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= -0.181 K(o=0.069,f=-2) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -173:sc= 0.25 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 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+ 150:sc= 0.786 (180deg=0.664) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 1.105 -21.408 -6.145 1.00 1.43 N ATOM 175 CA VAL A 14 -0.089 -20.597 -5.745 1.00 1.41 C ATOM 176 C VAL A 14 0.163 -19.980 -4.363 1.00 1.33 C ATOM 177 O VAL A 14 -0.150 -18.833 -4.119 1.00 1.36 O ATOM 178 CB VAL A 14 -1.256 -21.593 -5.702 1.00 1.50 C ATOM 179 CG1 VAL A 14 -2.457 -20.968 -4.985 1.00 1.66 C ATOM 180 CG2 VAL A 14 -1.663 -21.963 -7.131 1.00 1.68 C ATOM 0 HA VAL A 14 -0.298 -19.778 -6.433 1.00 1.41 H new ATOM 0 HB VAL A 14 -0.939 -22.485 -5.162 1.00 1.50 H new ATOM 0 HG11 VAL A 14 -3.279 -21.684 -4.960 1.00 1.66 H new ATOM 0 HG12 VAL A 14 -2.175 -20.704 -3.966 1.00 1.66 H new ATOM 0 HG13 VAL A 14 -2.773 -20.071 -5.518 1.00 1.66 H new ATOM 0 HG21 VAL A 14 -2.492 -22.670 -7.102 1.00 1.68 H new ATOM 0 HG22 VAL A 14 -1.971 -21.065 -7.666 1.00 1.68 H new ATOM 0 HG23 VAL A 14 -0.816 -22.418 -7.644 1.00 1.68 H new ATOM 190 N VAL A 15 0.759 -20.726 -3.468 1.00 1.35 N ATOM 191 CA VAL A 15 1.064 -20.175 -2.112 1.00 1.43 C ATOM 192 C VAL A 15 2.187 -19.141 -2.236 1.00 1.42 C ATOM 193 O VAL A 15 2.140 -18.080 -1.644 1.00 1.43 O ATOM 194 CB VAL A 15 1.501 -21.382 -1.265 1.00 1.62 C ATOM 195 CG1 VAL A 15 2.183 -20.904 0.021 1.00 1.84 C ATOM 196 CG2 VAL A 15 0.273 -22.219 -0.891 1.00 1.74 C ATOM 0 H VAL A 15 1.048 -21.693 -3.617 1.00 1.35 H new ATOM 0 HA VAL A 15 0.211 -19.674 -1.654 1.00 1.43 H new ATOM 0 HB VAL A 15 2.200 -21.983 -1.846 1.00 1.62 H new ATOM 0 HG11 VAL A 15 2.488 -21.767 0.613 1.00 1.84 H new ATOM 0 HG12 VAL A 15 3.060 -20.309 -0.232 1.00 1.84 H new ATOM 0 HG13 VAL A 15 1.486 -20.296 0.598 1.00 1.84 H new ATOM 0 HG21 VAL A 15 0.584 -23.074 -0.291 1.00 1.74 H new ATOM 0 HG22 VAL A 15 -0.423 -21.607 -0.317 1.00 1.74 H new ATOM 0 HG23 VAL A 15 -0.217 -22.572 -1.798 1.00 1.74 H new ATOM 206 N THR A 16 3.186 -19.440 -3.021 1.00 1.48 N ATOM 207 CA THR A 16 4.314 -18.475 -3.211 1.00 1.59 C ATOM 208 C THR A 16 3.780 -17.146 -3.748 1.00 1.51 C ATOM 209 O THR A 16 4.128 -16.086 -3.261 1.00 1.57 O ATOM 210 CB THR A 16 5.263 -19.132 -4.223 1.00 1.76 C ATOM 211 OG1 THR A 16 5.819 -20.308 -3.655 1.00 1.91 O ATOM 212 CG2 THR A 16 6.400 -18.170 -4.574 1.00 1.97 C ATOM 0 H THR A 16 3.273 -20.313 -3.542 1.00 1.48 H new ATOM 0 HA THR A 16 4.828 -18.259 -2.274 1.00 1.59 H new ATOM 0 HB THR A 16 4.702 -19.380 -5.124 1.00 1.76 H new ATOM 0 HG1 THR A 16 6.424 -20.729 -4.301 1.00 1.91 H new ATOM 0 HG21 THR A 16 7.069 -18.644 -5.293 1.00 1.97 H new ATOM 0 HG22 THR A 16 5.986 -17.260 -5.009 1.00 1.97 H new ATOM 0 HG23 THR A 16 6.956 -17.919 -3.671 1.00 1.97 H new ATOM 220 N VAL A 17 2.936 -17.190 -4.745 1.00 1.48 N ATOM 221 CA VAL A 17 2.389 -15.922 -5.307 1.00 1.55 C ATOM 222 C VAL A 17 1.418 -15.251 -4.322 1.00 1.47 C ATOM 223 O VAL A 17 1.466 -14.051 -4.163 1.00 1.55 O ATOM 224 CB VAL A 17 1.705 -16.279 -6.634 1.00 1.68 C ATOM 225 CG1 VAL A 17 2.739 -16.842 -7.612 1.00 1.84 C ATOM 226 CG2 VAL A 17 0.602 -17.316 -6.425 1.00 1.61 C ATOM 0 H VAL A 17 2.604 -18.045 -5.192 1.00 1.48 H new ATOM 0 HA VAL A 17 3.185 -15.197 -5.479 1.00 1.55 H new ATOM 0 HB VAL A 17 1.259 -15.370 -7.038 1.00 1.68 H new ATOM 0 HG11 VAL A 17 2.250 -17.094 -8.553 1.00 1.84 H new ATOM 0 HG12 VAL A 17 3.512 -16.096 -7.794 1.00 1.84 H new ATOM 0 HG13 VAL A 17 3.192 -17.738 -7.187 1.00 1.84 H new ATOM 0 HG21 VAL A 17 0.136 -17.549 -7.382 1.00 1.61 H new ATOM 0 HG22 VAL A 17 1.031 -18.223 -6.000 1.00 1.61 H new ATOM 0 HG23 VAL A 17 -0.149 -16.916 -5.743 1.00 1.61 H new ATOM 236 N ILE A 18 0.551 -15.978 -3.637 1.00 1.40 N ATOM 237 CA ILE A 18 -0.359 -15.282 -2.670 1.00 1.47 C ATOM 238 C ILE A 18 0.456 -14.733 -1.501 1.00 1.46 C ATOM 239 O ILE A 18 0.161 -13.675 -0.991 1.00 1.54 O ATOM 240 CB ILE A 18 -1.409 -16.304 -2.200 1.00 1.55 C ATOM 241 CG1 ILE A 18 -0.748 -17.513 -1.534 1.00 1.49 C ATOM 242 CG2 ILE A 18 -2.246 -16.773 -3.389 1.00 1.65 C ATOM 243 CD1 ILE A 18 -1.653 -18.034 -0.416 1.00 1.84 C ATOM 0 H ILE A 18 0.440 -16.990 -3.705 1.00 1.40 H new ATOM 0 HA ILE A 18 -0.863 -14.437 -3.138 1.00 1.47 H new ATOM 0 HB ILE A 18 -2.050 -15.814 -1.467 1.00 1.55 H new ATOM 0 HG12 ILE A 18 -0.573 -18.297 -2.270 1.00 1.49 H new ATOM 0 HG13 ILE A 18 0.224 -17.233 -1.129 1.00 1.49 H new ATOM 0 HG21 ILE A 18 -2.987 -17.496 -3.049 1.00 1.65 H new ATOM 0 HG22 ILE A 18 -2.752 -15.918 -3.838 1.00 1.65 H new ATOM 0 HG23 ILE A 18 -1.597 -17.240 -4.130 1.00 1.65 H new ATOM 0 HD11 ILE A 18 -1.184 -18.895 0.060 1.00 1.84 H new ATOM 0 HD12 ILE A 18 -1.806 -17.249 0.324 1.00 1.84 H new ATOM 0 HD13 ILE A 18 -2.615 -18.330 -0.835 1.00 1.84 H new ATOM 255 N VAL A 19 1.501 -15.415 -1.105 1.00 1.44 N ATOM 256 CA VAL A 19 2.354 -14.887 0.006 1.00 1.56 C ATOM 257 C VAL A 19 3.066 -13.624 -0.489 1.00 1.57 C ATOM 258 O VAL A 19 3.112 -12.618 0.195 1.00 1.64 O ATOM 259 CB VAL A 19 3.351 -16.007 0.344 1.00 1.67 C ATOM 260 CG1 VAL A 19 4.525 -15.441 1.151 1.00 1.88 C ATOM 261 CG2 VAL A 19 2.650 -17.082 1.180 1.00 1.75 C ATOM 0 H VAL A 19 1.800 -16.307 -1.498 1.00 1.44 H new ATOM 0 HA VAL A 19 1.783 -14.617 0.894 1.00 1.56 H new ATOM 0 HB VAL A 19 3.722 -16.439 -0.585 1.00 1.67 H new ATOM 0 HG11 VAL A 19 5.225 -16.243 1.385 1.00 1.88 H new ATOM 0 HG12 VAL A 19 5.033 -14.675 0.566 1.00 1.88 H new ATOM 0 HG13 VAL A 19 4.152 -15.003 2.077 1.00 1.88 H new ATOM 0 HG21 VAL A 19 3.358 -17.876 1.419 1.00 1.75 H new ATOM 0 HG22 VAL A 19 2.276 -16.639 2.103 1.00 1.75 H new ATOM 0 HG23 VAL A 19 1.817 -17.497 0.614 1.00 1.75 H new ATOM 271 N ILE A 20 3.583 -13.647 -1.692 1.00 1.57 N ATOM 272 CA ILE A 20 4.238 -12.419 -2.233 1.00 1.69 C ATOM 273 C ILE A 20 3.160 -11.359 -2.442 1.00 1.67 C ATOM 274 O ILE A 20 3.352 -10.198 -2.150 1.00 1.75 O ATOM 275 CB ILE A 20 4.876 -12.834 -3.566 1.00 1.79 C ATOM 276 CG1 ILE A 20 6.053 -13.774 -3.301 1.00 1.91 C ATOM 277 CG2 ILE A 20 5.386 -11.595 -4.309 1.00 2.00 C ATOM 278 CD1 ILE A 20 6.514 -14.402 -4.618 1.00 2.03 C ATOM 0 H ILE A 20 3.580 -14.454 -2.316 1.00 1.57 H new ATOM 0 HA ILE A 20 4.995 -12.006 -1.566 1.00 1.69 H new ATOM 0 HB ILE A 20 4.126 -13.341 -4.174 1.00 1.79 H new ATOM 0 HG12 ILE A 20 6.874 -13.224 -2.841 1.00 1.91 H new ATOM 0 HG13 ILE A 20 5.758 -14.553 -2.598 1.00 1.91 H new ATOM 0 HG21 ILE A 20 5.837 -11.898 -5.254 1.00 2.00 H new ATOM 0 HG22 ILE A 20 4.553 -10.920 -4.505 1.00 2.00 H new ATOM 0 HG23 ILE A 20 6.131 -11.085 -3.698 1.00 2.00 H new ATOM 0 HD11 ILE A 20 7.353 -15.072 -4.428 1.00 2.03 H new ATOM 0 HD12 ILE A 20 5.692 -14.966 -5.059 1.00 2.03 H new ATOM 0 HD13 ILE A 20 6.826 -13.616 -5.306 1.00 2.03 H new ATOM 290 N LEU A 21 2.020 -11.768 -2.924 1.00 1.63 N ATOM 291 CA LEU A 21 0.897 -10.807 -3.134 1.00 1.72 C ATOM 292 C LEU A 21 0.496 -10.176 -1.796 1.00 1.72 C ATOM 293 O LEU A 21 0.455 -8.964 -1.671 1.00 1.81 O ATOM 294 CB LEU A 21 -0.252 -11.641 -3.714 1.00 1.75 C ATOM 295 CG LEU A 21 -0.145 -11.673 -5.240 1.00 1.88 C ATOM 296 CD1 LEU A 21 -1.000 -12.816 -5.788 1.00 1.92 C ATOM 297 CD2 LEU A 21 -0.647 -10.345 -5.814 1.00 2.16 C ATOM 0 H LEU A 21 1.815 -12.733 -3.184 1.00 1.63 H new ATOM 0 HA LEU A 21 1.169 -9.990 -3.803 1.00 1.72 H new ATOM 0 HB2 LEU A 21 -0.216 -12.655 -3.316 1.00 1.75 H new ATOM 0 HB3 LEU A 21 -1.210 -11.215 -3.416 1.00 1.75 H new ATOM 0 HG LEU A 21 0.895 -11.826 -5.527 1.00 1.88 H new ATOM 0 HD11 LEU A 21 -0.924 -12.839 -6.875 1.00 1.92 H new ATOM 0 HD12 LEU A 21 -0.647 -13.763 -5.380 1.00 1.92 H new ATOM 0 HD13 LEU A 21 -2.040 -12.663 -5.500 1.00 1.92 H new ATOM 0 HD21 LEU A 21 -0.571 -10.367 -6.901 1.00 2.16 H new ATOM 0 HD22 LEU A 21 -1.687 -10.194 -5.526 1.00 2.16 H new ATOM 0 HD23 LEU A 21 -0.040 -9.528 -5.424 1.00 2.16 H new ATOM 309 N ILE A 22 0.217 -10.973 -0.781 1.00 1.67 N ATOM 310 CA ILE A 22 -0.156 -10.367 0.535 1.00 1.76 C ATOM 311 C ILE A 22 0.988 -9.491 1.041 1.00 1.77 C ATOM 312 O ILE A 22 0.779 -8.398 1.529 1.00 1.85 O ATOM 313 CB ILE A 22 -0.434 -11.525 1.501 1.00 1.82 C ATOM 314 CG1 ILE A 22 0.782 -12.447 1.641 1.00 1.77 C ATOM 315 CG2 ILE A 22 -1.629 -12.335 1.002 1.00 1.88 C ATOM 316 CD1 ILE A 22 0.506 -13.506 2.713 1.00 1.88 C ATOM 0 H ILE A 22 0.232 -11.992 -0.810 1.00 1.67 H new ATOM 0 HA ILE A 22 -1.039 -9.733 0.447 1.00 1.76 H new ATOM 0 HB ILE A 22 -0.652 -11.099 2.480 1.00 1.82 H new ATOM 0 HG12 ILE A 22 0.997 -12.929 0.687 1.00 1.77 H new ATOM 0 HG13 ILE A 22 1.663 -11.864 1.910 1.00 1.77 H new ATOM 0 HG21 ILE A 22 -1.824 -13.157 1.690 1.00 1.88 H new ATOM 0 HG22 ILE A 22 -2.507 -11.692 0.947 1.00 1.88 H new ATOM 0 HG23 ILE A 22 -1.410 -12.735 0.012 1.00 1.88 H new ATOM 0 HD11 ILE A 22 1.373 -14.160 2.810 1.00 1.88 H new ATOM 0 HD12 ILE A 22 0.313 -13.016 3.667 1.00 1.88 H new ATOM 0 HD13 ILE A 22 -0.364 -14.097 2.426 1.00 1.88 H new ATOM 328 N ALA A 23 2.197 -9.957 0.895 1.00 1.74 N ATOM 329 CA ALA A 23 3.373 -9.145 1.335 1.00 1.83 C ATOM 330 C ALA A 23 3.423 -7.836 0.535 1.00 1.87 C ATOM 331 O ALA A 23 3.591 -6.766 1.093 1.00 1.93 O ATOM 332 CB ALA A 23 4.599 -10.015 1.042 1.00 1.89 C ATOM 0 H ALA A 23 2.425 -10.865 0.490 1.00 1.74 H new ATOM 0 HA ALA A 23 3.324 -8.874 2.390 1.00 1.83 H new ATOM 0 HB1 ALA A 23 5.502 -9.483 1.340 1.00 1.89 H new ATOM 0 HB2 ALA A 23 4.526 -10.947 1.602 1.00 1.89 H new ATOM 0 HB3 ALA A 23 4.643 -10.235 -0.025 1.00 1.89 H new ATOM 338 N ILE A 24 3.247 -7.908 -0.766 1.00 1.87 N ATOM 339 CA ILE A 24 3.254 -6.663 -1.594 1.00 1.98 C ATOM 340 C ILE A 24 2.098 -5.763 -1.141 1.00 1.97 C ATOM 341 O ILE A 24 2.265 -4.573 -0.953 1.00 2.05 O ATOM 342 CB ILE A 24 3.061 -7.136 -3.044 1.00 2.05 C ATOM 343 CG1 ILE A 24 4.367 -7.755 -3.565 1.00 2.13 C ATOM 344 CG2 ILE A 24 2.672 -5.951 -3.935 1.00 2.22 C ATOM 345 CD1 ILE A 24 5.480 -6.699 -3.586 1.00 2.32 C ATOM 0 H ILE A 24 3.100 -8.773 -1.286 1.00 1.87 H new ATOM 0 HA ILE A 24 4.174 -6.087 -1.496 1.00 1.98 H new ATOM 0 HB ILE A 24 2.267 -7.882 -3.069 1.00 2.05 H new ATOM 0 HG12 ILE A 24 4.661 -8.591 -2.930 1.00 2.13 H new ATOM 0 HG13 ILE A 24 4.215 -8.154 -4.568 1.00 2.13 H new ATOM 0 HG21 ILE A 24 2.537 -6.296 -4.960 1.00 2.22 H new ATOM 0 HG22 ILE A 24 1.741 -5.514 -3.574 1.00 2.22 H new ATOM 0 HG23 ILE A 24 3.461 -5.199 -3.905 1.00 2.22 H new ATOM 0 HD11 ILE A 24 6.401 -7.149 -3.957 1.00 2.32 H new ATOM 0 HD12 ILE A 24 5.189 -5.877 -4.239 1.00 2.32 H new ATOM 0 HD13 ILE A 24 5.642 -6.321 -2.577 1.00 2.32 H new ATOM 357 N ALA A 25 0.933 -6.334 -0.937 1.00 1.93 N ATOM 358 CA ALA A 25 -0.228 -5.524 -0.463 1.00 1.99 C ATOM 359 C ALA A 25 0.090 -4.922 0.908 1.00 1.97 C ATOM 360 O ALA A 25 -0.139 -3.750 1.151 1.00 2.03 O ATOM 361 CB ALA A 25 -1.396 -6.510 -0.375 1.00 2.00 C ATOM 0 H ALA A 25 0.740 -7.325 -1.079 1.00 1.93 H new ATOM 0 HA ALA A 25 -0.461 -4.693 -1.129 1.00 1.99 H new ATOM 0 HB1 ALA A 25 -2.289 -5.987 -0.032 1.00 2.00 H new ATOM 0 HB2 ALA A 25 -1.583 -6.941 -1.359 1.00 2.00 H new ATOM 0 HB3 ALA A 25 -1.149 -7.305 0.328 1.00 2.00 H new ATOM 367 N ALA A 26 0.645 -5.710 1.791 1.00 1.93 N ATOM 368 CA ALA A 26 1.014 -5.186 3.141 1.00 1.97 C ATOM 369 C ALA A 26 2.039 -4.060 2.975 1.00 2.00 C ATOM 370 O ALA A 26 1.898 -2.992 3.543 1.00 2.03 O ATOM 371 CB ALA A 26 1.617 -6.379 3.886 1.00 2.00 C ATOM 0 H ALA A 26 0.859 -6.695 1.636 1.00 1.93 H new ATOM 0 HA ALA A 26 0.165 -4.775 3.687 1.00 1.97 H new ATOM 0 HB1 ALA A 26 1.913 -6.070 4.889 1.00 2.00 H new ATOM 0 HB2 ALA A 26 0.877 -7.176 3.955 1.00 2.00 H new ATOM 0 HB3 ALA A 26 2.491 -6.741 3.345 1.00 2.00 H new ATOM 377 N LEU A 27 3.051 -4.280 2.167 1.00 2.02 N ATOM 378 CA LEU A 27 4.063 -3.212 1.927 1.00 2.12 C ATOM 379 C LEU A 27 3.357 -1.986 1.333 1.00 2.14 C ATOM 380 O LEU A 27 3.564 -0.869 1.768 1.00 2.20 O ATOM 381 CB LEU A 27 5.055 -3.821 0.926 1.00 2.20 C ATOM 382 CG LEU A 27 5.993 -2.731 0.402 1.00 2.38 C ATOM 383 CD1 LEU A 27 7.428 -3.256 0.378 1.00 2.58 C ATOM 384 CD2 LEU A 27 5.574 -2.334 -1.017 1.00 2.42 C ATOM 0 H LEU A 27 3.216 -5.153 1.666 1.00 2.02 H new ATOM 0 HA LEU A 27 4.572 -2.887 2.834 1.00 2.12 H new ATOM 0 HB2 LEU A 27 5.632 -4.611 1.406 1.00 2.20 H new ATOM 0 HB3 LEU A 27 4.515 -4.279 0.097 1.00 2.20 H new ATOM 0 HG LEU A 27 5.936 -1.861 1.057 1.00 2.38 H new ATOM 0 HD11 LEU A 27 8.094 -2.478 0.005 1.00 2.58 H new ATOM 0 HD12 LEU A 27 7.729 -3.538 1.387 1.00 2.58 H new ATOM 0 HD13 LEU A 27 7.486 -4.127 -0.275 1.00 2.58 H new ATOM 0 HD21 LEU A 27 6.242 -1.558 -1.390 1.00 2.42 H new ATOM 0 HD22 LEU A 27 5.630 -3.205 -1.670 1.00 2.42 H new ATOM 0 HD23 LEU A 27 4.552 -1.956 -1.002 1.00 2.42 H new ATOM 396 N GLY A 28 2.500 -2.197 0.357 1.00 2.13 N ATOM 397 CA GLY A 28 1.751 -1.056 -0.254 1.00 2.21 C ATOM 398 C GLY A 28 0.955 -0.341 0.841 1.00 2.16 C ATOM 399 O GLY A 28 0.962 0.874 0.931 1.00 2.21 O ATOM 0 H GLY A 28 2.289 -3.113 -0.040 1.00 2.13 H new ATOM 0 HA2 GLY A 28 2.444 -0.362 -0.730 1.00 2.21 H new ATOM 0 HA3 GLY A 28 1.079 -1.420 -1.032 1.00 2.21 H new ATOM 403 N ALA A 29 0.282 -1.087 1.687 1.00 2.10 N ATOM 404 CA ALA A 29 -0.499 -0.449 2.794 1.00 2.09 C ATOM 405 C ALA A 29 0.448 0.289 3.744 1.00 2.08 C ATOM 406 O ALA A 29 0.196 1.415 4.139 1.00 2.11 O ATOM 407 CB ALA A 29 -1.203 -1.606 3.510 1.00 2.06 C ATOM 0 H ALA A 29 0.240 -2.106 1.658 1.00 2.10 H new ATOM 0 HA ALA A 29 -1.215 0.287 2.427 1.00 2.09 H new ATOM 0 HB1 ALA A 29 -1.797 -1.215 4.336 1.00 2.06 H new ATOM 0 HB2 ALA A 29 -1.856 -2.125 2.808 1.00 2.06 H new ATOM 0 HB3 ALA A 29 -0.458 -2.302 3.896 1.00 2.06 H new ATOM 413 N LEU A 30 1.547 -0.332 4.085 1.00 2.08 N ATOM 414 CA LEU A 30 2.544 0.328 4.984 1.00 2.13 C ATOM 415 C LEU A 30 3.033 1.624 4.325 1.00 2.19 C ATOM 416 O LEU A 30 3.165 2.651 4.968 1.00 2.23 O ATOM 417 CB LEU A 30 3.690 -0.686 5.123 1.00 2.17 C ATOM 418 CG LEU A 30 3.393 -1.644 6.279 1.00 2.22 C ATOM 419 CD1 LEU A 30 4.200 -2.931 6.097 1.00 2.23 C ATOM 420 CD2 LEU A 30 3.788 -0.981 7.600 1.00 2.43 C ATOM 0 H LEU A 30 1.799 -1.272 3.779 1.00 2.08 H new ATOM 0 HA LEU A 30 2.132 0.593 5.957 1.00 2.13 H new ATOM 0 HB2 LEU A 30 3.808 -1.246 4.195 1.00 2.17 H new ATOM 0 HB3 LEU A 30 4.630 -0.165 5.302 1.00 2.17 H new ATOM 0 HG LEU A 30 2.329 -1.881 6.291 1.00 2.22 H new ATOM 0 HD11 LEU A 30 3.988 -3.613 6.921 1.00 2.23 H new ATOM 0 HD12 LEU A 30 3.924 -3.404 5.154 1.00 2.23 H new ATOM 0 HD13 LEU A 30 5.264 -2.695 6.086 1.00 2.23 H new ATOM 0 HD21 LEU A 30 3.578 -1.661 8.426 1.00 2.43 H new ATOM 0 HD22 LEU A 30 4.852 -0.746 7.585 1.00 2.43 H new ATOM 0 HD23 LEU A 30 3.216 -0.063 7.732 1.00 2.43 H new ATOM 432 N ILE A 31 3.270 1.584 3.036 1.00 2.23 N ATOM 433 CA ILE A 31 3.722 2.811 2.310 1.00 2.34 C ATOM 434 C ILE A 31 2.577 3.832 2.274 1.00 2.33 C ATOM 435 O ILE A 31 2.760 4.993 2.592 1.00 2.39 O ATOM 436 CB ILE A 31 4.081 2.328 0.895 1.00 2.41 C ATOM 437 CG1 ILE A 31 5.348 1.460 0.949 1.00 2.47 C ATOM 438 CG2 ILE A 31 4.323 3.530 -0.028 1.00 2.59 C ATOM 439 CD1 ILE A 31 6.558 2.314 1.345 1.00 2.64 C ATOM 0 H ILE A 31 3.169 0.752 2.455 1.00 2.23 H new ATOM 0 HA ILE A 31 4.571 3.300 2.788 1.00 2.34 H new ATOM 0 HB ILE A 31 3.252 1.738 0.503 1.00 2.41 H new ATOM 0 HG12 ILE A 31 5.213 0.652 1.668 1.00 2.47 H new ATOM 0 HG13 ILE A 31 5.522 0.997 -0.022 1.00 2.47 H new ATOM 0 HG21 ILE A 31 4.576 3.176 -1.027 1.00 2.59 H new ATOM 0 HG22 ILE A 31 3.420 4.139 -0.077 1.00 2.59 H new ATOM 0 HG23 ILE A 31 5.144 4.130 0.364 1.00 2.59 H new ATOM 0 HD11 ILE A 31 7.450 1.688 1.380 1.00 2.64 H new ATOM 0 HD12 ILE A 31 6.700 3.107 0.610 1.00 2.64 H new ATOM 0 HD13 ILE A 31 6.386 2.755 2.327 1.00 2.64 H new ATOM 451 N LEU A 32 1.392 3.401 1.905 1.00 2.27 N ATOM 452 CA LEU A 32 0.223 4.335 1.861 1.00 2.28 C ATOM 453 C LEU A 32 -0.005 4.959 3.246 1.00 2.23 C ATOM 454 O LEU A 32 -0.154 6.159 3.371 1.00 2.28 O ATOM 455 CB LEU A 32 -0.972 3.463 1.455 1.00 2.26 C ATOM 456 CG LEU A 32 -2.141 4.361 1.038 1.00 2.33 C ATOM 457 CD1 LEU A 32 -2.437 4.159 -0.447 1.00 2.55 C ATOM 458 CD2 LEU A 32 -3.382 3.999 1.859 1.00 2.58 C ATOM 0 H LEU A 32 1.185 2.440 1.632 1.00 2.27 H new ATOM 0 HA LEU A 32 0.376 5.158 1.163 1.00 2.28 H new ATOM 0 HB2 LEU A 32 -0.693 2.805 0.632 1.00 2.26 H new ATOM 0 HB3 LEU A 32 -1.269 2.824 2.287 1.00 2.26 H new ATOM 0 HG LEU A 32 -1.878 5.404 1.217 1.00 2.33 H new ATOM 0 HD11 LEU A 32 -3.269 4.798 -0.742 1.00 2.55 H new ATOM 0 HD12 LEU A 32 -1.555 4.418 -1.032 1.00 2.55 H new ATOM 0 HD13 LEU A 32 -2.699 3.116 -0.627 1.00 2.55 H new ATOM 0 HD21 LEU A 32 -4.214 4.638 1.562 1.00 2.58 H new ATOM 0 HD22 LEU A 32 -3.644 2.956 1.681 1.00 2.58 H new ATOM 0 HD23 LEU A 32 -3.173 4.145 2.919 1.00 2.58 H new ATOM 470 N GLY A 33 -0.021 4.151 4.283 1.00 2.16 N ATOM 471 CA GLY A 33 -0.227 4.691 5.663 1.00 2.13 C ATOM 472 C GLY A 33 0.902 5.667 6.013 1.00 2.19 C ATOM 473 O GLY A 33 0.660 6.759 6.494 1.00 2.23 O ATOM 0 H GLY A 33 0.100 3.140 4.230 1.00 2.16 H new ATOM 0 HA2 GLY A 33 -1.190 5.198 5.725 1.00 2.13 H new ATOM 0 HA3 GLY A 33 -0.250 3.873 6.384 1.00 2.13 H new ATOM 988 N GLN A 66 2.015 16.461 10.432 1.00 1.36 N ATOM 989 CA GLN A 66 1.194 15.928 9.303 1.00 1.37 C ATOM 990 C GLN A 66 -0.185 16.592 9.339 1.00 1.21 C ATOM 991 O GLN A 66 -0.645 17.130 8.351 1.00 1.30 O ATOM 992 CB GLN A 66 1.095 14.415 9.530 1.00 1.36 C ATOM 993 CG GLN A 66 1.353 13.674 8.208 1.00 1.58 C ATOM 994 CD GLN A 66 0.052 13.057 7.682 1.00 1.91 C ATOM 995 OE1 GLN A 66 -0.364 13.341 6.576 1.00 2.41 O ATOM 996 NE2 GLN A 66 -0.608 12.216 8.428 1.00 2.12 N ATOM 0 HA GLN A 66 1.632 16.135 8.327 1.00 1.37 H new ATOM 0 HB2 GLN A 66 1.821 14.102 10.281 1.00 1.36 H new ATOM 0 HB3 GLN A 66 0.108 14.159 9.915 1.00 1.36 H new ATOM 0 HG2 GLN A 66 1.761 14.364 7.470 1.00 1.58 H new ATOM 0 HG3 GLN A 66 2.098 12.893 8.360 1.00 1.58 H new ATOM 0 HE21 GLN A 66 -0.260 11.976 9.357 1.00 2.12 H new ATOM 0 HE22 GLN A 66 -1.472 11.798 8.083 1.00 2.12 H new ATOM 1005 N TYR A 67 -0.820 16.605 10.482 1.00 1.05 N ATOM 1006 CA TYR A 67 -2.153 17.287 10.592 1.00 0.97 C ATOM 1007 C TYR A 67 -1.963 18.774 10.290 1.00 1.09 C ATOM 1008 O TYR A 67 -2.636 19.348 9.452 1.00 1.14 O ATOM 1009 CB TYR A 67 -2.622 17.132 12.051 1.00 0.94 C ATOM 1010 CG TYR A 67 -2.552 15.695 12.528 1.00 0.92 C ATOM 1011 CD1 TYR A 67 -2.829 14.629 11.661 1.00 0.99 C ATOM 1012 CD2 TYR A 67 -2.221 15.440 13.862 1.00 1.01 C ATOM 1013 CE1 TYR A 67 -2.770 13.309 12.135 1.00 1.14 C ATOM 1014 CE2 TYR A 67 -2.160 14.126 14.331 1.00 1.10 C ATOM 1015 CZ TYR A 67 -2.435 13.060 13.471 1.00 1.17 C ATOM 1016 OH TYR A 67 -2.382 11.762 13.943 1.00 1.38 O ATOM 0 H TYR A 67 -0.479 16.176 11.342 1.00 1.05 H new ATOM 0 HA TYR A 67 -2.878 16.859 9.899 1.00 0.97 H new ATOM 0 HB2 TYR A 67 -2.006 17.757 12.697 1.00 0.94 H new ATOM 0 HB3 TYR A 67 -3.647 17.493 12.141 1.00 0.94 H new ATOM 0 HD1 TYR A 67 -3.087 14.823 10.630 1.00 0.99 H new ATOM 0 HD2 TYR A 67 -2.012 16.261 14.532 1.00 1.01 H new ATOM 0 HE1 TYR A 67 -2.983 12.486 11.469 1.00 1.14 H new ATOM 0 HE2 TYR A 67 -1.900 13.933 15.361 1.00 1.10 H new ATOM 0 HH TYR A 67 -2.133 11.769 14.891 1.00 1.38 H new ATOM 1026 N SER A 68 -1.034 19.382 10.983 1.00 1.22 N ATOM 1027 CA SER A 68 -0.740 20.839 10.792 1.00 1.45 C ATOM 1028 C SER A 68 -0.457 21.164 9.321 1.00 1.56 C ATOM 1029 O SER A 68 -0.845 22.202 8.834 1.00 1.70 O ATOM 1030 CB SER A 68 0.504 21.116 11.640 1.00 1.61 C ATOM 1031 OG SER A 68 0.116 21.458 12.967 1.00 1.85 O ATOM 0 H SER A 68 -0.455 18.923 11.687 1.00 1.22 H new ATOM 0 HA SER A 68 -1.590 21.454 11.087 1.00 1.45 H new ATOM 0 HB2 SER A 68 1.149 20.237 11.655 1.00 1.61 H new ATOM 0 HB3 SER A 68 1.082 21.928 11.200 1.00 1.61 H new ATOM 0 HG SER A 68 0.915 21.633 13.507 1.00 1.85 H new ATOM 1037 N ALA A 69 0.231 20.300 8.612 1.00 1.56 N ATOM 1038 CA ALA A 69 0.532 20.588 7.173 1.00 1.73 C ATOM 1039 C ALA A 69 -0.648 20.189 6.274 1.00 1.68 C ATOM 1040 O ALA A 69 -1.003 20.895 5.346 1.00 1.75 O ATOM 1041 CB ALA A 69 1.771 19.748 6.849 1.00 1.81 C ATOM 0 H ALA A 69 0.595 19.414 8.964 1.00 1.56 H new ATOM 0 HA ALA A 69 0.702 21.651 6.999 1.00 1.73 H new ATOM 0 HB1 ALA A 69 2.055 19.905 5.808 1.00 1.81 H new ATOM 0 HB2 ALA A 69 2.593 20.047 7.499 1.00 1.81 H new ATOM 0 HB3 ALA A 69 1.547 18.693 7.009 1.00 1.81 H new ATOM 1047 N LYS A 70 -1.253 19.062 6.543 1.00 1.61 N ATOM 1048 CA LYS A 70 -2.409 18.594 5.706 1.00 1.61 C ATOM 1049 C LYS A 70 -3.622 19.511 5.879 1.00 1.55 C ATOM 1050 O LYS A 70 -4.260 19.888 4.915 1.00 1.62 O ATOM 1051 CB LYS A 70 -2.742 17.184 6.207 1.00 1.59 C ATOM 1052 CG LYS A 70 -1.584 16.234 5.900 1.00 1.67 C ATOM 1053 CD LYS A 70 -1.602 15.847 4.417 1.00 1.96 C ATOM 1054 CE LYS A 70 -0.176 15.889 3.857 1.00 2.27 C ATOM 1055 NZ LYS A 70 0.223 14.455 3.689 1.00 2.52 N ATOM 0 H LYS A 70 -0.998 18.439 7.309 1.00 1.61 H new ATOM 0 HA LYS A 70 -2.154 18.604 4.646 1.00 1.61 H new ATOM 0 HB2 LYS A 70 -2.931 17.206 7.280 1.00 1.59 H new ATOM 0 HB3 LYS A 70 -3.654 16.825 5.730 1.00 1.59 H new ATOM 0 HG2 LYS A 70 -0.636 16.711 6.148 1.00 1.67 H new ATOM 0 HG3 LYS A 70 -1.663 15.340 6.519 1.00 1.67 H new ATOM 0 HD2 LYS A 70 -2.021 14.848 4.297 1.00 1.96 H new ATOM 0 HD3 LYS A 70 -2.242 16.531 3.860 1.00 1.96 H new ATOM 0 HE2 LYS A 70 -0.142 16.421 2.906 1.00 2.27 H new ATOM 0 HE3 LYS A 70 0.499 16.408 4.537 1.00 2.27 H new ATOM 0 HZ1 LYS A 70 1.227 14.403 3.423 1.00 2.52 H new ATOM 0 HZ2 LYS A 70 0.075 13.946 4.584 1.00 2.52 H new ATOM 0 HZ3 LYS A 70 -0.356 14.019 2.943 1.00 2.52 H new ATOM 1069 N GLY A 71 -3.940 19.854 7.098 1.00 1.45 N ATOM 1070 CA GLY A 71 -5.123 20.745 7.371 1.00 1.42 C ATOM 1071 C GLY A 71 -5.165 21.908 6.372 1.00 1.50 C ATOM 1072 O GLY A 71 -6.099 22.018 5.596 1.00 1.52 O ATOM 0 H GLY A 71 -3.430 19.556 7.930 1.00 1.45 H new ATOM 0 HA2 GLY A 71 -6.044 20.166 7.303 1.00 1.42 H new ATOM 0 HA3 GLY A 71 -5.065 21.134 8.388 1.00 1.42 H new ATOM 1076 N PRO A 72 -4.147 22.734 6.408 1.00 1.58 N ATOM 1077 CA PRO A 72 -4.073 23.886 5.475 1.00 1.71 C ATOM 1078 C PRO A 72 -3.897 23.386 4.036 1.00 1.79 C ATOM 1079 O PRO A 72 -4.557 23.861 3.133 1.00 1.87 O ATOM 1080 CB PRO A 72 -2.853 24.669 5.962 1.00 1.82 C ATOM 1081 CG PRO A 72 -2.021 23.660 6.681 1.00 1.75 C ATOM 1082 CD PRO A 72 -2.982 22.680 7.300 1.00 1.60 C ATOM 0 HA PRO A 72 -4.973 24.501 5.466 1.00 1.71 H new ATOM 0 HB2 PRO A 72 -2.307 25.111 5.129 1.00 1.82 H new ATOM 0 HB3 PRO A 72 -3.144 25.486 6.622 1.00 1.82 H new ATOM 0 HG2 PRO A 72 -1.341 23.156 5.994 1.00 1.75 H new ATOM 0 HG3 PRO A 72 -1.406 24.137 7.445 1.00 1.75 H new ATOM 0 HD2 PRO A 72 -2.558 21.677 7.347 1.00 1.60 H new ATOM 0 HD3 PRO A 72 -3.243 22.963 8.320 1.00 1.60 H new ATOM 1090 N CYS A 73 -3.038 22.416 3.808 1.00 1.81 N ATOM 1091 CA CYS A 73 -2.864 21.891 2.416 1.00 1.95 C ATOM 1092 C CYS A 73 -4.224 21.459 1.851 1.00 1.93 C ATOM 1093 O CYS A 73 -4.561 21.748 0.716 1.00 2.05 O ATOM 1094 CB CYS A 73 -1.922 20.691 2.541 1.00 1.98 C ATOM 1095 SG CYS A 73 -1.413 20.153 0.888 1.00 2.47 S ATOM 0 H CYS A 73 -2.457 21.971 4.518 1.00 1.81 H new ATOM 0 HA CYS A 73 -2.457 22.643 1.740 1.00 1.95 H new ATOM 0 HB2 CYS A 73 -1.048 20.961 3.133 1.00 1.98 H new ATOM 0 HB3 CYS A 73 -2.421 19.875 3.064 1.00 1.98 H new ATOM 0 HG CYS A 73 -0.611 19.135 0.991 1.00 2.47 H new ATOM 1101 N VAL A 74 -5.013 20.792 2.649 1.00 1.81 N ATOM 1102 CA VAL A 74 -6.365 20.354 2.183 1.00 1.81 C ATOM 1103 C VAL A 74 -7.300 21.562 2.118 1.00 1.76 C ATOM 1104 O VAL A 74 -7.983 21.770 1.132 1.00 1.84 O ATOM 1105 CB VAL A 74 -6.846 19.321 3.212 1.00 1.76 C ATOM 1106 CG1 VAL A 74 -8.348 19.070 3.039 1.00 1.84 C ATOM 1107 CG2 VAL A 74 -6.094 18.006 2.998 1.00 1.91 C ATOM 0 H VAL A 74 -4.781 20.530 3.607 1.00 1.81 H new ATOM 0 HA VAL A 74 -6.343 19.918 1.184 1.00 1.81 H new ATOM 0 HB VAL A 74 -6.656 19.702 4.215 1.00 1.76 H new ATOM 0 HG11 VAL A 74 -8.681 18.336 3.773 1.00 1.84 H new ATOM 0 HG12 VAL A 74 -8.892 20.003 3.186 1.00 1.84 H new ATOM 0 HG13 VAL A 74 -8.540 18.692 2.035 1.00 1.84 H new ATOM 0 HG21 VAL A 74 -6.433 17.270 3.727 1.00 1.91 H new ATOM 0 HG22 VAL A 74 -6.288 17.636 1.991 1.00 1.91 H new ATOM 0 HG23 VAL A 74 -5.024 18.174 3.123 1.00 1.91 H new ATOM 1117 N GLU A 75 -7.316 22.371 3.146 1.00 1.67 N ATOM 1118 CA GLU A 75 -8.191 23.593 3.130 1.00 1.66 C ATOM 1119 C GLU A 75 -7.892 24.425 1.876 1.00 1.79 C ATOM 1120 O GLU A 75 -8.782 24.930 1.220 1.00 1.85 O ATOM 1121 CB GLU A 75 -7.825 24.381 4.395 1.00 1.61 C ATOM 1122 CG GLU A 75 -8.827 25.533 4.601 1.00 1.66 C ATOM 1123 CD GLU A 75 -8.106 26.882 4.536 1.00 1.75 C ATOM 1124 OE1 GLU A 75 -7.295 27.144 5.411 1.00 2.00 O ATOM 1125 OE2 GLU A 75 -8.380 27.637 3.616 1.00 1.93 O ATOM 0 H GLU A 75 -6.765 22.243 3.995 1.00 1.67 H new ATOM 0 HA GLU A 75 -9.251 23.340 3.112 1.00 1.66 H new ATOM 0 HB2 GLU A 75 -7.834 23.720 5.262 1.00 1.61 H new ATOM 0 HB3 GLU A 75 -6.814 24.778 4.307 1.00 1.61 H new ATOM 0 HG2 GLU A 75 -9.603 25.490 3.837 1.00 1.66 H new ATOM 0 HG3 GLU A 75 -9.323 25.424 5.565 1.00 1.66 H new ATOM 1132 N ARG A 76 -6.637 24.547 1.542 1.00 1.88 N ATOM 1133 CA ARG A 76 -6.241 25.327 0.332 1.00 2.06 C ATOM 1134 C ARG A 76 -6.664 24.592 -0.948 1.00 2.16 C ATOM 1135 O ARG A 76 -7.276 25.173 -1.821 1.00 2.27 O ATOM 1136 CB ARG A 76 -4.716 25.459 0.416 1.00 2.14 C ATOM 1137 CG ARG A 76 -4.360 26.827 1.005 1.00 2.20 C ATOM 1138 CD ARG A 76 -4.443 26.758 2.530 1.00 2.08 C ATOM 1139 NE ARG A 76 -5.286 27.926 2.923 1.00 2.37 N ATOM 1140 CZ ARG A 76 -4.870 28.756 3.821 1.00 2.44 C ATOM 1141 NH1 ARG A 76 -3.880 29.547 3.560 1.00 2.90 N ATOM 1142 NH2 ARG A 76 -5.437 28.779 4.982 1.00 2.33 N ATOM 0 H ARG A 76 -5.860 24.136 2.060 1.00 1.88 H new ATOM 0 HA ARG A 76 -6.725 26.303 0.298 1.00 2.06 H new ATOM 0 HB2 ARG A 76 -4.304 24.664 1.037 1.00 2.14 H new ATOM 0 HB3 ARG A 76 -4.275 25.350 -0.575 1.00 2.14 H new ATOM 0 HG2 ARG A 76 -3.356 27.118 0.697 1.00 2.20 H new ATOM 0 HG3 ARG A 76 -5.043 27.588 0.626 1.00 2.20 H new ATOM 0 HD2 ARG A 76 -4.890 25.820 2.859 1.00 2.08 H new ATOM 0 HD3 ARG A 76 -3.453 26.815 2.982 1.00 2.08 H new ATOM 0 HE ARG A 76 -6.194 28.069 2.481 1.00 2.37 H new ATOM 0 HH11 ARG A 76 -3.429 29.515 2.646 1.00 2.90 H new ATOM 0 HH12 ARG A 76 -3.551 30.203 4.268 1.00 2.90 H new ATOM 0 HH21 ARG A 76 -6.209 28.144 5.185 1.00 2.33 H new ATOM 0 HH22 ARG A 76 -5.113 29.432 5.695 1.00 2.33 H new ATOM 1156 N LYS A 77 -6.358 23.317 -1.065 1.00 2.17 N ATOM 1157 CA LYS A 77 -6.772 22.565 -2.299 1.00 2.32 C ATOM 1158 C LYS A 77 -8.308 22.505 -2.391 1.00 2.25 C ATOM 1159 O LYS A 77 -8.879 22.452 -3.472 1.00 2.40 O ATOM 1160 CB LYS A 77 -6.129 21.165 -2.174 1.00 2.37 C ATOM 1161 CG LYS A 77 -7.090 20.160 -1.514 1.00 2.33 C ATOM 1162 CD LYS A 77 -7.625 19.184 -2.570 1.00 2.37 C ATOM 1163 CE LYS A 77 -9.156 19.169 -2.528 1.00 2.36 C ATOM 1164 NZ LYS A 77 -9.580 19.886 -3.769 1.00 2.25 N ATOM 0 H LYS A 77 -5.847 22.771 -0.371 1.00 2.17 H new ATOM 0 HA LYS A 77 -6.438 23.049 -3.217 1.00 2.32 H new ATOM 0 HB2 LYS A 77 -5.846 20.804 -3.163 1.00 2.37 H new ATOM 0 HB3 LYS A 77 -5.214 21.235 -1.586 1.00 2.37 H new ATOM 0 HG2 LYS A 77 -6.573 19.611 -0.727 1.00 2.33 H new ATOM 0 HG3 LYS A 77 -7.918 20.690 -1.042 1.00 2.33 H new ATOM 0 HD2 LYS A 77 -7.281 19.481 -3.561 1.00 2.37 H new ATOM 0 HD3 LYS A 77 -7.236 18.183 -2.384 1.00 2.37 H new ATOM 0 HE2 LYS A 77 -9.541 18.149 -2.509 1.00 2.36 H new ATOM 0 HE3 LYS A 77 -9.532 19.668 -1.635 1.00 2.36 H new ATOM 0 HZ1 LYS A 77 -10.495 19.511 -4.091 1.00 2.25 H new ATOM 0 HZ2 LYS A 77 -9.673 20.902 -3.568 1.00 2.25 H new ATOM 0 HZ3 LYS A 77 -8.867 19.744 -4.513 1.00 2.25 H new ATOM 1178 N ALA A 78 -8.980 22.521 -1.267 1.00 2.05 N ATOM 1179 CA ALA A 78 -10.475 22.486 -1.277 1.00 2.00 C ATOM 1180 C ALA A 78 -11.013 23.859 -1.683 1.00 2.01 C ATOM 1181 O ALA A 78 -11.906 23.970 -2.506 1.00 2.08 O ATOM 1182 CB ALA A 78 -10.879 22.144 0.158 1.00 1.85 C ATOM 0 H ALA A 78 -8.556 22.557 -0.340 1.00 2.05 H new ATOM 0 HA ALA A 78 -10.875 21.760 -1.985 1.00 2.00 H new ATOM 0 HB1 ALA A 78 -11.966 22.100 0.229 1.00 1.85 H new ATOM 0 HB2 ALA A 78 -10.458 21.177 0.434 1.00 1.85 H new ATOM 0 HB3 ALA A 78 -10.501 22.910 0.835 1.00 1.85 H new ATOM 1188 N LYS A 79 -10.449 24.897 -1.126 1.00 1.98 N ATOM 1189 CA LYS A 79 -10.885 26.283 -1.478 1.00 2.04 C ATOM 1190 C LYS A 79 -10.475 26.597 -2.919 1.00 2.20 C ATOM 1191 O LYS A 79 -11.216 27.198 -3.669 1.00 2.25 O ATOM 1192 CB LYS A 79 -10.140 27.196 -0.503 1.00 2.04 C ATOM 1193 CG LYS A 79 -10.903 27.282 0.816 1.00 1.99 C ATOM 1194 CD LYS A 79 -10.503 28.568 1.538 1.00 1.98 C ATOM 1195 CE LYS A 79 -11.177 28.615 2.904 1.00 1.96 C ATOM 1196 NZ LYS A 79 -10.793 29.939 3.463 1.00 2.03 N ATOM 0 H LYS A 79 -9.699 24.845 -0.437 1.00 1.98 H new ATOM 0 HA LYS A 79 -11.965 26.412 -1.407 1.00 2.04 H new ATOM 0 HB2 LYS A 79 -9.135 26.812 -0.327 1.00 2.04 H new ATOM 0 HB3 LYS A 79 -10.030 28.191 -0.935 1.00 2.04 H new ATOM 0 HG2 LYS A 79 -11.977 27.272 0.631 1.00 1.99 H new ATOM 0 HG3 LYS A 79 -10.679 26.415 1.438 1.00 1.99 H new ATOM 0 HD2 LYS A 79 -9.420 28.611 1.653 1.00 1.98 H new ATOM 0 HD3 LYS A 79 -10.795 29.436 0.946 1.00 1.98 H new ATOM 0 HE2 LYS A 79 -12.259 28.520 2.816 1.00 1.96 H new ATOM 0 HE3 LYS A 79 -10.836 27.800 3.543 1.00 1.96 H new ATOM 0 HZ1 LYS A 79 -11.217 30.054 4.406 1.00 2.03 H new ATOM 0 HZ2 LYS A 79 -9.757 29.996 3.539 1.00 2.03 H new ATOM 0 HZ3 LYS A 79 -11.136 30.694 2.835 1.00 2.03 H new ATOM 1210 N LEU A 80 -9.292 26.184 -3.307 1.00 2.31 N ATOM 1211 CA LEU A 80 -8.820 26.438 -4.699 1.00 2.50 C ATOM 1212 C LEU A 80 -9.711 25.696 -5.698 1.00 2.57 C ATOM 1213 O LEU A 80 -10.162 26.260 -6.674 1.00 2.67 O ATOM 1214 CB LEU A 80 -7.379 25.914 -4.738 1.00 2.57 C ATOM 1215 CG LEU A 80 -6.747 26.232 -6.097 1.00 2.80 C ATOM 1216 CD1 LEU A 80 -5.658 27.291 -5.917 1.00 2.98 C ATOM 1217 CD2 LEU A 80 -6.123 24.963 -6.682 1.00 2.94 C ATOM 0 H LEU A 80 -8.632 25.680 -2.714 1.00 2.31 H new ATOM 0 HA LEU A 80 -8.863 27.493 -4.969 1.00 2.50 H new ATOM 0 HB2 LEU A 80 -6.795 26.371 -3.939 1.00 2.57 H new ATOM 0 HB3 LEU A 80 -7.369 24.838 -4.565 1.00 2.57 H new ATOM 0 HG LEU A 80 -7.515 26.606 -6.773 1.00 2.80 H new ATOM 0 HD11 LEU A 80 -5.208 27.518 -6.883 1.00 2.98 H new ATOM 0 HD12 LEU A 80 -6.097 28.197 -5.500 1.00 2.98 H new ATOM 0 HD13 LEU A 80 -4.892 26.914 -5.240 1.00 2.98 H new ATOM 0 HD21 LEU A 80 -5.674 25.191 -7.649 1.00 2.94 H new ATOM 0 HD22 LEU A 80 -5.355 24.589 -6.004 1.00 2.94 H new ATOM 0 HD23 LEU A 80 -6.895 24.204 -6.810 1.00 2.94 H new