USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=6 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 Set 1.1: A 66 GLN : amide:sc= 1 K(o=1.5,f=-18!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 175:sc= 0.472! (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0116 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 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+ -177:sc= 0.906 (180deg=0.868) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.696 -21.337 -5.981 1.00 2.83 N ATOM 175 CA VAL A 14 -0.359 -20.394 -5.510 1.00 2.40 C ATOM 176 C VAL A 14 -0.005 -19.852 -4.114 1.00 2.43 C ATOM 177 O VAL A 14 -0.296 -18.715 -3.797 1.00 2.25 O ATOM 178 CB VAL A 14 -1.662 -21.206 -5.498 1.00 2.21 C ATOM 179 CG1 VAL A 14 -1.880 -21.846 -6.872 1.00 2.40 C ATOM 180 CG2 VAL A 14 -1.596 -22.306 -4.434 1.00 2.35 C ATOM 0 HA VAL A 14 -0.455 -19.521 -6.156 1.00 2.40 H new ATOM 0 HB VAL A 14 -2.489 -20.536 -5.266 1.00 2.21 H new ATOM 0 HG11 VAL A 14 -2.805 -22.422 -6.862 1.00 2.40 H new ATOM 0 HG12 VAL A 14 -1.946 -21.066 -7.630 1.00 2.40 H new ATOM 0 HG13 VAL A 14 -1.044 -22.506 -7.103 1.00 2.40 H new ATOM 0 HG21 VAL A 14 -2.527 -22.873 -4.438 1.00 2.35 H new ATOM 0 HG22 VAL A 14 -0.763 -22.975 -4.653 1.00 2.35 H new ATOM 0 HG23 VAL A 14 -1.450 -21.855 -3.453 1.00 2.35 H new ATOM 190 N VAL A 15 0.640 -20.640 -3.285 1.00 2.78 N ATOM 191 CA VAL A 15 1.020 -20.137 -1.924 1.00 3.07 C ATOM 192 C VAL A 15 2.148 -19.108 -2.040 1.00 3.30 C ATOM 193 O VAL A 15 2.077 -18.034 -1.470 1.00 3.28 O ATOM 194 CB VAL A 15 1.474 -21.371 -1.128 1.00 3.53 C ATOM 195 CG1 VAL A 15 2.342 -20.940 0.058 1.00 4.06 C ATOM 196 CG2 VAL A 15 0.247 -22.116 -0.595 1.00 3.44 C ATOM 0 H VAL A 15 0.918 -21.600 -3.488 1.00 2.78 H new ATOM 0 HA VAL A 15 0.188 -19.639 -1.427 1.00 3.07 H new ATOM 0 HB VAL A 15 2.051 -22.021 -1.786 1.00 3.53 H new ATOM 0 HG11 VAL A 15 2.659 -21.821 0.616 1.00 4.06 H new ATOM 0 HG12 VAL A 15 3.220 -20.407 -0.308 1.00 4.06 H new ATOM 0 HG13 VAL A 15 1.766 -20.285 0.711 1.00 4.06 H new ATOM 0 HG21 VAL A 15 0.569 -22.991 -0.031 1.00 3.44 H new ATOM 0 HG22 VAL A 15 -0.326 -21.455 0.056 1.00 3.44 H new ATOM 0 HG23 VAL A 15 -0.377 -22.433 -1.430 1.00 3.44 H new ATOM 206 N THR A 16 3.178 -19.418 -2.779 1.00 3.60 N ATOM 207 CA THR A 16 4.305 -18.449 -2.936 1.00 3.95 C ATOM 208 C THR A 16 3.794 -17.153 -3.557 1.00 3.58 C ATOM 209 O THR A 16 4.049 -16.076 -3.049 1.00 3.62 O ATOM 210 CB THR A 16 5.337 -19.130 -3.844 1.00 4.40 C ATOM 211 OG1 THR A 16 4.694 -19.706 -4.971 1.00 4.19 O ATOM 212 CG2 THR A 16 6.071 -20.221 -3.061 1.00 4.88 C ATOM 0 H THR A 16 3.290 -20.299 -3.281 1.00 3.60 H new ATOM 0 HA THR A 16 4.752 -18.189 -1.977 1.00 3.95 H new ATOM 0 HB THR A 16 6.053 -18.383 -4.187 1.00 4.40 H new ATOM 0 HG1 THR A 16 5.362 -20.136 -5.544 1.00 4.19 H new ATOM 0 HG21 THR A 16 6.803 -20.703 -3.708 1.00 4.88 H new ATOM 0 HG22 THR A 16 6.580 -19.776 -2.206 1.00 4.88 H new ATOM 0 HG23 THR A 16 5.353 -20.962 -2.710 1.00 4.88 H new ATOM 220 N VAL A 17 3.056 -17.237 -4.632 1.00 3.27 N ATOM 221 CA VAL A 17 2.520 -15.989 -5.252 1.00 3.00 C ATOM 222 C VAL A 17 1.552 -15.294 -4.276 1.00 2.53 C ATOM 223 O VAL A 17 1.540 -14.082 -4.185 1.00 2.44 O ATOM 224 CB VAL A 17 1.816 -16.404 -6.552 1.00 2.95 C ATOM 225 CG1 VAL A 17 2.792 -17.154 -7.466 1.00 3.53 C ATOM 226 CG2 VAL A 17 0.616 -17.298 -6.244 1.00 2.57 C ATOM 0 H VAL A 17 2.803 -18.105 -5.104 1.00 3.27 H new ATOM 0 HA VAL A 17 3.314 -15.275 -5.473 1.00 3.00 H new ATOM 0 HB VAL A 17 1.469 -15.503 -7.058 1.00 2.95 H new ATOM 0 HG11 VAL A 17 2.281 -17.443 -8.385 1.00 3.53 H new ATOM 0 HG12 VAL A 17 3.635 -16.506 -7.708 1.00 3.53 H new ATOM 0 HG13 VAL A 17 3.155 -18.047 -6.956 1.00 3.53 H new ATOM 0 HG21 VAL A 17 0.127 -17.584 -7.175 1.00 2.57 H new ATOM 0 HG22 VAL A 17 0.954 -18.193 -5.721 1.00 2.57 H new ATOM 0 HG23 VAL A 17 -0.090 -16.755 -5.615 1.00 2.57 H new ATOM 236 N ILE A 18 0.764 -16.036 -3.521 1.00 2.32 N ATOM 237 CA ILE A 18 -0.157 -15.373 -2.538 1.00 2.10 C ATOM 238 C ILE A 18 0.677 -14.728 -1.431 1.00 2.46 C ATOM 239 O ILE A 18 0.389 -13.638 -0.993 1.00 2.39 O ATOM 240 CB ILE A 18 -1.070 -16.486 -1.997 1.00 2.16 C ATOM 241 CG1 ILE A 18 -2.221 -16.733 -2.984 1.00 1.89 C ATOM 242 CG2 ILE A 18 -1.654 -16.084 -0.639 1.00 2.47 C ATOM 243 CD1 ILE A 18 -3.139 -15.505 -3.048 1.00 1.86 C ATOM 0 H ILE A 18 0.721 -17.055 -3.544 1.00 2.32 H new ATOM 0 HA ILE A 18 -0.758 -14.582 -2.986 1.00 2.10 H new ATOM 0 HB ILE A 18 -0.479 -17.394 -1.878 1.00 2.16 H new ATOM 0 HG12 ILE A 18 -1.820 -16.948 -3.975 1.00 1.89 H new ATOM 0 HG13 ILE A 18 -2.793 -17.608 -2.675 1.00 1.89 H new ATOM 0 HG21 ILE A 18 -2.298 -16.882 -0.269 1.00 2.47 H new ATOM 0 HG22 ILE A 18 -0.843 -15.914 0.070 1.00 2.47 H new ATOM 0 HG23 ILE A 18 -2.237 -15.170 -0.750 1.00 2.47 H new ATOM 0 HD11 ILE A 18 -3.950 -15.693 -3.751 1.00 1.86 H new ATOM 0 HD12 ILE A 18 -3.554 -15.309 -2.059 1.00 1.86 H new ATOM 0 HD13 ILE A 18 -2.566 -14.639 -3.379 1.00 1.86 H new ATOM 255 N VAL A 19 1.731 -15.372 -1.008 1.00 2.94 N ATOM 256 CA VAL A 19 2.605 -14.758 0.039 1.00 3.41 C ATOM 257 C VAL A 19 3.264 -13.507 -0.554 1.00 3.36 C ATOM 258 O VAL A 19 3.314 -12.466 0.076 1.00 3.40 O ATOM 259 CB VAL A 19 3.655 -15.824 0.392 1.00 3.98 C ATOM 260 CG1 VAL A 19 4.758 -15.196 1.245 1.00 4.53 C ATOM 261 CG2 VAL A 19 2.991 -16.952 1.189 1.00 4.14 C ATOM 0 H VAL A 19 2.025 -16.291 -1.338 1.00 2.94 H new ATOM 0 HA VAL A 19 2.055 -14.458 0.931 1.00 3.41 H new ATOM 0 HB VAL A 19 4.083 -16.223 -0.528 1.00 3.98 H new ATOM 0 HG11 VAL A 19 5.501 -15.954 1.494 1.00 4.53 H new ATOM 0 HG12 VAL A 19 5.235 -14.390 0.687 1.00 4.53 H new ATOM 0 HG13 VAL A 19 4.326 -14.797 2.162 1.00 4.53 H new ATOM 0 HG21 VAL A 19 3.736 -17.708 1.439 1.00 4.14 H new ATOM 0 HG22 VAL A 19 2.563 -16.547 2.106 1.00 4.14 H new ATOM 0 HG23 VAL A 19 2.201 -17.405 0.590 1.00 4.14 H new ATOM 271 N ILE A 20 3.734 -13.592 -1.778 1.00 3.35 N ATOM 272 CA ILE A 20 4.351 -12.393 -2.426 1.00 3.42 C ATOM 273 C ILE A 20 3.281 -11.315 -2.582 1.00 2.88 C ATOM 274 O ILE A 20 3.481 -10.170 -2.227 1.00 2.89 O ATOM 275 CB ILE A 20 4.861 -12.877 -3.790 1.00 3.66 C ATOM 276 CG1 ILE A 20 6.050 -13.813 -3.578 1.00 4.27 C ATOM 277 CG2 ILE A 20 5.310 -11.682 -4.635 1.00 3.80 C ATOM 278 CD1 ILE A 20 6.252 -14.680 -4.821 1.00 4.55 C ATOM 0 H ILE A 20 3.716 -14.435 -2.352 1.00 3.35 H new ATOM 0 HA ILE A 20 5.166 -11.964 -1.843 1.00 3.42 H new ATOM 0 HB ILE A 20 4.058 -13.402 -4.307 1.00 3.66 H new ATOM 0 HG12 ILE A 20 6.951 -13.233 -3.377 1.00 4.27 H new ATOM 0 HG13 ILE A 20 5.877 -14.445 -2.707 1.00 4.27 H new ATOM 0 HG21 ILE A 20 5.670 -12.035 -5.601 1.00 3.80 H new ATOM 0 HG22 ILE A 20 4.468 -11.006 -4.786 1.00 3.80 H new ATOM 0 HG23 ILE A 20 6.112 -11.153 -4.120 1.00 3.80 H new ATOM 0 HD11 ILE A 20 7.101 -15.346 -4.666 1.00 4.55 H new ATOM 0 HD12 ILE A 20 5.355 -15.272 -5.002 1.00 4.55 H new ATOM 0 HD13 ILE A 20 6.445 -14.041 -5.683 1.00 4.55 H new ATOM 290 N LEU A 21 2.133 -11.693 -3.080 1.00 2.44 N ATOM 291 CA LEU A 21 1.015 -10.710 -3.231 1.00 1.97 C ATOM 292 C LEU A 21 0.667 -10.134 -1.852 1.00 1.93 C ATOM 293 O LEU A 21 0.584 -8.931 -1.679 1.00 1.85 O ATOM 294 CB LEU A 21 -0.159 -11.508 -3.810 1.00 1.71 C ATOM 295 CG LEU A 21 -0.016 -11.589 -5.328 1.00 2.00 C ATOM 296 CD1 LEU A 21 -0.800 -12.793 -5.849 1.00 2.05 C ATOM 297 CD2 LEU A 21 -0.570 -10.308 -5.952 1.00 2.10 C ATOM 0 H LEU A 21 1.919 -12.641 -3.390 1.00 2.44 H new ATOM 0 HA LEU A 21 1.271 -9.873 -3.880 1.00 1.97 H new ATOM 0 HB2 LEU A 21 -0.179 -12.510 -3.381 1.00 1.71 H new ATOM 0 HB3 LEU A 21 -1.103 -11.030 -3.547 1.00 1.71 H new ATOM 0 HG LEU A 21 1.035 -11.701 -5.594 1.00 2.00 H new ATOM 0 HD11 LEU A 21 -0.699 -12.852 -6.933 1.00 2.05 H new ATOM 0 HD12 LEU A 21 -0.409 -13.705 -5.398 1.00 2.05 H new ATOM 0 HD13 LEU A 21 -1.853 -12.682 -5.589 1.00 2.05 H new ATOM 0 HD21 LEU A 21 -0.471 -10.359 -7.036 1.00 2.10 H new ATOM 0 HD22 LEU A 21 -1.622 -10.200 -5.688 1.00 2.10 H new ATOM 0 HD23 LEU A 21 -0.012 -9.450 -5.577 1.00 2.10 H new ATOM 309 N ILE A 22 0.493 -10.986 -0.863 1.00 2.17 N ATOM 310 CA ILE A 22 0.184 -10.482 0.518 1.00 2.49 C ATOM 311 C ILE A 22 1.283 -9.511 0.963 1.00 2.76 C ATOM 312 O ILE A 22 1.010 -8.460 1.514 1.00 2.81 O ATOM 313 CB ILE A 22 0.149 -11.728 1.423 1.00 2.94 C ATOM 314 CG1 ILE A 22 -1.185 -12.458 1.233 1.00 2.84 C ATOM 315 CG2 ILE A 22 0.283 -11.319 2.896 1.00 3.53 C ATOM 316 CD1 ILE A 22 -1.068 -13.885 1.775 1.00 3.24 C ATOM 0 H ILE A 22 0.551 -12.000 -0.952 1.00 2.17 H new ATOM 0 HA ILE A 22 -0.763 -9.944 0.562 1.00 2.49 H new ATOM 0 HB ILE A 22 0.978 -12.381 1.152 1.00 2.94 H new ATOM 0 HG12 ILE A 22 -1.981 -11.924 1.753 1.00 2.84 H new ATOM 0 HG13 ILE A 22 -1.453 -12.480 0.177 1.00 2.84 H new ATOM 0 HG21 ILE A 22 0.257 -12.209 3.525 1.00 3.53 H new ATOM 0 HG22 ILE A 22 1.229 -10.798 3.044 1.00 3.53 H new ATOM 0 HG23 ILE A 22 -0.541 -10.659 3.167 1.00 3.53 H new ATOM 0 HD11 ILE A 22 -2.017 -14.404 1.640 1.00 3.24 H new ATOM 0 HD12 ILE A 22 -0.284 -14.416 1.236 1.00 3.24 H new ATOM 0 HD13 ILE A 22 -0.820 -13.852 2.836 1.00 3.24 H new ATOM 328 N ALA A 23 2.521 -9.847 0.709 1.00 3.03 N ATOM 329 CA ALA A 23 3.638 -8.937 1.102 1.00 3.41 C ATOM 330 C ALA A 23 3.577 -7.643 0.280 1.00 3.06 C ATOM 331 O ALA A 23 3.695 -6.560 0.818 1.00 3.14 O ATOM 332 CB ALA A 23 4.924 -9.713 0.806 1.00 3.86 C ATOM 0 H ALA A 23 2.807 -10.711 0.247 1.00 3.03 H new ATOM 0 HA ALA A 23 3.583 -8.648 2.152 1.00 3.41 H new ATOM 0 HB1 ALA A 23 5.787 -9.102 1.072 1.00 3.86 H new ATOM 0 HB2 ALA A 23 4.937 -10.633 1.391 1.00 3.86 H new ATOM 0 HB3 ALA A 23 4.965 -9.957 -0.255 1.00 3.86 H new ATOM 338 N ILE A 24 3.376 -7.742 -1.013 1.00 2.76 N ATOM 339 CA ILE A 24 3.286 -6.507 -1.856 1.00 2.53 C ATOM 340 C ILE A 24 2.109 -5.649 -1.373 1.00 2.11 C ATOM 341 O ILE A 24 2.234 -4.451 -1.196 1.00 2.10 O ATOM 342 CB ILE A 24 3.054 -7.004 -3.290 1.00 2.45 C ATOM 343 CG1 ILE A 24 4.355 -7.584 -3.852 1.00 3.07 C ATOM 344 CG2 ILE A 24 2.604 -5.841 -4.180 1.00 2.37 C ATOM 345 CD1 ILE A 24 4.023 -8.560 -4.983 1.00 3.09 C ATOM 0 H ILE A 24 3.271 -8.621 -1.519 1.00 2.76 H new ATOM 0 HA ILE A 24 4.183 -5.891 -1.797 1.00 2.53 H new ATOM 0 HB ILE A 24 2.282 -7.773 -3.275 1.00 2.45 H new ATOM 0 HG12 ILE A 24 4.994 -6.783 -4.223 1.00 3.07 H new ATOM 0 HG13 ILE A 24 4.909 -8.095 -3.065 1.00 3.07 H new ATOM 0 HG21 ILE A 24 2.442 -6.202 -5.196 1.00 2.37 H new ATOM 0 HG22 ILE A 24 1.676 -5.423 -3.791 1.00 2.37 H new ATOM 0 HG23 ILE A 24 3.374 -5.070 -4.188 1.00 2.37 H new ATOM 0 HD11 ILE A 24 4.946 -8.976 -5.387 1.00 3.09 H new ATOM 0 HD12 ILE A 24 3.400 -9.367 -4.596 1.00 3.09 H new ATOM 0 HD13 ILE A 24 3.486 -8.033 -5.772 1.00 3.09 H new ATOM 357 N ALA A 25 0.972 -6.260 -1.137 1.00 1.89 N ATOM 358 CA ALA A 25 -0.203 -5.486 -0.642 1.00 1.77 C ATOM 359 C ALA A 25 0.110 -4.909 0.738 1.00 2.21 C ATOM 360 O ALA A 25 -0.172 -3.761 1.021 1.00 2.23 O ATOM 361 CB ALA A 25 -1.355 -6.490 -0.572 1.00 1.81 C ATOM 0 H ALA A 25 0.810 -7.259 -1.266 1.00 1.89 H new ATOM 0 HA ALA A 25 -0.455 -4.647 -1.291 1.00 1.77 H new ATOM 0 HB1 ALA A 25 -2.254 -5.988 -0.214 1.00 1.81 H new ATOM 0 HB2 ALA A 25 -1.540 -6.902 -1.564 1.00 1.81 H new ATOM 0 HB3 ALA A 25 -1.093 -7.297 0.113 1.00 1.81 H new ATOM 367 N ALA A 26 0.717 -5.691 1.592 1.00 2.64 N ATOM 368 CA ALA A 26 1.076 -5.180 2.947 1.00 3.18 C ATOM 369 C ALA A 26 2.095 -4.044 2.803 1.00 3.19 C ATOM 370 O ALA A 26 1.981 -3.016 3.442 1.00 3.35 O ATOM 371 CB ALA A 26 1.675 -6.378 3.687 1.00 3.65 C ATOM 0 H ALA A 26 0.979 -6.660 1.410 1.00 2.64 H new ATOM 0 HA ALA A 26 0.221 -4.777 3.490 1.00 3.18 H new ATOM 0 HB1 ALA A 26 1.963 -6.077 4.694 1.00 3.65 H new ATOM 0 HB2 ALA A 26 0.936 -7.177 3.745 1.00 3.65 H new ATOM 0 HB3 ALA A 26 2.554 -6.735 3.150 1.00 3.65 H new ATOM 377 N LEU A 27 3.066 -4.207 1.935 1.00 3.10 N ATOM 378 CA LEU A 27 4.065 -3.123 1.714 1.00 3.22 C ATOM 379 C LEU A 27 3.335 -1.897 1.159 1.00 2.77 C ATOM 380 O LEU A 27 3.526 -0.787 1.621 1.00 2.89 O ATOM 381 CB LEU A 27 5.054 -3.689 0.682 1.00 3.35 C ATOM 382 CG LEU A 27 5.892 -2.553 0.084 1.00 3.46 C ATOM 383 CD1 LEU A 27 7.374 -2.932 0.107 1.00 4.13 C ATOM 384 CD2 LEU A 27 5.457 -2.303 -1.363 1.00 3.22 C ATOM 0 H LEU A 27 3.206 -5.046 1.372 1.00 3.10 H new ATOM 0 HA LEU A 27 4.583 -2.820 2.624 1.00 3.22 H new ATOM 0 HB2 LEU A 27 5.706 -4.423 1.155 1.00 3.35 H new ATOM 0 HB3 LEU A 27 4.511 -4.207 -0.109 1.00 3.35 H new ATOM 0 HG LEU A 27 5.741 -1.650 0.675 1.00 3.46 H new ATOM 0 HD11 LEU A 27 7.964 -2.120 -0.319 1.00 4.13 H new ATOM 0 HD12 LEU A 27 7.689 -3.108 1.136 1.00 4.13 H new ATOM 0 HD13 LEU A 27 7.527 -3.838 -0.479 1.00 4.13 H new ATOM 0 HD21 LEU A 27 6.053 -1.495 -1.788 1.00 3.22 H new ATOM 0 HD22 LEU A 27 5.605 -3.210 -1.949 1.00 3.22 H new ATOM 0 HD23 LEU A 27 4.403 -2.026 -1.383 1.00 3.22 H new ATOM 396 N GLY A 28 2.476 -2.098 0.185 1.00 2.30 N ATOM 397 CA GLY A 28 1.707 -0.955 -0.384 1.00 1.96 C ATOM 398 C GLY A 28 0.900 -0.310 0.739 1.00 2.10 C ATOM 399 O GLY A 28 0.914 0.891 0.911 1.00 2.12 O ATOM 0 H GLY A 28 2.278 -3.005 -0.237 1.00 2.30 H new ATOM 0 HA2 GLY A 28 2.384 -0.227 -0.830 1.00 1.96 H new ATOM 0 HA3 GLY A 28 1.044 -1.301 -1.177 1.00 1.96 H new ATOM 403 N ALA A 29 0.214 -1.106 1.522 1.00 2.35 N ATOM 404 CA ALA A 29 -0.581 -0.544 2.654 1.00 2.77 C ATOM 405 C ALA A 29 0.341 0.185 3.638 1.00 3.11 C ATOM 406 O ALA A 29 0.052 1.286 4.072 1.00 3.25 O ATOM 407 CB ALA A 29 -1.247 -1.756 3.311 1.00 3.12 C ATOM 0 H ALA A 29 0.171 -2.120 1.425 1.00 2.35 H new ATOM 0 HA ALA A 29 -1.319 0.187 2.324 1.00 2.77 H new ATOM 0 HB1 ALA A 29 -1.852 -1.426 4.155 1.00 3.12 H new ATOM 0 HB2 ALA A 29 -1.884 -2.260 2.584 1.00 3.12 H new ATOM 0 HB3 ALA A 29 -0.480 -2.447 3.662 1.00 3.12 H new ATOM 413 N LEU A 30 1.454 -0.411 3.977 1.00 3.33 N ATOM 414 CA LEU A 30 2.404 0.256 4.920 1.00 3.77 C ATOM 415 C LEU A 30 2.935 1.554 4.289 1.00 3.50 C ATOM 416 O LEU A 30 3.095 2.553 4.961 1.00 3.71 O ATOM 417 CB LEU A 30 3.515 -0.787 5.191 1.00 4.13 C ATOM 418 CG LEU A 30 4.832 -0.416 4.492 1.00 4.14 C ATOM 419 CD1 LEU A 30 5.569 0.656 5.301 1.00 4.50 C ATOM 420 CD2 LEU A 30 5.710 -1.667 4.392 1.00 4.46 C ATOM 0 H LEU A 30 1.747 -1.329 3.643 1.00 3.33 H new ATOM 0 HA LEU A 30 1.940 0.555 5.860 1.00 3.77 H new ATOM 0 HB2 LEU A 30 3.684 -0.867 6.265 1.00 4.13 H new ATOM 0 HB3 LEU A 30 3.185 -1.767 4.847 1.00 4.13 H new ATOM 0 HG LEU A 30 4.618 -0.027 3.496 1.00 4.14 H new ATOM 0 HD11 LEU A 30 6.502 0.914 4.799 1.00 4.50 H new ATOM 0 HD12 LEU A 30 4.943 1.545 5.382 1.00 4.50 H new ATOM 0 HD13 LEU A 30 5.787 0.273 6.298 1.00 4.50 H new ATOM 0 HD21 LEU A 30 6.648 -1.415 3.897 1.00 4.46 H new ATOM 0 HD22 LEU A 30 5.918 -2.046 5.392 1.00 4.46 H new ATOM 0 HD23 LEU A 30 5.190 -2.432 3.815 1.00 4.46 H new ATOM 432 N ILE A 31 3.174 1.560 2.998 1.00 3.06 N ATOM 433 CA ILE A 31 3.661 2.811 2.332 1.00 2.87 C ATOM 434 C ILE A 31 2.519 3.831 2.280 1.00 2.62 C ATOM 435 O ILE A 31 2.684 4.986 2.628 1.00 2.73 O ATOM 436 CB ILE A 31 4.079 2.385 0.919 1.00 2.62 C ATOM 437 CG1 ILE A 31 5.414 1.645 0.986 1.00 3.10 C ATOM 438 CG2 ILE A 31 4.236 3.617 0.020 1.00 2.48 C ATOM 439 CD1 ILE A 31 5.652 0.918 -0.337 1.00 3.04 C ATOM 0 H ILE A 31 3.054 0.758 2.380 1.00 3.06 H new ATOM 0 HA ILE A 31 4.491 3.276 2.863 1.00 2.87 H new ATOM 0 HB ILE A 31 3.310 1.733 0.505 1.00 2.62 H new ATOM 0 HG12 ILE A 31 6.224 2.348 1.179 1.00 3.10 H new ATOM 0 HG13 ILE A 31 5.407 0.932 1.811 1.00 3.10 H new ATOM 0 HG21 ILE A 31 4.533 3.302 -0.980 1.00 2.48 H new ATOM 0 HG22 ILE A 31 3.287 4.151 -0.034 1.00 2.48 H new ATOM 0 HG23 ILE A 31 5.000 4.275 0.435 1.00 2.48 H new ATOM 0 HD11 ILE A 31 6.604 0.388 -0.295 1.00 3.04 H new ATOM 0 HD12 ILE A 31 4.847 0.204 -0.510 1.00 3.04 H new ATOM 0 HD13 ILE A 31 5.676 1.642 -1.151 1.00 3.04 H new ATOM 451 N LEU A 32 1.357 3.396 1.861 1.00 2.41 N ATOM 452 CA LEU A 32 0.177 4.309 1.792 1.00 2.42 C ATOM 453 C LEU A 32 -0.099 4.902 3.183 1.00 2.90 C ATOM 454 O LEU A 32 -0.235 6.105 3.343 1.00 3.00 O ATOM 455 CB LEU A 32 -0.984 3.411 1.331 1.00 2.42 C ATOM 456 CG LEU A 32 -1.187 3.537 -0.186 1.00 2.18 C ATOM 457 CD1 LEU A 32 0.043 3.020 -0.938 1.00 1.90 C ATOM 458 CD2 LEU A 32 -2.409 2.716 -0.599 1.00 2.47 C ATOM 0 H LEU A 32 1.175 2.438 1.561 1.00 2.41 H new ATOM 0 HA LEU A 32 0.327 5.150 1.115 1.00 2.42 H new ATOM 0 HB2 LEU A 32 -0.775 2.373 1.592 1.00 2.42 H new ATOM 0 HB3 LEU A 32 -1.899 3.693 1.852 1.00 2.42 H new ATOM 0 HG LEU A 32 -1.336 4.588 -0.435 1.00 2.18 H new ATOM 0 HD11 LEU A 32 -0.119 3.117 -2.011 1.00 1.90 H new ATOM 0 HD12 LEU A 32 0.918 3.603 -0.649 1.00 1.90 H new ATOM 0 HD13 LEU A 32 0.207 1.972 -0.689 1.00 1.90 H new ATOM 0 HD21 LEU A 32 -2.558 2.802 -1.675 1.00 2.47 H new ATOM 0 HD22 LEU A 32 -2.250 1.670 -0.337 1.00 2.47 H new ATOM 0 HD23 LEU A 32 -3.291 3.090 -0.080 1.00 2.47 H new ATOM 470 N GLY A 33 -0.165 4.062 4.194 1.00 3.27 N ATOM 471 CA GLY A 33 -0.420 4.560 5.584 1.00 3.84 C ATOM 472 C GLY A 33 0.775 5.383 6.079 1.00 3.93 C ATOM 473 O GLY A 33 0.605 6.450 6.635 1.00 4.16 O ATOM 0 H GLY A 33 -0.053 3.051 4.114 1.00 3.27 H new ATOM 0 HA2 GLY A 33 -1.323 5.171 5.599 1.00 3.84 H new ATOM 0 HA3 GLY A 33 -0.593 3.718 6.254 1.00 3.84 H new ATOM 988 N GLN A 66 7.617 28.915 -10.300 1.00 1.19 N ATOM 989 CA GLN A 66 8.852 28.204 -9.861 1.00 1.29 C ATOM 990 C GLN A 66 8.835 26.791 -10.429 1.00 1.45 C ATOM 991 O GLN A 66 9.760 26.366 -11.075 1.00 1.45 O ATOM 992 CB GLN A 66 8.792 28.179 -8.328 1.00 1.51 C ATOM 993 CG GLN A 66 10.014 28.903 -7.748 1.00 1.40 C ATOM 994 CD GLN A 66 11.137 27.902 -7.475 1.00 1.75 C ATOM 995 OE1 GLN A 66 12.195 27.983 -8.068 1.00 1.77 O ATOM 996 NE2 GLN A 66 10.955 26.955 -6.603 1.00 2.17 N ATOM 0 HA GLN A 66 9.765 28.690 -10.206 1.00 1.29 H new ATOM 0 HB2 GLN A 66 7.876 28.659 -7.983 1.00 1.51 H new ATOM 0 HB3 GLN A 66 8.766 27.149 -7.973 1.00 1.51 H new ATOM 0 HG2 GLN A 66 10.359 29.667 -8.445 1.00 1.40 H new ATOM 0 HG3 GLN A 66 9.740 29.414 -6.825 1.00 1.40 H new ATOM 0 HE21 GLN A 66 10.068 26.885 -6.104 1.00 2.17 H new ATOM 0 HE22 GLN A 66 11.699 26.282 -6.418 1.00 2.17 H new ATOM 1005 N TYR A 67 7.771 26.079 -10.222 1.00 1.68 N ATOM 1006 CA TYR A 67 7.675 24.700 -10.777 1.00 1.87 C ATOM 1007 C TYR A 67 7.583 24.759 -12.302 1.00 1.70 C ATOM 1008 O TYR A 67 8.292 24.057 -12.997 1.00 1.73 O ATOM 1009 CB TYR A 67 6.409 24.100 -10.166 1.00 2.11 C ATOM 1010 CG TYR A 67 6.564 22.601 -10.106 1.00 2.26 C ATOM 1011 CD1 TYR A 67 7.419 22.027 -9.161 1.00 2.81 C ATOM 1012 CD2 TYR A 67 5.875 21.790 -11.012 1.00 2.38 C ATOM 1013 CE1 TYR A 67 7.580 20.637 -9.116 1.00 3.16 C ATOM 1014 CE2 TYR A 67 6.039 20.400 -10.971 1.00 2.85 C ATOM 1015 CZ TYR A 67 6.894 19.826 -10.024 1.00 3.11 C ATOM 1016 OH TYR A 67 7.061 18.454 -9.988 1.00 3.68 O ATOM 0 H TYR A 67 6.958 26.390 -9.691 1.00 1.68 H new ATOM 0 HA TYR A 67 8.549 24.094 -10.538 1.00 1.87 H new ATOM 0 HB2 TYR A 67 6.244 24.503 -9.167 1.00 2.11 H new ATOM 0 HB3 TYR A 67 5.538 24.366 -10.765 1.00 2.11 H new ATOM 0 HD1 TYR A 67 7.955 22.656 -8.466 1.00 2.81 H new ATOM 0 HD2 TYR A 67 5.217 22.235 -11.743 1.00 2.38 H new ATOM 0 HE1 TYR A 67 8.234 20.192 -8.380 1.00 3.16 H new ATOM 0 HE2 TYR A 67 5.506 19.772 -11.669 1.00 2.85 H new ATOM 0 HH TYR A 67 6.512 18.039 -10.686 1.00 3.68 H new ATOM 1026 N SER A 68 6.728 25.601 -12.827 1.00 1.58 N ATOM 1027 CA SER A 68 6.611 25.711 -14.320 1.00 1.47 C ATOM 1028 C SER A 68 7.982 26.017 -14.937 1.00 1.26 C ATOM 1029 O SER A 68 8.284 25.568 -16.018 1.00 1.27 O ATOM 1030 CB SER A 68 5.635 26.857 -14.599 1.00 1.46 C ATOM 1031 OG SER A 68 4.336 26.490 -14.152 1.00 1.76 O ATOM 0 H SER A 68 6.110 26.213 -12.295 1.00 1.58 H new ATOM 0 HA SER A 68 6.255 24.778 -14.757 1.00 1.47 H new ATOM 0 HB2 SER A 68 5.965 27.762 -14.089 1.00 1.46 H new ATOM 0 HB3 SER A 68 5.615 27.081 -15.666 1.00 1.46 H new ATOM 0 HG SER A 68 3.710 27.223 -14.328 1.00 1.76 H new ATOM 1037 N ALA A 69 8.813 26.777 -14.259 1.00 1.15 N ATOM 1038 CA ALA A 69 10.165 27.096 -14.818 1.00 1.10 C ATOM 1039 C ALA A 69 11.190 26.024 -14.415 1.00 1.30 C ATOM 1040 O ALA A 69 11.955 25.550 -15.230 1.00 1.40 O ATOM 1041 CB ALA A 69 10.541 28.453 -14.216 1.00 1.07 C ATOM 0 H ALA A 69 8.613 27.188 -13.347 1.00 1.15 H new ATOM 0 HA ALA A 69 10.155 27.122 -15.908 1.00 1.10 H new ATOM 0 HB1 ALA A 69 11.523 28.753 -14.581 1.00 1.07 H new ATOM 0 HB2 ALA A 69 9.801 29.198 -14.509 1.00 1.07 H new ATOM 0 HB3 ALA A 69 10.566 28.374 -13.129 1.00 1.07 H new ATOM 1047 N LYS A 70 11.207 25.646 -13.165 1.00 1.43 N ATOM 1048 CA LYS A 70 12.186 24.607 -12.691 1.00 1.70 C ATOM 1049 C LYS A 70 11.911 23.259 -13.358 1.00 1.85 C ATOM 1050 O LYS A 70 12.823 22.557 -13.734 1.00 2.03 O ATOM 1051 CB LYS A 70 11.992 24.492 -11.172 1.00 1.83 C ATOM 1052 CG LYS A 70 12.273 25.839 -10.498 1.00 1.72 C ATOM 1053 CD LYS A 70 13.775 26.009 -10.265 1.00 1.88 C ATOM 1054 CE LYS A 70 14.175 27.459 -10.559 1.00 1.80 C ATOM 1055 NZ LYS A 70 14.278 28.117 -9.223 1.00 1.84 N ATOM 0 H LYS A 70 10.585 26.010 -12.443 1.00 1.43 H new ATOM 0 HA LYS A 70 13.207 24.891 -12.945 1.00 1.70 H new ATOM 0 HB2 LYS A 70 10.973 24.172 -10.952 1.00 1.83 H new ATOM 0 HB3 LYS A 70 12.659 23.730 -10.770 1.00 1.83 H new ATOM 0 HG2 LYS A 70 11.900 26.651 -11.122 1.00 1.72 H new ATOM 0 HG3 LYS A 70 11.741 25.897 -9.548 1.00 1.72 H new ATOM 0 HD2 LYS A 70 14.026 25.753 -9.236 1.00 1.88 H new ATOM 0 HD3 LYS A 70 14.333 25.329 -10.908 1.00 1.88 H new ATOM 0 HE2 LYS A 70 15.123 27.505 -11.094 1.00 1.80 H new ATOM 0 HE3 LYS A 70 13.432 27.953 -11.185 1.00 1.80 H new ATOM 0 HZ1 LYS A 70 14.630 29.088 -9.341 1.00 1.84 H new ATOM 0 HZ2 LYS A 70 13.340 28.141 -8.775 1.00 1.84 H new ATOM 0 HZ3 LYS A 70 14.936 27.581 -8.622 1.00 1.84 H new ATOM 1069 N GLY A 71 10.664 22.903 -13.508 1.00 1.84 N ATOM 1070 CA GLY A 71 10.308 21.594 -14.160 1.00 2.01 C ATOM 1071 C GLY A 71 11.116 21.414 -15.451 1.00 1.95 C ATOM 1072 O GLY A 71 11.941 20.523 -15.539 1.00 2.17 O ATOM 0 H GLY A 71 9.866 23.462 -13.207 1.00 1.84 H new ATOM 0 HA2 GLY A 71 10.512 20.770 -13.476 1.00 2.01 H new ATOM 0 HA3 GLY A 71 9.241 21.567 -14.382 1.00 2.01 H new ATOM 1076 N PRO A 72 10.867 22.275 -16.412 1.00 1.69 N ATOM 1077 CA PRO A 72 11.604 22.211 -17.702 1.00 1.66 C ATOM 1078 C PRO A 72 13.086 22.547 -17.488 1.00 1.79 C ATOM 1079 O PRO A 72 13.949 21.936 -18.088 1.00 1.98 O ATOM 1080 CB PRO A 72 10.905 23.255 -18.573 1.00 1.39 C ATOM 1081 CG PRO A 72 10.283 24.200 -17.601 1.00 1.28 C ATOM 1082 CD PRO A 72 9.900 23.380 -16.396 1.00 1.47 C ATOM 0 HA PRO A 72 11.591 21.222 -18.160 1.00 1.66 H new ATOM 0 HB2 PRO A 72 11.613 23.766 -19.225 1.00 1.39 H new ATOM 0 HB3 PRO A 72 10.154 22.796 -19.216 1.00 1.39 H new ATOM 0 HG2 PRO A 72 10.981 24.991 -17.327 1.00 1.28 H new ATOM 0 HG3 PRO A 72 9.408 24.684 -18.035 1.00 1.28 H new ATOM 0 HD2 PRO A 72 9.970 23.961 -15.476 1.00 1.47 H new ATOM 0 HD3 PRO A 72 8.875 23.017 -16.467 1.00 1.47 H new ATOM 1090 N CYS A 73 13.399 23.487 -16.624 1.00 1.76 N ATOM 1091 CA CYS A 73 14.842 23.809 -16.377 1.00 1.97 C ATOM 1092 C CYS A 73 15.544 22.579 -15.792 1.00 2.27 C ATOM 1093 O CYS A 73 16.635 22.222 -16.195 1.00 2.49 O ATOM 1094 CB CYS A 73 14.849 24.971 -15.382 1.00 1.89 C ATOM 1095 SG CYS A 73 16.423 25.858 -15.505 1.00 2.24 S ATOM 0 H CYS A 73 12.729 24.037 -16.087 1.00 1.76 H new ATOM 0 HA CYS A 73 15.369 24.081 -17.292 1.00 1.97 H new ATOM 0 HB2 CYS A 73 14.020 25.648 -15.590 1.00 1.89 H new ATOM 0 HB3 CYS A 73 14.708 24.597 -14.368 1.00 1.89 H new ATOM 0 HG CYS A 73 16.431 26.848 -14.662 1.00 2.24 H new ATOM 1101 N VAL A 74 14.903 21.913 -14.869 1.00 2.32 N ATOM 1102 CA VAL A 74 15.497 20.681 -14.268 1.00 2.65 C ATOM 1103 C VAL A 74 15.505 19.571 -15.314 1.00 2.76 C ATOM 1104 O VAL A 74 16.492 18.889 -15.492 1.00 2.99 O ATOM 1105 CB VAL A 74 14.597 20.319 -13.077 1.00 2.70 C ATOM 1106 CG1 VAL A 74 14.894 18.890 -12.614 1.00 3.05 C ATOM 1107 CG2 VAL A 74 14.867 21.284 -11.919 1.00 2.70 C ATOM 0 H VAL A 74 13.987 22.171 -14.502 1.00 2.32 H new ATOM 0 HA VAL A 74 16.526 20.827 -13.939 1.00 2.65 H new ATOM 0 HB VAL A 74 13.554 20.393 -13.386 1.00 2.70 H new ATOM 0 HG11 VAL A 74 14.252 18.640 -11.769 1.00 3.05 H new ATOM 0 HG12 VAL A 74 14.703 18.195 -13.432 1.00 3.05 H new ATOM 0 HG13 VAL A 74 15.938 18.815 -12.311 1.00 3.05 H new ATOM 0 HG21 VAL A 74 14.228 21.027 -11.074 1.00 2.70 H new ATOM 0 HG22 VAL A 74 15.912 21.209 -11.619 1.00 2.70 H new ATOM 0 HG23 VAL A 74 14.653 22.304 -12.238 1.00 2.70 H new ATOM 1117 N GLU A 75 14.423 19.406 -16.026 1.00 2.61 N ATOM 1118 CA GLU A 75 14.378 18.357 -17.094 1.00 2.72 C ATOM 1119 C GLU A 75 15.484 18.643 -18.118 1.00 2.76 C ATOM 1120 O GLU A 75 16.192 17.756 -18.554 1.00 2.98 O ATOM 1121 CB GLU A 75 12.964 18.466 -17.703 1.00 2.51 C ATOM 1122 CG GLU A 75 13.009 18.644 -19.236 1.00 2.37 C ATOM 1123 CD GLU A 75 13.377 17.328 -19.943 1.00 2.62 C ATOM 1124 OE1 GLU A 75 13.414 16.291 -19.292 1.00 2.87 O ATOM 1125 OE2 GLU A 75 13.617 17.383 -21.139 1.00 2.62 O ATOM 0 H GLU A 75 13.567 19.950 -15.917 1.00 2.61 H new ATOM 0 HA GLU A 75 14.552 17.346 -16.726 1.00 2.72 H new ATOM 0 HB2 GLU A 75 12.393 17.570 -17.458 1.00 2.51 H new ATOM 0 HB3 GLU A 75 12.440 19.310 -17.255 1.00 2.51 H new ATOM 0 HG2 GLU A 75 12.039 18.991 -19.592 1.00 2.37 H new ATOM 0 HG3 GLU A 75 13.737 19.413 -19.493 1.00 2.37 H new ATOM 1132 N ARG A 76 15.651 19.887 -18.471 1.00 2.57 N ATOM 1133 CA ARG A 76 16.722 20.263 -19.442 1.00 2.66 C ATOM 1134 C ARG A 76 18.093 19.953 -18.839 1.00 2.98 C ATOM 1135 O ARG A 76 18.897 19.260 -19.434 1.00 3.21 O ATOM 1136 CB ARG A 76 16.556 21.770 -19.676 1.00 2.44 C ATOM 1137 CG ARG A 76 15.865 22.006 -21.023 1.00 2.31 C ATOM 1138 CD ARG A 76 16.752 21.468 -22.151 1.00 2.53 C ATOM 1139 NE ARG A 76 15.843 20.657 -23.024 1.00 2.45 N ATOM 1140 CZ ARG A 76 15.207 19.633 -22.542 1.00 2.45 C ATOM 1141 NH1 ARG A 76 15.831 18.523 -22.323 1.00 2.70 N ATOM 1142 NH2 ARG A 76 13.942 19.714 -22.288 1.00 2.29 N ATOM 0 H ARG A 76 15.089 20.666 -18.128 1.00 2.57 H new ATOM 0 HA ARG A 76 16.647 19.709 -20.378 1.00 2.66 H new ATOM 0 HB2 ARG A 76 15.968 22.211 -18.871 1.00 2.44 H new ATOM 0 HB3 ARG A 76 17.530 22.260 -19.664 1.00 2.44 H new ATOM 0 HG2 ARG A 76 14.895 21.508 -21.039 1.00 2.31 H new ATOM 0 HG3 ARG A 76 15.679 23.070 -21.168 1.00 2.31 H new ATOM 0 HD2 ARG A 76 17.211 22.282 -22.712 1.00 2.53 H new ATOM 0 HD3 ARG A 76 17.563 20.857 -21.755 1.00 2.53 H new ATOM 0 HE ARG A 76 15.723 20.912 -24.004 1.00 2.45 H new ATOM 0 HH11 ARG A 76 16.827 18.449 -22.529 1.00 2.70 H new ATOM 0 HH12 ARG A 76 15.327 17.721 -21.944 1.00 2.70 H new ATOM 0 HH21 ARG A 76 13.441 20.584 -22.466 1.00 2.29 H new ATOM 0 HH22 ARG A 76 13.445 18.908 -21.909 1.00 2.29 H new ATOM 1156 N LYS A 77 18.355 20.448 -17.655 1.00 3.01 N ATOM 1157 CA LYS A 77 19.668 20.172 -16.992 1.00 3.34 C ATOM 1158 C LYS A 77 19.860 18.659 -16.820 1.00 3.59 C ATOM 1159 O LYS A 77 20.890 18.112 -17.157 1.00 3.88 O ATOM 1160 CB LYS A 77 19.585 20.865 -15.624 1.00 3.30 C ATOM 1161 CG LYS A 77 20.070 22.312 -15.750 1.00 3.28 C ATOM 1162 CD LYS A 77 21.581 22.365 -15.496 1.00 3.42 C ATOM 1163 CE LYS A 77 22.212 23.487 -16.328 1.00 3.48 C ATOM 1164 NZ LYS A 77 23.387 22.851 -16.992 1.00 3.41 N ATOM 0 H LYS A 77 17.715 21.033 -17.117 1.00 3.01 H new ATOM 0 HA LYS A 77 20.511 20.538 -17.578 1.00 3.34 H new ATOM 0 HB2 LYS A 77 18.559 20.846 -15.257 1.00 3.30 H new ATOM 0 HB3 LYS A 77 20.194 20.329 -14.896 1.00 3.30 H new ATOM 0 HG2 LYS A 77 19.843 22.698 -16.744 1.00 3.28 H new ATOM 0 HG3 LYS A 77 19.547 22.946 -15.034 1.00 3.28 H new ATOM 0 HD2 LYS A 77 21.775 22.533 -14.437 1.00 3.42 H new ATOM 0 HD3 LYS A 77 22.036 21.409 -15.755 1.00 3.42 H new ATOM 0 HE2 LYS A 77 21.508 23.880 -17.061 1.00 3.48 H new ATOM 0 HE3 LYS A 77 22.517 24.323 -15.699 1.00 3.48 H new ATOM 0 HZ1 LYS A 77 23.875 23.555 -17.582 1.00 3.41 H new ATOM 0 HZ2 LYS A 77 24.042 22.492 -16.269 1.00 3.41 H new ATOM 0 HZ3 LYS A 77 23.064 22.063 -17.589 1.00 3.41 H new ATOM 1178 N ALA A 78 18.863 17.992 -16.310 1.00 3.53 N ATOM 1179 CA ALA A 78 18.947 16.510 -16.109 1.00 3.82 C ATOM 1180 C ALA A 78 19.168 15.793 -17.442 1.00 3.90 C ATOM 1181 O ALA A 78 19.986 14.899 -17.548 1.00 4.19 O ATOM 1182 CB ALA A 78 17.603 16.114 -15.494 1.00 3.72 C ATOM 0 H ALA A 78 17.980 18.412 -16.019 1.00 3.53 H new ATOM 0 HA ALA A 78 19.784 16.232 -15.469 1.00 3.82 H new ATOM 0 HB1 ALA A 78 17.587 15.039 -15.317 1.00 3.72 H new ATOM 0 HB2 ALA A 78 17.466 16.640 -14.549 1.00 3.72 H new ATOM 0 HB3 ALA A 78 16.797 16.381 -16.178 1.00 3.72 H new ATOM 1188 N LYS A 79 18.458 16.181 -18.462 1.00 3.65 N ATOM 1189 CA LYS A 79 18.648 15.528 -19.795 1.00 3.73 C ATOM 1190 C LYS A 79 20.024 15.905 -20.352 1.00 3.89 C ATOM 1191 O LYS A 79 20.744 15.073 -20.866 1.00 4.13 O ATOM 1192 CB LYS A 79 17.532 16.076 -20.684 1.00 3.41 C ATOM 1193 CG LYS A 79 16.185 15.529 -20.211 1.00 3.33 C ATOM 1194 CD LYS A 79 15.904 14.180 -20.876 1.00 3.52 C ATOM 1195 CE LYS A 79 15.031 13.332 -19.948 1.00 3.67 C ATOM 1196 NZ LYS A 79 13.666 13.937 -20.036 1.00 3.39 N ATOM 0 H LYS A 79 17.755 16.920 -18.436 1.00 3.65 H new ATOM 0 HA LYS A 79 18.605 14.440 -19.738 1.00 3.73 H new ATOM 0 HB2 LYS A 79 17.526 17.165 -20.648 1.00 3.41 H new ATOM 0 HB3 LYS A 79 17.707 15.792 -21.722 1.00 3.41 H new ATOM 0 HG2 LYS A 79 16.190 15.415 -19.127 1.00 3.33 H new ATOM 0 HG3 LYS A 79 15.391 16.235 -20.454 1.00 3.33 H new ATOM 0 HD2 LYS A 79 15.401 14.330 -21.831 1.00 3.52 H new ATOM 0 HD3 LYS A 79 16.840 13.663 -21.087 1.00 3.52 H new ATOM 0 HE2 LYS A 79 15.020 12.288 -20.262 1.00 3.67 H new ATOM 0 HE3 LYS A 79 15.407 13.354 -18.925 1.00 3.67 H new ATOM 0 HZ1 LYS A 79 13.023 13.440 -19.387 1.00 3.39 H new ATOM 0 HZ2 LYS A 79 13.714 14.942 -19.773 1.00 3.39 H new ATOM 0 HZ3 LYS A 79 13.310 13.850 -21.009 1.00 3.39 H new ATOM 1210 N LEU A 80 20.396 17.154 -20.228 1.00 3.81 N ATOM 1211 CA LEU A 80 21.732 17.601 -20.720 1.00 4.01 C ATOM 1212 C LEU A 80 22.841 16.912 -19.914 1.00 4.37 C ATOM 1213 O LEU A 80 23.889 16.579 -20.433 1.00 4.64 O ATOM 1214 CB LEU A 80 21.741 19.117 -20.484 1.00 3.87 C ATOM 1215 CG LEU A 80 22.871 19.761 -21.287 1.00 4.09 C ATOM 1216 CD1 LEU A 80 22.305 20.349 -22.580 1.00 3.91 C ATOM 1217 CD2 LEU A 80 23.511 20.876 -20.459 1.00 4.45 C ATOM 0 H LEU A 80 19.827 17.887 -19.804 1.00 3.81 H new ATOM 0 HA LEU A 80 21.905 17.352 -21.767 1.00 4.01 H new ATOM 0 HB2 LEU A 80 20.783 19.546 -20.779 1.00 3.87 H new ATOM 0 HB3 LEU A 80 21.871 19.328 -19.423 1.00 3.87 H new ATOM 0 HG LEU A 80 23.622 19.008 -21.527 1.00 4.09 H new ATOM 0 HD11 LEU A 80 23.110 20.809 -23.154 1.00 3.91 H new ATOM 0 HD12 LEU A 80 21.846 19.556 -23.170 1.00 3.91 H new ATOM 0 HD13 LEU A 80 21.555 21.102 -22.339 1.00 3.91 H new ATOM 0 HD21 LEU A 80 24.317 21.336 -21.030 1.00 4.45 H new ATOM 0 HD22 LEU A 80 22.760 21.629 -20.220 1.00 4.45 H new ATOM 0 HD23 LEU A 80 23.913 20.459 -19.536 1.00 4.45 H new