USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 293 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 Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= 0.813 (180deg=0.131!) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.895 -21.304 -6.049 1.00 1.86 N ATOM 175 CA VAL A 14 -0.215 -20.368 -5.678 1.00 1.61 C ATOM 176 C VAL A 14 0.076 -19.786 -4.289 1.00 1.49 C ATOM 177 O VAL A 14 -0.078 -18.602 -4.058 1.00 1.42 O ATOM 178 CB VAL A 14 -1.489 -21.231 -5.665 1.00 1.49 C ATOM 179 CG1 VAL A 14 -2.665 -20.421 -5.110 1.00 1.46 C ATOM 180 CG2 VAL A 14 -1.823 -21.678 -7.093 1.00 1.75 C ATOM 0 HA VAL A 14 -0.321 -19.532 -6.369 1.00 1.61 H new ATOM 0 HB VAL A 14 -1.317 -22.103 -5.034 1.00 1.49 H new ATOM 0 HG11 VAL A 14 -3.562 -21.040 -5.104 1.00 1.46 H new ATOM 0 HG12 VAL A 14 -2.439 -20.101 -4.093 1.00 1.46 H new ATOM 0 HG13 VAL A 14 -2.832 -19.545 -5.737 1.00 1.46 H new ATOM 0 HG21 VAL A 14 -2.726 -22.289 -7.081 1.00 1.75 H new ATOM 0 HG22 VAL A 14 -1.986 -20.801 -7.720 1.00 1.75 H new ATOM 0 HG23 VAL A 14 -0.995 -22.262 -7.495 1.00 1.75 H new ATOM 190 N VAL A 15 0.532 -20.611 -3.375 1.00 1.60 N ATOM 191 CA VAL A 15 0.871 -20.112 -2.004 1.00 1.69 C ATOM 192 C VAL A 15 2.042 -19.130 -2.100 1.00 1.84 C ATOM 193 O VAL A 15 2.018 -18.060 -1.519 1.00 1.77 O ATOM 194 CB VAL A 15 1.251 -21.360 -1.190 1.00 2.01 C ATOM 195 CG1 VAL A 15 1.906 -20.943 0.133 1.00 2.32 C ATOM 196 CG2 VAL A 15 -0.010 -22.173 -0.884 1.00 1.96 C ATOM 0 H VAL A 15 0.684 -21.609 -3.520 1.00 1.60 H new ATOM 0 HA VAL A 15 0.044 -19.582 -1.532 1.00 1.69 H new ATOM 0 HB VAL A 15 1.951 -21.961 -1.770 1.00 2.01 H new ATOM 0 HG11 VAL A 15 2.172 -21.833 0.704 1.00 2.32 H new ATOM 0 HG12 VAL A 15 2.805 -20.362 -0.073 1.00 2.32 H new ATOM 0 HG13 VAL A 15 1.207 -20.338 0.710 1.00 2.32 H new ATOM 0 HG21 VAL A 15 0.259 -23.058 -0.307 1.00 1.96 H new ATOM 0 HG22 VAL A 15 -0.706 -21.562 -0.309 1.00 1.96 H new ATOM 0 HG23 VAL A 15 -0.482 -22.478 -1.818 1.00 1.96 H new ATOM 206 N THR A 16 3.052 -19.479 -2.854 1.00 2.12 N ATOM 207 CA THR A 16 4.226 -18.560 -3.023 1.00 2.38 C ATOM 208 C THR A 16 3.744 -17.224 -3.587 1.00 2.18 C ATOM 209 O THR A 16 4.089 -16.169 -3.088 1.00 2.20 O ATOM 210 CB THR A 16 5.176 -19.264 -4.004 1.00 2.73 C ATOM 211 OG1 THR A 16 5.689 -20.439 -3.397 1.00 2.97 O ATOM 212 CG2 THR A 16 6.343 -18.339 -4.353 1.00 3.03 C ATOM 0 H THR A 16 3.118 -20.361 -3.362 1.00 2.12 H new ATOM 0 HA THR A 16 4.731 -18.353 -2.080 1.00 2.38 H new ATOM 0 HB THR A 16 4.628 -19.518 -4.911 1.00 2.73 H new ATOM 0 HG1 THR A 16 6.294 -20.892 -4.021 1.00 2.97 H new ATOM 0 HG21 THR A 16 7.013 -18.845 -5.049 1.00 3.03 H new ATOM 0 HG22 THR A 16 5.960 -17.429 -4.814 1.00 3.03 H new ATOM 0 HG23 THR A 16 6.889 -18.084 -3.445 1.00 3.03 H new ATOM 220 N VAL A 17 2.922 -17.261 -4.603 1.00 2.05 N ATOM 221 CA VAL A 17 2.392 -15.979 -5.174 1.00 2.00 C ATOM 222 C VAL A 17 1.504 -15.298 -4.140 1.00 1.66 C ATOM 223 O VAL A 17 1.534 -14.102 -4.003 1.00 1.67 O ATOM 224 CB VAL A 17 1.554 -16.323 -6.405 1.00 2.09 C ATOM 225 CG1 VAL A 17 1.341 -15.055 -7.235 1.00 2.34 C ATOM 226 CG2 VAL A 17 2.260 -17.369 -7.274 1.00 2.39 C ATOM 0 H VAL A 17 2.595 -18.112 -5.061 1.00 2.05 H new ATOM 0 HA VAL A 17 3.212 -15.312 -5.442 1.00 2.00 H new ATOM 0 HB VAL A 17 0.599 -16.730 -6.071 1.00 2.09 H new ATOM 0 HG11 VAL A 17 0.744 -15.292 -8.115 1.00 2.34 H new ATOM 0 HG12 VAL A 17 0.821 -14.310 -6.634 1.00 2.34 H new ATOM 0 HG13 VAL A 17 2.307 -14.659 -7.548 1.00 2.34 H new ATOM 0 HG21 VAL A 17 1.643 -17.596 -8.143 1.00 2.39 H new ATOM 0 HG22 VAL A 17 3.222 -16.978 -7.604 1.00 2.39 H new ATOM 0 HG23 VAL A 17 2.418 -18.278 -6.693 1.00 2.39 H new ATOM 236 N ILE A 18 0.716 -16.044 -3.401 1.00 1.43 N ATOM 237 CA ILE A 18 -0.155 -15.402 -2.365 1.00 1.26 C ATOM 238 C ILE A 18 0.727 -14.718 -1.327 1.00 1.33 C ATOM 239 O ILE A 18 0.457 -13.613 -0.913 1.00 1.29 O ATOM 240 CB ILE A 18 -0.983 -16.540 -1.745 1.00 1.26 C ATOM 241 CG1 ILE A 18 -2.139 -16.920 -2.688 1.00 1.32 C ATOM 242 CG2 ILE A 18 -1.552 -16.099 -0.390 1.00 1.41 C ATOM 243 CD1 ILE A 18 -3.163 -15.783 -2.763 1.00 1.55 C ATOM 0 H ILE A 18 0.639 -17.059 -3.469 1.00 1.43 H new ATOM 0 HA ILE A 18 -0.814 -14.639 -2.781 1.00 1.26 H new ATOM 0 HB ILE A 18 -0.336 -17.405 -1.598 1.00 1.26 H new ATOM 0 HG12 ILE A 18 -1.750 -17.133 -3.683 1.00 1.32 H new ATOM 0 HG13 ILE A 18 -2.622 -17.830 -2.333 1.00 1.32 H new ATOM 0 HG21 ILE A 18 -2.137 -16.912 0.041 1.00 1.41 H new ATOM 0 HG22 ILE A 18 -0.733 -15.845 0.283 1.00 1.41 H new ATOM 0 HG23 ILE A 18 -2.191 -15.227 -0.530 1.00 1.41 H new ATOM 0 HD11 ILE A 18 -3.974 -16.067 -3.434 1.00 1.55 H new ATOM 0 HD12 ILE A 18 -3.565 -15.590 -1.769 1.00 1.55 H new ATOM 0 HD13 ILE A 18 -2.679 -14.882 -3.140 1.00 1.55 H new ATOM 255 N VAL A 19 1.796 -15.345 -0.933 1.00 1.56 N ATOM 256 CA VAL A 19 2.714 -14.693 0.049 1.00 1.78 C ATOM 257 C VAL A 19 3.349 -13.466 -0.614 1.00 1.79 C ATOM 258 O VAL A 19 3.463 -12.417 -0.011 1.00 1.77 O ATOM 259 CB VAL A 19 3.769 -15.751 0.398 1.00 2.16 C ATOM 260 CG1 VAL A 19 4.896 -15.107 1.209 1.00 2.45 C ATOM 261 CG2 VAL A 19 3.125 -16.857 1.237 1.00 2.27 C ATOM 0 H VAL A 19 2.077 -16.275 -1.243 1.00 1.56 H new ATOM 0 HA VAL A 19 2.204 -14.353 0.951 1.00 1.78 H new ATOM 0 HB VAL A 19 4.172 -16.171 -0.524 1.00 2.16 H new ATOM 0 HG11 VAL A 19 5.644 -15.861 1.455 1.00 2.45 H new ATOM 0 HG12 VAL A 19 5.360 -14.314 0.622 1.00 2.45 H new ATOM 0 HG13 VAL A 19 4.488 -14.686 2.128 1.00 2.45 H new ATOM 0 HG21 VAL A 19 3.874 -17.609 1.485 1.00 2.27 H new ATOM 0 HG22 VAL A 19 2.722 -16.429 2.155 1.00 2.27 H new ATOM 0 HG23 VAL A 19 2.319 -17.322 0.669 1.00 2.27 H new ATOM 271 N ILE A 20 3.728 -13.583 -1.865 1.00 1.92 N ATOM 272 CA ILE A 20 4.319 -12.412 -2.582 1.00 2.08 C ATOM 273 C ILE A 20 3.252 -11.326 -2.730 1.00 1.84 C ATOM 274 O ILE A 20 3.472 -10.179 -2.381 1.00 1.86 O ATOM 275 CB ILE A 20 4.766 -12.949 -3.952 1.00 2.36 C ATOM 276 CG1 ILE A 20 5.944 -13.909 -3.763 1.00 2.67 C ATOM 277 CG2 ILE A 20 5.206 -11.790 -4.853 1.00 2.64 C ATOM 278 CD1 ILE A 20 6.214 -14.657 -5.071 1.00 2.94 C ATOM 0 H ILE A 20 3.653 -14.437 -2.418 1.00 1.92 H new ATOM 0 HA ILE A 20 5.160 -11.969 -2.049 1.00 2.08 H new ATOM 0 HB ILE A 20 3.930 -13.471 -4.417 1.00 2.36 H new ATOM 0 HG12 ILE A 20 6.832 -13.355 -3.460 1.00 2.67 H new ATOM 0 HG13 ILE A 20 5.723 -14.619 -2.966 1.00 2.67 H new ATOM 0 HG21 ILE A 20 5.521 -12.181 -5.821 1.00 2.64 H new ATOM 0 HG22 ILE A 20 4.373 -11.102 -4.993 1.00 2.64 H new ATOM 0 HG23 ILE A 20 6.038 -11.262 -4.387 1.00 2.64 H new ATOM 0 HD11 ILE A 20 7.053 -15.339 -4.933 1.00 2.94 H new ATOM 0 HD12 ILE A 20 5.328 -15.224 -5.355 1.00 2.94 H new ATOM 0 HD13 ILE A 20 6.454 -13.941 -5.857 1.00 2.94 H new ATOM 290 N LEU A 21 2.092 -11.685 -3.215 1.00 1.69 N ATOM 291 CA LEU A 21 0.998 -10.675 -3.357 1.00 1.65 C ATOM 292 C LEU A 21 0.633 -10.118 -1.968 1.00 1.42 C ATOM 293 O LEU A 21 0.472 -8.923 -1.803 1.00 1.47 O ATOM 294 CB LEU A 21 -0.171 -11.422 -4.044 1.00 1.71 C ATOM 295 CG LEU A 21 -1.378 -11.591 -3.110 1.00 1.57 C ATOM 296 CD1 LEU A 21 -2.164 -10.280 -3.026 1.00 1.76 C ATOM 297 CD2 LEU A 21 -2.292 -12.680 -3.669 1.00 1.72 C ATOM 0 H LEU A 21 1.854 -12.629 -3.518 1.00 1.69 H new ATOM 0 HA LEU A 21 1.281 -9.810 -3.957 1.00 1.65 H new ATOM 0 HB2 LEU A 21 -0.477 -10.874 -4.935 1.00 1.71 H new ATOM 0 HB3 LEU A 21 0.171 -12.403 -4.375 1.00 1.71 H new ATOM 0 HG LEU A 21 -1.026 -11.865 -2.116 1.00 1.57 H new ATOM 0 HD11 LEU A 21 -3.018 -10.410 -2.361 1.00 1.76 H new ATOM 0 HD12 LEU A 21 -1.518 -9.493 -2.637 1.00 1.76 H new ATOM 0 HD13 LEU A 21 -2.516 -10.003 -4.020 1.00 1.76 H new ATOM 0 HD21 LEU A 21 -3.152 -12.806 -3.011 1.00 1.72 H new ATOM 0 HD22 LEU A 21 -2.635 -12.393 -4.663 1.00 1.72 H new ATOM 0 HD23 LEU A 21 -1.742 -13.619 -3.732 1.00 1.72 H new ATOM 309 N ILE A 22 0.535 -10.961 -0.960 1.00 1.29 N ATOM 310 CA ILE A 22 0.219 -10.441 0.410 1.00 1.31 C ATOM 311 C ILE A 22 1.348 -9.510 0.866 1.00 1.36 C ATOM 312 O ILE A 22 1.115 -8.487 1.486 1.00 1.39 O ATOM 313 CB ILE A 22 0.118 -11.676 1.324 1.00 1.45 C ATOM 314 CG1 ILE A 22 -1.238 -12.372 1.121 1.00 1.53 C ATOM 315 CG2 ILE A 22 0.254 -11.258 2.796 1.00 1.74 C ATOM 316 CD1 ILE A 22 -2.383 -11.465 1.591 1.00 1.79 C ATOM 0 H ILE A 22 0.659 -11.971 -1.027 1.00 1.29 H new ATOM 0 HA ILE A 22 -0.710 -9.871 0.434 1.00 1.31 H new ATOM 0 HB ILE A 22 0.923 -12.364 1.067 1.00 1.45 H new ATOM 0 HG12 ILE A 22 -1.372 -12.621 0.068 1.00 1.53 H new ATOM 0 HG13 ILE A 22 -1.258 -13.310 1.675 1.00 1.53 H new ATOM 0 HG21 ILE A 22 0.181 -12.140 3.433 1.00 1.74 H new ATOM 0 HG22 ILE A 22 1.220 -10.778 2.950 1.00 1.74 H new ATOM 0 HG23 ILE A 22 -0.543 -10.559 3.051 1.00 1.74 H new ATOM 0 HD11 ILE A 22 -3.335 -11.973 1.440 1.00 1.79 H new ATOM 0 HD12 ILE A 22 -2.257 -11.238 2.650 1.00 1.79 H new ATOM 0 HD13 ILE A 22 -2.372 -10.538 1.018 1.00 1.79 H new ATOM 328 N ALA A 23 2.571 -9.855 0.551 1.00 1.50 N ATOM 329 CA ALA A 23 3.724 -8.994 0.954 1.00 1.71 C ATOM 330 C ALA A 23 3.699 -7.662 0.193 1.00 1.67 C ATOM 331 O ALA A 23 3.780 -6.609 0.794 1.00 1.66 O ATOM 332 CB ALA A 23 4.981 -9.798 0.603 1.00 2.05 C ATOM 0 H ALA A 23 2.821 -10.697 0.032 1.00 1.50 H new ATOM 0 HA ALA A 23 3.690 -8.746 2.015 1.00 1.71 H new ATOM 0 HB1 ALA A 23 5.867 -9.224 0.873 1.00 2.05 H new ATOM 0 HB2 ALA A 23 4.977 -10.739 1.153 1.00 2.05 H new ATOM 0 HB3 ALA A 23 4.994 -10.004 -0.467 1.00 2.05 H new ATOM 338 N ILE A 24 3.575 -7.686 -1.119 1.00 1.75 N ATOM 339 CA ILE A 24 3.534 -6.392 -1.873 1.00 1.90 C ATOM 340 C ILE A 24 2.304 -5.589 -1.434 1.00 1.69 C ATOM 341 O ILE A 24 2.362 -4.381 -1.290 1.00 1.75 O ATOM 342 CB ILE A 24 3.476 -6.760 -3.366 1.00 2.19 C ATOM 343 CG1 ILE A 24 2.179 -7.507 -3.691 1.00 2.07 C ATOM 344 CG2 ILE A 24 4.667 -7.648 -3.728 1.00 2.46 C ATOM 345 CD1 ILE A 24 1.945 -7.502 -5.204 1.00 2.36 C ATOM 0 H ILE A 24 3.502 -8.530 -1.688 1.00 1.75 H new ATOM 0 HA ILE A 24 4.407 -5.770 -1.679 1.00 1.90 H new ATOM 0 HB ILE A 24 3.510 -5.838 -3.946 1.00 2.19 H new ATOM 0 HG12 ILE A 24 2.237 -8.532 -3.326 1.00 2.07 H new ATOM 0 HG13 ILE A 24 1.339 -7.035 -3.182 1.00 2.07 H new ATOM 0 HG21 ILE A 24 4.621 -7.905 -4.786 1.00 2.46 H new ATOM 0 HG22 ILE A 24 5.595 -7.113 -3.525 1.00 2.46 H new ATOM 0 HG23 ILE A 24 4.636 -8.560 -3.131 1.00 2.46 H new ATOM 0 HD11 ILE A 24 1.021 -8.034 -5.431 1.00 2.36 H new ATOM 0 HD12 ILE A 24 1.867 -6.474 -5.557 1.00 2.36 H new ATOM 0 HD13 ILE A 24 2.780 -7.994 -5.703 1.00 2.36 H new ATOM 357 N ALA A 25 1.202 -6.257 -1.180 1.00 1.54 N ATOM 358 CA ALA A 25 -0.019 -5.536 -0.708 1.00 1.56 C ATOM 359 C ALA A 25 0.258 -4.945 0.674 1.00 1.43 C ATOM 360 O ALA A 25 -0.004 -3.782 0.929 1.00 1.53 O ATOM 361 CB ALA A 25 -1.124 -6.597 -0.640 1.00 1.60 C ATOM 0 H ALA A 25 1.098 -7.267 -1.280 1.00 1.54 H new ATOM 0 HA ALA A 25 -0.308 -4.717 -1.366 1.00 1.56 H new ATOM 0 HB1 ALA A 25 -2.051 -6.136 -0.300 1.00 1.60 H new ATOM 0 HB2 ALA A 25 -1.275 -7.029 -1.629 1.00 1.60 H new ATOM 0 HB3 ALA A 25 -0.832 -7.382 0.057 1.00 1.60 H new ATOM 367 N ALA A 26 0.819 -5.732 1.556 1.00 1.36 N ATOM 368 CA ALA A 26 1.152 -5.214 2.914 1.00 1.47 C ATOM 369 C ALA A 26 2.152 -4.061 2.777 1.00 1.44 C ATOM 370 O ALA A 26 1.999 -3.025 3.393 1.00 1.49 O ATOM 371 CB ALA A 26 1.766 -6.402 3.665 1.00 1.63 C ATOM 0 H ALA A 26 1.060 -6.710 1.393 1.00 1.36 H new ATOM 0 HA ALA A 26 0.284 -4.827 3.448 1.00 1.47 H new ATOM 0 HB1 ALA A 26 2.036 -6.094 4.675 1.00 1.63 H new ATOM 0 HB2 ALA A 26 1.041 -7.215 3.715 1.00 1.63 H new ATOM 0 HB3 ALA A 26 2.658 -6.743 3.139 1.00 1.63 H new ATOM 377 N LEU A 27 3.153 -4.218 1.942 1.00 1.49 N ATOM 378 CA LEU A 27 4.132 -3.112 1.735 1.00 1.62 C ATOM 379 C LEU A 27 3.391 -1.889 1.177 1.00 1.56 C ATOM 380 O LEU A 27 3.568 -0.780 1.646 1.00 1.58 O ATOM 381 CB LEU A 27 5.144 -3.654 0.718 1.00 1.87 C ATOM 382 CG LEU A 27 6.037 -2.517 0.220 1.00 2.13 C ATOM 383 CD1 LEU A 27 7.475 -3.016 0.080 1.00 2.52 C ATOM 384 CD2 LEU A 27 5.533 -2.035 -1.141 1.00 2.27 C ATOM 0 H LEU A 27 3.331 -5.063 1.398 1.00 1.49 H new ATOM 0 HA LEU A 27 4.629 -2.803 2.655 1.00 1.62 H new ATOM 0 HB2 LEU A 27 5.753 -4.433 1.177 1.00 1.87 H new ATOM 0 HB3 LEU A 27 4.620 -4.112 -0.121 1.00 1.87 H new ATOM 0 HG LEU A 27 6.007 -1.695 0.935 1.00 2.13 H new ATOM 0 HD11 LEU A 27 8.109 -2.204 -0.275 1.00 2.52 H new ATOM 0 HD12 LEU A 27 7.836 -3.361 1.049 1.00 2.52 H new ATOM 0 HD13 LEU A 27 7.507 -3.839 -0.634 1.00 2.52 H new ATOM 0 HD21 LEU A 27 6.168 -1.224 -1.498 1.00 2.27 H new ATOM 0 HD22 LEU A 27 5.563 -2.860 -1.853 1.00 2.27 H new ATOM 0 HD23 LEU A 27 4.508 -1.677 -1.043 1.00 2.27 H new ATOM 396 N GLY A 28 2.540 -2.096 0.193 1.00 1.60 N ATOM 397 CA GLY A 28 1.761 -0.959 -0.386 1.00 1.76 C ATOM 398 C GLY A 28 0.941 -0.301 0.724 1.00 1.66 C ATOM 399 O GLY A 28 0.934 0.907 0.863 1.00 1.74 O ATOM 0 H GLY A 28 2.355 -3.005 -0.231 1.00 1.60 H new ATOM 0 HA2 GLY A 28 2.436 -0.232 -0.837 1.00 1.76 H new ATOM 0 HA3 GLY A 28 1.103 -1.318 -1.178 1.00 1.76 H new ATOM 403 N ALA A 29 0.268 -1.088 1.529 1.00 1.60 N ATOM 404 CA ALA A 29 -0.534 -0.504 2.647 1.00 1.72 C ATOM 405 C ALA A 29 0.395 0.178 3.653 1.00 1.62 C ATOM 406 O ALA A 29 0.117 1.259 4.133 1.00 1.71 O ATOM 407 CB ALA A 29 -1.268 -1.684 3.288 1.00 1.83 C ATOM 0 H ALA A 29 0.240 -2.105 1.460 1.00 1.60 H new ATOM 0 HA ALA A 29 -1.237 0.253 2.299 1.00 1.72 H new ATOM 0 HB1 ALA A 29 -1.877 -1.326 4.118 1.00 1.83 H new ATOM 0 HB2 ALA A 29 -1.909 -2.160 2.546 1.00 1.83 H new ATOM 0 HB3 ALA A 29 -0.541 -2.408 3.657 1.00 1.83 H new ATOM 413 N LEU A 30 1.509 -0.437 3.950 1.00 1.54 N ATOM 414 CA LEU A 30 2.482 0.185 4.899 1.00 1.61 C ATOM 415 C LEU A 30 2.919 1.546 4.339 1.00 1.53 C ATOM 416 O LEU A 30 2.990 2.526 5.052 1.00 1.58 O ATOM 417 CB LEU A 30 3.660 -0.797 4.972 1.00 1.71 C ATOM 418 CG LEU A 30 3.409 -1.819 6.087 1.00 1.96 C ATOM 419 CD1 LEU A 30 4.207 -3.094 5.812 1.00 2.11 C ATOM 420 CD2 LEU A 30 3.854 -1.225 7.425 1.00 2.32 C ATOM 0 H LEU A 30 1.789 -1.344 3.577 1.00 1.54 H new ATOM 0 HA LEU A 30 2.065 0.361 5.890 1.00 1.61 H new ATOM 0 HB2 LEU A 30 3.780 -1.308 4.017 1.00 1.71 H new ATOM 0 HB3 LEU A 30 4.587 -0.256 5.163 1.00 1.71 H new ATOM 0 HG LEU A 30 2.346 -2.059 6.122 1.00 1.96 H new ATOM 0 HD11 LEU A 30 4.024 -3.816 6.608 1.00 2.11 H new ATOM 0 HD12 LEU A 30 3.896 -3.519 4.858 1.00 2.11 H new ATOM 0 HD13 LEU A 30 5.270 -2.857 5.774 1.00 2.11 H new ATOM 0 HD21 LEU A 30 3.677 -1.948 8.221 1.00 2.32 H new ATOM 0 HD22 LEU A 30 4.917 -0.986 7.381 1.00 2.32 H new ATOM 0 HD23 LEU A 30 3.286 -0.317 7.627 1.00 2.32 H new ATOM 432 N ILE A 31 3.169 1.611 3.052 1.00 1.51 N ATOM 433 CA ILE A 31 3.560 2.908 2.419 1.00 1.60 C ATOM 434 C ILE A 31 2.343 3.847 2.405 1.00 1.63 C ATOM 435 O ILE A 31 2.437 5.007 2.769 1.00 1.64 O ATOM 436 CB ILE A 31 3.998 2.537 0.993 1.00 1.81 C ATOM 437 CG1 ILE A 31 5.317 1.751 1.044 1.00 1.93 C ATOM 438 CG2 ILE A 31 4.197 3.801 0.154 1.00 2.06 C ATOM 439 CD1 ILE A 31 6.434 2.625 1.629 1.00 2.13 C ATOM 0 H ILE A 31 3.118 0.818 2.412 1.00 1.51 H new ATOM 0 HA ILE A 31 4.358 3.425 2.952 1.00 1.60 H new ATOM 0 HB ILE A 31 3.221 1.923 0.537 1.00 1.81 H new ATOM 0 HG12 ILE A 31 5.191 0.855 1.651 1.00 1.93 H new ATOM 0 HG13 ILE A 31 5.591 1.421 0.042 1.00 1.93 H new ATOM 0 HG21 ILE A 31 4.507 3.524 -0.854 1.00 2.06 H new ATOM 0 HG22 ILE A 31 3.261 4.357 0.106 1.00 2.06 H new ATOM 0 HG23 ILE A 31 4.965 4.424 0.612 1.00 2.06 H new ATOM 0 HD11 ILE A 31 7.363 2.056 1.660 1.00 2.13 H new ATOM 0 HD12 ILE A 31 6.570 3.508 1.005 1.00 2.13 H new ATOM 0 HD13 ILE A 31 6.164 2.933 2.639 1.00 2.13 H new ATOM 451 N LEU A 32 1.199 3.338 2.009 1.00 1.74 N ATOM 452 CA LEU A 32 -0.038 4.177 1.992 1.00 1.96 C ATOM 453 C LEU A 32 -0.287 4.758 3.393 1.00 1.91 C ATOM 454 O LEU A 32 -0.536 5.939 3.550 1.00 1.99 O ATOM 455 CB LEU A 32 -1.168 3.218 1.590 1.00 2.18 C ATOM 456 CG LEU A 32 -2.453 4.010 1.313 1.00 2.77 C ATOM 457 CD1 LEU A 32 -2.984 3.659 -0.076 1.00 3.24 C ATOM 458 CD2 LEU A 32 -3.511 3.651 2.357 1.00 3.18 C ATOM 0 H LEU A 32 1.071 2.375 1.697 1.00 1.74 H new ATOM 0 HA LEU A 32 0.035 5.019 1.303 1.00 1.96 H new ATOM 0 HB2 LEU A 32 -0.880 2.654 0.703 1.00 2.18 H new ATOM 0 HB3 LEU A 32 -1.342 2.493 2.385 1.00 2.18 H new ATOM 0 HG LEU A 32 -2.233 5.076 1.363 1.00 2.77 H new ATOM 0 HD11 LEU A 32 -3.896 4.223 -0.270 1.00 3.24 H new ATOM 0 HD12 LEU A 32 -2.235 3.912 -0.826 1.00 3.24 H new ATOM 0 HD13 LEU A 32 -3.200 2.592 -0.124 1.00 3.24 H new ATOM 0 HD21 LEU A 32 -4.423 4.214 2.159 1.00 3.18 H new ATOM 0 HD22 LEU A 32 -3.725 2.584 2.306 1.00 3.18 H new ATOM 0 HD23 LEU A 32 -3.140 3.899 3.351 1.00 3.18 H new ATOM 470 N GLY A 33 -0.207 3.939 4.412 1.00 1.86 N ATOM 471 CA GLY A 33 -0.424 4.438 5.803 1.00 1.99 C ATOM 472 C GLY A 33 0.729 5.357 6.211 1.00 1.83 C ATOM 473 O GLY A 33 0.515 6.399 6.800 1.00 1.93 O ATOM 0 H GLY A 33 0.000 2.943 4.339 1.00 1.86 H new ATOM 0 HA2 GLY A 33 -1.369 4.978 5.862 1.00 1.99 H new ATOM 0 HA3 GLY A 33 -0.493 3.598 6.494 1.00 1.99 H new ATOM 988 N GLN A 66 -18.863 12.246 18.229 1.00 2.66 N ATOM 989 CA GLN A 66 -17.405 12.042 18.452 1.00 2.48 C ATOM 990 C GLN A 66 -16.638 13.036 17.585 1.00 2.30 C ATOM 991 O GLN A 66 -15.925 13.875 18.082 1.00 2.15 O ATOM 992 CB GLN A 66 -17.121 10.596 18.034 1.00 2.52 C ATOM 993 CG GLN A 66 -15.824 10.121 18.702 1.00 2.48 C ATOM 994 CD GLN A 66 -15.524 8.672 18.302 1.00 2.52 C ATOM 995 OE1 GLN A 66 -15.956 8.209 17.265 1.00 2.79 O ATOM 996 NE2 GLN A 66 -14.796 7.928 19.083 1.00 2.47 N ATOM 0 HA GLN A 66 -17.101 12.204 19.486 1.00 2.48 H new ATOM 0 HB2 GLN A 66 -17.951 9.952 18.325 1.00 2.52 H new ATOM 0 HB3 GLN A 66 -17.031 10.530 16.950 1.00 2.52 H new ATOM 0 HG2 GLN A 66 -14.997 10.766 18.407 1.00 2.48 H new ATOM 0 HG3 GLN A 66 -15.916 10.196 19.786 1.00 2.48 H new ATOM 0 HE21 GLN A 66 -14.430 8.310 19.955 1.00 2.47 H new ATOM 0 HE22 GLN A 66 -14.592 6.963 18.823 1.00 2.47 H new ATOM 1005 N TYR A 67 -16.817 12.976 16.299 1.00 2.31 N ATOM 1006 CA TYR A 67 -16.123 13.953 15.406 1.00 2.14 C ATOM 1007 C TYR A 67 -16.611 15.374 15.717 1.00 2.19 C ATOM 1008 O TYR A 67 -15.853 16.325 15.667 1.00 2.10 O ATOM 1009 CB TYR A 67 -16.490 13.543 13.978 1.00 2.10 C ATOM 1010 CG TYR A 67 -15.285 13.734 13.090 1.00 1.69 C ATOM 1011 CD1 TYR A 67 -14.259 12.780 13.085 1.00 1.77 C ATOM 1012 CD2 TYR A 67 -15.185 14.872 12.281 1.00 1.55 C ATOM 1013 CE1 TYR A 67 -13.137 12.962 12.266 1.00 1.59 C ATOM 1014 CE2 TYR A 67 -14.063 15.055 11.464 1.00 1.31 C ATOM 1015 CZ TYR A 67 -13.039 14.101 11.458 1.00 1.25 C ATOM 1016 OH TYR A 67 -11.937 14.284 10.651 1.00 1.30 O ATOM 0 H TYR A 67 -17.411 12.297 15.823 1.00 2.31 H new ATOM 0 HA TYR A 67 -15.042 13.948 15.547 1.00 2.14 H new ATOM 0 HB2 TYR A 67 -16.813 12.502 13.956 1.00 2.10 H new ATOM 0 HB3 TYR A 67 -17.324 14.144 13.616 1.00 2.10 H new ATOM 0 HD1 TYR A 67 -14.333 11.904 13.713 1.00 1.77 H new ATOM 0 HD2 TYR A 67 -15.974 15.609 12.287 1.00 1.55 H new ATOM 0 HE1 TYR A 67 -12.348 12.224 12.258 1.00 1.59 H new ATOM 0 HE2 TYR A 67 -13.988 15.932 10.838 1.00 1.31 H new ATOM 0 HH TYR A 67 -12.030 15.125 10.156 1.00 1.30 H new ATOM 1026 N SER A 68 -17.869 15.516 16.052 1.00 2.37 N ATOM 1027 CA SER A 68 -18.423 16.869 16.388 1.00 2.47 C ATOM 1028 C SER A 68 -17.709 17.454 17.610 1.00 2.48 C ATOM 1029 O SER A 68 -17.395 18.623 17.641 1.00 2.49 O ATOM 1030 CB SER A 68 -19.902 16.647 16.705 1.00 2.71 C ATOM 1031 OG SER A 68 -20.692 17.298 15.720 1.00 2.44 O ATOM 0 H SER A 68 -18.541 14.751 16.108 1.00 2.37 H new ATOM 0 HA SER A 68 -18.284 17.570 15.565 1.00 2.47 H new ATOM 0 HB2 SER A 68 -20.127 15.581 16.723 1.00 2.71 H new ATOM 0 HB3 SER A 68 -20.137 17.039 17.695 1.00 2.71 H new ATOM 0 HG SER A 68 -21.642 17.158 15.917 1.00 2.44 H new ATOM 1037 N ALA A 69 -17.458 16.659 18.622 1.00 2.50 N ATOM 1038 CA ALA A 69 -16.764 17.192 19.838 1.00 2.52 C ATOM 1039 C ALA A 69 -15.238 17.093 19.687 1.00 2.28 C ATOM 1040 O ALA A 69 -14.511 18.000 20.049 1.00 2.24 O ATOM 1041 CB ALA A 69 -17.256 16.315 20.994 1.00 2.72 C ATOM 0 H ALA A 69 -17.702 15.669 18.660 1.00 2.50 H new ATOM 0 HA ALA A 69 -16.986 18.246 20.003 1.00 2.52 H new ATOM 0 HB1 ALA A 69 -16.791 16.644 21.923 1.00 2.72 H new ATOM 0 HB2 ALA A 69 -18.339 16.401 21.080 1.00 2.72 H new ATOM 0 HB3 ALA A 69 -16.988 15.276 20.802 1.00 2.72 H new ATOM 1047 N LYS A 70 -14.759 16.004 19.150 1.00 2.16 N ATOM 1048 CA LYS A 70 -13.282 15.837 18.965 1.00 1.97 C ATOM 1049 C LYS A 70 -12.765 16.846 17.939 1.00 1.66 C ATOM 1050 O LYS A 70 -11.729 17.444 18.126 1.00 1.53 O ATOM 1051 CB LYS A 70 -13.063 14.399 18.462 1.00 1.99 C ATOM 1052 CG LYS A 70 -13.719 13.386 19.412 1.00 2.39 C ATOM 1053 CD LYS A 70 -12.732 12.969 20.505 1.00 1.97 C ATOM 1054 CE LYS A 70 -13.502 12.730 21.806 1.00 1.92 C ATOM 1055 NZ LYS A 70 -13.162 11.341 22.213 1.00 1.88 N ATOM 0 H LYS A 70 -15.325 15.219 18.829 1.00 2.16 H new ATOM 0 HA LYS A 70 -12.743 16.011 19.897 1.00 1.97 H new ATOM 0 HB2 LYS A 70 -13.482 14.291 17.461 1.00 1.99 H new ATOM 0 HB3 LYS A 70 -11.995 14.194 18.385 1.00 1.99 H new ATOM 0 HG2 LYS A 70 -14.609 13.824 19.864 1.00 2.39 H new ATOM 0 HG3 LYS A 70 -14.044 12.509 18.852 1.00 2.39 H new ATOM 0 HD2 LYS A 70 -12.203 12.063 20.209 1.00 1.97 H new ATOM 0 HD3 LYS A 70 -11.980 13.745 20.649 1.00 1.97 H new ATOM 0 HE2 LYS A 70 -13.210 13.447 22.573 1.00 1.92 H new ATOM 0 HE3 LYS A 70 -14.575 12.844 21.655 1.00 1.92 H new ATOM 0 HZ1 LYS A 70 -13.655 11.108 23.099 1.00 1.88 H new ATOM 0 HZ2 LYS A 70 -13.458 10.679 21.468 1.00 1.88 H new ATOM 0 HZ3 LYS A 70 -12.135 11.263 22.358 1.00 1.88 H new ATOM 1069 N GLY A 71 -13.488 17.043 16.866 1.00 1.59 N ATOM 1070 CA GLY A 71 -13.056 18.023 15.813 1.00 1.37 C ATOM 1071 C GLY A 71 -12.580 19.327 16.468 1.00 1.44 C ATOM 1072 O GLY A 71 -11.425 19.686 16.347 1.00 1.30 O ATOM 0 H GLY A 71 -14.367 16.565 16.669 1.00 1.59 H new ATOM 0 HA2 GLY A 71 -12.253 17.594 15.214 1.00 1.37 H new ATOM 0 HA3 GLY A 71 -13.884 18.229 15.135 1.00 1.37 H new ATOM 1076 N PRO A 72 -13.480 19.991 17.158 1.00 1.70 N ATOM 1077 CA PRO A 72 -13.120 21.259 17.845 1.00 1.86 C ATOM 1078 C PRO A 72 -12.127 20.996 18.989 1.00 1.85 C ATOM 1079 O PRO A 72 -11.215 21.779 19.206 1.00 1.82 O ATOM 1080 CB PRO A 72 -14.461 21.786 18.359 1.00 2.21 C ATOM 1081 CG PRO A 72 -15.328 20.574 18.465 1.00 2.24 C ATOM 1082 CD PRO A 72 -14.889 19.638 17.371 1.00 1.92 C ATOM 0 HA PRO A 72 -12.621 21.976 17.193 1.00 1.86 H new ATOM 0 HB2 PRO A 72 -14.349 22.279 19.325 1.00 2.21 H new ATOM 0 HB3 PRO A 72 -14.887 22.519 17.674 1.00 2.21 H new ATOM 0 HG2 PRO A 72 -15.221 20.105 19.443 1.00 2.24 H new ATOM 0 HG3 PRO A 72 -16.379 20.838 18.351 1.00 2.24 H new ATOM 0 HD2 PRO A 72 -15.000 18.595 17.667 1.00 1.92 H new ATOM 0 HD3 PRO A 72 -15.478 19.777 16.465 1.00 1.92 H new ATOM 1090 N CYS A 73 -12.273 19.907 19.713 1.00 1.92 N ATOM 1091 CA CYS A 73 -11.304 19.620 20.820 1.00 1.97 C ATOM 1092 C CYS A 73 -9.913 19.347 20.235 1.00 1.66 C ATOM 1093 O CYS A 73 -8.915 19.846 20.722 1.00 1.61 O ATOM 1094 CB CYS A 73 -11.844 18.379 21.538 1.00 2.18 C ATOM 1095 SG CYS A 73 -11.671 18.597 23.327 1.00 2.59 S ATOM 0 H CYS A 73 -13.011 19.214 19.587 1.00 1.92 H new ATOM 0 HA CYS A 73 -11.207 20.460 21.507 1.00 1.97 H new ATOM 0 HB2 CYS A 73 -12.891 18.222 21.279 1.00 2.18 H new ATOM 0 HB3 CYS A 73 -11.299 17.492 21.214 1.00 2.18 H new ATOM 0 HG CYS A 73 -12.131 17.546 23.939 1.00 2.59 H new ATOM 1101 N VAL A 74 -9.853 18.574 19.184 1.00 1.49 N ATOM 1102 CA VAL A 74 -8.543 18.266 18.533 1.00 1.24 C ATOM 1103 C VAL A 74 -8.016 19.513 17.826 1.00 1.09 C ATOM 1104 O VAL A 74 -6.855 19.840 17.934 1.00 1.03 O ATOM 1105 CB VAL A 74 -8.834 17.137 17.532 1.00 1.20 C ATOM 1106 CG1 VAL A 74 -7.634 16.942 16.603 1.00 1.06 C ATOM 1107 CG2 VAL A 74 -9.088 15.836 18.295 1.00 1.42 C ATOM 0 H VAL A 74 -10.663 18.138 18.743 1.00 1.49 H new ATOM 0 HA VAL A 74 -7.781 17.962 19.251 1.00 1.24 H new ATOM 0 HB VAL A 74 -9.711 17.401 16.942 1.00 1.20 H new ATOM 0 HG11 VAL A 74 -7.848 16.140 15.896 1.00 1.06 H new ATOM 0 HG12 VAL A 74 -7.443 17.866 16.057 1.00 1.06 H new ATOM 0 HG13 VAL A 74 -6.756 16.681 17.193 1.00 1.06 H new ATOM 0 HG21 VAL A 74 -9.295 15.033 17.587 1.00 1.42 H new ATOM 0 HG22 VAL A 74 -8.207 15.582 18.884 1.00 1.42 H new ATOM 0 HG23 VAL A 74 -9.944 15.964 18.958 1.00 1.42 H new ATOM 1117 N GLU A 75 -8.867 20.215 17.127 1.00 1.15 N ATOM 1118 CA GLU A 75 -8.433 21.466 16.425 1.00 1.22 C ATOM 1119 C GLU A 75 -7.791 22.433 17.430 1.00 1.28 C ATOM 1120 O GLU A 75 -6.759 23.032 17.171 1.00 1.25 O ATOM 1121 CB GLU A 75 -9.726 22.056 15.852 1.00 1.49 C ATOM 1122 CG GLU A 75 -9.417 23.313 15.026 1.00 1.71 C ATOM 1123 CD GLU A 75 -10.194 24.510 15.585 1.00 2.31 C ATOM 1124 OE1 GLU A 75 -11.410 24.414 15.700 1.00 2.59 O ATOM 1125 OE2 GLU A 75 -9.558 25.507 15.895 1.00 2.62 O ATOM 0 H GLU A 75 -9.852 19.977 17.009 1.00 1.15 H new ATOM 0 HA GLU A 75 -7.691 21.279 15.648 1.00 1.22 H new ATOM 0 HB2 GLU A 75 -10.226 21.316 15.227 1.00 1.49 H new ATOM 0 HB3 GLU A 75 -10.411 22.304 16.663 1.00 1.49 H new ATOM 0 HG2 GLU A 75 -8.347 23.520 15.050 1.00 1.71 H new ATOM 0 HG3 GLU A 75 -9.687 23.148 13.983 1.00 1.71 H new ATOM 1132 N ARG A 76 -8.395 22.566 18.582 1.00 1.43 N ATOM 1133 CA ARG A 76 -7.839 23.473 19.635 1.00 1.53 C ATOM 1134 C ARG A 76 -6.537 22.899 20.182 1.00 1.35 C ATOM 1135 O ARG A 76 -5.535 23.580 20.281 1.00 1.31 O ATOM 1136 CB ARG A 76 -8.909 23.520 20.733 1.00 1.80 C ATOM 1137 CG ARG A 76 -9.693 24.828 20.624 1.00 2.08 C ATOM 1138 CD ARG A 76 -10.133 25.041 19.174 1.00 2.19 C ATOM 1139 NE ARG A 76 -11.381 24.243 19.038 1.00 2.32 N ATOM 1140 CZ ARG A 76 -12.519 24.831 18.842 1.00 2.61 C ATOM 1141 NH1 ARG A 76 -13.240 25.189 19.856 1.00 2.83 N ATOM 1142 NH2 ARG A 76 -12.932 25.058 17.633 1.00 2.77 N ATOM 0 H ARG A 76 -9.255 22.083 18.842 1.00 1.43 H new ATOM 0 HA ARG A 76 -7.615 24.467 19.247 1.00 1.53 H new ATOM 0 HB2 ARG A 76 -9.584 22.670 20.635 1.00 1.80 H new ATOM 0 HB3 ARG A 76 -8.442 23.444 21.715 1.00 1.80 H new ATOM 0 HG2 ARG A 76 -10.564 24.798 21.279 1.00 2.08 H new ATOM 0 HG3 ARG A 76 -9.075 25.663 20.954 1.00 2.08 H new ATOM 0 HD2 ARG A 76 -10.312 26.096 18.965 1.00 2.19 H new ATOM 0 HD3 ARG A 76 -9.369 24.703 18.474 1.00 2.19 H new ATOM 0 HE ARG A 76 -11.341 23.226 19.099 1.00 2.32 H new ATOM 0 HH11 ARG A 76 -12.912 25.008 20.805 1.00 2.83 H new ATOM 0 HH12 ARG A 76 -14.136 25.652 19.706 1.00 2.83 H new ATOM 0 HH21 ARG A 76 -12.361 24.774 16.837 1.00 2.77 H new ATOM 0 HH22 ARG A 76 -13.828 25.521 17.479 1.00 2.77 H new ATOM 1156 N LYS A 77 -6.551 21.641 20.520 1.00 1.31 N ATOM 1157 CA LYS A 77 -5.318 20.982 21.052 1.00 1.25 C ATOM 1158 C LYS A 77 -4.196 21.055 20.011 1.00 1.07 C ATOM 1159 O LYS A 77 -3.114 21.548 20.274 1.00 1.11 O ATOM 1160 CB LYS A 77 -5.726 19.527 21.291 1.00 1.37 C ATOM 1161 CG LYS A 77 -6.447 19.396 22.633 1.00 1.60 C ATOM 1162 CD LYS A 77 -6.377 17.938 23.074 1.00 1.83 C ATOM 1163 CE LYS A 77 -7.081 17.757 24.417 1.00 2.05 C ATOM 1164 NZ LYS A 77 -6.757 16.356 24.826 1.00 2.15 N ATOM 0 H LYS A 77 -7.367 21.033 20.452 1.00 1.31 H new ATOM 0 HA LYS A 77 -4.948 21.460 21.959 1.00 1.25 H new ATOM 0 HB2 LYS A 77 -6.377 19.187 20.485 1.00 1.37 H new ATOM 0 HB3 LYS A 77 -4.843 18.887 21.280 1.00 1.37 H new ATOM 0 HG2 LYS A 77 -5.982 20.041 23.378 1.00 1.60 H new ATOM 0 HG3 LYS A 77 -7.485 19.715 22.539 1.00 1.60 H new ATOM 0 HD2 LYS A 77 -6.843 17.301 22.322 1.00 1.83 H new ATOM 0 HD3 LYS A 77 -5.336 17.625 23.156 1.00 1.83 H new ATOM 0 HE2 LYS A 77 -6.723 18.478 25.152 1.00 2.05 H new ATOM 0 HE3 LYS A 77 -8.157 17.904 24.324 1.00 2.05 H new ATOM 0 HZ1 LYS A 77 -7.204 16.150 25.742 1.00 2.15 H new ATOM 0 HZ2 LYS A 77 -7.115 15.693 24.109 1.00 2.15 H new ATOM 0 HZ3 LYS A 77 -5.726 16.249 24.912 1.00 2.15 H new ATOM 1178 N ALA A 78 -4.467 20.571 18.831 1.00 0.96 N ATOM 1179 CA ALA A 78 -3.453 20.594 17.734 1.00 0.97 C ATOM 1180 C ALA A 78 -2.917 22.007 17.531 1.00 0.98 C ATOM 1181 O ALA A 78 -1.722 22.222 17.498 1.00 1.05 O ATOM 1182 CB ALA A 78 -4.202 20.113 16.487 1.00 1.02 C ATOM 0 H ALA A 78 -5.362 20.154 18.574 1.00 0.96 H new ATOM 0 HA ALA A 78 -2.592 19.964 17.958 1.00 0.97 H new ATOM 0 HB1 ALA A 78 -3.522 20.102 15.635 1.00 1.02 H new ATOM 0 HB2 ALA A 78 -4.585 19.107 16.658 1.00 1.02 H new ATOM 0 HB3 ALA A 78 -5.033 20.787 16.279 1.00 1.02 H new ATOM 1188 N LYS A 79 -3.784 22.969 17.392 1.00 1.03 N ATOM 1189 CA LYS A 79 -3.307 24.374 17.189 1.00 1.20 C ATOM 1190 C LYS A 79 -2.619 24.905 18.461 1.00 1.19 C ATOM 1191 O LYS A 79 -1.774 25.774 18.396 1.00 1.29 O ATOM 1192 CB LYS A 79 -4.564 25.179 16.818 1.00 1.41 C ATOM 1193 CG LYS A 79 -5.235 25.775 18.062 1.00 1.54 C ATOM 1194 CD LYS A 79 -5.751 27.180 17.733 1.00 2.06 C ATOM 1195 CE LYS A 79 -7.271 27.139 17.544 1.00 2.50 C ATOM 1196 NZ LYS A 79 -7.480 26.800 16.105 1.00 2.63 N ATOM 0 H LYS A 79 -4.797 22.850 17.409 1.00 1.03 H new ATOM 0 HA LYS A 79 -2.555 24.450 16.404 1.00 1.20 H new ATOM 0 HB2 LYS A 79 -4.295 25.980 16.129 1.00 1.41 H new ATOM 0 HB3 LYS A 79 -5.270 24.533 16.296 1.00 1.41 H new ATOM 0 HG2 LYS A 79 -6.059 25.139 18.385 1.00 1.54 H new ATOM 0 HG3 LYS A 79 -4.524 25.820 18.887 1.00 1.54 H new ATOM 0 HD2 LYS A 79 -5.493 27.870 18.536 1.00 2.06 H new ATOM 0 HD3 LYS A 79 -5.272 27.551 16.827 1.00 2.06 H new ATOM 0 HE2 LYS A 79 -7.728 26.393 18.194 1.00 2.50 H new ATOM 0 HE3 LYS A 79 -7.724 28.099 17.792 1.00 2.50 H new ATOM 0 HZ1 LYS A 79 -8.467 26.507 15.957 1.00 2.63 H new ATOM 0 HZ2 LYS A 79 -7.275 27.634 15.519 1.00 2.63 H new ATOM 0 HZ3 LYS A 79 -6.844 26.023 15.836 1.00 2.63 H new ATOM 1210 N LEU A 80 -2.965 24.380 19.616 1.00 1.18 N ATOM 1211 CA LEU A 80 -2.311 24.847 20.874 1.00 1.29 C ATOM 1212 C LEU A 80 -0.943 24.167 21.041 1.00 1.22 C ATOM 1213 O LEU A 80 -0.026 24.730 21.606 1.00 1.33 O ATOM 1214 CB LEU A 80 -3.259 24.443 22.010 1.00 1.45 C ATOM 1215 CG LEU A 80 -2.671 24.898 23.352 1.00 1.74 C ATOM 1216 CD1 LEU A 80 -3.547 25.997 23.950 1.00 2.21 C ATOM 1217 CD2 LEU A 80 -2.617 23.718 24.325 1.00 2.09 C ATOM 0 H LEU A 80 -3.669 23.652 19.737 1.00 1.18 H new ATOM 0 HA LEU A 80 -2.136 25.923 20.867 1.00 1.29 H new ATOM 0 HB2 LEU A 80 -4.239 24.895 21.858 1.00 1.45 H new ATOM 0 HB3 LEU A 80 -3.403 23.363 22.011 1.00 1.45 H new ATOM 0 HG LEU A 80 -1.663 25.279 23.185 1.00 1.74 H new ATOM 0 HD11 LEU A 80 -3.127 26.319 24.903 1.00 2.21 H new ATOM 0 HD12 LEU A 80 -3.585 26.845 23.266 1.00 2.21 H new ATOM 0 HD13 LEU A 80 -4.555 25.613 24.108 1.00 2.21 H new ATOM 0 HD21 LEU A 80 -2.198 24.049 25.275 1.00 2.09 H new ATOM 0 HD22 LEU A 80 -3.624 23.333 24.486 1.00 2.09 H new ATOM 0 HD23 LEU A 80 -1.990 22.930 23.907 1.00 2.09 H new