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 X(o=0,f=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 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+ -136:sc= 0.916 (180deg=-0.242!) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.756 -21.360 -6.083 1.00 0.92 N ATOM 175 CA VAL A 14 -0.346 -20.435 -5.657 1.00 0.92 C ATOM 176 C VAL A 14 -0.018 -19.844 -4.279 1.00 0.89 C ATOM 177 O VAL A 14 -0.251 -18.679 -4.020 1.00 0.88 O ATOM 178 CB VAL A 14 -1.610 -21.307 -5.594 1.00 0.99 C ATOM 179 CG1 VAL A 14 -2.730 -20.541 -4.887 1.00 1.06 C ATOM 180 CG2 VAL A 14 -2.067 -21.657 -7.014 1.00 1.09 C ATOM 0 HA VAL A 14 -0.478 -19.598 -6.343 1.00 0.92 H new ATOM 0 HB VAL A 14 -1.384 -22.220 -5.044 1.00 0.99 H new ATOM 0 HG11 VAL A 14 -3.625 -21.162 -4.844 1.00 1.06 H new ATOM 0 HG12 VAL A 14 -2.415 -20.288 -3.875 1.00 1.06 H new ATOM 0 HG13 VAL A 14 -2.949 -19.626 -5.438 1.00 1.06 H new ATOM 0 HG21 VAL A 14 -2.963 -22.275 -6.966 1.00 1.09 H new ATOM 0 HG22 VAL A 14 -2.287 -20.741 -7.562 1.00 1.09 H new ATOM 0 HG23 VAL A 14 -1.276 -22.204 -7.526 1.00 1.09 H new ATOM 190 N VAL A 15 0.545 -20.633 -3.399 1.00 0.92 N ATOM 191 CA VAL A 15 0.911 -20.098 -2.052 1.00 0.94 C ATOM 192 C VAL A 15 2.076 -19.121 -2.205 1.00 0.87 C ATOM 193 O VAL A 15 2.081 -18.050 -1.627 1.00 0.87 O ATOM 194 CB VAL A 15 1.304 -21.325 -1.213 1.00 1.03 C ATOM 195 CG1 VAL A 15 2.024 -20.881 0.065 1.00 1.21 C ATOM 196 CG2 VAL A 15 0.042 -22.100 -0.826 1.00 1.25 C ATOM 0 H VAL A 15 0.766 -21.617 -3.553 1.00 0.92 H new ATOM 0 HA VAL A 15 0.097 -19.554 -1.572 1.00 0.94 H new ATOM 0 HB VAL A 15 1.968 -21.958 -1.802 1.00 1.03 H new ATOM 0 HG11 VAL A 15 2.298 -21.758 0.652 1.00 1.21 H new ATOM 0 HG12 VAL A 15 2.924 -20.325 -0.199 1.00 1.21 H new ATOM 0 HG13 VAL A 15 1.363 -20.244 0.652 1.00 1.21 H new ATOM 0 HG21 VAL A 15 0.318 -22.971 -0.231 1.00 1.25 H new ATOM 0 HG22 VAL A 15 -0.616 -21.456 -0.243 1.00 1.25 H new ATOM 0 HG23 VAL A 15 -0.476 -22.426 -1.728 1.00 1.25 H new ATOM 206 N THR A 16 3.051 -19.474 -3.000 1.00 0.84 N ATOM 207 CA THR A 16 4.219 -18.561 -3.220 1.00 0.82 C ATOM 208 C THR A 16 3.732 -17.206 -3.734 1.00 0.76 C ATOM 209 O THR A 16 4.072 -16.170 -3.193 1.00 0.75 O ATOM 210 CB THR A 16 5.100 -19.254 -4.268 1.00 0.83 C ATOM 211 OG1 THR A 16 5.631 -20.449 -3.716 1.00 0.89 O ATOM 212 CG2 THR A 16 6.252 -18.334 -4.669 1.00 0.90 C ATOM 0 H THR A 16 3.092 -20.357 -3.509 1.00 0.84 H new ATOM 0 HA THR A 16 4.772 -18.377 -2.299 1.00 0.82 H new ATOM 0 HB THR A 16 4.498 -19.484 -5.147 1.00 0.83 H new ATOM 0 HG1 THR A 16 6.193 -20.896 -4.383 1.00 0.89 H new ATOM 0 HG21 THR A 16 6.873 -18.832 -5.413 1.00 0.90 H new ATOM 0 HG22 THR A 16 5.852 -17.412 -5.089 1.00 0.90 H new ATOM 0 HG23 THR A 16 6.854 -18.101 -3.791 1.00 0.90 H new ATOM 220 N VAL A 17 2.927 -17.207 -4.765 1.00 0.74 N ATOM 221 CA VAL A 17 2.408 -15.917 -5.306 1.00 0.71 C ATOM 222 C VAL A 17 1.511 -15.227 -4.268 1.00 0.71 C ATOM 223 O VAL A 17 1.568 -14.028 -4.103 1.00 0.71 O ATOM 224 CB VAL A 17 1.628 -16.253 -6.585 1.00 0.75 C ATOM 225 CG1 VAL A 17 2.566 -16.886 -7.616 1.00 0.81 C ATOM 226 CG2 VAL A 17 0.486 -17.224 -6.286 1.00 0.82 C ATOM 0 H VAL A 17 2.608 -18.043 -5.254 1.00 0.74 H new ATOM 0 HA VAL A 17 3.220 -15.225 -5.530 1.00 0.71 H new ATOM 0 HB VAL A 17 1.211 -15.327 -6.981 1.00 0.75 H new ATOM 0 HG11 VAL A 17 2.006 -17.122 -8.521 1.00 0.81 H new ATOM 0 HG12 VAL A 17 3.367 -16.187 -7.857 1.00 0.81 H new ATOM 0 HG13 VAL A 17 2.994 -17.801 -7.205 1.00 0.81 H new ATOM 0 HG21 VAL A 17 -0.052 -17.447 -7.207 1.00 0.82 H new ATOM 0 HG22 VAL A 17 0.892 -18.146 -5.870 1.00 0.82 H new ATOM 0 HG23 VAL A 17 -0.197 -16.772 -5.567 1.00 0.82 H new ATOM 236 N ILE A 18 0.703 -15.968 -3.545 1.00 0.76 N ATOM 237 CA ILE A 18 -0.161 -15.323 -2.504 1.00 0.79 C ATOM 238 C ILE A 18 0.718 -14.725 -1.409 1.00 0.78 C ATOM 239 O ILE A 18 0.433 -13.666 -0.890 1.00 0.80 O ATOM 240 CB ILE A 18 -1.058 -16.449 -1.962 1.00 0.90 C ATOM 241 CG1 ILE A 18 -2.242 -16.666 -2.915 1.00 0.97 C ATOM 242 CG2 ILE A 18 -1.591 -16.087 -0.570 1.00 1.03 C ATOM 243 CD1 ILE A 18 -3.102 -15.398 -2.986 1.00 1.07 C ATOM 0 H ILE A 18 0.605 -16.980 -3.629 1.00 0.76 H new ATOM 0 HA ILE A 18 -0.764 -14.507 -2.902 1.00 0.79 H new ATOM 0 HB ILE A 18 -0.467 -17.362 -1.890 1.00 0.90 H new ATOM 0 HG12 ILE A 18 -1.876 -16.923 -3.909 1.00 0.97 H new ATOM 0 HG13 ILE A 18 -2.846 -17.506 -2.571 1.00 0.97 H new ATOM 0 HG21 ILE A 18 -2.224 -16.894 -0.201 1.00 1.03 H new ATOM 0 HG22 ILE A 18 -0.754 -15.941 0.113 1.00 1.03 H new ATOM 0 HG23 ILE A 18 -2.174 -15.168 -0.631 1.00 1.03 H new ATOM 0 HD11 ILE A 18 -3.939 -15.563 -3.665 1.00 1.07 H new ATOM 0 HD12 ILE A 18 -3.482 -15.160 -1.993 1.00 1.07 H new ATOM 0 HD13 ILE A 18 -2.497 -14.568 -3.351 1.00 1.07 H new ATOM 255 N VAL A 19 1.793 -15.377 -1.075 1.00 0.79 N ATOM 256 CA VAL A 19 2.704 -14.817 -0.031 1.00 0.82 C ATOM 257 C VAL A 19 3.340 -13.527 -0.559 1.00 0.75 C ATOM 258 O VAL A 19 3.266 -12.492 0.078 1.00 0.75 O ATOM 259 CB VAL A 19 3.758 -15.905 0.221 1.00 0.89 C ATOM 260 CG1 VAL A 19 4.952 -15.314 0.977 1.00 0.99 C ATOM 261 CG2 VAL A 19 3.142 -17.023 1.063 1.00 1.03 C ATOM 0 H VAL A 19 2.083 -16.269 -1.475 1.00 0.79 H new ATOM 0 HA VAL A 19 2.186 -14.563 0.894 1.00 0.82 H new ATOM 0 HB VAL A 19 4.095 -16.300 -0.737 1.00 0.89 H new ATOM 0 HG11 VAL A 19 5.694 -16.093 1.151 1.00 0.99 H new ATOM 0 HG12 VAL A 19 5.397 -14.514 0.385 1.00 0.99 H new ATOM 0 HG13 VAL A 19 4.615 -14.914 1.933 1.00 0.99 H new ATOM 0 HG21 VAL A 19 3.889 -17.796 1.243 1.00 1.03 H new ATOM 0 HG22 VAL A 19 2.804 -16.616 2.016 1.00 1.03 H new ATOM 0 HG23 VAL A 19 2.294 -17.454 0.531 1.00 1.03 H new ATOM 271 N ILE A 20 3.941 -13.564 -1.727 1.00 0.72 N ATOM 272 CA ILE A 20 4.547 -12.318 -2.279 1.00 0.69 C ATOM 273 C ILE A 20 3.443 -11.285 -2.534 1.00 0.65 C ATOM 274 O ILE A 20 3.626 -10.108 -2.300 1.00 0.65 O ATOM 275 CB ILE A 20 5.280 -12.722 -3.571 1.00 0.71 C ATOM 276 CG1 ILE A 20 4.295 -13.266 -4.608 1.00 0.69 C ATOM 277 CG2 ILE A 20 6.322 -13.797 -3.255 1.00 0.79 C ATOM 278 CD1 ILE A 20 4.945 -13.246 -5.993 1.00 1.00 C ATOM 0 H ILE A 20 4.035 -14.394 -2.312 1.00 0.72 H new ATOM 0 HA ILE A 20 5.253 -11.857 -1.589 1.00 0.69 H new ATOM 0 HB ILE A 20 5.768 -11.837 -3.980 1.00 0.71 H new ATOM 0 HG12 ILE A 20 4.002 -14.283 -4.347 1.00 0.69 H new ATOM 0 HG13 ILE A 20 3.387 -12.664 -4.613 1.00 0.69 H new ATOM 0 HG21 ILE A 20 6.840 -14.082 -4.171 1.00 0.79 H new ATOM 0 HG22 ILE A 20 7.043 -13.405 -2.537 1.00 0.79 H new ATOM 0 HG23 ILE A 20 5.827 -14.671 -2.832 1.00 0.79 H new ATOM 0 HD11 ILE A 20 4.242 -13.634 -6.730 1.00 1.00 H new ATOM 0 HD12 ILE A 20 5.216 -12.223 -6.253 1.00 1.00 H new ATOM 0 HD13 ILE A 20 5.841 -13.867 -5.984 1.00 1.00 H new ATOM 290 N LEU A 21 2.283 -11.722 -2.965 1.00 0.65 N ATOM 291 CA LEU A 21 1.156 -10.759 -3.181 1.00 0.65 C ATOM 292 C LEU A 21 0.768 -10.151 -1.831 1.00 0.67 C ATOM 293 O LEU A 21 0.662 -8.945 -1.690 1.00 0.66 O ATOM 294 CB LEU A 21 0.003 -11.587 -3.755 1.00 0.70 C ATOM 295 CG LEU A 21 0.059 -11.570 -5.284 1.00 0.75 C ATOM 296 CD1 LEU A 21 -0.787 -12.720 -5.832 1.00 0.88 C ATOM 297 CD2 LEU A 21 -0.496 -10.239 -5.801 1.00 0.89 C ATOM 0 H LEU A 21 2.069 -12.697 -3.175 1.00 0.65 H new ATOM 0 HA LEU A 21 1.419 -9.944 -3.856 1.00 0.65 H new ATOM 0 HB2 LEU A 21 0.065 -12.613 -3.392 1.00 0.70 H new ATOM 0 HB3 LEU A 21 -0.950 -11.185 -3.413 1.00 0.70 H new ATOM 0 HG LEU A 21 1.092 -11.685 -5.613 1.00 0.75 H new ATOM 0 HD11 LEU A 21 -0.750 -12.712 -6.921 1.00 0.88 H new ATOM 0 HD12 LEU A 21 -0.395 -13.668 -5.463 1.00 0.88 H new ATOM 0 HD13 LEU A 21 -1.819 -12.601 -5.503 1.00 0.88 H new ATOM 0 HD21 LEU A 21 -0.456 -10.227 -6.890 1.00 0.89 H new ATOM 0 HD22 LEU A 21 -1.530 -10.124 -5.474 1.00 0.89 H new ATOM 0 HD23 LEU A 21 0.102 -9.418 -5.407 1.00 0.89 H new ATOM 309 N ILE A 22 0.585 -10.980 -0.824 1.00 0.72 N ATOM 310 CA ILE A 22 0.239 -10.443 0.530 1.00 0.77 C ATOM 311 C ILE A 22 1.353 -9.495 0.993 1.00 0.75 C ATOM 312 O ILE A 22 1.099 -8.414 1.487 1.00 0.77 O ATOM 313 CB ILE A 22 0.139 -11.673 1.447 1.00 0.87 C ATOM 314 CG1 ILE A 22 -1.205 -12.381 1.213 1.00 0.94 C ATOM 315 CG2 ILE A 22 0.235 -11.244 2.917 1.00 0.98 C ATOM 316 CD1 ILE A 22 -2.358 -11.498 1.702 1.00 1.09 C ATOM 0 H ILE A 22 0.660 -11.995 -0.883 1.00 0.72 H new ATOM 0 HA ILE A 22 -0.693 -9.878 0.536 1.00 0.77 H new ATOM 0 HB ILE A 22 0.959 -12.353 1.217 1.00 0.87 H new ATOM 0 HG12 ILE A 22 -1.329 -12.601 0.153 1.00 0.94 H new ATOM 0 HG13 ILE A 22 -1.219 -13.335 1.740 1.00 0.94 H new ATOM 0 HG21 ILE A 22 0.163 -12.123 3.558 1.00 0.98 H new ATOM 0 HG22 ILE A 22 1.189 -10.746 3.089 1.00 0.98 H new ATOM 0 HG23 ILE A 22 -0.579 -10.558 3.150 1.00 0.98 H new ATOM 0 HD11 ILE A 22 -3.305 -12.009 1.531 1.00 1.09 H new ATOM 0 HD12 ILE A 22 -2.239 -11.301 2.767 1.00 1.09 H new ATOM 0 HD13 ILE A 22 -2.351 -10.555 1.156 1.00 1.09 H new ATOM 328 N ALA A 23 2.586 -9.894 0.812 1.00 0.73 N ATOM 329 CA ALA A 23 3.731 -9.018 1.214 1.00 0.75 C ATOM 330 C ALA A 23 3.699 -7.713 0.407 1.00 0.68 C ATOM 331 O ALA A 23 3.851 -6.639 0.956 1.00 0.69 O ATOM 332 CB ALA A 23 4.994 -9.828 0.902 1.00 0.80 C ATOM 0 H ALA A 23 2.851 -10.790 0.403 1.00 0.73 H new ATOM 0 HA ALA A 23 3.691 -8.740 2.267 1.00 0.75 H new ATOM 0 HB1 ALA A 23 5.875 -9.246 1.172 1.00 0.80 H new ATOM 0 HB2 ALA A 23 4.982 -10.756 1.474 1.00 0.80 H new ATOM 0 HB3 ALA A 23 5.024 -10.059 -0.163 1.00 0.80 H new ATOM 338 N ILE A 24 3.478 -7.796 -0.886 1.00 0.65 N ATOM 339 CA ILE A 24 3.406 -6.550 -1.715 1.00 0.62 C ATOM 340 C ILE A 24 2.240 -5.691 -1.216 1.00 0.61 C ATOM 341 O ILE A 24 2.381 -4.503 -1.004 1.00 0.61 O ATOM 342 CB ILE A 24 3.157 -7.025 -3.154 1.00 0.65 C ATOM 343 CG1 ILE A 24 4.458 -7.572 -3.748 1.00 0.72 C ATOM 344 CG2 ILE A 24 2.670 -5.854 -4.012 1.00 0.75 C ATOM 345 CD1 ILE A 24 4.144 -8.339 -5.034 1.00 0.82 C ATOM 0 H ILE A 24 3.345 -8.667 -1.399 1.00 0.65 H new ATOM 0 HA ILE A 24 4.313 -5.949 -1.655 1.00 0.62 H new ATOM 0 HB ILE A 24 2.399 -7.808 -3.142 1.00 0.65 H new ATOM 0 HG12 ILE A 24 5.147 -6.754 -3.958 1.00 0.72 H new ATOM 0 HG13 ILE A 24 4.951 -8.228 -3.031 1.00 0.72 H new ATOM 0 HG21 ILE A 24 2.495 -6.198 -5.031 1.00 0.75 H new ATOM 0 HG22 ILE A 24 1.742 -5.461 -3.598 1.00 0.75 H new ATOM 0 HG23 ILE A 24 3.426 -5.069 -4.019 1.00 0.75 H new ATOM 0 HD11 ILE A 24 5.068 -8.730 -5.459 1.00 0.82 H new ATOM 0 HD12 ILE A 24 3.470 -9.166 -4.809 1.00 0.82 H new ATOM 0 HD13 ILE A 24 3.670 -7.669 -5.751 1.00 0.82 H new ATOM 357 N ALA A 25 1.096 -6.297 -1.004 1.00 0.64 N ATOM 358 CA ALA A 25 -0.080 -5.529 -0.494 1.00 0.67 C ATOM 359 C ALA A 25 0.242 -4.949 0.885 1.00 0.66 C ATOM 360 O ALA A 25 -0.025 -3.797 1.158 1.00 0.67 O ATOM 361 CB ALA A 25 -1.222 -6.547 -0.412 1.00 0.77 C ATOM 0 H ALA A 25 0.928 -7.290 -1.163 1.00 0.64 H new ATOM 0 HA ALA A 25 -0.344 -4.690 -1.138 1.00 0.67 H new ATOM 0 HB1 ALA A 25 -2.122 -6.055 -0.044 1.00 0.77 H new ATOM 0 HB2 ALA A 25 -1.413 -6.960 -1.402 1.00 0.77 H new ATOM 0 HB3 ALA A 25 -0.944 -7.351 0.269 1.00 0.77 H new ATOM 367 N ALA A 26 0.841 -5.731 1.743 1.00 0.69 N ATOM 368 CA ALA A 26 1.210 -5.216 3.098 1.00 0.73 C ATOM 369 C ALA A 26 2.205 -4.061 2.943 1.00 0.69 C ATOM 370 O ALA A 26 2.063 -3.018 3.555 1.00 0.72 O ATOM 371 CB ALA A 26 1.853 -6.404 3.821 1.00 0.81 C ATOM 0 H ALA A 26 1.091 -6.704 1.566 1.00 0.69 H new ATOM 0 HA ALA A 26 0.354 -4.835 3.655 1.00 0.73 H new ATOM 0 HB1 ALA A 26 2.150 -6.101 4.825 1.00 0.81 H new ATOM 0 HB2 ALA A 26 1.135 -7.222 3.886 1.00 0.81 H new ATOM 0 HB3 ALA A 26 2.731 -6.735 3.267 1.00 0.81 H new ATOM 377 N LEU A 27 3.197 -4.234 2.100 1.00 0.65 N ATOM 378 CA LEU A 27 4.184 -3.141 1.866 1.00 0.66 C ATOM 379 C LEU A 27 3.453 -1.921 1.294 1.00 0.60 C ATOM 380 O LEU A 27 3.634 -0.807 1.754 1.00 0.63 O ATOM 381 CB LEU A 27 5.176 -3.723 0.852 1.00 0.69 C ATOM 382 CG LEU A 27 6.058 -2.608 0.285 1.00 0.76 C ATOM 383 CD1 LEU A 27 7.528 -2.996 0.431 1.00 1.00 C ATOM 384 CD2 LEU A 27 5.732 -2.406 -1.196 1.00 0.83 C ATOM 0 H LEU A 27 3.362 -5.087 1.566 1.00 0.65 H new ATOM 0 HA LEU A 27 4.692 -2.814 2.773 1.00 0.66 H new ATOM 0 HB2 LEU A 27 5.796 -4.481 1.331 1.00 0.69 H new ATOM 0 HB3 LEU A 27 4.636 -4.217 0.044 1.00 0.69 H new ATOM 0 HG LEU A 27 5.870 -1.683 0.831 1.00 0.76 H new ATOM 0 HD11 LEU A 27 8.156 -2.202 0.027 1.00 1.00 H new ATOM 0 HD12 LEU A 27 7.762 -3.143 1.485 1.00 1.00 H new ATOM 0 HD13 LEU A 27 7.716 -3.920 -0.115 1.00 1.00 H new ATOM 0 HD21 LEU A 27 6.359 -1.612 -1.602 1.00 0.83 H new ATOM 0 HD22 LEU A 27 5.921 -3.332 -1.740 1.00 0.83 H new ATOM 0 HD23 LEU A 27 4.683 -2.130 -1.303 1.00 0.83 H new ATOM 396 N GLY A 28 2.606 -2.133 0.311 1.00 0.56 N ATOM 397 CA GLY A 28 1.831 -1.000 -0.279 1.00 0.55 C ATOM 398 C GLY A 28 0.988 -0.352 0.820 1.00 0.57 C ATOM 399 O GLY A 28 0.920 0.857 0.929 1.00 0.60 O ATOM 0 H GLY A 28 2.420 -3.045 -0.106 1.00 0.56 H new ATOM 0 HA2 GLY A 28 2.509 -0.267 -0.716 1.00 0.55 H new ATOM 0 HA3 GLY A 28 1.190 -1.360 -1.083 1.00 0.55 H new ATOM 403 N ALA A 29 0.357 -1.153 1.650 1.00 0.62 N ATOM 404 CA ALA A 29 -0.469 -0.589 2.760 1.00 0.70 C ATOM 405 C ALA A 29 0.424 0.179 3.740 1.00 0.73 C ATOM 406 O ALA A 29 0.099 1.275 4.162 1.00 0.78 O ATOM 407 CB ALA A 29 -1.115 -1.801 3.437 1.00 0.79 C ATOM 0 H ALA A 29 0.381 -2.172 1.604 1.00 0.62 H new ATOM 0 HA ALA A 29 -1.221 0.115 2.403 1.00 0.70 H new ATOM 0 HB1 ALA A 29 -1.739 -1.465 4.265 1.00 0.79 H new ATOM 0 HB2 ALA A 29 -1.729 -2.337 2.714 1.00 0.79 H new ATOM 0 HB3 ALA A 29 -0.337 -2.464 3.815 1.00 0.79 H new ATOM 413 N LEU A 30 1.556 -0.379 4.084 1.00 0.74 N ATOM 414 CA LEU A 30 2.485 0.331 5.019 1.00 0.80 C ATOM 415 C LEU A 30 2.958 1.641 4.367 1.00 0.76 C ATOM 416 O LEU A 30 3.080 2.660 5.022 1.00 0.83 O ATOM 417 CB LEU A 30 3.642 -0.662 5.283 1.00 0.85 C ATOM 418 CG LEU A 30 4.957 -0.184 4.648 1.00 0.84 C ATOM 419 CD1 LEU A 30 5.571 0.932 5.496 1.00 0.97 C ATOM 420 CD2 LEU A 30 5.937 -1.355 4.583 1.00 0.90 C ATOM 0 H LEU A 30 1.878 -1.291 3.761 1.00 0.74 H new ATOM 0 HA LEU A 30 2.018 0.615 5.962 1.00 0.80 H new ATOM 0 HB2 LEU A 30 3.780 -0.783 6.357 1.00 0.85 H new ATOM 0 HB3 LEU A 30 3.380 -1.641 4.883 1.00 0.85 H new ATOM 0 HG LEU A 30 4.755 0.193 3.646 1.00 0.84 H new ATOM 0 HD11 LEU A 30 6.503 1.265 5.039 1.00 0.97 H new ATOM 0 HD12 LEU A 30 4.876 1.769 5.554 1.00 0.97 H new ATOM 0 HD13 LEU A 30 5.773 0.557 6.500 1.00 0.97 H new ATOM 0 HD21 LEU A 30 6.872 -1.022 4.133 1.00 0.90 H new ATOM 0 HD22 LEU A 30 6.130 -1.724 5.590 1.00 0.90 H new ATOM 0 HD23 LEU A 30 5.509 -2.155 3.979 1.00 0.90 H new ATOM 432 N ILE A 31 3.190 1.629 3.073 1.00 0.68 N ATOM 433 CA ILE A 31 3.620 2.882 2.377 1.00 0.68 C ATOM 434 C ILE A 31 2.429 3.845 2.303 1.00 0.65 C ATOM 435 O ILE A 31 2.539 5.008 2.653 1.00 0.73 O ATOM 436 CB ILE A 31 4.067 2.440 0.974 1.00 0.66 C ATOM 437 CG1 ILE A 31 5.416 1.722 1.072 1.00 0.75 C ATOM 438 CG2 ILE A 31 4.216 3.661 0.059 1.00 0.74 C ATOM 439 CD1 ILE A 31 5.739 1.054 -0.265 1.00 0.79 C ATOM 0 H ILE A 31 3.100 0.809 2.473 1.00 0.68 H new ATOM 0 HA ILE A 31 4.427 3.401 2.894 1.00 0.68 H new ATOM 0 HB ILE A 31 3.316 1.768 0.559 1.00 0.66 H new ATOM 0 HG12 ILE A 31 6.200 2.433 1.334 1.00 0.75 H new ATOM 0 HG13 ILE A 31 5.385 0.975 1.865 1.00 0.75 H new ATOM 0 HG21 ILE A 31 4.533 3.336 -0.932 1.00 0.74 H new ATOM 0 HG22 ILE A 31 3.259 4.178 -0.017 1.00 0.74 H new ATOM 0 HG23 ILE A 31 4.962 4.338 0.475 1.00 0.74 H new ATOM 0 HD11 ILE A 31 6.699 0.543 -0.194 1.00 0.79 H new ATOM 0 HD12 ILE A 31 4.961 0.331 -0.508 1.00 0.79 H new ATOM 0 HD13 ILE A 31 5.788 1.811 -1.048 1.00 0.79 H new ATOM 451 N LEU A 32 1.289 3.361 1.871 1.00 0.60 N ATOM 452 CA LEU A 32 0.078 4.235 1.793 1.00 0.62 C ATOM 453 C LEU A 32 -0.235 4.813 3.179 1.00 0.75 C ATOM 454 O LEU A 32 -0.477 5.998 3.322 1.00 0.81 O ATOM 455 CB LEU A 32 -1.055 3.319 1.321 1.00 0.68 C ATOM 456 CG LEU A 32 -2.285 4.163 0.976 1.00 0.79 C ATOM 457 CD1 LEU A 32 -2.634 3.977 -0.498 1.00 1.04 C ATOM 458 CD2 LEU A 32 -3.471 3.720 1.835 1.00 1.07 C ATOM 0 H LEU A 32 1.146 2.397 1.569 1.00 0.60 H new ATOM 0 HA LEU A 32 0.218 5.078 1.116 1.00 0.62 H new ATOM 0 HB2 LEU A 32 -0.736 2.749 0.449 1.00 0.68 H new ATOM 0 HB3 LEU A 32 -1.303 2.598 2.100 1.00 0.68 H new ATOM 0 HG LEU A 32 -2.066 5.213 1.171 1.00 0.79 H new ATOM 0 HD11 LEU A 32 -3.510 4.578 -0.743 1.00 1.04 H new ATOM 0 HD12 LEU A 32 -1.792 4.294 -1.114 1.00 1.04 H new ATOM 0 HD13 LEU A 32 -2.850 2.926 -0.691 1.00 1.04 H new ATOM 0 HD21 LEU A 32 -4.345 4.323 1.587 1.00 1.07 H new ATOM 0 HD22 LEU A 32 -3.688 2.669 1.642 1.00 1.07 H new ATOM 0 HD23 LEU A 32 -3.226 3.852 2.889 1.00 1.07 H new ATOM 470 N GLY A 33 -0.216 3.987 4.199 1.00 0.86 N ATOM 471 CA GLY A 33 -0.497 4.483 5.582 1.00 1.03 C ATOM 472 C GLY A 33 0.587 5.479 6.003 1.00 1.06 C ATOM 473 O GLY A 33 0.294 6.525 6.549 1.00 1.19 O ATOM 0 H GLY A 33 -0.017 2.989 4.132 1.00 0.86 H new ATOM 0 HA2 GLY A 33 -1.476 4.961 5.615 1.00 1.03 H new ATOM 0 HA3 GLY A 33 -0.527 3.646 6.280 1.00 1.03 H new ATOM 988 N GLN A 66 -8.420 -8.287 -14.896 1.00 0.80 N ATOM 989 CA GLN A 66 -7.320 -7.456 -14.309 1.00 0.77 C ATOM 990 C GLN A 66 -6.441 -8.335 -13.419 1.00 0.71 C ATOM 991 O GLN A 66 -5.231 -8.363 -13.553 1.00 0.75 O ATOM 992 CB GLN A 66 -8.018 -6.368 -13.481 1.00 0.82 C ATOM 993 CG GLN A 66 -7.318 -5.022 -13.704 1.00 1.00 C ATOM 994 CD GLN A 66 -8.241 -4.083 -14.480 1.00 1.18 C ATOM 995 OE1 GLN A 66 -8.035 -3.840 -15.649 1.00 1.49 O ATOM 996 NE2 GLN A 66 -9.256 -3.541 -13.874 1.00 1.40 N ATOM 0 HA GLN A 66 -6.678 -7.016 -15.072 1.00 0.77 H new ATOM 0 HB2 GLN A 66 -9.067 -6.296 -13.768 1.00 0.82 H new ATOM 0 HB3 GLN A 66 -7.994 -6.631 -12.423 1.00 0.82 H new ATOM 0 HG2 GLN A 66 -7.052 -4.576 -12.745 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -6.389 -5.171 -14.254 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -9.431 -3.745 -12.890 1.00 1.40 H new ATOM 0 HE22 GLN A 66 -9.877 -2.912 -14.383 1.00 1.40 H new ATOM 1005 N TYR A 67 -7.049 -9.077 -12.533 1.00 0.68 N ATOM 1006 CA TYR A 67 -6.265 -9.989 -11.648 1.00 0.67 C ATOM 1007 C TYR A 67 -5.634 -11.096 -12.492 1.00 0.71 C ATOM 1008 O TYR A 67 -4.482 -11.447 -12.313 1.00 0.74 O ATOM 1009 CB TYR A 67 -7.274 -10.566 -10.647 1.00 0.73 C ATOM 1010 CG TYR A 67 -6.705 -10.468 -9.254 1.00 0.64 C ATOM 1011 CD1 TYR A 67 -5.565 -11.204 -8.912 1.00 0.66 C ATOM 1012 CD2 TYR A 67 -7.312 -9.635 -8.307 1.00 0.68 C ATOM 1013 CE1 TYR A 67 -5.033 -11.108 -7.621 1.00 0.67 C ATOM 1014 CE2 TYR A 67 -6.777 -9.539 -7.016 1.00 0.70 C ATOM 1015 CZ TYR A 67 -5.639 -10.276 -6.676 1.00 0.66 C ATOM 1016 OH TYR A 67 -5.109 -10.178 -5.411 1.00 0.75 O ATOM 0 H TYR A 67 -8.058 -9.091 -12.383 1.00 0.68 H new ATOM 0 HA TYR A 67 -5.456 -9.474 -11.130 1.00 0.67 H new ATOM 0 HB2 TYR A 67 -8.216 -10.020 -10.707 1.00 0.73 H new ATOM 0 HB3 TYR A 67 -7.492 -11.606 -10.891 1.00 0.73 H new ATOM 0 HD1 TYR A 67 -5.096 -11.845 -9.644 1.00 0.66 H new ATOM 0 HD2 TYR A 67 -8.192 -9.067 -8.571 1.00 0.68 H new ATOM 0 HE1 TYR A 67 -4.154 -11.677 -7.355 1.00 0.67 H new ATOM 0 HE2 TYR A 67 -7.243 -8.896 -6.284 1.00 0.70 H new ATOM 0 HH TYR A 67 -5.648 -9.557 -4.878 1.00 0.75 H new ATOM 1026 N SER A 68 -6.378 -11.626 -13.426 1.00 0.79 N ATOM 1027 CA SER A 68 -5.828 -12.698 -14.317 1.00 0.91 C ATOM 1028 C SER A 68 -4.568 -12.187 -15.025 1.00 0.91 C ATOM 1029 O SER A 68 -3.612 -12.914 -15.200 1.00 0.99 O ATOM 1030 CB SER A 68 -6.930 -12.999 -15.338 1.00 1.01 C ATOM 1031 OG SER A 68 -8.028 -13.624 -14.681 1.00 1.08 O ATOM 0 H SER A 68 -7.346 -11.364 -13.613 1.00 0.79 H new ATOM 0 HA SER A 68 -5.551 -13.591 -13.758 1.00 0.91 H new ATOM 0 HB2 SER A 68 -7.257 -12.077 -15.819 1.00 1.01 H new ATOM 0 HB3 SER A 68 -6.545 -13.649 -16.124 1.00 1.01 H new ATOM 0 HG SER A 68 -8.734 -13.815 -15.333 1.00 1.08 H new ATOM 1037 N ALA A 69 -4.558 -10.935 -15.423 1.00 0.88 N ATOM 1038 CA ALA A 69 -3.353 -10.369 -16.107 1.00 0.94 C ATOM 1039 C ALA A 69 -2.306 -9.939 -15.069 1.00 0.87 C ATOM 1040 O ALA A 69 -1.116 -10.113 -15.260 1.00 0.94 O ATOM 1041 CB ALA A 69 -3.868 -9.159 -16.894 1.00 0.98 C ATOM 0 H ALA A 69 -5.333 -10.282 -15.303 1.00 0.88 H new ATOM 0 HA ALA A 69 -2.870 -11.097 -16.759 1.00 0.94 H new ATOM 0 HB1 ALA A 69 -3.039 -8.690 -17.424 1.00 0.98 H new ATOM 0 HB2 ALA A 69 -4.620 -9.486 -17.613 1.00 0.98 H new ATOM 0 HB3 ALA A 69 -4.312 -8.440 -16.206 1.00 0.98 H new ATOM 1047 N LYS A 70 -2.747 -9.383 -13.971 1.00 0.78 N ATOM 1048 CA LYS A 70 -1.787 -8.941 -12.909 1.00 0.74 C ATOM 1049 C LYS A 70 -1.016 -10.143 -12.348 1.00 0.72 C ATOM 1050 O LYS A 70 0.155 -10.043 -12.047 1.00 0.76 O ATOM 1051 CB LYS A 70 -2.647 -8.250 -11.827 1.00 0.70 C ATOM 1052 CG LYS A 70 -2.871 -9.178 -10.619 1.00 0.64 C ATOM 1053 CD LYS A 70 -3.210 -8.341 -9.380 1.00 0.65 C ATOM 1054 CE LYS A 70 -4.546 -7.624 -9.586 1.00 0.71 C ATOM 1055 NZ LYS A 70 -4.610 -6.589 -8.513 1.00 0.63 N ATOM 0 H LYS A 70 -3.731 -9.215 -13.761 1.00 0.78 H new ATOM 0 HA LYS A 70 -1.033 -8.256 -13.296 1.00 0.74 H new ATOM 0 HB2 LYS A 70 -2.157 -7.333 -11.499 1.00 0.70 H new ATOM 0 HB3 LYS A 70 -3.609 -7.962 -12.252 1.00 0.70 H new ATOM 0 HG2 LYS A 70 -3.680 -9.877 -10.830 1.00 0.64 H new ATOM 0 HG3 LYS A 70 -1.976 -9.773 -10.434 1.00 0.64 H new ATOM 0 HD2 LYS A 70 -3.263 -8.983 -8.500 1.00 0.65 H new ATOM 0 HD3 LYS A 70 -2.421 -7.612 -9.196 1.00 0.65 H new ATOM 0 HE2 LYS A 70 -4.599 -7.168 -10.575 1.00 0.71 H new ATOM 0 HE3 LYS A 70 -5.381 -8.320 -9.511 1.00 0.71 H new ATOM 0 HZ1 LYS A 70 -5.501 -6.059 -8.595 1.00 0.63 H new ATOM 0 HZ2 LYS A 70 -4.566 -7.051 -7.582 1.00 0.63 H new ATOM 0 HZ3 LYS A 70 -3.808 -5.935 -8.613 1.00 0.63 H new ATOM 1069 N GLY A 71 -1.667 -11.269 -12.206 1.00 0.73 N ATOM 1070 CA GLY A 71 -0.981 -12.490 -11.660 1.00 0.76 C ATOM 1071 C GLY A 71 0.365 -12.706 -12.360 1.00 0.82 C ATOM 1072 O GLY A 71 1.404 -12.620 -11.731 1.00 0.81 O ATOM 0 H GLY A 71 -2.650 -11.401 -12.445 1.00 0.73 H new ATOM 0 HA2 GLY A 71 -0.826 -12.378 -10.587 1.00 0.76 H new ATOM 0 HA3 GLY A 71 -1.616 -13.365 -11.801 1.00 0.76 H new ATOM 1076 N PRO A 72 0.312 -12.962 -13.647 1.00 0.92 N ATOM 1077 CA PRO A 72 1.560 -13.169 -14.428 1.00 1.02 C ATOM 1078 C PRO A 72 2.370 -11.864 -14.485 1.00 1.02 C ATOM 1079 O PRO A 72 3.582 -11.878 -14.380 1.00 1.07 O ATOM 1080 CB PRO A 72 1.056 -13.591 -15.808 1.00 1.15 C ATOM 1081 CG PRO A 72 -0.330 -13.039 -15.890 1.00 1.10 C ATOM 1082 CD PRO A 72 -0.885 -13.079 -14.492 1.00 0.98 C ATOM 0 HA PRO A 72 2.230 -13.912 -13.995 1.00 1.02 H new ATOM 0 HB2 PRO A 72 1.689 -13.191 -16.600 1.00 1.15 H new ATOM 0 HB3 PRO A 72 1.057 -14.676 -15.916 1.00 1.15 H new ATOM 0 HG2 PRO A 72 -0.320 -12.019 -16.275 1.00 1.10 H new ATOM 0 HG3 PRO A 72 -0.944 -13.630 -16.569 1.00 1.10 H new ATOM 0 HD2 PRO A 72 -1.584 -12.262 -14.314 1.00 0.98 H new ATOM 0 HD3 PRO A 72 -1.423 -14.007 -14.300 1.00 0.98 H new ATOM 1090 N CYS A 73 1.711 -10.733 -14.621 1.00 1.00 N ATOM 1091 CA CYS A 73 2.455 -9.434 -14.652 1.00 1.04 C ATOM 1092 C CYS A 73 3.190 -9.222 -13.324 1.00 0.98 C ATOM 1093 O CYS A 73 4.366 -8.904 -13.292 1.00 1.05 O ATOM 1094 CB CYS A 73 1.386 -8.357 -14.859 1.00 1.05 C ATOM 1095 SG CYS A 73 2.169 -6.839 -15.458 1.00 1.33 S ATOM 0 H CYS A 73 0.698 -10.656 -14.711 1.00 1.00 H new ATOM 0 HA CYS A 73 3.206 -9.407 -15.442 1.00 1.04 H new ATOM 0 HB2 CYS A 73 0.641 -8.702 -15.576 1.00 1.05 H new ATOM 0 HB3 CYS A 73 0.862 -8.164 -13.923 1.00 1.05 H new ATOM 0 HG CYS A 73 1.263 -5.924 -15.636 1.00 1.33 H new ATOM 1101 N VAL A 74 2.505 -9.421 -12.228 1.00 0.88 N ATOM 1102 CA VAL A 74 3.147 -9.258 -10.886 1.00 0.85 C ATOM 1103 C VAL A 74 4.214 -10.335 -10.702 1.00 0.86 C ATOM 1104 O VAL A 74 5.316 -10.055 -10.270 1.00 0.93 O ATOM 1105 CB VAL A 74 2.009 -9.408 -9.866 1.00 0.76 C ATOM 1106 CG1 VAL A 74 2.584 -9.559 -8.457 1.00 0.80 C ATOM 1107 CG2 VAL A 74 1.123 -8.161 -9.908 1.00 0.83 C ATOM 0 H VAL A 74 1.522 -9.691 -12.203 1.00 0.88 H new ATOM 0 HA VAL A 74 3.645 -8.295 -10.768 1.00 0.85 H new ATOM 0 HB VAL A 74 1.424 -10.293 -10.116 1.00 0.76 H new ATOM 0 HG11 VAL A 74 1.769 -9.665 -7.741 1.00 0.80 H new ATOM 0 HG12 VAL A 74 3.220 -10.443 -8.416 1.00 0.80 H new ATOM 0 HG13 VAL A 74 3.174 -8.677 -8.208 1.00 0.80 H new ATOM 0 HG21 VAL A 74 0.314 -8.265 -9.185 1.00 0.83 H new ATOM 0 HG22 VAL A 74 1.719 -7.282 -9.662 1.00 0.83 H new ATOM 0 HG23 VAL A 74 0.703 -8.046 -10.907 1.00 0.83 H new ATOM 1117 N GLU A 75 3.907 -11.556 -11.064 1.00 0.84 N ATOM 1118 CA GLU A 75 4.924 -12.654 -10.951 1.00 0.90 C ATOM 1119 C GLU A 75 6.168 -12.257 -11.753 1.00 1.01 C ATOM 1120 O GLU A 75 7.293 -12.419 -11.312 1.00 1.07 O ATOM 1121 CB GLU A 75 4.253 -13.891 -11.561 1.00 0.94 C ATOM 1122 CG GLU A 75 5.034 -15.156 -11.177 1.00 0.94 C ATOM 1123 CD GLU A 75 5.780 -15.697 -12.396 1.00 1.14 C ATOM 1124 OE1 GLU A 75 5.134 -15.997 -13.384 1.00 1.35 O ATOM 1125 OE2 GLU A 75 6.997 -15.803 -12.325 1.00 1.33 O ATOM 0 H GLU A 75 3.000 -11.842 -11.432 1.00 0.84 H new ATOM 0 HA GLU A 75 5.237 -12.844 -9.924 1.00 0.90 H new ATOM 0 HB2 GLU A 75 3.224 -13.968 -11.208 1.00 0.94 H new ATOM 0 HB3 GLU A 75 4.212 -13.795 -12.646 1.00 0.94 H new ATOM 0 HG2 GLU A 75 5.741 -14.929 -10.379 1.00 0.94 H new ATOM 0 HG3 GLU A 75 4.351 -15.913 -10.792 1.00 0.94 H new ATOM 1132 N ARG A 76 5.955 -11.708 -12.921 1.00 1.07 N ATOM 1133 CA ARG A 76 7.090 -11.256 -13.779 1.00 1.20 C ATOM 1134 C ARG A 76 7.867 -10.143 -13.070 1.00 1.21 C ATOM 1135 O ARG A 76 9.062 -10.234 -12.862 1.00 1.28 O ATOM 1136 CB ARG A 76 6.429 -10.716 -15.054 1.00 1.28 C ATOM 1137 CG ARG A 76 6.190 -11.862 -16.038 1.00 1.47 C ATOM 1138 CD ARG A 76 7.539 -12.362 -16.565 1.00 1.54 C ATOM 1139 NE ARG A 76 7.407 -13.854 -16.662 1.00 1.76 N ATOM 1140 CZ ARG A 76 7.011 -14.550 -15.637 1.00 2.16 C ATOM 1141 NH1 ARG A 76 7.847 -14.859 -14.692 1.00 2.60 N ATOM 1142 NH2 ARG A 76 5.783 -14.951 -15.573 1.00 2.63 N ATOM 0 H ARG A 76 5.030 -11.552 -13.322 1.00 1.07 H new ATOM 0 HA ARG A 76 7.797 -12.058 -13.993 1.00 1.20 H new ATOM 0 HB2 ARG A 76 5.484 -10.233 -14.808 1.00 1.28 H new ATOM 0 HB3 ARG A 76 7.065 -9.958 -15.512 1.00 1.28 H new ATOM 0 HG2 ARG A 76 5.654 -12.674 -15.546 1.00 1.47 H new ATOM 0 HG3 ARG A 76 5.566 -11.523 -16.865 1.00 1.47 H new ATOM 0 HD2 ARG A 76 7.766 -11.925 -17.537 1.00 1.54 H new ATOM 0 HD3 ARG A 76 8.350 -12.083 -15.892 1.00 1.54 H new ATOM 0 HE ARG A 76 7.630 -14.326 -17.539 1.00 1.76 H new ATOM 0 HH11 ARG A 76 8.819 -14.556 -14.752 1.00 2.60 H new ATOM 0 HH12 ARG A 76 7.531 -15.405 -13.890 1.00 2.60 H new ATOM 0 HH21 ARG A 76 5.132 -14.721 -16.324 1.00 2.63 H new ATOM 0 HH22 ARG A 76 5.466 -15.497 -14.772 1.00 2.63 H new ATOM 1156 N LYS A 77 7.181 -9.096 -12.697 1.00 1.19 N ATOM 1157 CA LYS A 77 7.848 -7.954 -11.990 1.00 1.25 C ATOM 1158 C LYS A 77 8.550 -8.439 -10.717 1.00 1.18 C ATOM 1159 O LYS A 77 9.728 -8.217 -10.521 1.00 1.28 O ATOM 1160 CB LYS A 77 6.710 -6.989 -11.639 1.00 1.27 C ATOM 1161 CG LYS A 77 6.706 -5.821 -12.628 1.00 1.46 C ATOM 1162 CD LYS A 77 6.572 -4.504 -11.856 1.00 1.82 C ATOM 1163 CE LYS A 77 7.648 -3.515 -12.326 1.00 2.38 C ATOM 1164 NZ LYS A 77 8.452 -3.187 -11.106 1.00 2.82 N ATOM 0 H LYS A 77 6.180 -8.978 -12.851 1.00 1.19 H new ATOM 0 HA LYS A 77 8.613 -7.483 -12.607 1.00 1.25 H new ATOM 0 HB2 LYS A 77 5.754 -7.511 -11.673 1.00 1.27 H new ATOM 0 HB3 LYS A 77 6.835 -6.617 -10.622 1.00 1.27 H new ATOM 0 HG2 LYS A 77 7.626 -5.821 -13.212 1.00 1.46 H new ATOM 0 HG3 LYS A 77 5.881 -5.929 -13.332 1.00 1.46 H new ATOM 0 HD2 LYS A 77 5.581 -4.079 -12.013 1.00 1.82 H new ATOM 0 HD3 LYS A 77 6.675 -4.687 -10.786 1.00 1.82 H new ATOM 0 HE2 LYS A 77 8.274 -3.956 -13.102 1.00 2.38 H new ATOM 0 HE3 LYS A 77 7.198 -2.618 -12.752 1.00 2.38 H new ATOM 0 HZ1 LYS A 77 9.205 -2.515 -11.357 1.00 2.82 H new ATOM 0 HZ2 LYS A 77 7.833 -2.761 -10.387 1.00 2.82 H new ATOM 0 HZ3 LYS A 77 8.877 -4.057 -10.726 1.00 2.82 H new ATOM 1178 N ALA A 78 7.822 -9.100 -9.859 1.00 1.05 N ATOM 1179 CA ALA A 78 8.410 -9.617 -8.582 1.00 1.02 C ATOM 1180 C ALA A 78 9.662 -10.457 -8.853 1.00 1.06 C ATOM 1181 O ALA A 78 10.673 -10.308 -8.196 1.00 1.11 O ATOM 1182 CB ALA A 78 7.305 -10.478 -7.966 1.00 0.95 C ATOM 0 H ALA A 78 6.832 -9.308 -9.987 1.00 1.05 H new ATOM 0 HA ALA A 78 8.724 -8.809 -7.921 1.00 1.02 H new ATOM 0 HB1 ALA A 78 7.654 -10.898 -7.023 1.00 0.95 H new ATOM 0 HB2 ALA A 78 6.423 -9.864 -7.786 1.00 0.95 H new ATOM 0 HB3 ALA A 78 7.050 -11.287 -8.651 1.00 0.95 H new ATOM 1188 N LYS A 79 9.599 -11.331 -9.815 1.00 1.10 N ATOM 1189 CA LYS A 79 10.787 -12.188 -10.134 1.00 1.21 C ATOM 1190 C LYS A 79 11.885 -11.362 -10.823 1.00 1.35 C ATOM 1191 O LYS A 79 13.054 -11.519 -10.537 1.00 1.48 O ATOM 1192 CB LYS A 79 10.255 -13.272 -11.074 1.00 1.26 C ATOM 1193 CG LYS A 79 9.543 -14.351 -10.259 1.00 1.25 C ATOM 1194 CD LYS A 79 9.851 -15.725 -10.858 1.00 1.44 C ATOM 1195 CE LYS A 79 9.306 -16.817 -9.938 1.00 1.68 C ATOM 1196 NZ LYS A 79 8.040 -17.283 -10.582 1.00 1.79 N ATOM 0 H LYS A 79 8.778 -11.494 -10.399 1.00 1.10 H new ATOM 0 HA LYS A 79 11.237 -12.611 -9.236 1.00 1.21 H new ATOM 0 HB2 LYS A 79 9.567 -12.835 -11.798 1.00 1.26 H new ATOM 0 HB3 LYS A 79 11.076 -13.712 -11.640 1.00 1.26 H new ATOM 0 HG2 LYS A 79 9.870 -14.313 -9.220 1.00 1.25 H new ATOM 0 HG3 LYS A 79 8.468 -14.174 -10.261 1.00 1.25 H new ATOM 0 HD2 LYS A 79 9.402 -15.811 -11.847 1.00 1.44 H new ATOM 0 HD3 LYS A 79 10.927 -15.845 -10.985 1.00 1.44 H new ATOM 0 HE2 LYS A 79 10.019 -17.635 -9.835 1.00 1.68 H new ATOM 0 HE3 LYS A 79 9.118 -16.430 -8.937 1.00 1.68 H new ATOM 0 HZ1 LYS A 79 7.300 -17.385 -9.859 1.00 1.79 H new ATOM 0 HZ2 LYS A 79 7.736 -16.588 -11.293 1.00 1.79 H new ATOM 0 HZ3 LYS A 79 8.202 -18.201 -11.043 1.00 1.79 H new ATOM 1210 N LEU A 80 11.519 -10.494 -11.732 1.00 1.40 N ATOM 1211 CA LEU A 80 12.542 -9.667 -12.446 1.00 1.57 C ATOM 1212 C LEU A 80 13.195 -8.647 -11.500 1.00 1.57 C ATOM 1213 O LEU A 80 14.388 -8.418 -11.546 1.00 1.70 O ATOM 1214 CB LEU A 80 11.768 -8.955 -13.560 1.00 1.68 C ATOM 1215 CG LEU A 80 12.748 -8.263 -14.512 1.00 1.93 C ATOM 1216 CD1 LEU A 80 12.958 -9.135 -15.747 1.00 2.24 C ATOM 1217 CD2 LEU A 80 12.180 -6.909 -14.942 1.00 2.09 C ATOM 0 H LEU A 80 10.553 -10.321 -12.012 1.00 1.40 H new ATOM 0 HA LEU A 80 13.355 -10.280 -12.835 1.00 1.57 H new ATOM 0 HB2 LEU A 80 11.159 -9.674 -14.109 1.00 1.68 H new ATOM 0 HB3 LEU A 80 11.085 -8.222 -13.130 1.00 1.68 H new ATOM 0 HG LEU A 80 13.699 -8.113 -14.002 1.00 1.93 H new ATOM 0 HD11 LEU A 80 13.655 -8.643 -16.425 1.00 2.24 H new ATOM 0 HD12 LEU A 80 13.364 -10.101 -15.446 1.00 2.24 H new ATOM 0 HD13 LEU A 80 12.004 -9.285 -16.253 1.00 2.24 H new ATOM 0 HD21 LEU A 80 12.880 -6.419 -15.619 1.00 2.09 H new ATOM 0 HD22 LEU A 80 11.228 -7.059 -15.450 1.00 2.09 H new ATOM 0 HD23 LEU A 80 12.027 -6.283 -14.063 1.00 2.09 H new