USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=22 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 133:sc= 1.04 USER MOD Set 1.2: A 68 CYS SG : rot 115:sc= -0.516 USER MOD Set 1.3: A 73 CYS SG : rot -99:sc= 1.96 USER MOD Set 1.4: A 77 HIS : no HD1:sc= -0.797 K(o=1.7,f=-5.4!) USER MOD Set 2.1: A 26 CYS SG : rot 136:sc= 0.1 USER MOD Set 2.2: A 34 CYS SG : rot -150:sc= 0.394 USER MOD Set 2.3: A 41 CYS SG : rot 142:sc= -0.196 USER MOD Set 2.4: A 45 HIS :FLIP no HD1:sc= -0.585 F(o=-1.5,f=-0.29) USER MOD Set 3.1: A 28 GLN : amide:sc= -1.12 K(o=-1.5,f=-5.5!) USER MOD Set 3.2: A 33 THR OG1 : rot 170:sc= -0.348 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.019) USER MOD Single : A 35 SER OG : rot 68:sc= 0.372 USER MOD Single : A 37 SER OG : rot -100:sc= -0.203 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0328 (180deg=-0.288) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -21:sc= -3.24 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 54 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.7!) USER MOD Single : A 63 SER OG : rot -58:sc= 0.675 USER MOD Single : A 65 LYS NZ :NH3+ -116:sc= -1.72! (180deg=-5.08!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.0342 K(o=0.034,f=-3.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0202 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS :FLIP no HE2:sc= -10.7! C(o=-12!,f=-11!) USER MOD Single : A 83 LYS NZ :NH3+ 143:sc= 0.746 (180deg=0.126) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -1.438 7.418 4.918 1.00 0.00 N ATOM 193 CA LEU A 21 -0.805 6.167 4.514 1.00 0.00 C ATOM 194 C LEU A 21 -1.191 5.032 5.457 1.00 0.00 C ATOM 195 O LEU A 21 -0.402 4.118 5.702 1.00 0.00 O ATOM 196 CB LEU A 21 0.716 6.328 4.486 1.00 0.00 C ATOM 197 CG LEU A 21 1.272 7.264 3.412 1.00 0.00 C ATOM 198 CD1 LEU A 21 2.694 7.681 3.752 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.223 6.596 2.046 1.00 0.00 C ATOM 0 HA LEU A 21 -1.156 5.917 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.041 6.692 5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.163 5.343 4.348 1.00 0.00 H new ATOM 0 HG LEU A 21 0.651 8.159 3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.073 8.347 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.702 8.199 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.328 6.796 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.622 7.276 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.821 5.685 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.191 6.348 1.799 1.00 0.00 H new ATOM 211 N THR A 22 -2.410 5.094 5.982 1.00 0.00 N ATOM 212 CA THR A 22 -2.901 4.071 6.897 1.00 0.00 C ATOM 213 C THR A 22 -3.977 3.215 6.238 1.00 0.00 C ATOM 214 O THR A 22 -4.695 3.676 5.350 1.00 0.00 O ATOM 215 CB THR A 22 -3.475 4.696 8.183 1.00 0.00 C ATOM 216 OG1 THR A 22 -4.277 5.837 7.857 1.00 0.00 O ATOM 217 CG2 THR A 22 -2.358 5.108 9.129 1.00 0.00 C ATOM 0 H THR A 22 -3.076 5.842 5.789 1.00 0.00 H new ATOM 0 HA THR A 22 -2.048 3.443 7.156 1.00 0.00 H new ATOM 0 HB THR A 22 -4.093 3.948 8.680 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.640 6.228 8.679 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.787 5.547 10.030 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.767 4.232 9.398 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.717 5.841 8.638 1.00 0.00 H new ATOM 225 N LEU A 23 -4.084 1.966 6.678 1.00 0.00 N ATOM 226 CA LEU A 23 -5.073 1.044 6.131 1.00 0.00 C ATOM 227 C LEU A 23 -5.579 0.087 7.207 1.00 0.00 C ATOM 228 O LEU A 23 -4.816 -0.357 8.064 1.00 0.00 O ATOM 229 CB LEU A 23 -4.473 0.251 4.969 1.00 0.00 C ATOM 230 CG LEU A 23 -4.411 0.976 3.624 1.00 0.00 C ATOM 231 CD1 LEU A 23 -3.480 0.247 2.668 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.803 1.103 3.022 1.00 0.00 C ATOM 0 H LEU A 23 -3.498 1.569 7.412 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.916 1.630 5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.462 -0.050 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.054 -0.663 4.840 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.016 1.978 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.448 0.777 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.478 0.208 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.846 -0.767 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.740 1.621 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.225 0.110 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.442 1.669 3.700 1.00 0.00 H new ATOM 244 N GLU A 24 -6.870 -0.226 7.153 1.00 0.00 N ATOM 245 CA GLU A 24 -7.476 -1.131 8.122 1.00 0.00 C ATOM 246 C GLU A 24 -6.942 -2.550 7.950 1.00 0.00 C ATOM 247 O GLU A 24 -6.967 -3.106 6.852 1.00 0.00 O ATOM 248 CB GLU A 24 -8.999 -1.127 7.974 1.00 0.00 C ATOM 249 CG GLU A 24 -9.729 -1.719 9.168 1.00 0.00 C ATOM 250 CD GLU A 24 -9.725 -0.796 10.370 1.00 0.00 C ATOM 251 OE1 GLU A 24 -10.218 0.345 10.243 1.00 0.00 O ATOM 252 OE2 GLU A 24 -9.231 -1.213 11.438 1.00 0.00 O ATOM 0 H GLU A 24 -7.515 0.133 6.449 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.214 -0.781 9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.338 -0.102 7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.270 -1.687 7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.759 -1.939 8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.264 -2.666 9.440 1.00 0.00 H new ATOM 259 N VAL A 25 -6.458 -3.131 9.043 1.00 0.00 N ATOM 260 CA VAL A 25 -5.917 -4.484 9.015 1.00 0.00 C ATOM 261 C VAL A 25 -7.034 -5.522 8.981 1.00 0.00 C ATOM 262 O VAL A 25 -8.022 -5.410 9.707 1.00 0.00 O ATOM 263 CB VAL A 25 -5.017 -4.755 10.235 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.564 -6.207 10.253 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.821 -3.815 10.233 1.00 0.00 C ATOM 0 H VAL A 25 -6.430 -2.685 9.960 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.320 -4.567 8.107 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.595 -4.569 11.140 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.929 -6.379 11.122 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.436 -6.859 10.305 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.002 -6.424 9.345 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.196 -4.020 11.102 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.240 -3.967 9.323 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.169 -2.783 10.272 1.00 0.00 H new ATOM 275 N CYS A 26 -6.871 -6.531 8.133 1.00 0.00 N ATOM 276 CA CYS A 26 -7.865 -7.590 8.003 1.00 0.00 C ATOM 277 C CYS A 26 -8.138 -8.247 9.353 1.00 0.00 C ATOM 278 O CYS A 26 -7.333 -9.038 9.845 1.00 0.00 O ATOM 279 CB CYS A 26 -7.392 -8.642 6.998 1.00 0.00 C ATOM 280 SG CYS A 26 -8.476 -10.102 6.884 1.00 0.00 S ATOM 0 H CYS A 26 -6.059 -6.638 7.525 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.791 -7.143 7.642 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.317 -8.181 6.013 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.389 -8.968 7.274 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.657 -10.412 5.634 1.00 0.00 H new ATOM 285 N ARG A 27 -9.280 -7.915 9.946 1.00 0.00 N ATOM 286 CA ARG A 27 -9.660 -8.472 11.239 1.00 0.00 C ATOM 287 C ARG A 27 -9.241 -9.935 11.345 1.00 0.00 C ATOM 288 O ARG A 27 -8.534 -10.321 12.275 1.00 0.00 O ATOM 289 CB ARG A 27 -11.171 -8.347 11.448 1.00 0.00 C ATOM 290 CG ARG A 27 -11.786 -7.148 10.744 1.00 0.00 C ATOM 291 CD ARG A 27 -13.000 -6.624 11.495 1.00 0.00 C ATOM 292 NE ARG A 27 -14.229 -7.298 11.085 1.00 0.00 N ATOM 293 CZ ARG A 27 -14.894 -7.004 9.974 1.00 0.00 C ATOM 294 NH1 ARG A 27 -14.450 -6.052 9.165 1.00 0.00 N ATOM 295 NH2 ARG A 27 -16.005 -7.662 9.669 1.00 0.00 N ATOM 0 H ARG A 27 -9.958 -7.263 9.552 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.144 -7.907 12.015 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.655 -9.256 11.090 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.377 -8.276 12.516 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.042 -6.356 10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.076 -7.428 9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.851 -6.761 12.566 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.099 -5.552 11.322 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.597 -8.036 11.686 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.596 -5.544 9.396 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.962 -5.828 8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -16.350 -8.395 10.289 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -16.514 -7.435 8.815 1.00 0.00 H new ATOM 309 N GLN A 28 -9.682 -10.743 10.386 1.00 0.00 N ATOM 310 CA GLN A 28 -9.353 -12.163 10.373 1.00 0.00 C ATOM 311 C GLN A 28 -7.849 -12.375 10.508 1.00 0.00 C ATOM 312 O GLN A 28 -7.389 -13.078 11.408 1.00 0.00 O ATOM 313 CB GLN A 28 -9.858 -12.813 9.084 1.00 0.00 C ATOM 314 CG GLN A 28 -11.346 -12.615 8.844 1.00 0.00 C ATOM 315 CD GLN A 28 -12.201 -13.268 9.912 1.00 0.00 C ATOM 316 OE1 GLN A 28 -11.686 -13.895 10.839 1.00 0.00 O ATOM 317 NE2 GLN A 28 -13.515 -13.123 9.789 1.00 0.00 N ATOM 0 H GLN A 28 -10.268 -10.438 9.608 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.845 -12.632 11.225 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.305 -12.403 8.239 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.643 -13.881 9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.566 -11.548 8.810 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.611 -13.026 7.870 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.899 -12.595 9.005 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.141 -13.539 10.479 1.00 0.00 H new ATOM 326 N PHE A 29 -7.087 -11.762 9.609 1.00 0.00 N ATOM 327 CA PHE A 29 -5.634 -11.885 9.627 1.00 0.00 C ATOM 328 C PHE A 29 -5.100 -11.812 11.054 1.00 0.00 C ATOM 329 O PHE A 29 -4.362 -12.692 11.497 1.00 0.00 O ATOM 330 CB PHE A 29 -4.997 -10.784 8.776 1.00 0.00 C ATOM 331 CG PHE A 29 -3.513 -10.659 8.970 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.655 -11.642 8.505 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.976 -9.558 9.617 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.289 -11.530 8.683 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.611 -9.440 9.798 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.766 -10.426 9.329 1.00 0.00 C ATOM 0 H PHE A 29 -7.451 -11.175 8.859 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.372 -12.857 9.208 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.202 -10.984 7.724 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.468 -9.831 9.017 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.058 -12.506 7.997 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.632 -8.783 9.984 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.631 -12.305 8.318 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.206 -8.577 10.306 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.301 -10.335 9.467 1.00 0.00 H new ATOM 346 N GLN A 30 -5.478 -10.757 11.768 1.00 0.00 N ATOM 347 CA GLN A 30 -5.036 -10.568 13.145 1.00 0.00 C ATOM 348 C GLN A 30 -5.165 -11.864 13.940 1.00 0.00 C ATOM 349 O GLN A 30 -4.211 -12.309 14.578 1.00 0.00 O ATOM 350 CB GLN A 30 -5.849 -9.461 13.817 1.00 0.00 C ATOM 351 CG GLN A 30 -5.326 -8.062 13.530 1.00 0.00 C ATOM 352 CD GLN A 30 -4.083 -7.728 14.331 1.00 0.00 C ATOM 353 OE1 GLN A 30 -4.167 -7.171 15.426 1.00 0.00 O ATOM 354 NE2 GLN A 30 -2.920 -8.068 13.788 1.00 0.00 N ATOM 0 H GLN A 30 -6.089 -10.020 11.416 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.986 -10.277 13.126 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.884 -9.528 13.483 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.850 -9.626 14.895 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.103 -7.973 12.467 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.105 -7.334 13.755 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.897 -8.528 12.878 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.049 -7.869 14.281 1.00 0.00 H new ATOM 363 N ARG A 31 -6.350 -12.463 13.897 1.00 0.00 N ATOM 364 CA ARG A 31 -6.604 -13.706 14.615 1.00 0.00 C ATOM 365 C ARG A 31 -5.865 -14.871 13.962 1.00 0.00 C ATOM 366 O ARG A 31 -5.484 -15.831 14.631 1.00 0.00 O ATOM 367 CB ARG A 31 -8.104 -13.999 14.657 1.00 0.00 C ATOM 368 CG ARG A 31 -8.921 -12.900 15.317 1.00 0.00 C ATOM 369 CD ARG A 31 -10.312 -13.389 15.691 1.00 0.00 C ATOM 370 NE ARG A 31 -10.267 -14.476 16.666 1.00 0.00 N ATOM 371 CZ ARG A 31 -11.349 -15.028 17.201 1.00 0.00 C ATOM 372 NH1 ARG A 31 -12.556 -14.598 16.859 1.00 0.00 N ATOM 373 NH2 ARG A 31 -11.227 -16.013 18.082 1.00 0.00 N ATOM 0 H ARG A 31 -7.149 -12.108 13.373 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.236 -13.589 15.634 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.465 -14.147 13.639 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.268 -14.934 15.193 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.405 -12.548 16.210 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.003 -12.049 14.640 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.890 -12.560 16.099 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.830 -13.728 14.794 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.354 -14.830 16.951 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.655 -13.841 16.183 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.385 -15.025 17.272 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.301 -16.347 18.349 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.059 -16.436 18.492 1.00 0.00 H new ATOM 387 N GLY A 32 -5.668 -14.780 12.651 1.00 0.00 N ATOM 388 CA GLY A 32 -4.977 -15.833 11.929 1.00 0.00 C ATOM 389 C GLY A 32 -5.931 -16.831 11.306 1.00 0.00 C ATOM 390 O GLY A 32 -5.609 -18.013 11.175 1.00 0.00 O ATOM 0 H GLY A 32 -5.974 -13.996 12.075 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.360 -15.389 11.148 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.304 -16.355 12.610 1.00 0.00 H new ATOM 394 N THR A 33 -7.112 -16.357 10.919 1.00 0.00 N ATOM 395 CA THR A 33 -8.118 -17.217 10.309 1.00 0.00 C ATOM 396 C THR A 33 -8.408 -16.791 8.874 1.00 0.00 C ATOM 397 O THR A 33 -9.453 -17.125 8.316 1.00 0.00 O ATOM 398 CB THR A 33 -9.432 -17.203 11.112 1.00 0.00 C ATOM 399 OG1 THR A 33 -10.104 -15.951 10.930 1.00 0.00 O ATOM 400 CG2 THR A 33 -9.164 -17.429 12.593 1.00 0.00 C ATOM 0 H THR A 33 -7.395 -15.382 11.018 1.00 0.00 H new ATOM 0 HA THR A 33 -7.712 -18.228 10.310 1.00 0.00 H new ATOM 0 HB THR A 33 -10.064 -18.012 10.746 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.008 -16.007 11.305 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.107 -17.415 13.140 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.679 -18.395 12.732 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.514 -16.639 12.970 1.00 0.00 H new ATOM 408 N CYS A 34 -7.476 -16.051 8.282 1.00 0.00 N ATOM 409 CA CYS A 34 -7.631 -15.579 6.911 1.00 0.00 C ATOM 410 C CYS A 34 -6.802 -16.423 5.948 1.00 0.00 C ATOM 411 O CYS A 34 -5.576 -16.318 5.912 1.00 0.00 O ATOM 412 CB CYS A 34 -7.217 -14.110 6.806 1.00 0.00 C ATOM 413 SG CYS A 34 -7.239 -13.451 5.108 1.00 0.00 S ATOM 0 H CYS A 34 -6.606 -15.765 8.730 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.682 -15.674 6.637 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.884 -13.510 7.426 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.213 -13.996 7.215 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.338 -12.521 4.992 1.00 0.00 H new ATOM 418 N SER A 35 -7.480 -17.260 5.169 1.00 0.00 N ATOM 419 CA SER A 35 -6.806 -18.125 4.208 1.00 0.00 C ATOM 420 C SER A 35 -6.870 -17.531 2.804 1.00 0.00 C ATOM 421 O SER A 35 -7.020 -18.253 1.818 1.00 0.00 O ATOM 422 CB SER A 35 -7.438 -19.518 4.213 1.00 0.00 C ATOM 423 OG SER A 35 -8.679 -19.518 3.529 1.00 0.00 O ATOM 0 H SER A 35 -8.495 -17.357 5.185 1.00 0.00 H new ATOM 0 HA SER A 35 -5.760 -18.207 4.502 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.760 -20.230 3.742 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.586 -19.850 5.241 1.00 0.00 H new ATOM 0 HG SER A 35 -8.526 -19.359 2.574 1.00 0.00 H new ATOM 429 N ARG A 36 -6.756 -16.209 2.722 1.00 0.00 N ATOM 430 CA ARG A 36 -6.801 -15.516 1.440 1.00 0.00 C ATOM 431 C ARG A 36 -5.482 -14.802 1.161 1.00 0.00 C ATOM 432 O ARG A 36 -4.948 -14.104 2.023 1.00 0.00 O ATOM 433 CB ARG A 36 -7.953 -14.509 1.422 1.00 0.00 C ATOM 434 CG ARG A 36 -9.328 -15.155 1.443 1.00 0.00 C ATOM 435 CD ARG A 36 -10.399 -14.204 0.933 1.00 0.00 C ATOM 436 NE ARG A 36 -11.699 -14.465 1.545 1.00 0.00 N ATOM 437 CZ ARG A 36 -11.959 -14.265 2.833 1.00 0.00 C ATOM 438 NH1 ARG A 36 -11.013 -13.804 3.640 1.00 0.00 N ATOM 439 NH2 ARG A 36 -13.167 -14.526 3.315 1.00 0.00 N ATOM 0 H ARG A 36 -6.632 -15.597 3.528 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.964 -16.259 0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.859 -13.847 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.867 -13.887 0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.317 -16.055 0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.570 -15.465 2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.100 -13.177 1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.482 -14.299 -0.150 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.449 -14.820 0.951 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.083 -13.602 3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.215 -13.651 4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.897 -14.880 2.697 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.366 -14.372 4.304 1.00 0.00 H new ATOM 453 N SER A 37 -4.962 -14.982 -0.049 1.00 0.00 N ATOM 454 CA SER A 37 -3.703 -14.359 -0.441 1.00 0.00 C ATOM 455 C SER A 37 -3.818 -12.838 -0.411 1.00 0.00 C ATOM 456 O SER A 37 -4.880 -12.290 -0.115 1.00 0.00 O ATOM 457 CB SER A 37 -3.293 -14.824 -1.840 1.00 0.00 C ATOM 458 OG SER A 37 -2.067 -14.234 -2.234 1.00 0.00 O ATOM 0 H SER A 37 -5.393 -15.554 -0.775 1.00 0.00 H new ATOM 0 HA SER A 37 -2.938 -14.662 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.198 -15.910 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.072 -14.564 -2.556 1.00 0.00 H new ATOM 0 HG SER A 37 -2.245 -13.478 -2.832 1.00 0.00 H new ATOM 464 N ASP A 38 -2.717 -12.162 -0.721 1.00 0.00 N ATOM 465 CA ASP A 38 -2.693 -10.704 -0.732 1.00 0.00 C ATOM 466 C ASP A 38 -3.580 -10.154 -1.844 1.00 0.00 C ATOM 467 O ASP A 38 -4.295 -9.171 -1.651 1.00 0.00 O ATOM 468 CB ASP A 38 -1.260 -10.198 -0.908 1.00 0.00 C ATOM 469 CG ASP A 38 -1.168 -8.686 -0.844 1.00 0.00 C ATOM 470 OD1 ASP A 38 -2.069 -8.062 -0.246 1.00 0.00 O ATOM 471 OD2 ASP A 38 -0.194 -8.128 -1.391 1.00 0.00 O ATOM 0 H ASP A 38 -1.830 -12.600 -0.968 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.080 -10.352 0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.627 -10.631 -0.133 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.871 -10.543 -1.866 1.00 0.00 H new ATOM 476 N GLU A 39 -3.527 -10.794 -3.008 1.00 0.00 N ATOM 477 CA GLU A 39 -4.325 -10.366 -4.151 1.00 0.00 C ATOM 478 C GLU A 39 -5.705 -11.018 -4.126 1.00 0.00 C ATOM 479 O GLU A 39 -6.527 -10.788 -5.012 1.00 0.00 O ATOM 480 CB GLU A 39 -3.610 -10.712 -5.459 1.00 0.00 C ATOM 481 CG GLU A 39 -2.479 -9.758 -5.805 1.00 0.00 C ATOM 482 CD GLU A 39 -1.754 -10.150 -7.077 1.00 0.00 C ATOM 483 OE1 GLU A 39 -2.415 -10.241 -8.133 1.00 0.00 O ATOM 484 OE2 GLU A 39 -0.525 -10.366 -7.018 1.00 0.00 O ATOM 0 H GLU A 39 -2.941 -11.610 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.451 -9.285 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.212 -11.724 -5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.336 -10.711 -6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.880 -8.750 -5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.767 -9.729 -4.980 1.00 0.00 H new ATOM 491 N GLU A 40 -5.950 -11.832 -3.104 1.00 0.00 N ATOM 492 CA GLU A 40 -7.229 -12.518 -2.964 1.00 0.00 C ATOM 493 C GLU A 40 -8.124 -11.800 -1.958 1.00 0.00 C ATOM 494 O GLU A 40 -9.336 -11.700 -2.149 1.00 0.00 O ATOM 495 CB GLU A 40 -7.010 -13.967 -2.525 1.00 0.00 C ATOM 496 CG GLU A 40 -8.259 -14.827 -2.621 1.00 0.00 C ATOM 497 CD GLU A 40 -7.942 -16.294 -2.837 1.00 0.00 C ATOM 498 OE1 GLU A 40 -7.790 -17.022 -1.833 1.00 0.00 O ATOM 499 OE2 GLU A 40 -7.847 -16.715 -4.009 1.00 0.00 O ATOM 0 H GLU A 40 -5.280 -12.032 -2.361 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.724 -12.511 -3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.226 -14.410 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.651 -13.976 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.843 -14.716 -1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.880 -14.469 -3.442 1.00 0.00 H new ATOM 506 N CYS A 41 -7.518 -11.302 -0.886 1.00 0.00 N ATOM 507 CA CYS A 41 -8.258 -10.593 0.152 1.00 0.00 C ATOM 508 C CYS A 41 -8.325 -9.099 -0.151 1.00 0.00 C ATOM 509 O CYS A 41 -7.379 -8.519 -0.684 1.00 0.00 O ATOM 510 CB CYS A 41 -7.606 -10.819 1.517 1.00 0.00 C ATOM 511 SG CYS A 41 -8.722 -10.541 2.930 1.00 0.00 S ATOM 0 H CYS A 41 -6.516 -11.376 -0.713 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.274 -10.987 0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.228 -11.840 1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.746 -10.156 1.611 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.474 -11.417 3.858 1.00 0.00 H new ATOM 516 N LYS A 42 -9.451 -8.482 0.191 1.00 0.00 N ATOM 517 CA LYS A 42 -9.643 -7.056 -0.042 1.00 0.00 C ATOM 518 C LYS A 42 -9.135 -6.238 1.141 1.00 0.00 C ATOM 519 O LYS A 42 -9.646 -5.154 1.424 1.00 0.00 O ATOM 520 CB LYS A 42 -11.123 -6.753 -0.288 1.00 0.00 C ATOM 521 CG LYS A 42 -11.973 -6.816 0.969 1.00 0.00 C ATOM 522 CD LYS A 42 -12.498 -8.220 1.218 1.00 0.00 C ATOM 523 CE LYS A 42 -13.839 -8.195 1.936 1.00 0.00 C ATOM 524 NZ LYS A 42 -14.084 -9.452 2.696 1.00 0.00 N ATOM 0 H LYS A 42 -10.245 -8.948 0.631 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.070 -6.777 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.214 -5.760 -0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.514 -7.462 -1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.382 -6.490 1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.811 -6.124 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.603 -8.744 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.776 -8.779 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.870 -7.346 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.638 -8.049 1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.007 -9.396 3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.080 -10.260 2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.336 -9.579 3.407 1.00 0.00 H new ATOM 538 N PHE A 43 -8.127 -6.763 1.829 1.00 0.00 N ATOM 539 CA PHE A 43 -7.550 -6.081 2.981 1.00 0.00 C ATOM 540 C PHE A 43 -6.029 -6.200 2.978 1.00 0.00 C ATOM 541 O PHE A 43 -5.456 -6.957 2.195 1.00 0.00 O ATOM 542 CB PHE A 43 -8.116 -6.660 4.279 1.00 0.00 C ATOM 543 CG PHE A 43 -9.494 -6.162 4.608 1.00 0.00 C ATOM 544 CD1 PHE A 43 -9.681 -4.884 5.110 1.00 0.00 C ATOM 545 CD2 PHE A 43 -10.602 -6.970 4.414 1.00 0.00 C ATOM 546 CE1 PHE A 43 -10.948 -4.423 5.414 1.00 0.00 C ATOM 547 CE2 PHE A 43 -11.871 -6.515 4.715 1.00 0.00 C ATOM 548 CZ PHE A 43 -12.045 -5.239 5.215 1.00 0.00 C ATOM 0 H PHE A 43 -7.693 -7.659 1.609 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.814 -5.025 2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.140 -7.747 4.202 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.444 -6.413 5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.827 -4.241 5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.472 -7.968 4.023 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.080 -3.426 5.807 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -12.726 -7.156 4.560 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.036 -4.880 5.450 1.00 0.00 H new ATOM 558 N ALA A 44 -5.380 -5.446 3.860 1.00 0.00 N ATOM 559 CA ALA A 44 -3.926 -5.468 3.961 1.00 0.00 C ATOM 560 C ALA A 44 -3.467 -6.395 5.081 1.00 0.00 C ATOM 561 O ALA A 44 -3.979 -6.335 6.199 1.00 0.00 O ATOM 562 CB ALA A 44 -3.392 -4.061 4.185 1.00 0.00 C ATOM 0 H ALA A 44 -5.839 -4.812 4.515 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.527 -5.851 3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.305 -4.092 4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.681 -3.425 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.807 -3.657 5.109 1.00 0.00 H new ATOM 568 N HIS A 45 -2.500 -7.253 4.774 1.00 0.00 N ATOM 569 CA HIS A 45 -1.972 -8.194 5.756 1.00 0.00 C ATOM 570 C HIS A 45 -0.484 -7.952 5.995 1.00 0.00 C ATOM 571 O HIS A 45 0.376 -8.485 5.294 1.00 0.00 O ATOM 572 CB HIS A 45 -2.198 -9.632 5.289 1.00 0.00 C ATOM 573 CG HIS A 45 -3.609 -9.911 4.872 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.766 -9.284 5.188 1.00 0.00 N flip ATOM 575 CD2 HIS A 45 -3.954 -10.946 4.028 1.00 0.00 C flip ATOM 576 CE1 HIS A 45 -5.779 -9.944 4.536 1.00 0.00 C flip ATOM 577 NE2 HIS A 45 -5.262 -10.942 3.842 1.00 0.00 N flip ATOM 0 H HIS A 45 -2.066 -7.316 3.853 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.503 -8.037 6.695 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.532 -9.843 4.452 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.924 -10.314 6.094 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.263 -11.650 3.588 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.827 -9.689 4.583 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.784 -11.598 3.261 1.00 0.00 H new ATOM 585 N PRO A 46 -0.173 -7.129 7.007 1.00 0.00 N ATOM 586 CA PRO A 46 1.211 -6.798 7.361 1.00 0.00 C ATOM 587 C PRO A 46 1.953 -7.983 7.967 1.00 0.00 C ATOM 588 O PRO A 46 1.535 -8.561 8.971 1.00 0.00 O ATOM 589 CB PRO A 46 1.054 -5.680 8.394 1.00 0.00 C ATOM 590 CG PRO A 46 -0.294 -5.898 8.988 1.00 0.00 C ATOM 591 CD PRO A 46 -1.147 -6.458 7.884 1.00 0.00 C ATOM 0 HA PRO A 46 1.798 -6.512 6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.834 -5.731 9.154 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.127 -4.697 7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.242 -6.588 9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.709 -4.964 9.367 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.891 -7.156 8.266 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.688 -5.673 7.357 1.00 0.00 H new ATOM 599 N PRO A 47 3.082 -8.356 7.346 1.00 0.00 N ATOM 600 CA PRO A 47 3.908 -9.476 7.808 1.00 0.00 C ATOM 601 C PRO A 47 4.616 -9.170 9.123 1.00 0.00 C ATOM 602 O PRO A 47 4.632 -8.027 9.581 1.00 0.00 O ATOM 603 CB PRO A 47 4.927 -9.655 6.680 1.00 0.00 C ATOM 604 CG PRO A 47 5.013 -8.316 6.032 1.00 0.00 C ATOM 605 CD PRO A 47 3.640 -7.713 6.145 1.00 0.00 C ATOM 0 HA PRO A 47 3.312 -10.367 8.007 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.896 -9.970 7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.604 -10.418 5.972 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.756 -7.690 6.526 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.315 -8.406 4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.685 -6.629 6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.036 -7.920 5.261 1.00 0.00 H new ATOM 613 N LYS A 48 5.203 -10.197 9.727 1.00 0.00 N ATOM 614 CA LYS A 48 5.916 -10.039 10.989 1.00 0.00 C ATOM 615 C LYS A 48 7.026 -9.000 10.860 1.00 0.00 C ATOM 616 O LYS A 48 7.202 -8.154 11.737 1.00 0.00 O ATOM 617 CB LYS A 48 6.506 -11.378 11.437 1.00 0.00 C ATOM 618 CG LYS A 48 5.457 -12.418 11.788 1.00 0.00 C ATOM 619 CD LYS A 48 4.735 -12.068 13.079 1.00 0.00 C ATOM 620 CE LYS A 48 3.501 -12.935 13.280 1.00 0.00 C ATOM 621 NZ LYS A 48 2.441 -12.632 12.278 1.00 0.00 N ATOM 0 H LYS A 48 5.199 -11.150 9.362 1.00 0.00 H new ATOM 0 HA LYS A 48 5.204 -9.694 11.739 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.142 -11.769 10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.145 -11.212 12.304 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.735 -12.496 10.976 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.931 -13.395 11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.413 -12.197 13.923 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.444 -11.018 13.061 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.780 -13.986 13.207 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.107 -12.779 14.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.529 -13.001 12.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.371 -11.603 12.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.682 -13.080 11.371 1.00 0.00 H new ATOM 635 N SER A 49 7.770 -9.069 9.761 1.00 0.00 N ATOM 636 CA SER A 49 8.864 -8.135 9.519 1.00 0.00 C ATOM 637 C SER A 49 8.361 -6.695 9.525 1.00 0.00 C ATOM 638 O SER A 49 9.005 -5.803 10.079 1.00 0.00 O ATOM 639 CB SER A 49 9.541 -8.445 8.183 1.00 0.00 C ATOM 640 OG SER A 49 10.018 -9.780 8.150 1.00 0.00 O ATOM 0 H SER A 49 7.636 -9.761 9.024 1.00 0.00 H new ATOM 0 HA SER A 49 9.591 -8.250 10.322 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.834 -8.288 7.368 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.370 -7.755 8.023 1.00 0.00 H new ATOM 0 HG SER A 49 10.445 -9.954 7.285 1.00 0.00 H new ATOM 646 N CYS A 50 7.206 -6.476 8.906 1.00 0.00 N ATOM 647 CA CYS A 50 6.615 -5.145 8.838 1.00 0.00 C ATOM 648 C CYS A 50 5.939 -4.782 10.157 1.00 0.00 C ATOM 649 O CYS A 50 5.219 -5.592 10.739 1.00 0.00 O ATOM 650 CB CYS A 50 5.602 -5.071 7.695 1.00 0.00 C ATOM 651 SG CYS A 50 6.345 -5.103 6.047 1.00 0.00 S ATOM 0 H CYS A 50 6.660 -7.204 8.444 1.00 0.00 H new ATOM 0 HA CYS A 50 7.415 -4.429 8.651 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.907 -5.906 7.785 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.017 -4.157 7.801 1.00 0.00 H new ATOM 0 HG CYS A 50 7.590 -4.737 6.125 1.00 0.00 H new ATOM 657 N GLN A 51 6.179 -3.560 10.622 1.00 0.00 N ATOM 658 CA GLN A 51 5.595 -3.092 11.873 1.00 0.00 C ATOM 659 C GLN A 51 4.086 -2.916 11.738 1.00 0.00 C ATOM 660 O GLN A 51 3.600 -2.377 10.744 1.00 0.00 O ATOM 661 CB GLN A 51 6.238 -1.770 12.298 1.00 0.00 C ATOM 662 CG GLN A 51 5.603 -1.154 13.534 1.00 0.00 C ATOM 663 CD GLN A 51 5.829 0.343 13.621 1.00 0.00 C ATOM 664 OE1 GLN A 51 6.671 0.897 12.914 1.00 0.00 O ATOM 665 NE2 GLN A 51 5.077 1.005 14.492 1.00 0.00 N ATOM 0 H GLN A 51 6.773 -2.877 10.152 1.00 0.00 H new ATOM 0 HA GLN A 51 5.788 -3.844 12.638 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.298 -1.936 12.489 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.170 -1.061 11.473 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.532 -1.356 13.527 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.012 -1.632 14.424 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.391 0.505 15.058 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.185 2.014 14.596 1.00 0.00 H new ATOM 674 N VAL A 52 3.349 -3.376 12.744 1.00 0.00 N ATOM 675 CA VAL A 52 1.895 -3.269 12.738 1.00 0.00 C ATOM 676 C VAL A 52 1.413 -2.266 13.780 1.00 0.00 C ATOM 677 O VAL A 52 1.817 -2.320 14.941 1.00 0.00 O ATOM 678 CB VAL A 52 1.231 -4.632 13.008 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.284 -4.511 12.942 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.734 -5.674 12.021 1.00 0.00 C ATOM 0 H VAL A 52 3.735 -3.826 13.574 1.00 0.00 H new ATOM 0 HA VAL A 52 1.607 -2.923 11.745 1.00 0.00 H new ATOM 0 HB VAL A 52 1.502 -4.956 14.013 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.735 -5.484 13.135 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.625 -3.797 13.692 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.579 -4.165 11.951 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.254 -6.631 12.226 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.495 -5.359 11.005 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.814 -5.780 12.123 1.00 0.00 H new ATOM 690 N GLU A 53 0.547 -1.351 13.357 1.00 0.00 N ATOM 691 CA GLU A 53 0.010 -0.335 14.254 1.00 0.00 C ATOM 692 C GLU A 53 -1.236 -0.846 14.971 1.00 0.00 C ATOM 693 O GLU A 53 -1.803 -1.872 14.599 1.00 0.00 O ATOM 694 CB GLU A 53 -0.323 0.940 13.476 1.00 0.00 C ATOM 695 CG GLU A 53 -0.192 2.209 14.303 1.00 0.00 C ATOM 696 CD GLU A 53 1.126 2.288 15.046 1.00 0.00 C ATOM 697 OE1 GLU A 53 2.133 1.764 14.524 1.00 0.00 O ATOM 698 OE2 GLU A 53 1.152 2.872 16.150 1.00 0.00 O ATOM 0 H GLU A 53 0.202 -1.292 12.399 1.00 0.00 H new ATOM 0 HA GLU A 53 0.771 -0.108 15.001 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.336 1.010 12.611 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.342 0.868 13.095 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.288 3.076 13.649 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.012 2.257 15.019 1.00 0.00 H new ATOM 705 N ASN A 54 -1.657 -0.122 16.004 1.00 0.00 N ATOM 706 CA ASN A 54 -2.835 -0.502 16.775 1.00 0.00 C ATOM 707 C ASN A 54 -4.053 -0.649 15.869 1.00 0.00 C ATOM 708 O ASN A 54 -4.609 0.339 15.392 1.00 0.00 O ATOM 709 CB ASN A 54 -3.116 0.538 17.861 1.00 0.00 C ATOM 710 CG ASN A 54 -3.241 1.942 17.300 1.00 0.00 C ATOM 711 OD1 ASN A 54 -2.248 2.561 16.920 1.00 0.00 O ATOM 712 ND2 ASN A 54 -4.467 2.450 17.246 1.00 0.00 N ATOM 0 H ASN A 54 -1.200 0.731 16.326 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.636 -1.465 17.246 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.036 0.275 18.382 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.314 0.515 18.599 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.614 3.390 16.878 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.262 1.900 17.572 1.00 0.00 H new ATOM 719 N GLY A 55 -4.464 -1.893 15.636 1.00 0.00 N ATOM 720 CA GLY A 55 -5.614 -2.148 14.789 1.00 0.00 C ATOM 721 C GLY A 55 -5.480 -1.508 13.421 1.00 0.00 C ATOM 722 O GLY A 55 -6.470 -1.331 12.711 1.00 0.00 O ATOM 0 H GLY A 55 -4.021 -2.728 16.019 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.744 -3.224 14.672 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.512 -1.770 15.277 1.00 0.00 H new ATOM 726 N ARG A 56 -4.252 -1.158 13.051 1.00 0.00 N ATOM 727 CA ARG A 56 -3.993 -0.531 11.761 1.00 0.00 C ATOM 728 C ARG A 56 -2.552 -0.772 11.319 1.00 0.00 C ATOM 729 O ARG A 56 -1.738 -1.297 12.079 1.00 0.00 O ATOM 730 CB ARG A 56 -4.270 0.971 11.834 1.00 0.00 C ATOM 731 CG ARG A 56 -4.691 1.579 10.506 1.00 0.00 C ATOM 732 CD ARG A 56 -5.407 2.906 10.703 1.00 0.00 C ATOM 733 NE ARG A 56 -6.616 2.761 11.510 1.00 0.00 N ATOM 734 CZ ARG A 56 -6.639 2.895 12.831 1.00 0.00 C ATOM 735 NH1 ARG A 56 -5.524 3.176 13.491 1.00 0.00 N ATOM 736 NH2 ARG A 56 -7.778 2.749 13.495 1.00 0.00 N ATOM 0 H ARG A 56 -3.422 -1.298 13.626 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.661 -0.981 11.027 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.053 1.152 12.571 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.374 1.480 12.189 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.813 1.728 9.878 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.346 0.886 9.978 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.732 3.614 11.185 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.668 3.325 9.731 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.491 2.545 11.032 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.646 3.290 12.984 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.544 3.279 14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.638 2.533 12.991 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.794 2.852 14.510 1.00 0.00 H new ATOM 750 N VAL A 57 -2.244 -0.386 10.085 1.00 0.00 N ATOM 751 CA VAL A 57 -0.902 -0.560 9.542 1.00 0.00 C ATOM 752 C VAL A 57 -0.597 0.496 8.485 1.00 0.00 C ATOM 753 O VAL A 57 -1.475 0.896 7.720 1.00 0.00 O ATOM 754 CB VAL A 57 -0.724 -1.958 8.921 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.662 -2.140 7.737 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.722 -2.175 8.505 1.00 0.00 C ATOM 0 H VAL A 57 -2.906 0.049 9.442 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.207 -0.450 10.374 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.978 -2.706 9.672 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.522 -3.134 7.311 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.694 -2.030 8.070 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.443 -1.387 6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.830 -3.168 8.068 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.006 -1.422 7.770 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.368 -2.091 9.379 1.00 0.00 H new ATOM 766 N ILE A 58 0.654 0.943 8.448 1.00 0.00 N ATOM 767 CA ILE A 58 1.076 1.951 7.484 1.00 0.00 C ATOM 768 C ILE A 58 1.542 1.307 6.183 1.00 0.00 C ATOM 769 O ILE A 58 2.092 0.206 6.186 1.00 0.00 O ATOM 770 CB ILE A 58 2.212 2.827 8.046 1.00 0.00 C ATOM 771 CG1 ILE A 58 1.955 3.151 9.519 1.00 0.00 C ATOM 772 CG2 ILE A 58 2.347 4.106 7.232 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.190 3.610 10.261 1.00 0.00 C ATOM 0 H ILE A 58 1.393 0.623 9.074 1.00 0.00 H new ATOM 0 HA ILE A 58 0.208 2.580 7.285 1.00 0.00 H new ATOM 0 HB ILE A 58 3.148 2.273 7.974 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.192 3.927 9.584 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.552 2.266 10.012 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.154 4.714 7.641 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.572 3.855 6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.413 4.665 7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.933 3.822 11.299 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.947 2.826 10.227 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.581 4.513 9.792 1.00 0.00 H new ATOM 785 N ALA A 59 1.321 2.002 5.072 1.00 0.00 N ATOM 786 CA ALA A 59 1.722 1.499 3.764 1.00 0.00 C ATOM 787 C ALA A 59 3.044 2.117 3.320 1.00 0.00 C ATOM 788 O ALA A 59 3.244 3.327 3.430 1.00 0.00 O ATOM 789 CB ALA A 59 0.635 1.778 2.736 1.00 0.00 C ATOM 0 H ALA A 59 0.866 2.915 5.052 1.00 0.00 H new ATOM 0 HA ALA A 59 1.864 0.421 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.947 1.397 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.288 1.284 3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.466 2.853 2.668 1.00 0.00 H new ATOM 795 N CYS A 60 3.944 1.278 2.819 1.00 0.00 N ATOM 796 CA CYS A 60 5.248 1.741 2.359 1.00 0.00 C ATOM 797 C CYS A 60 5.101 2.695 1.177 1.00 0.00 C ATOM 798 O CYS A 60 4.192 2.553 0.360 1.00 0.00 O ATOM 799 CB CYS A 60 6.123 0.551 1.961 1.00 0.00 C ATOM 800 SG CYS A 60 7.757 1.016 1.304 1.00 0.00 S ATOM 0 H CYS A 60 3.794 0.274 2.721 1.00 0.00 H new ATOM 0 HA CYS A 60 5.725 2.277 3.179 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.262 -0.091 2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.596 -0.039 1.211 1.00 0.00 H new ATOM 0 HG CYS A 60 8.675 0.293 1.873 1.00 0.00 H new ATOM 805 N PHE A 61 6.002 3.668 1.095 1.00 0.00 N ATOM 806 CA PHE A 61 5.973 4.647 0.014 1.00 0.00 C ATOM 807 C PHE A 61 6.399 4.012 -1.307 1.00 0.00 C ATOM 808 O PHE A 61 5.660 4.046 -2.291 1.00 0.00 O ATOM 809 CB PHE A 61 6.888 5.829 0.343 1.00 0.00 C ATOM 810 CG PHE A 61 7.002 6.828 -0.773 1.00 0.00 C ATOM 811 CD1 PHE A 61 5.871 7.438 -1.292 1.00 0.00 C ATOM 812 CD2 PHE A 61 8.239 7.156 -1.302 1.00 0.00 C ATOM 813 CE1 PHE A 61 5.973 8.358 -2.319 1.00 0.00 C ATOM 814 CE2 PHE A 61 8.347 8.076 -2.329 1.00 0.00 C ATOM 815 CZ PHE A 61 7.212 8.676 -2.838 1.00 0.00 C ATOM 0 H PHE A 61 6.761 3.800 1.764 1.00 0.00 H new ATOM 0 HA PHE A 61 4.949 5.006 -0.089 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.512 6.332 1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.882 5.452 0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.899 7.192 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.129 6.688 -0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.084 8.827 -2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.317 8.325 -2.732 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.294 9.393 -3.641 1.00 0.00 H new ATOM 825 N ASP A 62 7.595 3.435 -1.320 1.00 0.00 N ATOM 826 CA ASP A 62 8.121 2.792 -2.519 1.00 0.00 C ATOM 827 C ASP A 62 7.142 1.748 -3.048 1.00 0.00 C ATOM 828 O ASP A 62 6.769 1.771 -4.221 1.00 0.00 O ATOM 829 CB ASP A 62 9.472 2.139 -2.223 1.00 0.00 C ATOM 830 CG ASP A 62 10.609 3.141 -2.215 1.00 0.00 C ATOM 831 OD1 ASP A 62 10.839 3.787 -3.259 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.270 3.280 -1.164 1.00 0.00 O ATOM 0 H ASP A 62 8.219 3.399 -0.514 1.00 0.00 H new ATOM 0 HA ASP A 62 8.257 3.558 -3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.426 1.638 -1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.673 1.372 -2.970 1.00 0.00 H new ATOM 837 N SER A 63 6.732 0.833 -2.176 1.00 0.00 N ATOM 838 CA SER A 63 5.801 -0.223 -2.557 1.00 0.00 C ATOM 839 C SER A 63 4.735 0.311 -3.510 1.00 0.00 C ATOM 840 O SER A 63 4.333 -0.370 -4.454 1.00 0.00 O ATOM 841 CB SER A 63 5.137 -0.820 -1.314 1.00 0.00 C ATOM 842 OG SER A 63 4.129 0.040 -0.812 1.00 0.00 O ATOM 0 H SER A 63 7.030 0.801 -1.201 1.00 0.00 H new ATOM 0 HA SER A 63 6.364 -1.003 -3.069 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.703 -1.789 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.889 -0.993 -0.544 1.00 0.00 H new ATOM 0 HG SER A 63 4.520 0.913 -0.600 1.00 0.00 H new ATOM 848 N LEU A 64 4.282 1.533 -3.255 1.00 0.00 N ATOM 849 CA LEU A 64 3.262 2.160 -4.089 1.00 0.00 C ATOM 850 C LEU A 64 3.636 2.071 -5.566 1.00 0.00 C ATOM 851 O LEU A 64 2.809 1.716 -6.406 1.00 0.00 O ATOM 852 CB LEU A 64 3.075 3.624 -3.687 1.00 0.00 C ATOM 853 CG LEU A 64 2.761 3.879 -2.212 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.811 5.368 -1.906 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.400 3.303 -1.849 1.00 0.00 C ATOM 0 H LEU A 64 4.604 2.110 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 64 2.325 1.625 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.983 4.170 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.269 4.045 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 64 3.517 3.379 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.585 5.531 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.807 5.752 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.077 5.890 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.193 3.494 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.631 3.774 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.400 2.228 -2.030 1.00 0.00 H new ATOM 867 N LYS A 65 4.887 2.392 -5.874 1.00 0.00 N ATOM 868 CA LYS A 65 5.373 2.345 -7.248 1.00 0.00 C ATOM 869 C LYS A 65 5.384 0.913 -7.773 1.00 0.00 C ATOM 870 O LYS A 65 5.211 0.678 -8.968 1.00 0.00 O ATOM 871 CB LYS A 65 6.780 2.942 -7.334 1.00 0.00 C ATOM 872 CG LYS A 65 6.891 4.328 -6.722 1.00 0.00 C ATOM 873 CD LYS A 65 6.644 5.415 -7.755 1.00 0.00 C ATOM 874 CE LYS A 65 5.165 5.755 -7.862 1.00 0.00 C ATOM 875 NZ LYS A 65 4.483 4.944 -8.907 1.00 0.00 N ATOM 0 H LYS A 65 5.584 2.688 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 65 4.696 2.935 -7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.480 2.275 -6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.082 2.991 -8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.171 4.427 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.882 4.456 -6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.206 6.309 -7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.014 5.087 -8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.683 5.586 -6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.052 6.814 -8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.138 5.570 -9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.154 4.257 -9.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.679 4.437 -8.484 1.00 0.00 H new ATOM 889 N GLY A 66 5.588 -0.042 -6.870 1.00 0.00 N ATOM 890 CA GLY A 66 5.616 -1.439 -7.262 1.00 0.00 C ATOM 891 C GLY A 66 6.992 -2.057 -7.107 1.00 0.00 C ATOM 892 O GLY A 66 7.142 -3.277 -7.166 1.00 0.00 O ATOM 0 H GLY A 66 5.734 0.127 -5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.900 -1.997 -6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.296 -1.528 -8.300 1.00 0.00 H new ATOM 896 N ARG A 67 7.999 -1.213 -6.909 1.00 0.00 N ATOM 897 CA ARG A 67 9.370 -1.683 -6.748 1.00 0.00 C ATOM 898 C ARG A 67 10.022 -1.048 -5.524 1.00 0.00 C ATOM 899 O ARG A 67 10.395 0.126 -5.544 1.00 0.00 O ATOM 900 CB ARG A 67 10.191 -1.366 -7.999 1.00 0.00 C ATOM 901 CG ARG A 67 9.985 -2.360 -9.131 1.00 0.00 C ATOM 902 CD ARG A 67 10.425 -1.782 -10.467 1.00 0.00 C ATOM 903 NE ARG A 67 9.665 -0.587 -10.823 1.00 0.00 N ATOM 904 CZ ARG A 67 10.043 0.646 -10.504 1.00 0.00 C ATOM 905 NH1 ARG A 67 11.165 0.845 -9.826 1.00 0.00 N ATOM 906 NH2 ARG A 67 9.299 1.684 -10.864 1.00 0.00 N ATOM 0 H ARG A 67 7.891 -0.200 -6.856 1.00 0.00 H new ATOM 0 HA ARG A 67 9.343 -2.763 -6.604 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.930 -0.368 -8.351 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.248 -1.344 -7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.548 -3.270 -8.924 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.933 -2.640 -9.183 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.486 -1.537 -10.424 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.303 -2.535 -11.246 1.00 0.00 H new ATOM 0 HE ARG A 67 8.797 -0.705 -11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.741 0.050 -9.548 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.453 1.793 -9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.436 1.536 -11.386 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.591 2.630 -10.618 1.00 0.00 H new ATOM 920 N CYS A 68 10.158 -1.830 -4.458 1.00 0.00 N ATOM 921 CA CYS A 68 10.764 -1.345 -3.225 1.00 0.00 C ATOM 922 C CYS A 68 12.217 -1.798 -3.118 1.00 0.00 C ATOM 923 O CYS A 68 12.603 -2.821 -3.685 1.00 0.00 O ATOM 924 CB CYS A 68 9.973 -1.842 -2.013 1.00 0.00 C ATOM 925 SG CYS A 68 10.584 -1.213 -0.417 1.00 0.00 S ATOM 0 H CYS A 68 9.856 -2.804 -4.424 1.00 0.00 H new ATOM 0 HA CYS A 68 10.742 -0.255 -3.243 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.929 -1.551 -2.130 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.001 -2.932 -1.997 1.00 0.00 H new ATOM 0 HG CYS A 68 9.680 -0.450 0.124 1.00 0.00 H new ATOM 930 N SER A 69 13.019 -1.030 -2.387 1.00 0.00 N ATOM 931 CA SER A 69 14.430 -1.350 -2.208 1.00 0.00 C ATOM 932 C SER A 69 14.703 -1.826 -0.785 1.00 0.00 C ATOM 933 O SER A 69 15.555 -2.686 -0.559 1.00 0.00 O ATOM 934 CB SER A 69 15.296 -0.129 -2.525 1.00 0.00 C ATOM 935 OG SER A 69 15.067 0.914 -1.592 1.00 0.00 O ATOM 0 H SER A 69 12.715 -0.182 -1.909 1.00 0.00 H new ATOM 0 HA SER A 69 14.685 -2.156 -2.897 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.349 -0.411 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.077 0.225 -3.532 1.00 0.00 H new ATOM 0 HG SER A 69 15.633 1.682 -1.815 1.00 0.00 H new ATOM 941 N ARG A 70 13.974 -1.261 0.172 1.00 0.00 N ATOM 942 CA ARG A 70 14.138 -1.626 1.574 1.00 0.00 C ATOM 943 C ARG A 70 14.022 -3.136 1.759 1.00 0.00 C ATOM 944 O ARG A 70 12.921 -3.681 1.817 1.00 0.00 O ATOM 945 CB ARG A 70 13.091 -0.915 2.433 1.00 0.00 C ATOM 946 CG ARG A 70 13.444 0.529 2.751 1.00 0.00 C ATOM 947 CD ARG A 70 14.439 0.621 3.898 1.00 0.00 C ATOM 948 NE ARG A 70 15.177 1.881 3.883 1.00 0.00 N ATOM 949 CZ ARG A 70 16.094 2.185 2.972 1.00 0.00 C ATOM 950 NH1 ARG A 70 16.384 1.325 2.005 1.00 0.00 N ATOM 951 NH2 ARG A 70 16.722 3.352 3.025 1.00 0.00 N ATOM 0 H ARG A 70 13.264 -0.549 0.002 1.00 0.00 H new ATOM 0 HA ARG A 70 15.133 -1.313 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.131 -0.941 1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.965 -1.464 3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.864 1.005 1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.538 1.078 3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.910 0.522 4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.141 -0.211 3.837 1.00 0.00 H new ATOM 0 HE ARG A 70 14.977 2.565 4.613 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.902 0.427 1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.089 1.561 1.307 1.00 0.00 H new ATOM 0 HH21 ARG A 70 16.501 4.017 3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.426 3.584 2.325 1.00 0.00 H new ATOM 965 N GLU A 71 15.167 -3.805 1.851 1.00 0.00 N ATOM 966 CA GLU A 71 15.194 -5.253 2.029 1.00 0.00 C ATOM 967 C GLU A 71 14.225 -5.684 3.127 1.00 0.00 C ATOM 968 O GLU A 71 13.242 -6.376 2.865 1.00 0.00 O ATOM 969 CB GLU A 71 16.610 -5.721 2.370 1.00 0.00 C ATOM 970 CG GLU A 71 16.863 -7.183 2.041 1.00 0.00 C ATOM 971 CD GLU A 71 18.339 -7.508 1.928 1.00 0.00 C ATOM 972 OE1 GLU A 71 19.069 -6.736 1.272 1.00 0.00 O ATOM 973 OE2 GLU A 71 18.765 -8.536 2.496 1.00 0.00 O ATOM 0 H GLU A 71 16.088 -3.368 1.805 1.00 0.00 H new ATOM 0 HA GLU A 71 14.883 -5.715 1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.328 -5.106 1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 71 16.791 -5.560 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.415 -7.808 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 71 16.367 -7.432 1.103 1.00 0.00 H new ATOM 980 N ASN A 72 14.512 -5.269 4.357 1.00 0.00 N ATOM 981 CA ASN A 72 13.668 -5.613 5.495 1.00 0.00 C ATOM 982 C ASN A 72 12.635 -4.521 5.756 1.00 0.00 C ATOM 983 O ASN A 72 12.361 -4.172 6.905 1.00 0.00 O ATOM 984 CB ASN A 72 14.524 -5.830 6.744 1.00 0.00 C ATOM 985 CG ASN A 72 15.154 -4.544 7.244 1.00 0.00 C ATOM 986 OD1 ASN A 72 15.786 -3.813 6.482 1.00 0.00 O ATOM 987 ND2 ASN A 72 14.984 -4.264 8.531 1.00 0.00 N ATOM 0 H ASN A 72 15.322 -4.695 4.591 1.00 0.00 H new ATOM 0 HA ASN A 72 13.141 -6.538 5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 72 13.908 -6.260 7.533 1.00 0.00 H new ATOM 0 HB3 ASN A 72 15.309 -6.553 6.522 1.00 0.00 H new ATOM 0 HD21 ASN A 72 15.385 -3.413 8.925 1.00 0.00 H new ATOM 0 HD22 ASN A 72 14.452 -4.900 9.125 1.00 0.00 H new ATOM 994 N CYS A 73 12.065 -3.984 4.683 1.00 0.00 N ATOM 995 CA CYS A 73 11.062 -2.932 4.794 1.00 0.00 C ATOM 996 C CYS A 73 10.169 -3.158 6.010 1.00 0.00 C ATOM 997 O CYS A 73 9.513 -4.193 6.130 1.00 0.00 O ATOM 998 CB CYS A 73 10.210 -2.874 3.525 1.00 0.00 C ATOM 999 SG CYS A 73 9.249 -1.337 3.343 1.00 0.00 S ATOM 0 H CYS A 73 12.281 -4.261 3.725 1.00 0.00 H new ATOM 0 HA CYS A 73 11.581 -1.982 4.918 1.00 0.00 H new ATOM 0 HB2 CYS A 73 10.861 -2.988 2.658 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.524 -3.721 3.522 1.00 0.00 H new ATOM 0 HG CYS A 73 8.023 -1.544 3.722 1.00 0.00 H new ATOM 1004 N LYS A 74 10.148 -2.182 6.912 1.00 0.00 N ATOM 1005 CA LYS A 74 9.335 -2.271 8.119 1.00 0.00 C ATOM 1006 C LYS A 74 7.902 -1.826 7.844 1.00 0.00 C ATOM 1007 O LYS A 74 7.091 -1.709 8.763 1.00 0.00 O ATOM 1008 CB LYS A 74 9.942 -1.414 9.232 1.00 0.00 C ATOM 1009 CG LYS A 74 9.980 0.069 8.905 1.00 0.00 C ATOM 1010 CD LYS A 74 11.113 0.772 9.634 1.00 0.00 C ATOM 1011 CE LYS A 74 11.256 2.217 9.181 1.00 0.00 C ATOM 1012 NZ LYS A 74 11.934 2.319 7.859 1.00 0.00 N ATOM 0 H LYS A 74 10.686 -1.319 6.829 1.00 0.00 H new ATOM 0 HA LYS A 74 9.318 -3.313 8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.368 -1.561 10.147 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.956 -1.759 9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.100 0.202 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.030 0.527 9.179 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.929 0.743 10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.047 0.240 9.456 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.270 2.678 9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.824 2.776 9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.012 3.319 7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.885 1.902 7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.379 1.807 7.144 1.00 0.00 H new ATOM 1026 N TYR A 75 7.597 -1.581 6.574 1.00 0.00 N ATOM 1027 CA TYR A 75 6.262 -1.149 6.179 1.00 0.00 C ATOM 1028 C TYR A 75 5.606 -2.176 5.262 1.00 0.00 C ATOM 1029 O TYR A 75 6.261 -2.770 4.405 1.00 0.00 O ATOM 1030 CB TYR A 75 6.330 0.208 5.477 1.00 0.00 C ATOM 1031 CG TYR A 75 6.237 1.385 6.422 1.00 0.00 C ATOM 1032 CD1 TYR A 75 6.877 1.362 7.655 1.00 0.00 C ATOM 1033 CD2 TYR A 75 5.510 2.519 6.082 1.00 0.00 C ATOM 1034 CE1 TYR A 75 6.795 2.434 8.522 1.00 0.00 C ATOM 1035 CE2 TYR A 75 5.423 3.596 6.943 1.00 0.00 C ATOM 1036 CZ TYR A 75 6.067 3.549 8.161 1.00 0.00 C ATOM 1037 OH TYR A 75 5.982 4.619 9.022 1.00 0.00 O ATOM 0 H TYR A 75 8.256 -1.674 5.801 1.00 0.00 H new ATOM 0 HA TYR A 75 5.657 -1.055 7.080 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.265 0.273 4.920 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.521 0.272 4.750 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.448 0.491 7.940 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.004 2.559 5.129 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.298 2.400 9.477 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.854 4.470 6.663 1.00 0.00 H new ATOM 0 HH TYR A 75 5.433 5.323 8.616 1.00 0.00 H new ATOM 1047 N LEU A 76 4.306 -2.381 5.449 1.00 0.00 N ATOM 1048 CA LEU A 76 3.558 -3.337 4.639 1.00 0.00 C ATOM 1049 C LEU A 76 3.329 -2.795 3.232 1.00 0.00 C ATOM 1050 O LEU A 76 3.179 -1.588 3.036 1.00 0.00 O ATOM 1051 CB LEU A 76 2.216 -3.655 5.300 1.00 0.00 C ATOM 1052 CG LEU A 76 1.144 -4.251 4.388 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.496 -5.683 4.015 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.220 -4.194 5.061 1.00 0.00 C ATOM 0 H LEU A 76 3.749 -1.898 6.154 1.00 0.00 H new ATOM 0 HA LEU A 76 4.145 -4.252 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.394 -4.350 6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.823 -2.738 5.738 1.00 0.00 H new ATOM 0 HG LEU A 76 1.102 -3.659 3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.721 -6.091 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.453 -5.698 3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.567 -6.288 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.971 -4.622 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.191 -4.762 5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.476 -3.157 5.277 1.00 0.00 H new ATOM 1066 N HIS A 77 3.300 -3.695 2.254 1.00 0.00 N ATOM 1067 CA HIS A 77 3.085 -3.308 0.864 1.00 0.00 C ATOM 1068 C HIS A 77 1.676 -3.676 0.409 1.00 0.00 C ATOM 1069 O HIS A 77 1.385 -4.826 0.078 1.00 0.00 O ATOM 1070 CB HIS A 77 4.118 -3.981 -0.040 1.00 0.00 C ATOM 1071 CG HIS A 77 5.534 -3.639 0.310 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.603 -3.926 -0.512 1.00 0.00 N ATOM 1073 CD2 HIS A 77 6.053 -3.030 1.401 1.00 0.00 C ATOM 1074 CE1 HIS A 77 7.719 -3.509 0.059 1.00 0.00 C ATOM 1075 NE2 HIS A 77 7.413 -2.961 1.221 1.00 0.00 N ATOM 0 H HIS A 77 3.423 -4.697 2.398 1.00 0.00 H new ATOM 0 HA HIS A 77 3.200 -2.226 0.792 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.989 -5.062 0.017 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.928 -3.691 -1.073 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.501 -2.666 2.255 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.713 -3.601 -0.354 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.078 -2.553 1.878 1.00 0.00 H new ATOM 1083 N PRO A 78 0.779 -2.679 0.392 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.614 -2.874 -0.020 1.00 0.00 C ATOM 1085 C PRO A 78 -0.743 -3.147 -1.515 1.00 0.00 C ATOM 1086 O PRO A 78 0.049 -2.671 -2.328 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.280 -1.544 0.340 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.173 -0.548 0.318 1.00 0.00 C ATOM 1089 CD PRO A 78 1.056 -1.284 0.774 1.00 0.00 C ATOM 0 HA PRO A 78 -1.066 -3.738 0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.060 -1.285 -0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.751 -1.590 1.322 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.035 -0.141 -0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.391 0.293 0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.955 -0.905 0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.209 -1.184 1.849 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.766 -3.931 -1.888 1.00 0.00 N ATOM 1098 CA PRO A 79 -2.023 -4.284 -3.287 1.00 0.00 C ATOM 1099 C PRO A 79 -2.510 -3.092 -4.105 1.00 0.00 C ATOM 1100 O PRO A 79 -2.824 -2.036 -3.557 1.00 0.00 O ATOM 1101 CB PRO A 79 -3.119 -5.348 -3.189 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.808 -5.065 -1.899 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.749 -4.533 -0.972 1.00 0.00 C ATOM 0 HA PRO A 79 -1.121 -4.627 -3.793 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.810 -5.283 -4.029 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.697 -6.353 -3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.608 -4.338 -2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.264 -5.968 -1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.155 -3.797 -0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.305 -5.327 -0.371 1.00 0.00 H new ATOM 1111 N THR A 80 -2.571 -3.269 -5.422 1.00 0.00 N ATOM 1112 CA THR A 80 -3.019 -2.209 -6.315 1.00 0.00 C ATOM 1113 C THR A 80 -4.485 -1.869 -6.074 1.00 0.00 C ATOM 1114 O THR A 80 -4.856 -0.698 -5.991 1.00 0.00 O ATOM 1115 CB THR A 80 -2.831 -2.603 -7.793 1.00 0.00 C ATOM 1116 OG1 THR A 80 -1.489 -3.052 -8.013 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.134 -1.427 -8.709 1.00 0.00 C ATOM 0 H THR A 80 -2.315 -4.137 -5.893 1.00 0.00 H new ATOM 0 HA THR A 80 -2.406 -1.334 -6.099 1.00 0.00 H new ATOM 0 HB THR A 80 -3.526 -3.410 -8.022 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.378 -3.302 -8.954 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.994 -1.729 -9.747 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.165 -1.106 -8.560 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.460 -0.602 -8.477 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.316 -2.901 -5.961 1.00 0.00 N ATOM 1126 CA HIS A 81 -6.743 -2.711 -5.728 1.00 0.00 C ATOM 1127 C HIS A 81 -6.983 -1.895 -4.461 1.00 0.00 C ATOM 1128 O HIS A 81 -8.046 -1.299 -4.286 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.448 -4.064 -5.618 1.00 0.00 C ATOM 1130 CG HIS A 81 -7.017 -4.869 -4.431 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -7.478 -4.887 -3.159 1.00 0.00 N flip ATOM 1132 CD2 HIS A 81 -5.991 -5.790 -4.479 1.00 0.00 C flip ATOM 1133 CE1 HIS A 81 -6.731 -5.809 -2.468 1.00 0.00 C flip ATOM 1134 NE2 HIS A 81 -5.841 -6.340 -3.287 1.00 0.00 N flip ATOM 0 H HIS A 81 -5.026 -3.877 -6.027 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.154 -2.163 -6.576 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.524 -3.900 -5.564 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.258 -4.638 -6.525 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -8.239 -4.321 -2.783 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -5.403 -6.025 -5.354 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.852 -6.059 -1.424 1.00 0.00 H new ATOM 1142 N LEU A 82 -5.988 -1.874 -3.580 1.00 0.00 N ATOM 1143 CA LEU A 82 -6.091 -1.131 -2.329 1.00 0.00 C ATOM 1144 C LEU A 82 -5.449 0.246 -2.458 1.00 0.00 C ATOM 1145 O LEU A 82 -6.037 1.256 -2.070 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.425 -1.912 -1.194 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.242 -3.058 -0.598 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.479 -3.725 0.536 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.592 -2.553 -0.110 1.00 0.00 C ATOM 0 H LEU A 82 -5.102 -2.362 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.148 -0.998 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.483 -2.318 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.180 -1.213 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.414 -3.800 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.077 -4.538 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.538 -4.122 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.275 -2.993 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.160 -3.382 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.441 -1.791 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.144 -2.123 -0.946 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.241 0.281 -3.009 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.519 1.534 -3.194 1.00 0.00 C ATOM 1163 C LYS A 83 -4.478 2.667 -3.545 1.00 0.00 C ATOM 1164 O LYS A 83 -4.310 3.801 -3.093 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.467 1.383 -4.296 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.232 2.240 -4.079 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.209 2.033 -5.183 1.00 0.00 C ATOM 1168 CE LYS A 83 -0.757 2.455 -6.537 1.00 0.00 C ATOM 1169 NZ LYS A 83 0.320 2.937 -7.446 1.00 0.00 N ATOM 0 H LYS A 83 -3.740 -0.545 -3.336 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.021 1.779 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.167 0.337 -4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.916 1.644 -5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.519 3.291 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.784 1.996 -3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.691 2.606 -4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.082 0.983 -5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.272 1.613 -6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.496 3.244 -6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.115 2.633 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.365 3.975 -7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.233 2.540 -7.144 1.00 0.00 H new ATOM 1183 N THR A 84 -5.487 2.355 -4.353 1.00 0.00 N ATOM 1184 CA THR A 84 -6.473 3.346 -4.763 1.00 0.00 C ATOM 1185 C THR A 84 -7.005 4.122 -3.564 1.00 0.00 C ATOM 1186 O THR A 84 -7.062 5.351 -3.585 1.00 0.00 O ATOM 1187 CB THR A 84 -7.656 2.690 -5.501 1.00 0.00 C ATOM 1188 OG1 THR A 84 -7.198 2.071 -6.708 1.00 0.00 O ATOM 1189 CG2 THR A 84 -8.728 3.719 -5.827 1.00 0.00 C ATOM 0 H THR A 84 -5.642 1.423 -4.736 1.00 0.00 H new ATOM 0 HA THR A 84 -5.967 4.033 -5.441 1.00 0.00 H new ATOM 0 HB THR A 84 -8.089 1.933 -4.847 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.955 1.655 -7.170 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.553 3.233 -6.348 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.095 4.167 -4.904 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.305 4.496 -6.464 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.391 3.397 -2.519 1.00 0.00 N ATOM 1198 CA GLN A 85 -7.918 4.019 -1.310 1.00 0.00 C ATOM 1199 C GLN A 85 -7.017 5.161 -0.849 1.00 0.00 C ATOM 1200 O GLN A 85 -7.495 6.247 -0.519 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.056 2.981 -0.195 1.00 0.00 C ATOM 1202 CG GLN A 85 -9.405 2.279 -0.183 1.00 0.00 C ATOM 1203 CD GLN A 85 -9.666 1.541 1.116 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -9.703 2.144 2.189 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -9.850 0.229 1.026 1.00 0.00 N ATOM 0 H GLN A 85 -7.349 2.378 -2.485 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.902 4.427 -1.541 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.268 2.235 -0.304 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.901 3.470 0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.194 3.013 -0.344 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.451 1.574 -1.013 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.811 -0.230 0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.030 -0.320 1.867 1.00 0.00 H new ATOM 1214 N LEU A 86 -5.714 4.908 -0.828 1.00 0.00 N ATOM 1215 CA LEU A 86 -4.745 5.914 -0.407 1.00 0.00 C ATOM 1216 C LEU A 86 -4.883 7.185 -1.240 1.00 0.00 C ATOM 1217 O LEU A 86 -5.012 8.282 -0.698 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.323 5.364 -0.527 1.00 0.00 C ATOM 1219 CG LEU A 86 -2.996 4.153 0.348 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -1.770 3.427 -0.184 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -2.780 4.581 1.792 1.00 0.00 C ATOM 0 H LEU A 86 -5.303 4.014 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.945 6.161 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.146 5.093 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.624 6.163 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.842 3.467 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.552 2.568 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.962 3.087 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.917 4.105 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.548 3.706 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.951 5.287 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.685 5.056 2.170 1.00 0.00 H new