727 -13.861 10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.535 -14.542 10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.956 -14.026 12.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.820 -13.139 11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.929 -11.872 11.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.521 -12.372 10.065 1.00 0.00 H new ATOM 635 N SER A 49 8.078 -8.848 9.662 1.00 0.00 N ATOM 636 CA SER A 49 9.120 -7.832 9.577 1.00 0.00 C ATOM 637 C SER A 49 8.513 -6.432 9.560 1.00 0.00 C ATOM 638 O SER A 49 9.150 -5.463 9.976 1.00 0.00 O ATOM 639 CB SER A 49 9.970 -8.046 8.323 1.00 0.00 C ATOM 640 OG SER A 49 9.155 -8.263 7.185 1.00 0.00 O ATOM 0 H SER A 49 8.073 -9.512 8.888 1.00 0.00 H new ATOM 0 HA SER A 49 9.755 -7.924 10.458 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.606 -7.176 8.158 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.631 -8.901 8.469 1.00 0.00 H new ATOM 0 HG SER A 49 9.722 -8.395 6.397 1.00 0.00 H new ATOM 646 N CYS A 50 7.280 -6.334 9.077 1.00 0.00 N ATOM 647 CA CYS A 50 6.586 -5.053 9.005 1.00 0.00 C ATOM 648 C CYS A 50 5.777 -4.801 10.273 1.00 0.00 C ATOM 649 O CYS A 50 4.896 -5.585 10.624 1.00 0.00 O ATOM 650 CB CYS A 50 5.667 -5.016 7.783 1.00 0.00 C ATOM 651 SG CYS A 50 6.516 -4.641 6.232 1.00 0.00 S ATOM 0 H CYS A 50 6.740 -7.126 8.729 1.00 0.00 H new ATOM 0 HA CYS A 50 7.335 -4.266 8.912 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.168 -5.980 7.688 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.890 -4.270 7.949 1.00 0.00 H new ATOM 0 HG CYS A 50 7.743 -4.293 6.482 1.00 0.00 H new ATOM 657 N GLN A 51 6.085 -3.703 10.956 1.00 0.00 N ATOM 658 CA GLN A 51 5.387 -3.349 12.187 1.00 0.00 C ATOM 659 C GLN A 51 3.897 -3.151 11.931 1.00 0.00 C ATOM 660 O GLN A 51 3.499 -2.642 10.883 1.00 0.00 O ATOM 661 CB GLN A 51 5.987 -2.078 12.790 1.00 0.00 C ATOM 662 CG GLN A 51 5.464 -1.760 14.182 1.00 0.00 C ATOM 663 CD GLN A 51 6.022 -0.463 14.733 1.00 0.00 C ATOM 664 OE1 GLN A 51 7.089 -0.444 15.348 1.00 0.00 O ATOM 665 NE2 GLN A 51 5.302 0.632 14.514 1.00 0.00 N ATOM 0 H GLN A 51 6.812 -3.044 10.678 1.00 0.00 H new ATOM 0 HA GLN A 51 5.509 -4.170 12.893 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.071 -2.183 12.833 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.774 -1.237 12.130 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.376 -1.699 14.152 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.719 -2.577 14.857 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.423 0.570 13.999 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.628 1.534 14.860 1.00 0.00 H new ATOM 674 N VAL A 52 3.076 -3.557 12.894 1.00 0.00 N ATOM 675 CA VAL A 52 1.630 -3.423 12.773 1.00 0.00 C ATOM 676 C VAL A 52 1.067 -2.526 13.870 1.00 0.00 C ATOM 677 O VAL A 52 1.271 -2.779 15.057 1.00 0.00 O ATOM 678 CB VAL A 52 0.932 -4.795 12.839 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.577 -4.632 12.737 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.453 -5.710 11.741 1.00 0.00 C ATOM 0 H VAL A 52 3.388 -3.982 13.767 1.00 0.00 H new ATOM 0 HA VAL A 52 1.435 -2.970 11.801 1.00 0.00 H new ATOM 0 HB VAL A 52 1.159 -5.253 13.801 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.053 -5.611 12.785 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.933 -4.015 13.562 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.828 -4.153 11.791 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.950 -6.675 11.802 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.257 -5.259 10.768 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.527 -5.852 11.865 1.00 0.00 H new ATOM 690 N GLU A 53 0.357 -1.479 13.464 1.00 0.00 N ATOM 691 CA GLU A 53 -0.235 -0.544 14.413 1.00 0.00 C ATOM 692 C GLU A 53 -1.559 -1.080 14.952 1.00 0.00 C ATOM 693 O GLU A 53 -2.099 -2.058 14.437 1.00 0.00 O ATOM 694 CB GLU A 53 -0.456 0.818 13.752 1.00 0.00 C ATOM 695 CG GLU A 53 0.822 1.620 13.569 1.00 0.00 C ATOM 696 CD GLU A 53 0.567 3.004 13.003 1.00 0.00 C ATOM 697 OE1 GLU A 53 -0.457 3.183 12.312 1.00 0.00 O ATOM 698 OE2 GLU A 53 1.392 3.907 13.253 1.00 0.00 O ATOM 0 H GLU A 53 0.178 -1.257 12.485 1.00 0.00 H new ATOM 0 HA GLU A 53 0.457 -0.427 15.247 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.924 0.669 12.779 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.155 1.397 14.356 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.329 1.712 14.529 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.494 1.078 12.904 1.00 0.00 H new ATOM 705 N ASN A 54 -2.074 -0.432 15.992 1.00 0.00 N ATOM 706 CA ASN A 54 -3.333 -0.844 16.601 1.00 0.00 C ATOM 707 C ASN A 54 -4.453 -0.877 15.566 1.00 0.00 C ATOM 708 O ASN A 54 -4.936 0.164 15.125 1.00 0.00 O ATOM 709 CB ASN A 54 -3.706 0.106 17.742 1.00 0.00 C ATOM 710 CG ASN A 54 -2.832 -0.089 18.966 1.00 0.00 C ATOM 711 OD1 ASN A 54 -1.825 -0.796 18.917 1.00 0.00 O ATOM 712 ND2 ASN A 54 -3.215 0.537 20.072 1.00 0.00 N ATOM 0 H ASN A 54 -1.639 0.380 16.430 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.203 -1.849 17.001 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.618 1.136 17.397 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.749 -0.051 18.015 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.667 0.442 20.927 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.057 1.113 20.067 1.00 0.00 H new ATOM 719 N GLY A 55 -4.862 -2.083 15.183 1.00 0.00 N ATOM 720 CA GLY A 55 -5.922 -2.231 14.203 1.00 0.00 C ATOM 721 C GLY A 55 -5.642 -1.465 12.926 1.00 0.00 C ATOM 722 O GLY A 55 -6.563 -1.120 12.186 1.00 0.00 O ATOM 0 H GLY A 55 -4.478 -2.960 15.534 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.051 -3.288 13.968 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.861 -1.883 14.633 1.00 0.00 H new ATOM 726 N ARG A 56 -4.366 -1.196 12.667 1.00 0.00 N ATOM 727 CA ARG A 56 -3.968 -0.463 11.471 1.00 0.00 C ATOM 728 C ARG A 56 -2.529 -0.794 11.085 1.00 0.00 C ATOM 729 O ARG A 56 -1.794 -1.411 11.856 1.00 0.00 O ATOM 730 CB ARG A 56 -4.112 1.043 11.699 1.00 0.00 C ATOM 731 CG ARG A 56 -4.465 1.819 10.440 1.00 0.00 C ATOM 732 CD ARG A 56 -4.997 3.204 10.771 1.00 0.00 C ATOM 733 NE ARG A 56 -4.037 3.989 11.543 1.00 0.00 N ATOM 734 CZ ARG A 56 -4.388 4.906 12.437 1.00 0.00 C ATOM 735 NH1 ARG A 56 -5.670 5.152 12.672 1.00 0.00 N ATOM 736 NH2 ARG A 56 -3.456 5.580 13.100 1.00 0.00 N ATOM 0 H ARG A 56 -3.591 -1.474 13.269 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.624 -0.765 10.655 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.883 1.216 12.450 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.178 1.431 12.105 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.582 1.909 9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.212 1.268 9.869 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.236 3.731 9.847 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.925 3.111 11.334 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.043 3.824 11.387 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.389 4.636 12.165 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.936 5.857 13.359 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.469 5.394 12.923 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.727 6.284 13.786 1.00 0.00 H new ATOM 750 N VAL A 57 -2.134 -0.381 9.885 1.00 0.00 N ATOM 751 CA VAL A 57 -0.784 -0.633 9.395 1.00 0.00 C ATOM 752 C VAL A 57 -0.380 0.395 8.345 1.00 0.00 C ATOM 753 O VAL A 57 -1.173 0.751 7.472 1.00 0.00 O ATOM 754 CB VAL A 57 -0.661 -2.044 8.791 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.544 -2.178 7.560 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.790 -2.354 8.453 1.00 0.00 C ATOM 0 H VAL A 57 -2.730 0.130 9.234 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.116 -0.554 10.252 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.001 -2.768 9.532 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.443 -3.182 7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.583 -2.002 7.837 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.239 -1.446 6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.859 -3.355 8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.159 -1.626 7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.394 -2.303 9.359 1.00 0.00 H new ATOM 766 N ILE A 58 0.859 0.868 8.434 1.00 0.00 N ATOM 767 CA ILE A 58 1.369 1.854 7.489 1.00 0.00 C ATOM 768 C ILE A 58 1.877 1.185 6.216 1.00 0.00 C ATOM 769 O ILE A 58 2.638 0.219 6.271 1.00 0.00 O ATOM 770 CB ILE A 58 2.508 2.687 8.106 1.00 0.00 C ATOM 771 CG1 ILE A 58 2.023 3.393 9.374 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.030 3.699 7.097 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.140 4.006 10.190 1.00 0.00 C ATOM 0 H ILE A 58 1.528 0.585 9.150 1.00 0.00 H new ATOM 0 HA ILE A 58 0.538 2.514 7.243 1.00 0.00 H new ATOM 0 HB ILE A 58 3.324 2.017 8.375 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.316 4.175 9.097 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.482 2.678 9.994 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.835 4.280 7.548 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.408 3.175 6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.222 4.367 6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.722 4.489 11.073 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.836 3.226 10.498 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.667 4.745 9.587 1.00 0.00 H new ATOM 785 N ALA A 59 1.450 1.706 5.070 1.00 0.00 N ATOM 786 CA ALA A 59 1.864 1.162 3.783 1.00 0.00 C ATOM 787 C ALA A 59 3.203 1.747 3.345 1.00 0.00 C ATOM 788 O ALA A 59 3.538 2.881 3.687 1.00 0.00 O ATOM 789 CB ALA A 59 0.799 1.428 2.730 1.00 0.00 C ATOM 0 H ALA A 59 0.818 2.504 5.007 1.00 0.00 H new ATOM 0 HA ALA A 59 1.987 0.085 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.122 1.016 1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.136 0.956 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.647 2.503 2.629 1.00 0.00 H new ATOM 795 N CYS A 60 3.965 0.965 2.586 1.00 0.00 N ATOM 796 CA CYS A 60 5.267 1.405 2.101 1.00 0.00 C ATOM 797 C CYS A 60 5.113 2.418 0.971 1.00 0.00 C ATOM 798 O CYS A 60 4.171 2.346 0.182 1.00 0.00 O ATOM 799 CB CYS A 60 6.086 0.206 1.619 1.00 0.00 C ATOM 800 SG CYS A 60 7.793 0.619 1.133 1.00 0.00 S ATOM 0 H CYS A 60 3.702 0.024 2.294 1.00 0.00 H new ATOM 0 HA CYS A 60 5.791 1.886 2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.116 -0.542 2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.578 -0.250 0.769 1.00 0.00 H new ATOM 0 HG CYS A 60 8.628 -0.028 1.890 1.00 0.00 H new ATOM 805 N PHE A 61 6.046 3.362 0.899 1.00 0.00 N ATOM 806 CA PHE A 61 6.014 4.391 -0.134 1.00 0.00 C ATOM 807 C PHE A 61 6.593 3.864 -1.444 1.00 0.00 C ATOM 808 O PHE A 61 6.014 4.058 -2.513 1.00 0.00 O ATOM 809 CB PHE A 61 6.795 5.625 0.321 1.00 0.00 C ATOM 810 CG PHE A 61 6.746 6.762 -0.660 1.00 0.00 C ATOM 811 CD1 PHE A 61 5.533 7.311 -1.043 1.00 0.00 C ATOM 812 CD2 PHE A 61 7.912 7.280 -1.199 1.00 0.00 C ATOM 813 CE1 PHE A 61 5.484 8.357 -1.945 1.00 0.00 C ATOM 814 CE2 PHE A 61 7.870 8.326 -2.101 1.00 0.00 C ATOM 815 CZ PHE A 61 6.654 8.864 -2.476 1.00 0.00 C ATOM 0 H PHE A 61 6.833 3.436 1.543 1.00 0.00 H new ATOM 0 HA PHE A 61 4.974 4.670 -0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.398 5.964 1.278 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.835 5.345 0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.615 6.917 -0.632 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.865 6.862 -0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.532 8.777 -2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.787 8.722 -2.512 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.618 9.680 -3.183 1.00 0.00 H new ATOM 825 N ASP A 62 7.738 3.198 -1.352 1.00 0.00 N ATOM 826 CA ASP A 62 8.396 2.642 -2.529 1.00 0.00 C ATOM 827 C ASP A 62 7.507 1.606 -3.211 1.00 0.00 C ATOM 828 O ASP A 62 7.291 1.660 -4.421 1.00 0.00 O ATOM 829 CB ASP A 62 9.733 2.008 -2.141 1.00 0.00 C ATOM 830 CG ASP A 62 10.865 3.016 -2.112 1.00 0.00 C ATOM 831 OD1 ASP A 62 10.651 4.132 -1.595 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.964 2.689 -2.607 1.00 0.00 O ATOM 0 H ASP A 62 8.230 3.030 -0.475 1.00 0.00 H new ATOM 0 HA ASP A 62 8.579 3.456 -3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.640 1.542 -1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.975 1.215 -2.849 1.00 0.00 H new ATOM 837 N SER A 63 6.995 0.664 -2.425 1.00 0.00 N ATOM 838 CA SER A 63 6.133 -0.386 -2.953 1.00 0.00 C ATOM 839 C SER A 63 5.162 0.176 -3.986 1.00 0.00 C ATOM 840 O SER A 63 4.936 -0.427 -5.037 1.00 0.00 O ATOM 841 CB SER A 63 5.357 -1.057 -1.818 1.00 0.00 C ATOM 842 OG SER A 63 4.249 -0.267 -1.422 1.00 0.00 O ATOM 0 H SER A 63 7.162 0.607 -1.420 1.00 0.00 H new ATOM 0 HA SER A 63 6.764 -1.129 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.011 -2.039 -2.141 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.018 -1.216 -0.966 1.00 0.00 H new ATOM 0 HG SER A 63 4.569 0.542 -0.971 1.00 0.00 H new ATOM 848 N LEU A 64 4.589 1.335 -3.681 1.00 0.00 N ATOM 849 CA LEU A 64 3.641 1.981 -4.582 1.00 0.00 C ATOM 850 C LEU A 64 4.159 1.970 -6.017 1.00 0.00 C ATOM 851 O LEU A 64 3.411 1.699 -6.956 1.00 0.00 O ATOM 852 CB LEU A 64 3.379 3.420 -4.133 1.00 0.00 C ATOM 853 CG LEU A 64 2.920 3.598 -2.686 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.787 5.075 -2.346 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.603 2.874 -2.451 1.00 0.00 C ATOM 0 H LEU A 64 4.764 1.847 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 64 2.707 1.421 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.293 3.996 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.623 3.852 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 64 3.673 3.162 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.459 5.182 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.752 5.566 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.055 5.536 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.292 3.012 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.841 3.280 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.731 1.811 -2.653 1.00 0.00 H new ATOM 867 N LYS A 65 5.444 2.265 -6.178 1.00 0.00 N ATOM 868 CA LYS A 65 6.065 2.285 -7.498 1.00 0.00 C ATOM 869 C LYS A 65 6.164 0.877 -8.075 1.00 0.00 C ATOM 870 O LYS A 65 6.086 0.686 -9.287 1.00 0.00 O ATOM 871 CB LYS A 65 7.457 2.915 -7.419 1.00 0.00 C ATOM 872 CG LYS A 65 7.466 4.296 -6.785 1.00 0.00 C ATOM 873 CD LYS A 65 6.839 5.333 -7.701 1.00 0.00 C ATOM 874 CE LYS A 65 7.715 5.609 -8.913 1.00 0.00 C ATOM 875 NZ LYS A 65 7.320 6.865 -9.609 1.00 0.00 N ATOM 0 H LYS A 65 6.076 2.494 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 65 5.438 2.885 -8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.112 2.258 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.873 2.983 -8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.923 4.267 -5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.491 4.585 -6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.860 4.985 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.679 6.259 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.757 5.680 -8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.647 4.772 -9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.941 7.017 -10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.334 6.788 -9.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.409 7.668 -8.954 1.00 0.00 H new ATOM 889 N GLY A 66 6.336 -0.107 -7.197 1.00 0.00 N ATOM 890 CA GLY A 66 6.441 -1.485 -7.638 1.00 0.00 C ATOM 891 C GLY A 66 7.813 -2.074 -7.378 1.00 0.00 C ATOM 892 O GLY A 66 8.006 -3.285 -7.482 1.00 0.00 O ATOM 0 H GLY A 66 6.404 0.026 -6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.688 -2.085 -7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.222 -1.540 -8.704 1.00 0.00 H new ATOM 896 N ARG A 67 8.769 -1.215 -7.039 1.00 0.00 N ATOM 897 CA ARG A 67 10.132 -1.657 -6.766 1.00 0.00 C ATOM 898 C ARG A 67 10.642 -1.066 -5.455 1.00 0.00 C ATOM 899 O ARG A 67 10.967 0.119 -5.380 1.00 0.00 O ATOM 900 CB ARG A 67 11.060 -1.257 -7.914 1.00 0.00 C ATOM 901 CG ARG A 67 10.901 -2.120 -9.155 1.00 0.00 C ATOM 902 CD ARG A 67 9.663 -1.732 -9.948 1.00 0.00 C ATOM 903 NE ARG A 67 9.774 -2.107 -11.355 1.00 0.00 N ATOM 904 CZ ARG A 67 10.462 -1.408 -12.250 1.00 0.00 C ATOM 905 NH1 ARG A 67 11.097 -0.302 -11.886 1.00 0.00 N ATOM 906 NH2 ARG A 67 10.516 -1.814 -13.512 1.00 0.00 N ATOM 0 H ARG A 67 8.625 -0.209 -6.947 1.00 0.00 H new ATOM 0 HA ARG A 67 10.124 -2.743 -6.676 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.869 -0.217 -8.178 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.093 -1.315 -7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.785 -2.019 -9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.835 -3.168 -8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.788 -2.214 -9.512 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.506 -0.656 -9.871 1.00 0.00 H new ATOM 0 HE ARG A 67 9.297 -2.953 -11.667 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.057 0.013 -10.917 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.625 0.233 -12.575 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.029 -2.664 -13.796 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.045 -1.276 -14.199 1.00 0.00 H new ATOM 920 N CYS A 68 10.710 -1.900 -4.423 1.00 0.00 N ATOM 921 CA CYS A 68 11.179 -1.462 -3.114 1.00 0.00 C ATOM 922 C CYS A 68 12.633 -1.871 -2.893 1.00 0.00 C ATOM 923 O CYS A 68 13.090 -2.885 -3.419 1.00 0.00 O ATOM 924 CB CYS A 68 10.299 -2.050 -2.009 1.00 0.00 C ATOM 925 SG CYS A 68 10.778 -1.542 -0.327 1.00 0.00 S ATOM 0 H CYS A 68 10.446 -2.884 -4.468 1.00 0.00 H new ATOM 0 HA CYS A 68 11.115 -0.374 -3.079 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.265 -1.753 -2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.333 -3.138 -2.072 1.00 0.00 H new ATOM 0 HG CYS A 68 9.820 -0.843 0.205 1.00 0.00 H new ATOM 930 N SER A 69 13.353 -1.074 -2.110 1.00 0.00 N ATOM 931 CA SER A 69 14.756 -1.350 -1.821 1.00 0.00 C ATOM 932 C SER A 69 14.947 -1.711 -0.352 1.00 0.00 C ATOM 933 O SER A 69 15.561 -2.727 -0.026 1.00 0.00 O ATOM 934 CB SER A 69 15.620 -0.139 -2.177 1.00 0.00 C ATOM 935 OG SER A 69 16.969 -0.518 -2.387 1.00 0.00 O ATOM 0 H SER A 69 12.988 -0.232 -1.664 1.00 0.00 H new ATOM 0 HA SER A 69 15.066 -2.200 -2.429 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.229 0.339 -3.075 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.567 0.598 -1.375 1.00 0.00 H new ATOM 0 HG SER A 69 17.500 0.274 -2.615 1.00 0.00 H new ATOM 941 N ARG A 70 14.416 -0.872 0.531 1.00 0.00 N ATOM 942 CA ARG A 70 14.529 -1.101 1.967 1.00 0.00 C ATOM 943 C ARG A 70 14.492 -2.593 2.284 1.00 0.00 C ATOM 944 O ARG A 70 13.469 -3.251 2.099 1.00 0.00 O ATOM 945 CB ARG A 70 13.401 -0.383 2.710 1.00 0.00 C ATOM 946 CG ARG A 70 13.284 1.092 2.362 1.00 0.00 C ATOM 947 CD ARG A 70 12.423 1.836 3.370 1.00 0.00 C ATOM 948 NE ARG A 70 12.149 3.208 2.950 1.00 0.00 N ATOM 949 CZ ARG A 70 11.233 3.530 2.043 1.00 0.00 C ATOM 950 NH1 ARG A 70 10.506 2.584 1.465 1.00 0.00 N ATOM 951 NH2 ARG A 70 11.043 4.801 1.714 1.00 0.00 N ATOM 0 H ARG A 70 13.903 -0.027 0.278 1.00 0.00 H new ATOM 0 HA ARG A 70 15.487 -0.700 2.299 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.456 -0.877 2.483 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.563 -0.483 3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.278 1.539 2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.854 1.199 1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.482 1.304 3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.925 1.847 4.337 1.00 0.00 H new ATOM 0 HE ARG A 70 12.690 3.960 3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.649 1.606 1.716 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.804 2.834 0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.600 5.531 2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.340 5.048 1.018 1.00 0.00 H new ATOM 965 N GLU A 71 15.616 -3.119 2.760 1.00 0.00 N ATOM 966 CA GLU A 71 15.712 -4.534 3.101 1.00 0.00 C ATOM 967 C GLU A 71 14.849 -4.860 4.317 1.00 0.00 C ATOM 968 O GLU A 71 14.152 -5.874 4.343 1.00 0.00 O ATOM 969 CB GLU A 71 17.167 -4.918 3.377 1.00 0.00 C ATOM 970 CG GLU A 71 17.896 -3.932 4.274 1.00 0.00 C ATOM 971 CD GLU A 71 19.251 -4.445 4.724 1.00 0.00 C ATOM 972 OE1 GLU A 71 19.366 -5.658 4.997 1.00 0.00 O ATOM 973 OE2 GLU A 71 20.196 -3.632 4.801 1.00 0.00 O ATOM 0 H GLU A 71 16.472 -2.588 2.918 1.00 0.00 H new ATOM 0 HA GLU A 71 15.347 -5.111 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.192 -5.905 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.699 -4.997 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.027 -2.990 3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 71 17.282 -3.721 5.150 1.00 0.00 H new ATOM 980 N ASN A 72 14.902 -3.993 5.323 1.00 0.00 N ATOM 981 CA ASN A 72 14.126 -4.189 6.542 1.00 0.00 C ATOM 982 C ASN A 72 12.850 -3.353 6.516 1.00 0.00 C ATOM 983 O ASN A 72 12.313 -2.987 7.562 1.00 0.00 O ATOM 984 CB ASN A 72 14.964 -3.822 7.769 1.00 0.00 C ATOM 985 CG ASN A 72 16.283 -4.570 7.813 1.00 0.00 C ATOM 986 OD1 ASN A 72 16.706 -5.163 6.821 1.00 0.00 O ATOM 987 ND2 ASN A 72 16.938 -4.546 8.968 1.00 0.00 N ATOM 0 H ASN A 72 15.474 -3.148 5.318 1.00 0.00 H new ATOM 0 HA ASN A 72 13.848 -5.241 6.601 1.00 0.00 H new ATOM 0 HB2 ASN A 72 15.158 -2.749 7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.395 -4.041 8.673 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.830 -5.032 9.059 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.549 -4.041 9.764 1.00 0.00 H new ATOM 994 N CYS A 73 12.369 -3.055 5.313 1.00 0.00 N ATOM 995 CA CYS A 73 11.157 -2.263 5.149 1.00 0.00 C ATOM 996 C CYS A 73 10.135 -2.601 6.231 1.00 0.00 C ATOM 997 O CYS A 73 9.553 -3.686 6.234 1.00 0.00 O ATOM 998 CB CYS A 73 10.549 -2.504 3.765 1.00 0.00 C ATOM 999 SG CYS A 73 9.229 -1.330 3.319 1.00 0.00 S ATOM 0 H CYS A 73 12.801 -3.351 4.438 1.00 0.00 H new ATOM 0 HA CYS A 73 11.425 -1.211 5.243 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.340 -2.446 3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 73 10.148 -3.517 3.727 1.00 0.00 H new ATOM 0 HG CYS A 73 8.074 -1.831 3.644 1.00 0.00 H new ATOM 1004 N LYS A 74 9.923 -1.664 7.149 1.00 0.00 N ATOM 1005 CA LYS A 74 8.971 -1.860 8.237 1.00 0.00 C ATOM 1006 C LYS A 74 7.565 -1.450 7.810 1.00 0.00 C ATOM 1007 O LYS A 74 6.713 -1.157 8.648 1.00 0.00 O ATOM 1008 CB LYS A 74 9.397 -1.055 9.466 1.00 0.00 C ATOM 1009 CG LYS A 74 9.390 0.447 9.242 1.00 0.00 C ATOM 1010 CD LYS A 74 9.707 1.204 10.521 1.00 0.00 C ATOM 1011 CE LYS A 74 8.488 1.303 11.426 1.00 0.00 C ATOM 1012 NZ LYS A 74 8.867 1.598 12.835 1.00 0.00 N ATOM 0 H LYS A 74 10.397 -0.761 7.162 1.00 0.00 H new ATOM 0 HA LYS A 74 8.960 -2.920 8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.730 -1.293 10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.399 -1.365 9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.121 0.705 8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.414 0.755 8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.516 0.702 11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.061 2.205 10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.824 2.085 11.057 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.930 0.367 11.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.009 1.658 13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.480 0.839 13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.377 2.504 12.875 1.00 0.00 H new ATOM 1026 N TYR A 75 7.330 -1.434 6.502 1.00 0.00 N ATOM 1027 CA TYR A 75 6.028 -1.059 5.965 1.00 0.00 C ATOM 1028 C TYR A 75 5.506 -2.127 5.008 1.00 0.00 C ATOM 1029 O TYR A 75 6.248 -2.646 4.173 1.00 0.00 O ATOM 1030 CB TYR A 75 6.118 0.287 5.244 1.00 0.00 C ATOM 1031 CG TYR A 75 6.725 1.385 6.087 1.00 0.00 C ATOM 1032 CD1 TYR A 75 6.104 1.818 7.252 1.00 0.00 C ATOM 1033 CD2 TYR A 75 7.921 1.990 5.718 1.00 0.00 C ATOM 1034 CE1 TYR A 75 6.655 2.822 8.025 1.00 0.00 C ATOM 1035 CE2 TYR A 75 8.479 2.994 6.486 1.00 0.00 C ATOM 1036 CZ TYR A 75 7.843 3.407 7.638 1.00 0.00 C ATOM 1037 OH TYR A 75 8.395 4.406 8.405 1.00 0.00 O ATOM 0 H TYR A 75 8.024 -1.676 5.795 1.00 0.00 H new ATOM 0 HA TYR A 75 5.331 -0.971 6.799 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.712 0.166 4.338 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.119 0.590 4.932 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.174 1.362 7.559 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.422 1.670 4.816 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.158 3.147 8.927 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.409 3.453 6.186 1.00 0.00 H new ATOM 0 HH TYR A 75 9.231 4.710 7.994 1.00 0.00 H new ATOM 1047 N LEU A 76 4.224 -2.450 5.136 1.00 0.00 N ATOM 1048 CA LEU A 76 3.600 -3.456 4.283 1.00 0.00 C ATOM 1049 C LEU A 76 3.338 -2.900 2.887 1.00 0.00 C ATOM 1050 O LEU A 76 3.159 -1.694 2.711 1.00 0.00 O ATOM 1051 CB LEU A 76 2.289 -3.939 4.906 1.00 0.00 C ATOM 1052 CG LEU A 76 1.303 -4.617 3.954 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.768 -6.025 3.616 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.092 -4.646 4.562 1.00 0.00 C ATOM 0 H LEU A 76 3.596 -2.030 5.822 1.00 0.00 H new ATOM 0 HA LEU A 76 4.286 -4.299 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.527 -4.637 5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.791 -3.084 5.364 1.00 0.00 H new ATOM 0 HG LEU A 76 1.264 -4.038 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.053 -6.491 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.746 -5.980 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.838 -6.614 4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.780 -5.132 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.069 -5.200 5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.428 -3.626 4.751 1.00 0.00 H new ATOM 1066 N HIS A 77 3.314 -3.786 1.897 1.00 0.00 N ATOM 1067 CA HIS A 77 3.071 -3.384 0.516 1.00 0.00 C ATOM 1068 C HIS A 77 1.651 -3.742 0.088 1.00 0.00 C ATOM 1069 O HIS A 77 1.356 -4.880 -0.279 1.00 0.00 O ATOM 1070 CB HIS A 77 4.081 -4.051 -0.417 1.00 0.00 C ATOM 1071 CG HIS A 77 5.507 -3.763 -0.060 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.537 -3.813 -0.976 1.00 0.00 N ATOM 1073 CD2 HIS A 77 6.072 -3.419 1.120 1.00 0.00 C ATOM 1074 CE1 HIS A 77 7.674 -3.513 -0.374 1.00 0.00 C ATOM 1075 NE2 HIS A 77 7.419 -3.270 0.899 1.00 0.00 N ATOM 0 H HIS A 77 3.460 -4.787 2.025 1.00 0.00 H new ATOM 0 HA HIS A 77 3.189 -2.302 0.452 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.922 -5.129 -0.401 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.896 -3.717 -1.438 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.559 -3.286 2.061 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.646 -3.473 -0.843 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.110 -3.013 1.604 1.00 0.00 H new ATOM 1083 N PRO A 78 0.749 -2.750 0.136 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.654 -2.937 -0.244 1.00 0.00 C ATOM 1085 C PRO A 78 -0.826 -3.153 -1.743 1.00 0.00 C ATOM 1086 O PRO A 78 -0.067 -2.632 -2.561 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.316 -1.626 0.187 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.214 -0.623 0.172 1.00 0.00 C ATOM 1089 CD PRO A 78 1.031 -1.370 0.563 1.00 0.00 C ATOM 0 HA PRO A 78 -1.087 -3.823 0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.117 -1.344 -0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.759 -1.713 1.179 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.107 -0.176 -0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.417 0.190 0.869 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.914 -0.968 0.066 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.215 -1.311 1.636 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.847 -3.939 -2.116 1.00 0.00 N ATOM 1098 CA PRO A 79 -2.142 -4.241 -3.520 1.00 0.00 C ATOM 1099 C PRO A 79 -2.673 -3.026 -4.274 1.00 0.00 C ATOM 1100 O PRO A 79 -2.954 -1.986 -3.679 1.00 0.00 O ATOM 1101 CB PRO A 79 -3.217 -5.327 -3.431 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.870 -5.106 -2.110 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.792 -4.593 -1.195 1.00 0.00 C ATOM 0 HA PRO A 79 -1.251 -4.548 -4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.935 -5.241 -4.247 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.780 -6.323 -3.495 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.686 -4.388 -2.193 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.299 -6.032 -1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.188 -3.892 -0.461 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.317 -5.402 -0.640 1.00 0.00 H new ATOM 1111 N THR A 80 -2.810 -3.166 -5.589 1.00 0.00 N ATOM 1112 CA THR A 80 -3.307 -2.080 -6.425 1.00 0.00 C ATOM 1113 C THR A 80 -4.717 -1.671 -6.015 1.00 0.00 C ATOM 1114 O THR A 80 -4.945 -0.540 -5.585 1.00 0.00 O ATOM 1115 CB THR A 80 -3.312 -2.475 -7.914 1.00 0.00 C ATOM 1116 OG1 THR A 80 -2.085 -3.132 -8.251 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.496 -1.251 -8.798 1.00 0.00 C ATOM 0 H THR A 80 -2.584 -4.021 -6.098 1.00 0.00 H new ATOM 0 HA THR A 80 -2.631 -1.237 -6.282 1.00 0.00 H new ATOM 0 HB THR A 80 -4.147 -3.155 -8.083 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.097 -3.381 -9.199 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.496 -1.555 -9.845 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.444 -0.769 -8.560 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.679 -0.550 -8.624 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.660 -2.598 -6.149 1.00 0.00 N ATOM 1126 CA HIS A 81 -7.048 -2.334 -5.791 1.00 0.00 C ATOM 1127 C HIS A 81 -7.132 -1.541 -4.490 1.00 0.00 C ATOM 1128 O HIS A 81 -8.068 -0.768 -4.281 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.820 -3.646 -5.652 1.00 0.00 C ATOM 1130 CG HIS A 81 -7.305 -4.531 -4.559 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -6.261 -5.414 -4.735 1.00 0.00 N ATOM 1132 CD2 HIS A 81 -7.695 -4.665 -3.270 1.00 0.00 C ATOM 1133 CE1 HIS A 81 -6.032 -6.054 -3.602 1.00 0.00 C ATOM 1134 NE2 HIS A 81 -6.889 -5.617 -2.697 1.00 0.00 N ATOM 0 H HIS A 81 -5.488 -3.539 -6.503 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.496 -1.740 -6.588 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.870 -3.422 -5.463 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.775 -4.186 -6.597 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.492 -4.123 -2.783 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.273 -6.806 -3.443 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -6.943 -5.935 -1.729 1.00 0.00 H new ATOM 1142 N LEU A 82 -6.149 -1.737 -3.619 1.00 0.00 N ATOM 1143 CA LEU A 82 -6.111 -1.041 -2.337 1.00 0.00 C ATOM 1144 C LEU A 82 -5.381 0.292 -2.463 1.00 0.00 C ATOM 1145 O LEU A 82 -5.789 1.294 -1.876 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.429 -1.912 -1.281 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.294 -3.005 -0.651 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.553 -3.677 0.494 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.616 -2.426 -0.168 1.00 0.00 C ATOM 0 H LEU A 82 -5.367 -2.372 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.138 -0.844 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.557 -2.383 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.062 -1.263 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.506 -3.758 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.183 -4.452 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.634 -4.126 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.310 -2.936 1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.219 -3.217 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.424 -1.653 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.153 -1.992 -1.011 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.299 0.298 -3.235 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.512 1.507 -3.442 1.00 0.00 C ATOM 1163 C LYS A 83 -4.418 2.725 -3.598 1.00 0.00 C ATOM 1164 O LYS A 83 -4.114 3.807 -3.095 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.624 1.357 -4.679 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.268 0.740 -4.382 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.205 1.238 -5.348 1.00 0.00 C ATOM 1168 CE LYS A 83 -0.213 0.441 -6.644 1.00 0.00 C ATOM 1169 NZ LYS A 83 0.155 -0.984 -6.421 1.00 0.00 N ATOM 0 H LYS A 83 -3.947 -0.523 -3.728 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.881 1.655 -2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.141 0.741 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.477 2.338 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.974 0.980 -3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.339 -0.346 -4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.376 2.292 -5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.777 1.164 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.203 0.494 -7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.485 0.890 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.026 -1.204 -6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.311 -1.148 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.614 -1.598 -6.757 1.00 0.00 H new ATOM 1183 N THR A 84 -5.533 2.542 -4.299 1.00 0.00 N ATOM 1184 CA THR A 84 -6.482 3.625 -4.521 1.00 0.00 C ATOM 1185 C THR A 84 -6.991 4.190 -3.200 1.00 0.00 C ATOM 1186 O THR A 84 -6.952 5.399 -2.976 1.00 0.00 O ATOM 1187 CB THR A 84 -7.684 3.154 -5.362 1.00 0.00 C ATOM 1188 OG1 THR A 84 -7.225 2.445 -6.518 1.00 0.00 O ATOM 1189 CG2 THR A 84 -8.539 4.337 -5.793 1.00 0.00 C ATOM 0 H THR A 84 -5.800 1.653 -4.723 1.00 0.00 H new ATOM 0 HA THR A 84 -5.950 4.405 -5.065 1.00 0.00 H new ATOM 0 HB THR A 84 -8.292 2.491 -4.747 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.995 2.147 -7.046 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.382 3.980 -6.385 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.911 4.858 -4.911 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.938 5.021 -6.392 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.468 3.307 -2.328 1.00 0.00 N ATOM 1198 CA GLN A 85 -7.984 3.719 -1.029 1.00 0.00 C ATOM 1199 C GLN A 85 -7.083 4.773 -0.394 1.00 0.00 C ATOM 1200 O GLN A 85 -7.559 5.686 0.282 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.108 2.511 -0.099 1.00 0.00 C ATOM 1202 CG GLN A 85 -9.434 1.778 -0.226 1.00 0.00 C ATOM 1203 CD GLN A 85 -9.683 0.818 0.920 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -9.795 -0.392 0.718 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -9.772 1.353 2.132 1.00 0.00 N ATOM 0 H GLN A 85 -7.508 2.302 -2.498 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.971 4.155 -1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.296 1.815 -0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.983 2.842 0.932 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.244 2.506 -0.268 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.452 1.227 -1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.673 2.361 2.253 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.939 0.756 2.942 1.00 0.00 H new ATOM 1214 N LEU A 86 -5.780 4.641 -0.616 1.00 0.00 N ATOM 1215 CA LEU A 86 -4.811 5.583 -0.066 1.00 0.00 C ATOM 1216 C LEU A 86 -5.008 6.975 -0.658 1.00 0.00 C ATOM 1217 O LEU A 86 -5.271 7.935 0.066 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.387 5.097 -0.339 1.00 0.00 C ATOM 1219 CG LEU A 86 -2.979 3.794 0.350 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -1.647 3.298 -0.193 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -2.903 3.988 1.857 1.00 0.00 C ATOM 0 H LEU A 86 -5.370 3.891 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.968 5.641 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.268 4.968 -1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.692 5.879 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.738 3.041 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.372 2.370 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.735 3.119 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.878 4.049 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.611 3.050 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.165 4.756 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.878 4.297 2.234 1.00 0.00 H new