USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=7 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= 0.968 K(o=1.4,f=-21!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -178:sc= 0.467! (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+ -152:sc= 0.0162 (180deg=-1.08) USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 0.832 (180deg=0.667) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.918 -21.444 -5.949 1.00 1.00 N ATOM 175 CA VAL A 14 -0.212 -20.544 -5.548 1.00 1.03 C ATOM 176 C VAL A 14 0.097 -19.911 -4.182 1.00 0.90 C ATOM 177 O VAL A 14 -0.142 -18.739 -3.962 1.00 0.91 O ATOM 178 CB VAL A 14 -1.446 -21.457 -5.473 1.00 1.24 C ATOM 179 CG1 VAL A 14 -2.580 -20.747 -4.729 1.00 1.45 C ATOM 180 CG2 VAL A 14 -1.915 -21.799 -6.890 1.00 1.50 C ATOM 0 HA VAL A 14 -0.371 -19.725 -6.249 1.00 1.03 H new ATOM 0 HB VAL A 14 -1.179 -22.369 -4.939 1.00 1.24 H new ATOM 0 HG11 VAL A 14 -3.450 -21.402 -4.681 1.00 1.45 H new ATOM 0 HG12 VAL A 14 -2.254 -20.502 -3.718 1.00 1.45 H new ATOM 0 HG13 VAL A 14 -2.844 -19.831 -5.257 1.00 1.45 H new ATOM 0 HG21 VAL A 14 -2.790 -22.447 -6.837 1.00 1.50 H new ATOM 0 HG22 VAL A 14 -2.174 -20.882 -7.419 1.00 1.50 H new ATOM 0 HG23 VAL A 14 -1.115 -22.313 -7.424 1.00 1.50 H new ATOM 190 N VAL A 15 0.654 -20.673 -3.272 1.00 0.92 N ATOM 191 CA VAL A 15 1.003 -20.103 -1.932 1.00 1.07 C ATOM 192 C VAL A 15 2.143 -19.094 -2.091 1.00 1.04 C ATOM 193 O VAL A 15 2.118 -18.015 -1.525 1.00 1.08 O ATOM 194 CB VAL A 15 1.437 -21.303 -1.073 1.00 1.36 C ATOM 195 CG1 VAL A 15 2.162 -20.819 0.188 1.00 1.69 C ATOM 196 CG2 VAL A 15 0.202 -22.108 -0.656 1.00 1.56 C ATOM 0 H VAL A 15 0.881 -21.659 -3.397 1.00 0.92 H new ATOM 0 HA VAL A 15 0.169 -19.576 -1.469 1.00 1.07 H new ATOM 0 HB VAL A 15 2.111 -21.927 -1.660 1.00 1.36 H new ATOM 0 HG11 VAL A 15 2.464 -21.678 0.787 1.00 1.69 H new ATOM 0 HG12 VAL A 15 3.045 -20.247 -0.097 1.00 1.69 H new ATOM 0 HG13 VAL A 15 1.493 -20.187 0.772 1.00 1.69 H new ATOM 0 HG21 VAL A 15 0.510 -22.958 -0.047 1.00 1.56 H new ATOM 0 HG22 VAL A 15 -0.469 -21.472 -0.078 1.00 1.56 H new ATOM 0 HG23 VAL A 15 -0.316 -22.467 -1.545 1.00 1.56 H new ATOM 206 N THR A 16 3.132 -19.435 -2.870 1.00 1.12 N ATOM 207 CA THR A 16 4.283 -18.502 -3.092 1.00 1.33 C ATOM 208 C THR A 16 3.784 -17.178 -3.673 1.00 1.19 C ATOM 209 O THR A 16 4.094 -16.114 -3.169 1.00 1.26 O ATOM 210 CB THR A 16 5.209 -19.220 -4.084 1.00 1.56 C ATOM 211 OG1 THR A 16 5.727 -20.393 -3.474 1.00 1.74 O ATOM 212 CG2 THR A 16 6.373 -18.304 -4.472 1.00 1.91 C ATOM 0 H THR A 16 3.197 -20.323 -3.367 1.00 1.12 H new ATOM 0 HA THR A 16 4.803 -18.264 -2.164 1.00 1.33 H new ATOM 0 HB THR A 16 4.642 -19.481 -4.978 1.00 1.56 H new ATOM 0 HG1 THR A 16 6.318 -20.856 -4.104 1.00 1.74 H new ATOM 0 HG21 THR A 16 7.025 -18.822 -5.176 1.00 1.91 H new ATOM 0 HG22 THR A 16 5.984 -17.398 -4.937 1.00 1.91 H new ATOM 0 HG23 THR A 16 6.940 -18.039 -3.580 1.00 1.91 H new ATOM 220 N VAL A 17 3.007 -17.233 -4.721 1.00 1.11 N ATOM 221 CA VAL A 17 2.485 -15.971 -5.324 1.00 1.17 C ATOM 222 C VAL A 17 1.510 -15.280 -4.354 1.00 0.95 C ATOM 223 O VAL A 17 1.463 -14.068 -4.288 1.00 1.01 O ATOM 224 CB VAL A 17 1.801 -16.369 -6.642 1.00 1.36 C ATOM 225 CG1 VAL A 17 2.814 -17.054 -7.566 1.00 1.63 C ATOM 226 CG2 VAL A 17 0.632 -17.326 -6.389 1.00 1.24 C ATOM 0 H VAL A 17 2.712 -18.092 -5.184 1.00 1.11 H new ATOM 0 HA VAL A 17 3.283 -15.254 -5.518 1.00 1.17 H new ATOM 0 HB VAL A 17 1.419 -15.462 -7.110 1.00 1.36 H new ATOM 0 HG11 VAL A 17 2.324 -17.334 -8.499 1.00 1.63 H new ATOM 0 HG12 VAL A 17 3.634 -16.368 -7.778 1.00 1.63 H new ATOM 0 HG13 VAL A 17 3.205 -17.947 -7.079 1.00 1.63 H new ATOM 0 HG21 VAL A 17 0.167 -17.591 -7.338 1.00 1.24 H new ATOM 0 HG22 VAL A 17 1.000 -18.229 -5.901 1.00 1.24 H new ATOM 0 HG23 VAL A 17 -0.103 -16.840 -5.747 1.00 1.24 H new ATOM 236 N ILE A 18 0.756 -16.029 -3.577 1.00 0.82 N ATOM 237 CA ILE A 18 -0.178 -15.382 -2.598 1.00 0.84 C ATOM 238 C ILE A 18 0.633 -14.715 -1.494 1.00 0.81 C ATOM 239 O ILE A 18 0.345 -13.609 -1.093 1.00 0.83 O ATOM 240 CB ILE A 18 -1.064 -16.515 -2.052 1.00 1.03 C ATOM 241 CG1 ILE A 18 -2.186 -16.823 -3.054 1.00 1.25 C ATOM 242 CG2 ILE A 18 -1.687 -16.101 -0.715 1.00 1.29 C ATOM 243 CD1 ILE A 18 -3.067 -15.583 -3.254 1.00 1.51 C ATOM 0 H ILE A 18 0.748 -17.049 -3.579 1.00 0.82 H new ATOM 0 HA ILE A 18 -0.794 -14.606 -3.052 1.00 0.84 H new ATOM 0 HB ILE A 18 -0.447 -17.401 -1.904 1.00 1.03 H new ATOM 0 HG12 ILE A 18 -1.758 -17.133 -4.007 1.00 1.25 H new ATOM 0 HG13 ILE A 18 -2.791 -17.654 -2.691 1.00 1.25 H new ATOM 0 HG21 ILE A 18 -2.312 -16.911 -0.338 1.00 1.29 H new ATOM 0 HG22 ILE A 18 -0.896 -15.888 0.004 1.00 1.29 H new ATOM 0 HG23 ILE A 18 -2.297 -15.209 -0.858 1.00 1.29 H new ATOM 0 HD11 ILE A 18 -3.860 -15.811 -3.966 1.00 1.51 H new ATOM 0 HD12 ILE A 18 -3.508 -15.293 -2.301 1.00 1.51 H new ATOM 0 HD13 ILE A 18 -2.460 -14.763 -3.637 1.00 1.51 H new ATOM 255 N VAL A 19 1.666 -15.358 -1.028 1.00 0.92 N ATOM 256 CA VAL A 19 2.518 -14.723 0.023 1.00 1.14 C ATOM 257 C VAL A 19 3.186 -13.481 -0.580 1.00 1.11 C ATOM 258 O VAL A 19 3.206 -12.425 0.022 1.00 1.14 O ATOM 259 CB VAL A 19 3.554 -15.788 0.417 1.00 1.42 C ATOM 260 CG1 VAL A 19 4.668 -15.150 1.252 1.00 1.77 C ATOM 261 CG2 VAL A 19 2.874 -16.879 1.248 1.00 1.60 C ATOM 0 H VAL A 19 1.958 -16.289 -1.325 1.00 0.92 H new ATOM 0 HA VAL A 19 1.955 -14.402 0.899 1.00 1.14 H new ATOM 0 HB VAL A 19 3.980 -16.220 -0.489 1.00 1.42 H new ATOM 0 HG11 VAL A 19 5.398 -15.911 1.527 1.00 1.77 H new ATOM 0 HG12 VAL A 19 5.159 -14.371 0.669 1.00 1.77 H new ATOM 0 HG13 VAL A 19 4.241 -14.713 2.155 1.00 1.77 H new ATOM 0 HG21 VAL A 19 3.608 -17.634 1.528 1.00 1.60 H new ATOM 0 HG22 VAL A 19 2.447 -16.437 2.148 1.00 1.60 H new ATOM 0 HG23 VAL A 19 2.082 -17.343 0.661 1.00 1.60 H new ATOM 271 N ILE A 20 3.699 -13.594 -1.785 1.00 1.15 N ATOM 272 CA ILE A 20 4.331 -12.408 -2.445 1.00 1.31 C ATOM 273 C ILE A 20 3.269 -11.326 -2.651 1.00 1.13 C ATOM 274 O ILE A 20 3.473 -10.173 -2.325 1.00 1.19 O ATOM 275 CB ILE A 20 4.869 -12.928 -3.788 1.00 1.54 C ATOM 276 CG1 ILE A 20 6.085 -13.831 -3.539 1.00 1.80 C ATOM 277 CG2 ILE A 20 5.288 -11.754 -4.682 1.00 1.82 C ATOM 278 CD1 ILE A 20 7.189 -13.042 -2.824 1.00 2.10 C ATOM 0 H ILE A 20 3.707 -14.452 -2.336 1.00 1.15 H new ATOM 0 HA ILE A 20 5.132 -11.966 -1.852 1.00 1.31 H new ATOM 0 HB ILE A 20 4.082 -13.495 -4.286 1.00 1.54 H new ATOM 0 HG12 ILE A 20 5.792 -14.690 -2.936 1.00 1.80 H new ATOM 0 HG13 ILE A 20 6.460 -14.219 -4.486 1.00 1.80 H new ATOM 0 HG21 ILE A 20 5.667 -12.136 -5.630 1.00 1.82 H new ATOM 0 HG22 ILE A 20 4.427 -11.113 -4.868 1.00 1.82 H new ATOM 0 HG23 ILE A 20 6.068 -11.178 -4.184 1.00 1.82 H new ATOM 0 HD11 ILE A 20 8.047 -13.692 -2.652 1.00 2.10 H new ATOM 0 HD12 ILE A 20 7.492 -12.197 -3.443 1.00 2.10 H new ATOM 0 HD13 ILE A 20 6.814 -12.676 -1.868 1.00 2.10 H new ATOM 290 N LEU A 21 2.126 -11.703 -3.160 1.00 1.01 N ATOM 291 CA LEU A 21 1.025 -10.711 -3.358 1.00 1.04 C ATOM 292 C LEU A 21 0.651 -10.107 -2.001 1.00 0.89 C ATOM 293 O LEU A 21 0.578 -8.901 -1.847 1.00 0.94 O ATOM 294 CB LEU A 21 -0.144 -11.508 -3.947 1.00 1.15 C ATOM 295 CG LEU A 21 0.023 -11.622 -5.463 1.00 1.45 C ATOM 296 CD1 LEU A 21 -0.852 -12.761 -5.990 1.00 1.62 C ATOM 297 CD2 LEU A 21 -0.407 -10.310 -6.123 1.00 1.75 C ATOM 0 H LEU A 21 1.906 -12.656 -3.448 1.00 1.01 H new ATOM 0 HA LEU A 21 1.306 -9.890 -4.018 1.00 1.04 H new ATOM 0 HB2 LEU A 21 -0.182 -12.501 -3.500 1.00 1.15 H new ATOM 0 HB3 LEU A 21 -1.088 -11.016 -3.711 1.00 1.15 H new ATOM 0 HG LEU A 21 1.068 -11.826 -5.697 1.00 1.45 H new ATOM 0 HD11 LEU A 21 -0.732 -12.842 -7.070 1.00 1.62 H new ATOM 0 HD12 LEU A 21 -0.551 -13.698 -5.521 1.00 1.62 H new ATOM 0 HD13 LEU A 21 -1.896 -12.556 -5.755 1.00 1.62 H new ATOM 0 HD21 LEU A 21 -0.288 -10.390 -7.204 1.00 1.75 H new ATOM 0 HD22 LEU A 21 -1.452 -10.109 -5.887 1.00 1.75 H new ATOM 0 HD23 LEU A 21 0.213 -9.495 -5.750 1.00 1.75 H new ATOM 309 N ILE A 22 0.443 -10.942 -1.005 1.00 0.82 N ATOM 310 CA ILE A 22 0.107 -10.415 0.356 1.00 0.92 C ATOM 311 C ILE A 22 1.220 -9.471 0.826 1.00 0.91 C ATOM 312 O ILE A 22 0.961 -8.399 1.340 1.00 0.96 O ATOM 313 CB ILE A 22 0.006 -11.651 1.261 1.00 1.11 C ATOM 314 CG1 ILE A 22 -1.342 -12.351 1.030 1.00 1.29 C ATOM 315 CG2 ILE A 22 0.114 -11.240 2.735 1.00 1.43 C ATOM 316 CD1 ILE A 22 -2.497 -11.431 1.448 1.00 1.58 C ATOM 0 H ILE A 22 0.492 -11.958 -1.077 1.00 0.82 H new ATOM 0 HA ILE A 22 -0.823 -9.846 0.369 1.00 0.92 H new ATOM 0 HB ILE A 22 0.822 -12.331 1.018 1.00 1.11 H new ATOM 0 HG12 ILE A 22 -1.444 -12.620 -0.021 1.00 1.29 H new ATOM 0 HG13 ILE A 22 -1.381 -13.278 1.602 1.00 1.29 H new ATOM 0 HG21 ILE A 22 0.041 -12.126 3.366 1.00 1.43 H new ATOM 0 HG22 ILE A 22 1.072 -10.750 2.907 1.00 1.43 H new ATOM 0 HG23 ILE A 22 -0.695 -10.552 2.981 1.00 1.43 H new ATOM 0 HD11 ILE A 22 -3.446 -11.939 1.279 1.00 1.58 H new ATOM 0 HD12 ILE A 22 -2.401 -11.184 2.505 1.00 1.58 H new ATOM 0 HD13 ILE A 22 -2.465 -10.516 0.857 1.00 1.58 H new ATOM 328 N ALA A 23 2.455 -9.856 0.632 1.00 0.99 N ATOM 329 CA ALA A 23 3.591 -8.976 1.045 1.00 1.17 C ATOM 330 C ALA A 23 3.556 -7.672 0.237 1.00 1.12 C ATOM 331 O ALA A 23 3.692 -6.594 0.784 1.00 1.16 O ATOM 332 CB ALA A 23 4.859 -9.780 0.739 1.00 1.42 C ATOM 0 H ALA A 23 2.727 -10.742 0.205 1.00 0.99 H new ATOM 0 HA ALA A 23 3.544 -8.699 2.098 1.00 1.17 H new ATOM 0 HB1 ALA A 23 5.736 -9.196 1.017 1.00 1.42 H new ATOM 0 HB2 ALA A 23 4.847 -10.709 1.308 1.00 1.42 H new ATOM 0 HB3 ALA A 23 4.897 -10.008 -0.326 1.00 1.42 H new ATOM 338 N ILE A 24 3.348 -7.762 -1.058 1.00 1.13 N ATOM 339 CA ILE A 24 3.274 -6.520 -1.892 1.00 1.27 C ATOM 340 C ILE A 24 2.113 -5.651 -1.392 1.00 1.11 C ATOM 341 O ILE A 24 2.253 -4.455 -1.209 1.00 1.16 O ATOM 342 CB ILE A 24 3.022 -7.010 -3.326 1.00 1.46 C ATOM 343 CG1 ILE A 24 4.322 -7.574 -3.908 1.00 1.80 C ATOM 344 CG2 ILE A 24 2.544 -5.848 -4.202 1.00 1.75 C ATOM 345 CD1 ILE A 24 3.996 -8.470 -5.104 1.00 1.82 C ATOM 0 H ILE A 24 3.227 -8.636 -1.569 1.00 1.13 H new ATOM 0 HA ILE A 24 4.180 -5.916 -1.839 1.00 1.27 H new ATOM 0 HB ILE A 24 2.256 -7.785 -3.306 1.00 1.46 H new ATOM 0 HG12 ILE A 24 4.978 -6.760 -4.217 1.00 1.80 H new ATOM 0 HG13 ILE A 24 4.857 -8.143 -3.148 1.00 1.80 H new ATOM 0 HG21 ILE A 24 2.368 -6.206 -5.217 1.00 1.75 H new ATOM 0 HG22 ILE A 24 1.618 -5.442 -3.795 1.00 1.75 H new ATOM 0 HG23 ILE A 24 3.305 -5.068 -4.219 1.00 1.75 H new ATOM 0 HD11 ILE A 24 4.920 -8.872 -5.520 1.00 1.82 H new ATOM 0 HD12 ILE A 24 3.356 -9.291 -4.780 1.00 1.82 H new ATOM 0 HD13 ILE A 24 3.479 -7.886 -5.866 1.00 1.82 H new ATOM 357 N ALA A 25 0.972 -6.253 -1.148 1.00 1.00 N ATOM 358 CA ALA A 25 -0.193 -5.471 -0.636 1.00 1.03 C ATOM 359 C ALA A 25 0.137 -4.894 0.742 1.00 0.92 C ATOM 360 O ALA A 25 -0.092 -3.728 1.006 1.00 0.98 O ATOM 361 CB ALA A 25 -1.352 -6.470 -0.551 1.00 1.14 C ATOM 0 H ALA A 25 0.800 -7.249 -1.282 1.00 1.00 H new ATOM 0 HA ALA A 25 -0.445 -4.630 -1.282 1.00 1.03 H new ATOM 0 HB1 ALA A 25 -2.243 -5.963 -0.181 1.00 1.14 H new ATOM 0 HB2 ALA A 25 -1.552 -6.880 -1.541 1.00 1.14 H new ATOM 0 HB3 ALA A 25 -1.086 -7.279 0.130 1.00 1.14 H new ATOM 367 N ALA A 26 0.701 -5.691 1.609 1.00 0.89 N ATOM 368 CA ALA A 26 1.077 -5.175 2.960 1.00 1.00 C ATOM 369 C ALA A 26 2.089 -4.038 2.790 1.00 0.96 C ATOM 370 O ALA A 26 1.975 -2.997 3.408 1.00 0.98 O ATOM 371 CB ALA A 26 1.697 -6.366 3.694 1.00 1.18 C ATOM 0 H ALA A 26 0.918 -6.674 1.443 1.00 0.89 H new ATOM 0 HA ALA A 26 0.229 -4.778 3.518 1.00 1.00 H new ATOM 0 HB1 ALA A 26 1.997 -6.060 4.696 1.00 1.18 H new ATOM 0 HB2 ALA A 26 0.965 -7.171 3.765 1.00 1.18 H new ATOM 0 HB3 ALA A 26 2.571 -6.717 3.145 1.00 1.18 H new ATOM 377 N LEU A 27 3.056 -4.220 1.925 1.00 1.03 N ATOM 378 CA LEU A 27 4.055 -3.151 1.668 1.00 1.16 C ATOM 379 C LEU A 27 3.325 -1.905 1.151 1.00 1.07 C ATOM 380 O LEU A 27 3.479 -0.819 1.682 1.00 1.07 O ATOM 381 CB LEU A 27 4.962 -3.764 0.596 1.00 1.38 C ATOM 382 CG LEU A 27 6.070 -2.799 0.169 1.00 1.69 C ATOM 383 CD1 LEU A 27 5.488 -1.664 -0.675 1.00 1.78 C ATOM 384 CD2 LEU A 27 6.779 -2.217 1.397 1.00 1.92 C ATOM 0 H LEU A 27 3.192 -5.074 1.384 1.00 1.03 H new ATOM 0 HA LEU A 27 4.621 -2.839 2.546 1.00 1.16 H new ATOM 0 HB2 LEU A 27 5.407 -4.682 0.979 1.00 1.38 H new ATOM 0 HB3 LEU A 27 4.364 -4.038 -0.273 1.00 1.38 H new ATOM 0 HG LEU A 27 6.795 -3.353 -0.427 1.00 1.69 H new ATOM 0 HD11 LEU A 27 6.287 -0.985 -0.972 1.00 1.78 H new ATOM 0 HD12 LEU A 27 5.014 -2.078 -1.565 1.00 1.78 H new ATOM 0 HD13 LEU A 27 4.747 -1.119 -0.090 1.00 1.78 H new ATOM 0 HD21 LEU A 27 7.564 -1.533 1.074 1.00 1.92 H new ATOM 0 HD22 LEU A 27 6.058 -1.678 2.012 1.00 1.92 H new ATOM 0 HD23 LEU A 27 7.220 -3.026 1.980 1.00 1.92 H new ATOM 396 N GLY A 28 2.511 -2.067 0.131 1.00 1.09 N ATOM 397 CA GLY A 28 1.741 -0.906 -0.411 1.00 1.19 C ATOM 398 C GLY A 28 0.942 -0.262 0.726 1.00 1.05 C ATOM 399 O GLY A 28 0.925 0.946 0.877 1.00 1.09 O ATOM 0 H GLY A 28 2.349 -2.954 -0.347 1.00 1.09 H new ATOM 0 HA2 GLY A 28 2.420 -0.177 -0.853 1.00 1.19 H new ATOM 0 HA3 GLY A 28 1.069 -1.237 -1.203 1.00 1.19 H new ATOM 403 N ALA A 29 0.297 -1.065 1.542 1.00 0.99 N ATOM 404 CA ALA A 29 -0.485 -0.503 2.685 1.00 1.04 C ATOM 405 C ALA A 29 0.456 0.209 3.659 1.00 0.95 C ATOM 406 O ALA A 29 0.175 1.300 4.122 1.00 1.00 O ATOM 407 CB ALA A 29 -1.150 -1.712 3.349 1.00 1.15 C ATOM 0 H ALA A 29 0.280 -2.082 1.464 1.00 0.99 H new ATOM 0 HA ALA A 29 -1.224 0.232 2.365 1.00 1.04 H new ATOM 0 HB1 ALA A 29 -1.744 -1.379 4.200 1.00 1.15 H new ATOM 0 HB2 ALA A 29 -1.797 -2.213 2.629 1.00 1.15 H new ATOM 0 HB3 ALA A 29 -0.383 -2.407 3.692 1.00 1.15 H new ATOM 413 N LEU A 30 1.576 -0.396 3.949 1.00 0.93 N ATOM 414 CA LEU A 30 2.567 0.236 4.874 1.00 1.01 C ATOM 415 C LEU A 30 3.018 1.582 4.298 1.00 0.94 C ATOM 416 O LEU A 30 3.151 2.561 5.010 1.00 0.95 O ATOM 417 CB LEU A 30 3.741 -0.748 4.940 1.00 1.19 C ATOM 418 CG LEU A 30 3.541 -1.717 6.106 1.00 1.40 C ATOM 419 CD1 LEU A 30 4.400 -2.962 5.881 1.00 1.63 C ATOM 420 CD2 LEU A 30 3.967 -1.040 7.410 1.00 1.69 C ATOM 0 H LEU A 30 1.851 -1.308 3.583 1.00 0.93 H new ATOM 0 HA LEU A 30 2.153 0.429 5.864 1.00 1.01 H new ATOM 0 HB2 LEU A 30 3.816 -1.302 4.004 1.00 1.19 H new ATOM 0 HB3 LEU A 30 4.677 -0.204 5.064 1.00 1.19 H new ATOM 0 HG LEU A 30 2.490 -2.001 6.168 1.00 1.40 H new ATOM 0 HD11 LEU A 30 4.260 -3.655 6.710 1.00 1.63 H new ATOM 0 HD12 LEU A 30 4.103 -3.445 4.950 1.00 1.63 H new ATOM 0 HD13 LEU A 30 5.450 -2.674 5.822 1.00 1.63 H new ATOM 0 HD21 LEU A 30 3.825 -1.730 8.242 1.00 1.69 H new ATOM 0 HD22 LEU A 30 5.018 -0.759 7.347 1.00 1.69 H new ATOM 0 HD23 LEU A 30 3.362 -0.148 7.571 1.00 1.69 H new ATOM 432 N ILE A 31 3.234 1.641 3.005 1.00 0.97 N ATOM 433 CA ILE A 31 3.654 2.930 2.374 1.00 1.06 C ATOM 434 C ILE A 31 2.468 3.902 2.364 1.00 1.01 C ATOM 435 O ILE A 31 2.608 5.062 2.708 1.00 1.00 O ATOM 436 CB ILE A 31 4.092 2.570 0.947 1.00 1.30 C ATOM 437 CG1 ILE A 31 5.467 1.885 0.996 1.00 1.52 C ATOM 438 CG2 ILE A 31 4.182 3.844 0.100 1.00 1.58 C ATOM 439 CD1 ILE A 31 6.040 1.744 -0.417 1.00 2.25 C ATOM 0 H ILE A 31 3.138 0.855 2.363 1.00 0.97 H new ATOM 0 HA ILE A 31 4.465 3.418 2.916 1.00 1.06 H new ATOM 0 HB ILE A 31 3.363 1.893 0.501 1.00 1.30 H new ATOM 0 HG12 ILE A 31 6.149 2.467 1.616 1.00 1.52 H new ATOM 0 HG13 ILE A 31 5.375 0.902 1.459 1.00 1.52 H new ATOM 0 HG21 ILE A 31 4.493 3.587 -0.912 1.00 1.58 H new ATOM 0 HG22 ILE A 31 3.206 4.329 0.068 1.00 1.58 H new ATOM 0 HG23 ILE A 31 4.911 4.524 0.542 1.00 1.58 H new ATOM 0 HD11 ILE A 31 7.014 1.257 -0.368 1.00 2.25 H new ATOM 0 HD12 ILE A 31 5.364 1.143 -1.025 1.00 2.25 H new ATOM 0 HD13 ILE A 31 6.150 2.731 -0.865 1.00 2.25 H new ATOM 451 N LEU A 32 1.297 3.437 1.992 1.00 1.07 N ATOM 452 CA LEU A 32 0.105 4.341 1.984 1.00 1.21 C ATOM 453 C LEU A 32 -0.135 4.893 3.398 1.00 1.11 C ATOM 454 O LEU A 32 -0.300 6.084 3.585 1.00 1.18 O ATOM 455 CB LEU A 32 -1.070 3.464 1.536 1.00 1.37 C ATOM 456 CG LEU A 32 -2.122 4.335 0.840 1.00 1.60 C ATOM 457 CD1 LEU A 32 -2.149 4.010 -0.653 1.00 2.08 C ATOM 458 CD2 LEU A 32 -3.501 4.056 1.440 1.00 1.96 C ATOM 0 H LEU A 32 1.118 2.478 1.696 1.00 1.07 H new ATOM 0 HA LEU A 32 0.237 5.196 1.321 1.00 1.21 H new ATOM 0 HB2 LEU A 32 -0.719 2.687 0.857 1.00 1.37 H new ATOM 0 HB3 LEU A 32 -1.511 2.961 2.397 1.00 1.37 H new ATOM 0 HG LEU A 32 -1.868 5.385 0.982 1.00 1.60 H new ATOM 0 HD11 LEU A 32 -2.897 4.630 -1.147 1.00 2.08 H new ATOM 0 HD12 LEU A 32 -1.169 4.210 -1.087 1.00 2.08 H new ATOM 0 HD13 LEU A 32 -2.400 2.958 -0.792 1.00 2.08 H new ATOM 0 HD21 LEU A 32 -4.246 4.677 0.943 1.00 1.96 H new ATOM 0 HD22 LEU A 32 -3.753 3.005 1.300 1.00 1.96 H new ATOM 0 HD23 LEU A 32 -3.488 4.287 2.505 1.00 1.96 H new ATOM 470 N GLY A 33 -0.135 4.031 4.394 1.00 1.04 N ATOM 471 CA GLY A 33 -0.345 4.490 5.805 1.00 1.11 C ATOM 472 C GLY A 33 0.773 5.457 6.204 1.00 0.98 C ATOM 473 O GLY A 33 0.514 6.580 6.602 1.00 1.06 O ATOM 0 H GLY A 33 0.002 3.026 4.286 1.00 1.04 H new ATOM 0 HA2 GLY A 33 -1.314 4.981 5.898 1.00 1.11 H new ATOM 0 HA3 GLY A 33 -0.356 3.633 6.479 1.00 1.11 H new ATOM 988 N GLN A 66 15.826 -5.504 5.575 1.00 1.66 N ATOM 989 CA GLN A 66 16.396 -5.786 4.224 1.00 1.58 C ATOM 990 C GLN A 66 17.904 -5.544 4.266 1.00 1.56 C ATOM 991 O GLN A 66 18.686 -6.400 3.920 1.00 1.44 O ATOM 992 CB GLN A 66 15.699 -4.806 3.272 1.00 1.75 C ATOM 993 CG GLN A 66 16.148 -5.071 1.826 1.00 1.78 C ATOM 994 CD GLN A 66 15.555 -6.391 1.325 1.00 1.87 C ATOM 995 OE1 GLN A 66 16.278 -7.331 1.052 1.00 1.81 O ATOM 996 NE2 GLN A 66 14.267 -6.510 1.192 1.00 2.21 N ATOM 0 HA GLN A 66 16.239 -6.814 3.899 1.00 1.58 H new ATOM 0 HB2 GLN A 66 14.617 -4.915 3.352 1.00 1.75 H new ATOM 0 HB3 GLN A 66 15.937 -3.780 3.554 1.00 1.75 H new ATOM 0 HG2 GLN A 66 15.828 -4.252 1.182 1.00 1.78 H new ATOM 0 HG3 GLN A 66 17.236 -5.110 1.776 1.00 1.78 H new ATOM 0 HE21 GLN A 66 13.656 -5.725 1.419 1.00 2.21 H new ATOM 0 HE22 GLN A 66 13.867 -7.388 0.860 1.00 2.21 H new ATOM 1005 N TYR A 67 18.310 -4.394 4.728 1.00 1.74 N ATOM 1006 CA TYR A 67 19.774 -4.101 4.835 1.00 1.80 C ATOM 1007 C TYR A 67 20.404 -5.026 5.878 1.00 1.72 C ATOM 1008 O TYR A 67 21.469 -5.583 5.672 1.00 1.66 O ATOM 1009 CB TYR A 67 19.866 -2.639 5.280 1.00 2.06 C ATOM 1010 CG TYR A 67 20.022 -1.755 4.064 1.00 2.57 C ATOM 1011 CD1 TYR A 67 21.296 -1.483 3.552 1.00 2.97 C ATOM 1012 CD2 TYR A 67 18.891 -1.216 3.443 1.00 2.89 C ATOM 1013 CE1 TYR A 67 21.438 -0.669 2.422 1.00 3.51 C ATOM 1014 CE2 TYR A 67 19.036 -0.401 2.311 1.00 3.46 C ATOM 1015 CZ TYR A 67 20.310 -0.129 1.803 1.00 3.71 C ATOM 1016 OH TYR A 67 20.452 0.673 0.690 1.00 4.31 O ATOM 0 H TYR A 67 17.694 -3.642 5.037 1.00 1.74 H new ATOM 0 HA TYR A 67 20.302 -4.262 3.895 1.00 1.80 H new ATOM 0 HB2 TYR A 67 18.971 -2.359 5.835 1.00 2.06 H new ATOM 0 HB3 TYR A 67 20.713 -2.504 5.953 1.00 2.06 H new ATOM 0 HD1 TYR A 67 22.170 -1.901 4.029 1.00 2.97 H new ATOM 0 HD2 TYR A 67 17.907 -1.427 3.835 1.00 2.89 H new ATOM 0 HE1 TYR A 67 22.422 -0.459 2.029 1.00 3.51 H new ATOM 0 HE2 TYR A 67 18.163 0.017 1.831 1.00 3.46 H new ATOM 0 HH TYR A 67 19.569 0.965 0.382 1.00 4.31 H new ATOM 1026 N SER A 68 19.738 -5.198 6.990 1.00 1.79 N ATOM 1027 CA SER A 68 20.261 -6.096 8.070 1.00 1.82 C ATOM 1028 C SER A 68 20.459 -7.518 7.533 1.00 1.61 C ATOM 1029 O SER A 68 21.426 -8.172 7.855 1.00 1.65 O ATOM 1030 CB SER A 68 19.194 -6.092 9.171 1.00 1.95 C ATOM 1031 OG SER A 68 19.045 -4.772 9.686 1.00 2.17 O ATOM 0 H SER A 68 18.845 -4.752 7.201 1.00 1.79 H new ATOM 0 HA SER A 68 21.226 -5.752 8.442 1.00 1.82 H new ATOM 0 HB2 SER A 68 18.244 -6.447 8.772 1.00 1.95 H new ATOM 0 HB3 SER A 68 19.479 -6.775 9.971 1.00 1.95 H new ATOM 0 HG SER A 68 18.362 -4.770 10.388 1.00 2.17 H new ATOM 1037 N ALA A 69 19.547 -8.002 6.723 1.00 1.47 N ATOM 1038 CA ALA A 69 19.693 -9.388 6.171 1.00 1.35 C ATOM 1039 C ALA A 69 20.598 -9.395 4.929 1.00 1.21 C ATOM 1040 O ALA A 69 21.465 -10.238 4.786 1.00 1.16 O ATOM 1041 CB ALA A 69 18.269 -9.819 5.809 1.00 1.40 C ATOM 0 H ALA A 69 18.712 -7.500 6.421 1.00 1.47 H new ATOM 0 HA ALA A 69 20.158 -10.065 6.888 1.00 1.35 H new ATOM 0 HB1 ALA A 69 18.288 -10.828 5.396 1.00 1.40 H new ATOM 0 HB2 ALA A 69 17.646 -9.805 6.703 1.00 1.40 H new ATOM 0 HB3 ALA A 69 17.858 -9.132 5.070 1.00 1.40 H new ATOM 1047 N LYS A 70 20.400 -8.464 4.034 1.00 1.21 N ATOM 1048 CA LYS A 70 21.238 -8.408 2.787 1.00 1.18 C ATOM 1049 C LYS A 70 22.714 -8.194 3.124 1.00 1.14 C ATOM 1050 O LYS A 70 23.579 -8.847 2.575 1.00 1.06 O ATOM 1051 CB LYS A 70 20.713 -7.217 1.981 1.00 1.38 C ATOM 1052 CG LYS A 70 19.294 -7.502 1.488 1.00 1.52 C ATOM 1053 CD LYS A 70 19.327 -8.550 0.371 1.00 1.72 C ATOM 1054 CE LYS A 70 18.482 -9.762 0.778 1.00 1.85 C ATOM 1055 NZ LYS A 70 17.104 -9.452 0.291 1.00 1.89 N ATOM 0 H LYS A 70 19.692 -7.734 4.108 1.00 1.21 H new ATOM 0 HA LYS A 70 21.169 -9.343 2.231 1.00 1.18 H new ATOM 0 HB2 LYS A 70 20.718 -6.319 2.599 1.00 1.38 H new ATOM 0 HB3 LYS A 70 21.369 -7.024 1.132 1.00 1.38 H new ATOM 0 HG2 LYS A 70 18.678 -7.858 2.314 1.00 1.52 H new ATOM 0 HG3 LYS A 70 18.836 -6.583 1.122 1.00 1.52 H new ATOM 0 HD2 LYS A 70 18.944 -8.121 -0.555 1.00 1.72 H new ATOM 0 HD3 LYS A 70 20.354 -8.859 0.178 1.00 1.72 H new ATOM 0 HE2 LYS A 70 18.863 -10.678 0.327 1.00 1.85 H new ATOM 0 HE3 LYS A 70 18.496 -9.908 1.858 1.00 1.85 H new ATOM 0 HZ1 LYS A 70 16.459 -10.221 0.562 1.00 1.89 H new ATOM 0 HZ2 LYS A 70 16.778 -8.560 0.716 1.00 1.89 H new ATOM 0 HZ3 LYS A 70 17.115 -9.358 -0.745 1.00 1.89 H new ATOM 1069 N GLY A 71 22.994 -7.275 4.009 1.00 1.28 N ATOM 1070 CA GLY A 71 24.417 -6.977 4.401 1.00 1.38 C ATOM 1071 C GLY A 71 25.211 -8.277 4.589 1.00 1.24 C ATOM 1072 O GLY A 71 26.132 -8.547 3.839 1.00 1.18 O ATOM 0 H GLY A 71 22.294 -6.707 4.487 1.00 1.28 H new ATOM 0 HA2 GLY A 71 24.890 -6.364 3.634 1.00 1.38 H new ATOM 0 HA3 GLY A 71 24.432 -6.399 5.325 1.00 1.38 H new ATOM 1076 N PRO A 72 24.821 -9.052 5.575 1.00 1.26 N ATOM 1077 CA PRO A 72 25.506 -10.344 5.846 1.00 1.23 C ATOM 1078 C PRO A 72 25.293 -11.318 4.681 1.00 1.01 C ATOM 1079 O PRO A 72 26.198 -12.031 4.299 1.00 0.97 O ATOM 1080 CB PRO A 72 24.847 -10.839 7.134 1.00 1.44 C ATOM 1081 CG PRO A 72 23.517 -10.164 7.157 1.00 1.44 C ATOM 1082 CD PRO A 72 23.721 -8.816 6.519 1.00 1.40 C ATOM 0 HA PRO A 72 26.587 -10.249 5.951 1.00 1.23 H new ATOM 0 HB2 PRO A 72 24.741 -11.924 7.134 1.00 1.44 H new ATOM 0 HB3 PRO A 72 25.440 -10.576 8.010 1.00 1.44 H new ATOM 0 HG2 PRO A 72 22.775 -10.746 6.610 1.00 1.44 H new ATOM 0 HG3 PRO A 72 23.150 -10.060 8.178 1.00 1.44 H new ATOM 0 HD2 PRO A 72 22.821 -8.472 6.010 1.00 1.40 H new ATOM 0 HD3 PRO A 72 23.980 -8.057 7.257 1.00 1.40 H new ATOM 1090 N CYS A 73 24.117 -11.342 4.091 1.00 0.97 N ATOM 1091 CA CYS A 73 23.889 -12.265 2.932 1.00 0.92 C ATOM 1092 C CYS A 73 24.830 -11.889 1.784 1.00 0.84 C ATOM 1093 O CYS A 73 25.489 -12.733 1.202 1.00 0.85 O ATOM 1094 CB CYS A 73 22.426 -12.074 2.520 1.00 1.05 C ATOM 1095 SG CYS A 73 21.695 -13.682 2.130 1.00 1.45 S ATOM 0 H CYS A 73 23.316 -10.770 4.359 1.00 0.97 H new ATOM 0 HA CYS A 73 24.088 -13.305 3.191 1.00 0.92 H new ATOM 0 HB2 CYS A 73 21.870 -11.595 3.326 1.00 1.05 H new ATOM 0 HB3 CYS A 73 22.364 -11.415 1.654 1.00 1.05 H new ATOM 0 HG CYS A 73 20.453 -13.521 1.782 1.00 1.45 H new ATOM 1101 N VAL A 74 24.918 -10.623 1.479 1.00 0.88 N ATOM 1102 CA VAL A 74 25.837 -10.170 0.390 1.00 0.97 C ATOM 1103 C VAL A 74 27.280 -10.376 0.840 1.00 0.89 C ATOM 1104 O VAL A 74 28.101 -10.902 0.111 1.00 0.90 O ATOM 1105 CB VAL A 74 25.522 -8.681 0.172 1.00 1.19 C ATOM 1106 CG1 VAL A 74 26.612 -8.033 -0.686 1.00 1.41 C ATOM 1107 CG2 VAL A 74 24.179 -8.539 -0.547 1.00 1.38 C ATOM 0 H VAL A 74 24.392 -9.879 1.937 1.00 0.88 H new ATOM 0 HA VAL A 74 25.704 -10.728 -0.537 1.00 0.97 H new ATOM 0 HB VAL A 74 25.479 -8.187 1.143 1.00 1.19 H new ATOM 0 HG11 VAL A 74 26.379 -6.979 -0.834 1.00 1.41 H new ATOM 0 HG12 VAL A 74 27.574 -8.125 -0.182 1.00 1.41 H new ATOM 0 HG13 VAL A 74 26.660 -8.534 -1.653 1.00 1.41 H new ATOM 0 HG21 VAL A 74 23.958 -7.483 -0.700 1.00 1.38 H new ATOM 0 HG22 VAL A 74 24.228 -9.043 -1.512 1.00 1.38 H new ATOM 0 HG23 VAL A 74 23.393 -8.990 0.058 1.00 1.38 H new ATOM 1117 N GLU A 75 27.580 -9.992 2.052 1.00 0.94 N ATOM 1118 CA GLU A 75 28.962 -10.184 2.591 1.00 1.01 C ATOM 1119 C GLU A 75 29.340 -11.667 2.517 1.00 0.88 C ATOM 1120 O GLU A 75 30.429 -12.026 2.110 1.00 0.91 O ATOM 1121 CB GLU A 75 28.885 -9.707 4.046 1.00 1.21 C ATOM 1122 CG GLU A 75 30.291 -9.674 4.664 1.00 1.42 C ATOM 1123 CD GLU A 75 30.426 -10.771 5.722 1.00 1.46 C ATOM 1124 OE1 GLU A 75 29.678 -10.742 6.686 1.00 1.58 O ATOM 1125 OE2 GLU A 75 31.284 -11.620 5.557 1.00 1.70 O ATOM 0 H GLU A 75 26.925 -9.551 2.697 1.00 0.94 H new ATOM 0 HA GLU A 75 29.718 -9.635 2.029 1.00 1.01 H new ATOM 0 HB2 GLU A 75 28.437 -8.714 4.089 1.00 1.21 H new ATOM 0 HB3 GLU A 75 28.241 -10.372 4.622 1.00 1.21 H new ATOM 0 HG2 GLU A 75 31.042 -9.814 3.886 1.00 1.42 H new ATOM 0 HG3 GLU A 75 30.476 -8.699 5.114 1.00 1.42 H new ATOM 1132 N ARG A 76 28.427 -12.525 2.883 1.00 0.82 N ATOM 1133 CA ARG A 76 28.691 -13.995 2.824 1.00 0.87 C ATOM 1134 C ARG A 76 28.883 -14.425 1.372 1.00 0.81 C ATOM 1135 O ARG A 76 29.824 -15.118 1.040 1.00 0.89 O ATOM 1136 CB ARG A 76 27.439 -14.659 3.405 1.00 1.00 C ATOM 1137 CG ARG A 76 27.727 -15.159 4.821 1.00 1.21 C ATOM 1138 CD ARG A 76 27.869 -13.966 5.767 1.00 1.28 C ATOM 1139 NE ARG A 76 29.169 -14.190 6.462 1.00 1.43 N ATOM 1140 CZ ARG A 76 29.270 -13.981 7.737 1.00 1.67 C ATOM 1141 NH1 ARG A 76 29.497 -12.785 8.177 1.00 1.76 N ATOM 1142 NH2 ARG A 76 29.138 -14.969 8.564 1.00 2.26 N ATOM 0 H ARG A 76 27.500 -12.270 3.224 1.00 0.82 H new ATOM 0 HA ARG A 76 29.590 -14.273 3.375 1.00 0.87 H new ATOM 0 HB2 ARG A 76 26.613 -13.947 3.422 1.00 1.00 H new ATOM 0 HB3 ARG A 76 27.130 -15.491 2.772 1.00 1.00 H new ATOM 0 HG2 ARG A 76 26.921 -15.810 5.159 1.00 1.21 H new ATOM 0 HG3 ARG A 76 28.641 -15.753 4.829 1.00 1.21 H new ATOM 0 HD2 ARG A 76 27.869 -13.024 5.219 1.00 1.28 H new ATOM 0 HD3 ARG A 76 27.043 -13.922 6.476 1.00 1.28 H new ATOM 0 HE ARG A 76 29.981 -14.508 5.933 1.00 1.43 H new ATOM 0 HH11 ARG A 76 29.596 -12.010 7.521 1.00 1.76 H new ATOM 0 HH12 ARG A 76 29.577 -12.617 9.180 1.00 1.76 H new ATOM 0 HH21 ARG A 76 28.955 -15.908 8.211 1.00 2.26 H new ATOM 0 HH22 ARG A 76 29.217 -14.808 9.568 1.00 2.26 H new ATOM 1156 N LYS A 77 27.995 -14.014 0.504 1.00 0.82 N ATOM 1157 CA LYS A 77 28.122 -14.392 -0.934 1.00 0.97 C ATOM 1158 C LYS A 77 29.436 -13.858 -1.506 1.00 0.99 C ATOM 1159 O LYS A 77 30.135 -14.551 -2.226 1.00 1.14 O ATOM 1160 CB LYS A 77 26.917 -13.752 -1.630 1.00 1.08 C ATOM 1161 CG LYS A 77 25.883 -14.836 -1.944 1.00 1.29 C ATOM 1162 CD LYS A 77 25.649 -14.907 -3.457 1.00 1.68 C ATOM 1163 CE LYS A 77 26.561 -15.977 -4.080 1.00 1.73 C ATOM 1164 NZ LYS A 77 27.885 -15.304 -4.265 1.00 1.91 N ATOM 0 H LYS A 77 27.188 -13.433 0.729 1.00 0.82 H new ATOM 0 HA LYS A 77 28.135 -15.472 -1.077 1.00 0.97 H new ATOM 0 HB2 LYS A 77 26.477 -12.987 -0.991 1.00 1.08 H new ATOM 0 HB3 LYS A 77 27.233 -13.257 -2.548 1.00 1.08 H new ATOM 0 HG2 LYS A 77 26.230 -15.801 -1.575 1.00 1.29 H new ATOM 0 HG3 LYS A 77 24.946 -14.617 -1.432 1.00 1.29 H new ATOM 0 HD2 LYS A 77 24.605 -15.144 -3.661 1.00 1.68 H new ATOM 0 HD3 LYS A 77 25.851 -13.937 -3.911 1.00 1.68 H new ATOM 0 HE2 LYS A 77 26.649 -16.847 -3.429 1.00 1.73 H new ATOM 0 HE3 LYS A 77 26.162 -16.329 -5.031 1.00 1.73 H new ATOM 0 HZ1 LYS A 77 28.388 -15.742 -5.063 1.00 1.91 H new ATOM 0 HZ2 LYS A 77 27.736 -14.294 -4.462 1.00 1.91 H new ATOM 0 HZ3 LYS A 77 28.452 -15.409 -3.399 1.00 1.91 H new ATOM 1178 N ALA A 78 29.778 -12.643 -1.177 1.00 0.92 N ATOM 1179 CA ALA A 78 31.057 -12.051 -1.677 1.00 1.04 C ATOM 1180 C ALA A 78 32.243 -12.839 -1.116 1.00 1.02 C ATOM 1181 O ALA A 78 33.188 -13.140 -1.820 1.00 1.16 O ATOM 1182 CB ALA A 78 31.055 -10.609 -1.162 1.00 1.09 C ATOM 0 H ALA A 78 29.225 -12.029 -0.580 1.00 0.92 H new ATOM 0 HA ALA A 78 31.142 -12.083 -2.763 1.00 1.04 H new ATOM 0 HB1 ALA A 78 31.965 -10.105 -1.488 1.00 1.09 H new ATOM 0 HB2 ALA A 78 30.187 -10.082 -1.558 1.00 1.09 H new ATOM 0 HB3 ALA A 78 31.012 -10.612 -0.073 1.00 1.09 H new ATOM 1188 N LYS A 79 32.181 -13.195 0.139 1.00 0.92 N ATOM 1189 CA LYS A 79 33.286 -13.993 0.755 1.00 1.03 C ATOM 1190 C LYS A 79 33.301 -15.395 0.140 1.00 1.10 C ATOM 1191 O LYS A 79 34.330 -15.890 -0.271 1.00 1.25 O ATOM 1192 CB LYS A 79 32.958 -14.060 2.249 1.00 1.07 C ATOM 1193 CG LYS A 79 33.274 -12.714 2.904 1.00 1.27 C ATOM 1194 CD LYS A 79 33.982 -12.947 4.238 1.00 1.47 C ATOM 1195 CE LYS A 79 34.541 -11.617 4.743 1.00 1.98 C ATOM 1196 NZ LYS A 79 33.707 -11.271 5.930 1.00 1.89 N ATOM 0 H LYS A 79 31.411 -12.968 0.768 1.00 0.92 H new ATOM 0 HA LYS A 79 34.267 -13.550 0.586 1.00 1.03 H new ATOM 0 HB2 LYS A 79 31.906 -14.306 2.390 1.00 1.07 H new ATOM 0 HB3 LYS A 79 33.537 -14.852 2.724 1.00 1.07 H new ATOM 0 HG2 LYS A 79 33.905 -12.117 2.245 1.00 1.27 H new ATOM 0 HG3 LYS A 79 32.355 -12.150 3.062 1.00 1.27 H new ATOM 0 HD2 LYS A 79 33.286 -13.364 4.966 1.00 1.47 H new ATOM 0 HD3 LYS A 79 34.787 -13.672 4.116 1.00 1.47 H new ATOM 0 HE2 LYS A 79 35.593 -11.709 5.013 1.00 1.98 H new ATOM 0 HE3 LYS A 79 34.475 -10.845 3.976 1.00 1.98 H new ATOM 0 HZ1 LYS A 79 33.940 -10.309 6.249 1.00 1.89 H new ATOM 0 HZ2 LYS A 79 32.700 -11.316 5.672 1.00 1.89 H new ATOM 0 HZ3 LYS A 79 33.898 -11.946 6.697 1.00 1.89 H new ATOM 1210 N LEU A 80 32.156 -16.029 0.056 1.00 1.08 N ATOM 1211 CA LEU A 80 32.092 -17.390 -0.555 1.00 1.26 C ATOM 1212 C LEU A 80 32.673 -17.346 -1.971 1.00 1.37 C ATOM 1213 O LEU A 80 33.371 -18.247 -2.393 1.00 1.57 O ATOM 1214 CB LEU A 80 30.602 -17.753 -0.591 1.00 1.27 C ATOM 1215 CG LEU A 80 30.440 -19.207 -1.049 1.00 1.56 C ATOM 1216 CD1 LEU A 80 30.006 -20.072 0.133 1.00 1.84 C ATOM 1217 CD2 LEU A 80 29.377 -19.290 -2.147 1.00 1.84 C ATOM 0 H LEU A 80 31.264 -15.661 0.385 1.00 1.08 H new ATOM 0 HA LEU A 80 32.666 -18.126 0.009 1.00 1.26 H new ATOM 0 HB2 LEU A 80 30.161 -17.621 0.397 1.00 1.27 H new ATOM 0 HB3 LEU A 80 30.071 -17.086 -1.270 1.00 1.27 H new ATOM 0 HG LEU A 80 31.394 -19.565 -1.437 1.00 1.56 H new ATOM 0 HD11 LEU A 80 29.891 -21.105 -0.195 1.00 1.84 H new ATOM 0 HD12 LEU A 80 30.761 -20.022 0.917 1.00 1.84 H new ATOM 0 HD13 LEU A 80 29.055 -19.707 0.521 1.00 1.84 H new ATOM 0 HD21 LEU A 80 29.266 -20.326 -2.469 1.00 1.84 H new ATOM 0 HD22 LEU A 80 28.425 -18.926 -1.760 1.00 1.84 H new ATOM 0 HD23 LEU A 80 29.682 -18.677 -2.995 1.00 1.84 H new