USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 293 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 GLN : amide:sc= 1.04 K(o=1.7,f=-18!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -174:sc= 0.623 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00977 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= 0.875 (180deg=0.658) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.792 -21.426 -5.988 1.00 1.78 N ATOM 175 CA VAL A 14 -0.307 -20.555 -5.462 1.00 1.67 C ATOM 176 C VAL A 14 0.103 -19.955 -4.107 1.00 1.81 C ATOM 177 O VAL A 14 -0.202 -18.817 -3.801 1.00 1.78 O ATOM 178 CB VAL A 14 -1.511 -21.495 -5.300 1.00 1.69 C ATOM 179 CG1 VAL A 14 -2.638 -20.779 -4.550 1.00 1.79 C ATOM 180 CG2 VAL A 14 -2.022 -21.923 -6.679 1.00 1.64 C ATOM 0 HA VAL A 14 -0.533 -19.719 -6.124 1.00 1.67 H new ATOM 0 HB VAL A 14 -1.198 -22.372 -4.734 1.00 1.69 H new ATOM 0 HG11 VAL A 14 -3.487 -21.453 -4.440 1.00 1.79 H new ATOM 0 HG12 VAL A 14 -2.284 -20.477 -3.564 1.00 1.79 H new ATOM 0 HG13 VAL A 14 -2.945 -19.897 -5.111 1.00 1.79 H new ATOM 0 HG21 VAL A 14 -2.876 -22.590 -6.560 1.00 1.64 H new ATOM 0 HG22 VAL A 14 -2.326 -21.042 -7.244 1.00 1.64 H new ATOM 0 HG23 VAL A 14 -1.228 -22.443 -7.216 1.00 1.64 H new ATOM 190 N VAL A 15 0.796 -20.711 -3.294 1.00 2.05 N ATOM 191 CA VAL A 15 1.227 -20.186 -1.960 1.00 2.29 C ATOM 192 C VAL A 15 2.301 -19.113 -2.130 1.00 2.30 C ATOM 193 O VAL A 15 2.190 -18.021 -1.602 1.00 2.30 O ATOM 194 CB VAL A 15 1.779 -21.404 -1.203 1.00 2.60 C ATOM 195 CG1 VAL A 15 2.588 -20.943 0.013 1.00 2.93 C ATOM 196 CG2 VAL A 15 0.620 -22.285 -0.727 1.00 2.68 C ATOM 0 H VAL A 15 1.083 -21.669 -3.495 1.00 2.05 H new ATOM 0 HA VAL A 15 0.405 -19.718 -1.419 1.00 2.29 H new ATOM 0 HB VAL A 15 2.423 -21.972 -1.874 1.00 2.60 H new ATOM 0 HG11 VAL A 15 2.975 -21.813 0.543 1.00 2.93 H new ATOM 0 HG12 VAL A 15 3.419 -20.320 -0.318 1.00 2.93 H new ATOM 0 HG13 VAL A 15 1.946 -20.367 0.680 1.00 2.93 H new ATOM 0 HG21 VAL A 15 1.015 -23.148 -0.191 1.00 2.68 H new ATOM 0 HG22 VAL A 15 -0.026 -21.710 -0.063 1.00 2.68 H new ATOM 0 HG23 VAL A 15 0.044 -22.625 -1.588 1.00 2.68 H new ATOM 206 N THR A 16 3.332 -19.418 -2.868 1.00 2.36 N ATOM 207 CA THR A 16 4.430 -18.428 -3.093 1.00 2.45 C ATOM 208 C THR A 16 3.863 -17.131 -3.670 1.00 2.19 C ATOM 209 O THR A 16 4.132 -16.056 -3.172 1.00 2.22 O ATOM 210 CB THR A 16 5.399 -19.097 -4.076 1.00 2.61 C ATOM 211 OG1 THR A 16 4.683 -19.595 -5.196 1.00 2.35 O ATOM 212 CG2 THR A 16 6.128 -20.248 -3.382 1.00 2.98 C ATOM 0 H THR A 16 3.465 -20.318 -3.330 1.00 2.36 H new ATOM 0 HA THR A 16 4.936 -18.161 -2.165 1.00 2.45 H new ATOM 0 HB THR A 16 6.127 -18.360 -4.414 1.00 2.61 H new ATOM 0 HG1 THR A 16 5.307 -20.019 -5.821 1.00 2.35 H new ATOM 0 HG21 THR A 16 6.815 -20.720 -4.085 1.00 2.98 H new ATOM 0 HG22 THR A 16 6.688 -19.863 -2.530 1.00 2.98 H new ATOM 0 HG23 THR A 16 5.401 -20.983 -3.036 1.00 2.98 H new ATOM 220 N VAL A 17 3.067 -17.217 -4.699 1.00 1.97 N ATOM 221 CA VAL A 17 2.477 -15.973 -5.279 1.00 1.79 C ATOM 222 C VAL A 17 1.529 -15.314 -4.262 1.00 1.68 C ATOM 223 O VAL A 17 1.456 -14.106 -4.182 1.00 1.63 O ATOM 224 CB VAL A 17 1.727 -16.395 -6.551 1.00 1.71 C ATOM 225 CG1 VAL A 17 2.690 -17.073 -7.528 1.00 1.91 C ATOM 226 CG2 VAL A 17 0.591 -17.362 -6.212 1.00 1.61 C ATOM 0 H VAL A 17 2.800 -18.086 -5.162 1.00 1.97 H new ATOM 0 HA VAL A 17 3.245 -15.238 -5.518 1.00 1.79 H new ATOM 0 HB VAL A 17 1.308 -15.500 -7.011 1.00 1.71 H new ATOM 0 HG11 VAL A 17 2.148 -17.368 -8.427 1.00 1.91 H new ATOM 0 HG12 VAL A 17 3.486 -16.378 -7.796 1.00 1.91 H new ATOM 0 HG13 VAL A 17 3.123 -17.956 -7.058 1.00 1.91 H new ATOM 0 HG21 VAL A 17 0.072 -17.649 -7.127 1.00 1.61 H new ATOM 0 HG22 VAL A 17 1.001 -18.251 -5.733 1.00 1.61 H new ATOM 0 HG23 VAL A 17 -0.111 -16.876 -5.534 1.00 1.61 H new ATOM 236 N ILE A 18 0.814 -16.091 -3.471 1.00 1.74 N ATOM 237 CA ILE A 18 -0.108 -15.476 -2.458 1.00 1.80 C ATOM 238 C ILE A 18 0.692 -14.770 -1.370 1.00 1.97 C ATOM 239 O ILE A 18 0.421 -13.632 -1.050 1.00 1.93 O ATOM 240 CB ILE A 18 -0.940 -16.638 -1.890 1.00 1.96 C ATOM 241 CG1 ILE A 18 -2.108 -16.938 -2.837 1.00 1.86 C ATOM 242 CG2 ILE A 18 -1.495 -16.271 -0.509 1.00 2.25 C ATOM 243 CD1 ILE A 18 -3.091 -15.762 -2.846 1.00 1.95 C ATOM 0 H ILE A 18 0.830 -17.111 -3.484 1.00 1.74 H new ATOM 0 HA ILE A 18 -0.754 -14.717 -2.900 1.00 1.80 H new ATOM 0 HB ILE A 18 -0.300 -17.515 -1.796 1.00 1.96 H new ATOM 0 HG12 ILE A 18 -1.733 -17.117 -3.845 1.00 1.86 H new ATOM 0 HG13 ILE A 18 -2.619 -17.847 -2.521 1.00 1.86 H new ATOM 0 HG21 ILE A 18 -2.082 -17.103 -0.120 1.00 2.25 H new ATOM 0 HG22 ILE A 18 -0.669 -16.060 0.171 1.00 2.25 H new ATOM 0 HG23 ILE A 18 -2.129 -15.389 -0.594 1.00 2.25 H new ATOM 0 HD11 ILE A 18 -3.917 -15.984 -3.521 1.00 1.95 H new ATOM 0 HD12 ILE A 18 -3.478 -15.603 -1.839 1.00 1.95 H new ATOM 0 HD13 ILE A 18 -2.578 -14.862 -3.184 1.00 1.95 H new ATOM 255 N VAL A 19 1.680 -15.408 -0.810 1.00 2.19 N ATOM 256 CA VAL A 19 2.484 -14.717 0.240 1.00 2.41 C ATOM 257 C VAL A 19 3.193 -13.508 -0.389 1.00 2.27 C ATOM 258 O VAL A 19 3.295 -12.457 0.218 1.00 2.31 O ATOM 259 CB VAL A 19 3.482 -15.753 0.787 1.00 2.72 C ATOM 260 CG1 VAL A 19 2.726 -16.947 1.374 1.00 2.87 C ATOM 261 CG2 VAL A 19 4.417 -16.246 -0.319 1.00 2.69 C ATOM 0 H VAL A 19 1.964 -16.363 -1.028 1.00 2.19 H new ATOM 0 HA VAL A 19 1.868 -14.340 1.057 1.00 2.41 H new ATOM 0 HB VAL A 19 4.076 -15.273 1.564 1.00 2.72 H new ATOM 0 HG11 VAL A 19 3.439 -17.676 1.759 1.00 2.87 H new ATOM 0 HG12 VAL A 19 2.082 -16.607 2.185 1.00 2.87 H new ATOM 0 HG13 VAL A 19 2.118 -17.410 0.597 1.00 2.87 H new ATOM 0 HG21 VAL A 19 5.113 -16.977 0.092 1.00 2.69 H new ATOM 0 HG22 VAL A 19 3.830 -16.710 -1.112 1.00 2.69 H new ATOM 0 HG23 VAL A 19 4.975 -15.403 -0.726 1.00 2.69 H new ATOM 271 N ILE A 20 3.641 -13.632 -1.620 1.00 2.15 N ATOM 272 CA ILE A 20 4.294 -12.470 -2.299 1.00 2.10 C ATOM 273 C ILE A 20 3.247 -11.380 -2.518 1.00 1.85 C ATOM 274 O ILE A 20 3.452 -10.229 -2.179 1.00 1.86 O ATOM 275 CB ILE A 20 4.822 -13.014 -3.636 1.00 2.14 C ATOM 276 CG1 ILE A 20 6.055 -13.880 -3.373 1.00 2.46 C ATOM 277 CG2 ILE A 20 5.211 -11.853 -4.559 1.00 2.15 C ATOM 278 CD1 ILE A 20 6.455 -14.619 -4.655 1.00 2.58 C ATOM 0 H ILE A 20 3.582 -14.484 -2.178 1.00 2.15 H new ATOM 0 HA ILE A 20 5.106 -12.035 -1.716 1.00 2.10 H new ATOM 0 HB ILE A 20 4.043 -13.607 -4.115 1.00 2.14 H new ATOM 0 HG12 ILE A 20 6.881 -13.258 -3.029 1.00 2.46 H new ATOM 0 HG13 ILE A 20 5.844 -14.597 -2.580 1.00 2.46 H new ATOM 0 HG21 ILE A 20 5.584 -12.249 -5.504 1.00 2.15 H new ATOM 0 HG22 ILE A 20 4.337 -11.229 -4.747 1.00 2.15 H new ATOM 0 HG23 ILE A 20 5.989 -11.255 -4.084 1.00 2.15 H new ATOM 0 HD11 ILE A 20 7.334 -15.234 -4.461 1.00 2.58 H new ATOM 0 HD12 ILE A 20 5.632 -15.255 -4.980 1.00 2.58 H new ATOM 0 HD13 ILE A 20 6.684 -13.894 -5.436 1.00 2.58 H new ATOM 290 N LEU A 21 2.115 -11.747 -3.052 1.00 1.69 N ATOM 291 CA LEU A 21 1.024 -10.748 -3.266 1.00 1.56 C ATOM 292 C LEU A 21 0.643 -10.132 -1.917 1.00 1.65 C ATOM 293 O LEU A 21 0.589 -8.924 -1.769 1.00 1.63 O ATOM 294 CB LEU A 21 -0.149 -11.542 -3.854 1.00 1.53 C ATOM 295 CG LEU A 21 0.009 -11.644 -5.372 1.00 1.54 C ATOM 296 CD1 LEU A 21 -0.859 -12.787 -5.900 1.00 1.60 C ATOM 297 CD2 LEU A 21 -0.435 -10.332 -6.021 1.00 1.66 C ATOM 0 H LEU A 21 1.896 -12.697 -3.351 1.00 1.69 H new ATOM 0 HA LEU A 21 1.318 -9.935 -3.930 1.00 1.56 H new ATOM 0 HB2 LEU A 21 -0.183 -12.539 -3.414 1.00 1.53 H new ATOM 0 HB3 LEU A 21 -1.092 -11.053 -3.609 1.00 1.53 H new ATOM 0 HG LEU A 21 1.054 -11.836 -5.614 1.00 1.54 H new ATOM 0 HD11 LEU A 21 -0.746 -12.860 -6.982 1.00 1.60 H new ATOM 0 HD12 LEU A 21 -0.547 -13.724 -5.439 1.00 1.60 H new ATOM 0 HD13 LEU A 21 -1.904 -12.593 -5.656 1.00 1.60 H new ATOM 0 HD21 LEU A 21 -0.322 -10.405 -7.103 1.00 1.66 H new ATOM 0 HD22 LEU A 21 -1.480 -10.141 -5.777 1.00 1.66 H new ATOM 0 HD23 LEU A 21 0.181 -9.514 -5.646 1.00 1.66 H new ATOM 309 N ILE A 22 0.411 -10.961 -0.923 1.00 1.83 N ATOM 310 CA ILE A 22 0.066 -10.427 0.431 1.00 2.04 C ATOM 311 C ILE A 22 1.173 -9.474 0.902 1.00 2.08 C ATOM 312 O ILE A 22 0.907 -8.400 1.411 1.00 2.11 O ATOM 313 CB ILE A 22 -0.031 -11.660 1.343 1.00 2.31 C ATOM 314 CG1 ILE A 22 -1.383 -12.350 1.129 1.00 2.38 C ATOM 315 CG2 ILE A 22 0.087 -11.235 2.811 1.00 2.66 C ATOM 316 CD1 ILE A 22 -1.347 -13.751 1.747 1.00 2.63 C ATOM 0 H ILE A 22 0.446 -11.978 -0.993 1.00 1.83 H new ATOM 0 HA ILE A 22 -0.866 -9.862 0.436 1.00 2.04 H new ATOM 0 HB ILE A 22 0.779 -12.347 1.098 1.00 2.31 H new ATOM 0 HG12 ILE A 22 -2.180 -11.761 1.584 1.00 2.38 H new ATOM 0 HG13 ILE A 22 -1.604 -12.417 0.064 1.00 2.38 H new ATOM 0 HG21 ILE A 22 0.017 -12.114 3.451 1.00 2.66 H new ATOM 0 HG22 ILE A 22 1.047 -10.744 2.972 1.00 2.66 H new ATOM 0 HG23 ILE A 22 -0.719 -10.543 3.056 1.00 2.66 H new ATOM 0 HD11 ILE A 22 -2.309 -14.241 1.594 1.00 2.63 H new ATOM 0 HD12 ILE A 22 -0.561 -14.338 1.272 1.00 2.63 H new ATOM 0 HD13 ILE A 22 -1.145 -13.672 2.815 1.00 2.63 H new ATOM 328 N ALA A 23 2.411 -9.851 0.710 1.00 2.12 N ATOM 329 CA ALA A 23 3.542 -8.963 1.124 1.00 2.23 C ATOM 330 C ALA A 23 3.513 -7.669 0.300 1.00 2.01 C ATOM 331 O ALA A 23 3.625 -6.583 0.839 1.00 2.05 O ATOM 332 CB ALA A 23 4.816 -9.766 0.842 1.00 2.41 C ATOM 0 H ALA A 23 2.689 -10.735 0.284 1.00 2.12 H new ATOM 0 HA ALA A 23 3.482 -8.675 2.173 1.00 2.23 H new ATOM 0 HB1 ALA A 23 5.688 -9.175 1.122 1.00 2.41 H new ATOM 0 HB2 ALA A 23 4.801 -10.688 1.423 1.00 2.41 H new ATOM 0 HB3 ALA A 23 4.867 -10.007 -0.220 1.00 2.41 H new ATOM 338 N ILE A 24 3.337 -7.774 -0.997 1.00 1.82 N ATOM 339 CA ILE A 24 3.272 -6.543 -1.849 1.00 1.69 C ATOM 340 C ILE A 24 2.116 -5.660 -1.364 1.00 1.58 C ATOM 341 O ILE A 24 2.270 -4.465 -1.177 1.00 1.56 O ATOM 342 CB ILE A 24 3.014 -7.051 -3.276 1.00 1.64 C ATOM 343 CG1 ILE A 24 4.285 -7.711 -3.821 1.00 1.84 C ATOM 344 CG2 ILE A 24 2.624 -5.881 -4.186 1.00 1.64 C ATOM 345 CD1 ILE A 24 3.933 -8.564 -5.043 1.00 1.84 C ATOM 0 H ILE A 24 3.236 -8.655 -1.500 1.00 1.82 H new ATOM 0 HA ILE A 24 4.183 -5.946 -1.804 1.00 1.69 H new ATOM 0 HB ILE A 24 2.201 -7.777 -3.253 1.00 1.64 H new ATOM 0 HG12 ILE A 24 5.015 -6.949 -4.094 1.00 1.84 H new ATOM 0 HG13 ILE A 24 4.744 -8.331 -3.051 1.00 1.84 H new ATOM 0 HG21 ILE A 24 2.443 -6.250 -5.196 1.00 1.64 H new ATOM 0 HG22 ILE A 24 1.719 -5.409 -3.804 1.00 1.64 H new ATOM 0 HG23 ILE A 24 3.433 -5.151 -4.206 1.00 1.64 H new ATOM 0 HD11 ILE A 24 4.837 -9.034 -5.431 1.00 1.84 H new ATOM 0 HD12 ILE A 24 3.218 -9.335 -4.755 1.00 1.84 H new ATOM 0 HD13 ILE A 24 3.493 -7.931 -5.814 1.00 1.84 H new ATOM 357 N ALA A 25 0.964 -6.249 -1.135 1.00 1.61 N ATOM 358 CA ALA A 25 -0.203 -5.458 -0.639 1.00 1.67 C ATOM 359 C ALA A 25 0.110 -4.882 0.745 1.00 1.82 C ATOM 360 O ALA A 25 -0.123 -3.715 1.007 1.00 1.83 O ATOM 361 CB ALA A 25 -1.364 -6.455 -0.572 1.00 1.81 C ATOM 0 H ALA A 25 0.785 -7.244 -1.271 1.00 1.61 H new ATOM 0 HA ALA A 25 -0.442 -4.614 -1.286 1.00 1.67 H new ATOM 0 HB1 ALA A 25 -2.260 -5.947 -0.215 1.00 1.81 H new ATOM 0 HB2 ALA A 25 -1.550 -6.864 -1.565 1.00 1.81 H new ATOM 0 HB3 ALA A 25 -1.109 -7.265 0.112 1.00 1.81 H new ATOM 367 N ALA A 26 0.660 -5.683 1.620 1.00 1.98 N ATOM 368 CA ALA A 26 1.020 -5.179 2.982 1.00 2.20 C ATOM 369 C ALA A 26 2.029 -4.032 2.848 1.00 2.10 C ATOM 370 O ALA A 26 1.901 -3.002 3.485 1.00 2.15 O ATOM 371 CB ALA A 26 1.642 -6.378 3.705 1.00 2.45 C ATOM 0 H ALA A 26 0.876 -6.665 1.452 1.00 1.98 H new ATOM 0 HA ALA A 26 0.161 -4.792 3.530 1.00 2.20 H new ATOM 0 HB1 ALA A 26 1.932 -6.084 4.714 1.00 2.45 H new ATOM 0 HB2 ALA A 26 0.915 -7.188 3.758 1.00 2.45 H new ATOM 0 HB3 ALA A 26 2.522 -6.716 3.158 1.00 2.45 H new ATOM 377 N LEU A 27 3.014 -4.195 1.994 1.00 2.01 N ATOM 378 CA LEU A 27 4.015 -3.107 1.781 1.00 1.98 C ATOM 379 C LEU A 27 3.300 -1.882 1.204 1.00 1.77 C ATOM 380 O LEU A 27 3.474 -0.772 1.677 1.00 1.80 O ATOM 381 CB LEU A 27 5.029 -3.679 0.781 1.00 1.99 C ATOM 382 CG LEU A 27 5.883 -2.544 0.208 1.00 1.99 C ATOM 383 CD1 LEU A 27 7.364 -2.896 0.343 1.00 2.36 C ATOM 384 CD2 LEU A 27 5.542 -2.340 -1.271 1.00 1.90 C ATOM 0 H LEU A 27 3.165 -5.036 1.437 1.00 2.01 H new ATOM 0 HA LEU A 27 4.510 -2.794 2.701 1.00 1.98 H new ATOM 0 HB2 LEU A 27 5.666 -4.414 1.274 1.00 1.99 H new ATOM 0 HB3 LEU A 27 4.508 -4.198 -0.024 1.00 1.99 H new ATOM 0 HG LEU A 27 5.676 -1.626 0.759 1.00 1.99 H new ATOM 0 HD11 LEU A 27 7.969 -2.087 -0.066 1.00 2.36 H new ATOM 0 HD12 LEU A 27 7.610 -3.037 1.395 1.00 2.36 H new ATOM 0 HD13 LEU A 27 7.571 -3.816 -0.205 1.00 2.36 H new ATOM 0 HD21 LEU A 27 6.151 -1.532 -1.677 1.00 1.90 H new ATOM 0 HD22 LEU A 27 5.745 -3.259 -1.821 1.00 1.90 H new ATOM 0 HD23 LEU A 27 4.487 -2.084 -1.369 1.00 1.90 H new ATOM 396 N GLY A 28 2.473 -2.080 0.201 1.00 1.60 N ATOM 397 CA GLY A 28 1.722 -0.931 -0.388 1.00 1.48 C ATOM 398 C GLY A 28 0.880 -0.280 0.714 1.00 1.58 C ATOM 399 O GLY A 28 0.807 0.930 0.816 1.00 1.57 O ATOM 0 H GLY A 28 2.289 -2.986 -0.231 1.00 1.60 H new ATOM 0 HA2 GLY A 28 2.415 -0.205 -0.813 1.00 1.48 H new ATOM 0 HA3 GLY A 28 1.081 -1.274 -1.200 1.00 1.48 H new ATOM 403 N ALA A 29 0.260 -1.078 1.552 1.00 1.75 N ATOM 404 CA ALA A 29 -0.563 -0.510 2.663 1.00 1.96 C ATOM 405 C ALA A 29 0.331 0.232 3.661 1.00 2.03 C ATOM 406 O ALA A 29 0.043 1.349 4.055 1.00 2.08 O ATOM 407 CB ALA A 29 -1.233 -1.721 3.320 1.00 2.18 C ATOM 0 H ALA A 29 0.290 -2.097 1.513 1.00 1.75 H new ATOM 0 HA ALA A 29 -1.297 0.213 2.308 1.00 1.96 H new ATOM 0 HB1 ALA A 29 -1.857 -1.386 4.149 1.00 2.18 H new ATOM 0 HB2 ALA A 29 -1.851 -2.238 2.586 1.00 2.18 H new ATOM 0 HB3 ALA A 29 -0.468 -2.402 3.694 1.00 2.18 H new ATOM 413 N LEU A 30 1.419 -0.375 4.057 1.00 2.09 N ATOM 414 CA LEU A 30 2.352 0.291 5.022 1.00 2.24 C ATOM 415 C LEU A 30 2.916 1.577 4.395 1.00 2.03 C ATOM 416 O LEU A 30 3.077 2.579 5.067 1.00 2.10 O ATOM 417 CB LEU A 30 3.451 -0.757 5.324 1.00 2.43 C ATOM 418 CG LEU A 30 4.772 -0.420 4.613 1.00 2.40 C ATOM 419 CD1 LEU A 30 5.521 0.662 5.393 1.00 2.56 C ATOM 420 CD2 LEU A 30 5.641 -1.677 4.549 1.00 2.61 C ATOM 0 H LEU A 30 1.705 -1.306 3.754 1.00 2.09 H new ATOM 0 HA LEU A 30 1.862 0.599 5.946 1.00 2.24 H new ATOM 0 HB2 LEU A 30 3.620 -0.807 6.400 1.00 2.43 H new ATOM 0 HB3 LEU A 30 3.110 -1.743 5.009 1.00 2.43 H new ATOM 0 HG LEU A 30 4.557 -0.059 3.607 1.00 2.40 H new ATOM 0 HD11 LEU A 30 6.456 0.896 4.884 1.00 2.56 H new ATOM 0 HD12 LEU A 30 4.906 1.560 5.452 1.00 2.56 H new ATOM 0 HD13 LEU A 30 5.736 0.302 6.399 1.00 2.56 H new ATOM 0 HD21 LEU A 30 6.580 -1.445 4.046 1.00 2.61 H new ATOM 0 HD22 LEU A 30 5.848 -2.028 5.560 1.00 2.61 H new ATOM 0 HD23 LEU A 30 5.115 -2.455 3.996 1.00 2.61 H new ATOM 432 N ILE A 31 3.188 1.566 3.111 1.00 1.83 N ATOM 433 CA ILE A 31 3.712 2.801 2.451 1.00 1.70 C ATOM 434 C ILE A 31 2.589 3.836 2.368 1.00 1.60 C ATOM 435 O ILE A 31 2.771 4.988 2.717 1.00 1.62 O ATOM 436 CB ILE A 31 4.177 2.356 1.056 1.00 1.62 C ATOM 437 CG1 ILE A 31 5.609 1.824 1.159 1.00 1.86 C ATOM 438 CG2 ILE A 31 4.150 3.545 0.086 1.00 1.67 C ATOM 439 CD1 ILE A 31 5.997 1.129 -0.146 1.00 1.91 C ATOM 0 H ILE A 31 3.070 0.760 2.497 1.00 1.83 H new ATOM 0 HA ILE A 31 4.534 3.262 2.998 1.00 1.70 H new ATOM 0 HB ILE A 31 3.510 1.578 0.684 1.00 1.62 H new ATOM 0 HG12 ILE A 31 6.298 2.644 1.364 1.00 1.86 H new ATOM 0 HG13 ILE A 31 5.688 1.125 1.992 1.00 1.86 H new ATOM 0 HG21 ILE A 31 4.481 3.218 -0.900 1.00 1.67 H new ATOM 0 HG22 ILE A 31 3.134 3.935 0.016 1.00 1.67 H new ATOM 0 HG23 ILE A 31 4.815 4.328 0.451 1.00 1.67 H new ATOM 0 HD11 ILE A 31 7.017 0.752 -0.068 1.00 1.91 H new ATOM 0 HD12 ILE A 31 5.316 0.298 -0.332 1.00 1.91 H new ATOM 0 HD13 ILE A 31 5.935 1.840 -0.969 1.00 1.91 H new ATOM 451 N LEU A 32 1.422 3.425 1.932 1.00 1.57 N ATOM 452 CA LEU A 32 0.274 4.375 1.850 1.00 1.62 C ATOM 453 C LEU A 32 -0.016 4.956 3.238 1.00 1.77 C ATOM 454 O LEU A 32 -0.174 6.149 3.392 1.00 1.78 O ATOM 455 CB LEU A 32 -0.915 3.545 1.357 1.00 1.71 C ATOM 456 CG LEU A 32 -2.125 4.465 1.180 1.00 1.87 C ATOM 457 CD1 LEU A 32 -2.338 4.744 -0.305 1.00 2.01 C ATOM 458 CD2 LEU A 32 -3.368 3.792 1.760 1.00 2.27 C ATOM 0 H LEU A 32 1.218 2.472 1.630 1.00 1.57 H new ATOM 0 HA LEU A 32 0.479 5.211 1.182 1.00 1.62 H new ATOM 0 HB2 LEU A 32 -0.670 3.060 0.412 1.00 1.71 H new ATOM 0 HB3 LEU A 32 -1.144 2.754 2.071 1.00 1.71 H new ATOM 0 HG LEU A 32 -1.947 5.405 1.703 1.00 1.87 H new ATOM 0 HD11 LEU A 32 -3.200 5.399 -0.432 1.00 2.01 H new ATOM 0 HD12 LEU A 32 -1.451 5.227 -0.715 1.00 2.01 H new ATOM 0 HD13 LEU A 32 -2.515 3.805 -0.830 1.00 2.01 H new ATOM 0 HD21 LEU A 32 -4.229 4.448 1.634 1.00 2.27 H new ATOM 0 HD22 LEU A 32 -3.549 2.851 1.240 1.00 2.27 H new ATOM 0 HD23 LEU A 32 -3.214 3.596 2.821 1.00 2.27 H new ATOM 470 N GLY A 33 -0.074 4.120 4.249 1.00 1.96 N ATOM 471 CA GLY A 33 -0.339 4.626 5.632 1.00 2.19 C ATOM 472 C GLY A 33 0.769 5.601 6.036 1.00 2.14 C ATOM 473 O GLY A 33 0.514 6.750 6.343 1.00 2.18 O ATOM 0 H GLY A 33 0.051 3.110 4.175 1.00 1.96 H new ATOM 0 HA2 GLY A 33 -1.308 5.123 5.670 1.00 2.19 H new ATOM 0 HA3 GLY A 33 -0.380 3.793 6.334 1.00 2.19 H new ATOM 988 N GLN A 66 13.613 16.581 -19.502 1.00 2.72 N ATOM 989 CA GLN A 66 14.856 16.188 -20.229 1.00 2.45 C ATOM 990 C GLN A 66 15.974 15.985 -19.214 1.00 2.51 C ATOM 991 O GLN A 66 16.535 14.919 -19.101 1.00 2.40 O ATOM 992 CB GLN A 66 15.170 17.353 -21.173 1.00 2.41 C ATOM 993 CG GLN A 66 15.251 16.834 -22.613 1.00 2.18 C ATOM 994 CD GLN A 66 16.631 16.221 -22.863 1.00 2.16 C ATOM 995 OE1 GLN A 66 16.778 15.014 -22.903 1.00 2.08 O ATOM 996 NE2 GLN A 66 17.655 17.002 -23.036 1.00 2.50 N ATOM 0 HA GLN A 66 14.745 15.259 -20.789 1.00 2.45 H new ATOM 0 HB2 GLN A 66 14.398 18.118 -21.093 1.00 2.41 H new ATOM 0 HB3 GLN A 66 16.113 17.821 -20.890 1.00 2.41 H new ATOM 0 HG2 GLN A 66 14.475 16.089 -22.785 1.00 2.18 H new ATOM 0 HG3 GLN A 66 15.072 17.649 -23.314 1.00 2.18 H new ATOM 0 HE21 GLN A 66 17.536 18.014 -23.003 1.00 2.50 H new ATOM 0 HE22 GLN A 66 18.578 16.603 -23.205 1.00 2.50 H new ATOM 1005 N TYR A 67 16.267 16.996 -18.449 1.00 2.76 N ATOM 1006 CA TYR A 67 17.327 16.866 -17.403 1.00 2.91 C ATOM 1007 C TYR A 67 16.911 15.804 -16.378 1.00 2.98 C ATOM 1008 O TYR A 67 17.713 14.999 -15.943 1.00 2.91 O ATOM 1009 CB TYR A 67 17.421 18.246 -16.746 1.00 3.24 C ATOM 1010 CG TYR A 67 18.377 19.113 -17.527 1.00 3.25 C ATOM 1011 CD1 TYR A 67 19.747 19.064 -17.250 1.00 3.37 C ATOM 1012 CD2 TYR A 67 17.893 19.971 -18.521 1.00 3.28 C ATOM 1013 CE1 TYR A 67 20.635 19.870 -17.972 1.00 3.47 C ATOM 1014 CE2 TYR A 67 18.782 20.777 -19.242 1.00 3.39 C ATOM 1015 CZ TYR A 67 20.152 20.728 -18.966 1.00 3.46 C ATOM 1016 OH TYR A 67 21.026 21.522 -19.676 1.00 3.62 O ATOM 0 H TYR A 67 15.819 17.911 -18.500 1.00 2.76 H new ATOM 0 HA TYR A 67 18.286 16.557 -17.818 1.00 2.91 H new ATOM 0 HB2 TYR A 67 16.436 18.712 -16.712 1.00 3.24 H new ATOM 0 HB3 TYR A 67 17.762 18.147 -15.716 1.00 3.24 H new ATOM 0 HD1 TYR A 67 20.119 18.405 -16.480 1.00 3.37 H new ATOM 0 HD2 TYR A 67 16.835 20.011 -18.732 1.00 3.28 H new ATOM 0 HE1 TYR A 67 21.694 19.830 -17.762 1.00 3.47 H new ATOM 0 HE2 TYR A 67 18.410 21.437 -20.012 1.00 3.39 H new ATOM 0 HH TYR A 67 20.526 22.056 -20.328 1.00 3.62 H new ATOM 1026 N SER A 68 15.654 15.796 -16.008 1.00 3.16 N ATOM 1027 CA SER A 68 15.155 14.784 -15.017 1.00 3.31 C ATOM 1028 C SER A 68 15.371 13.367 -15.554 1.00 3.04 C ATOM 1029 O SER A 68 15.765 12.486 -14.827 1.00 3.09 O ATOM 1030 CB SER A 68 13.659 15.062 -14.843 1.00 3.54 C ATOM 1031 OG SER A 68 13.484 16.365 -14.305 1.00 3.82 O ATOM 0 H SER A 68 14.947 16.448 -16.349 1.00 3.16 H new ATOM 0 HA SER A 68 15.687 14.858 -14.069 1.00 3.31 H new ATOM 0 HB2 SER A 68 13.148 14.980 -15.802 1.00 3.54 H new ATOM 0 HB3 SER A 68 13.214 14.320 -14.181 1.00 3.54 H new ATOM 0 HG SER A 68 12.528 16.547 -14.194 1.00 3.82 H new ATOM 1037 N ALA A 69 15.121 13.141 -16.823 1.00 2.79 N ATOM 1038 CA ALA A 69 15.332 11.772 -17.393 1.00 2.59 C ATOM 1039 C ALA A 69 16.817 11.552 -17.730 1.00 2.33 C ATOM 1040 O ALA A 69 17.370 10.499 -17.475 1.00 2.27 O ATOM 1041 CB ALA A 69 14.470 11.722 -18.659 1.00 2.51 C ATOM 0 H ALA A 69 14.782 13.840 -17.484 1.00 2.79 H new ATOM 0 HA ALA A 69 15.054 10.989 -16.688 1.00 2.59 H new ATOM 0 HB1 ALA A 69 14.574 10.745 -19.132 1.00 2.51 H new ATOM 0 HB2 ALA A 69 13.426 11.888 -18.395 1.00 2.51 H new ATOM 0 HB3 ALA A 69 14.796 12.497 -19.352 1.00 2.51 H new ATOM 1047 N LYS A 70 17.460 12.542 -18.293 1.00 2.24 N ATOM 1048 CA LYS A 70 18.914 12.412 -18.653 1.00 2.11 C ATOM 1049 C LYS A 70 19.758 12.163 -17.406 1.00 2.29 C ATOM 1050 O LYS A 70 20.601 11.291 -17.390 1.00 2.19 O ATOM 1051 CB LYS A 70 19.313 13.747 -19.291 1.00 2.20 C ATOM 1052 CG LYS A 70 18.581 13.931 -20.620 1.00 2.04 C ATOM 1053 CD LYS A 70 19.174 12.998 -21.679 1.00 2.00 C ATOM 1054 CE LYS A 70 18.079 12.071 -22.216 1.00 2.02 C ATOM 1055 NZ LYS A 70 17.512 12.787 -23.397 1.00 2.08 N ATOM 0 H LYS A 70 17.042 13.444 -18.523 1.00 2.24 H new ATOM 0 HA LYS A 70 19.076 11.573 -19.329 1.00 2.11 H new ATOM 0 HB2 LYS A 70 19.071 14.568 -18.617 1.00 2.20 H new ATOM 0 HB3 LYS A 70 20.391 13.774 -19.453 1.00 2.20 H new ATOM 0 HG2 LYS A 70 17.519 13.720 -20.492 1.00 2.04 H new ATOM 0 HG3 LYS A 70 18.663 14.967 -20.949 1.00 2.04 H new ATOM 0 HD2 LYS A 70 19.603 13.582 -22.494 1.00 2.00 H new ATOM 0 HD3 LYS A 70 19.984 12.410 -21.248 1.00 2.00 H new ATOM 0 HE2 LYS A 70 18.487 11.101 -22.501 1.00 2.02 H new ATOM 0 HE3 LYS A 70 17.314 11.886 -21.462 1.00 2.02 H new ATOM 0 HZ1 LYS A 70 16.689 12.263 -23.758 1.00 2.08 H new ATOM 0 HZ2 LYS A 70 17.217 13.743 -23.114 1.00 2.08 H new ATOM 0 HZ3 LYS A 70 18.234 12.854 -24.142 1.00 2.08 H new ATOM 1069 N GLY A 71 19.536 12.930 -16.373 1.00 2.60 N ATOM 1070 CA GLY A 71 20.321 12.767 -15.102 1.00 2.86 C ATOM 1071 C GLY A 71 20.503 11.279 -14.768 1.00 2.72 C ATOM 1072 O GLY A 71 21.607 10.772 -14.806 1.00 2.66 O ATOM 0 H GLY A 71 18.837 13.673 -16.350 1.00 2.60 H new ATOM 0 HA2 GLY A 71 21.296 13.244 -15.206 1.00 2.86 H new ATOM 0 HA3 GLY A 71 19.806 13.269 -14.283 1.00 2.86 H new ATOM 1076 N PRO A 72 19.409 10.623 -14.461 1.00 2.74 N ATOM 1077 CA PRO A 72 19.455 9.175 -14.127 1.00 2.68 C ATOM 1078 C PRO A 72 19.879 8.351 -15.354 1.00 2.31 C ATOM 1079 O PRO A 72 20.657 7.423 -15.233 1.00 2.22 O ATOM 1080 CB PRO A 72 18.024 8.860 -13.688 1.00 2.88 C ATOM 1081 CG PRO A 72 17.192 9.908 -14.349 1.00 2.88 C ATOM 1082 CD PRO A 72 18.042 11.148 -14.402 1.00 2.89 C ATOM 0 HA PRO A 72 20.182 8.931 -13.353 1.00 2.68 H new ATOM 0 HB2 PRO A 72 17.724 7.860 -14.000 1.00 2.88 H new ATOM 0 HB3 PRO A 72 17.924 8.899 -12.603 1.00 2.88 H new ATOM 0 HG2 PRO A 72 16.896 9.596 -15.351 1.00 2.88 H new ATOM 0 HG3 PRO A 72 16.275 10.088 -13.788 1.00 2.88 H new ATOM 0 HD2 PRO A 72 17.808 11.758 -15.275 1.00 2.89 H new ATOM 0 HD3 PRO A 72 17.891 11.776 -13.524 1.00 2.89 H new ATOM 1090 N CYS A 73 19.405 8.690 -16.535 1.00 2.15 N ATOM 1091 CA CYS A 73 19.826 7.923 -17.755 1.00 1.89 C ATOM 1092 C CYS A 73 21.344 8.036 -17.926 1.00 1.81 C ATOM 1093 O CYS A 73 22.031 7.063 -18.189 1.00 1.73 O ATOM 1094 CB CYS A 73 19.090 8.576 -18.933 1.00 1.83 C ATOM 1095 SG CYS A 73 19.039 7.427 -20.333 1.00 2.14 S ATOM 0 H CYS A 73 18.753 9.456 -16.705 1.00 2.15 H new ATOM 0 HA CYS A 73 19.583 6.863 -17.685 1.00 1.89 H new ATOM 0 HB2 CYS A 73 18.077 8.848 -18.636 1.00 1.83 H new ATOM 0 HB3 CYS A 73 19.595 9.497 -19.224 1.00 1.83 H new ATOM 0 HG CYS A 73 18.413 7.983 -21.328 1.00 2.14 H new ATOM 1101 N VAL A 74 21.871 9.218 -17.741 1.00 1.96 N ATOM 1102 CA VAL A 74 23.348 9.419 -17.854 1.00 2.07 C ATOM 1103 C VAL A 74 24.035 8.759 -16.661 1.00 2.19 C ATOM 1104 O VAL A 74 25.013 8.055 -16.811 1.00 2.17 O ATOM 1105 CB VAL A 74 23.562 10.942 -17.851 1.00 2.35 C ATOM 1106 CG1 VAL A 74 25.061 11.262 -17.800 1.00 2.85 C ATOM 1107 CG2 VAL A 74 22.960 11.549 -19.124 1.00 2.30 C ATOM 0 H VAL A 74 21.339 10.059 -17.515 1.00 1.96 H new ATOM 0 HA VAL A 74 23.767 8.974 -18.756 1.00 2.07 H new ATOM 0 HB VAL A 74 23.073 11.366 -16.974 1.00 2.35 H new ATOM 0 HG11 VAL A 74 25.202 12.343 -17.798 1.00 2.85 H new ATOM 0 HG12 VAL A 74 25.493 10.838 -16.893 1.00 2.85 H new ATOM 0 HG13 VAL A 74 25.555 10.833 -18.672 1.00 2.85 H new ATOM 0 HG21 VAL A 74 23.113 12.628 -19.120 1.00 2.30 H new ATOM 0 HG22 VAL A 74 23.447 11.117 -19.998 1.00 2.30 H new ATOM 0 HG23 VAL A 74 21.892 11.334 -19.160 1.00 2.30 H new ATOM 1117 N GLU A 75 23.508 8.962 -15.479 1.00 2.36 N ATOM 1118 CA GLU A 75 24.112 8.320 -14.268 1.00 2.53 C ATOM 1119 C GLU A 75 24.162 6.802 -14.467 1.00 2.27 C ATOM 1120 O GLU A 75 25.147 6.151 -14.168 1.00 2.31 O ATOM 1121 CB GLU A 75 23.179 8.686 -13.102 1.00 2.79 C ATOM 1122 CG GLU A 75 24.007 8.981 -11.843 1.00 3.16 C ATOM 1123 CD GLU A 75 24.773 7.734 -11.416 1.00 3.13 C ATOM 1124 OE1 GLU A 75 24.168 6.868 -10.804 1.00 3.20 O ATOM 1125 OE2 GLU A 75 25.954 7.661 -11.709 1.00 3.15 O ATOM 0 H GLU A 75 22.689 9.542 -15.299 1.00 2.36 H new ATOM 0 HA GLU A 75 25.131 8.658 -14.080 1.00 2.53 H new ATOM 0 HB2 GLU A 75 22.578 9.557 -13.365 1.00 2.79 H new ATOM 0 HB3 GLU A 75 22.486 7.867 -12.909 1.00 2.79 H new ATOM 0 HG2 GLU A 75 24.704 9.796 -12.039 1.00 3.16 H new ATOM 0 HG3 GLU A 75 23.352 9.309 -11.036 1.00 3.16 H new ATOM 1132 N ARG A 76 23.108 6.244 -14.998 1.00 2.07 N ATOM 1133 CA ARG A 76 23.073 4.772 -15.250 1.00 1.90 C ATOM 1134 C ARG A 76 24.099 4.408 -16.317 1.00 1.72 C ATOM 1135 O ARG A 76 24.910 3.520 -16.139 1.00 1.72 O ATOM 1136 CB ARG A 76 21.660 4.468 -15.741 1.00 1.88 C ATOM 1137 CG ARG A 76 20.895 3.746 -14.636 1.00 2.11 C ATOM 1138 CD ARG A 76 20.263 4.785 -13.710 1.00 2.33 C ATOM 1139 NE ARG A 76 20.783 4.463 -12.345 1.00 2.53 N ATOM 1140 CZ ARG A 76 21.630 5.260 -11.760 1.00 2.70 C ATOM 1141 NH1 ARG A 76 21.243 6.418 -11.329 1.00 3.03 N ATOM 1142 NH2 ARG A 76 22.860 4.898 -11.599 1.00 2.90 N ATOM 0 H ARG A 76 22.263 6.747 -15.270 1.00 2.07 H new ATOM 0 HA ARG A 76 23.313 4.198 -14.355 1.00 1.90 H new ATOM 0 HB2 ARG A 76 21.148 5.392 -16.011 1.00 1.88 H new ATOM 0 HB3 ARG A 76 21.698 3.850 -16.638 1.00 1.88 H new ATOM 0 HG2 ARG A 76 20.124 3.107 -15.067 1.00 2.11 H new ATOM 0 HG3 ARG A 76 21.568 3.099 -14.073 1.00 2.11 H new ATOM 0 HD2 ARG A 76 20.538 5.797 -14.008 1.00 2.33 H new ATOM 0 HD3 ARG A 76 19.175 4.729 -13.740 1.00 2.33 H new ATOM 0 HE ARG A 76 20.473 3.615 -11.870 1.00 2.53 H new ATOM 0 HH11 ARG A 76 20.272 6.708 -11.447 1.00 3.03 H new ATOM 0 HH12 ARG A 76 21.909 7.040 -10.871 1.00 3.03 H new ATOM 0 HH21 ARG A 76 23.170 3.985 -11.931 1.00 2.90 H new ATOM 0 HH22 ARG A 76 23.520 5.525 -11.140 1.00 2.90 H new ATOM 1156 N LYS A 77 24.073 5.107 -17.425 1.00 1.66 N ATOM 1157 CA LYS A 77 25.058 4.825 -18.517 1.00 1.69 C ATOM 1158 C LYS A 77 26.482 4.967 -17.975 1.00 1.90 C ATOM 1159 O LYS A 77 27.355 4.167 -18.269 1.00 1.96 O ATOM 1160 CB LYS A 77 24.772 5.863 -19.604 1.00 1.75 C ATOM 1161 CG LYS A 77 23.914 5.231 -20.697 1.00 1.76 C ATOM 1162 CD LYS A 77 24.776 4.873 -21.912 1.00 2.05 C ATOM 1163 CE LYS A 77 25.473 3.535 -21.677 1.00 2.28 C ATOM 1164 NZ LYS A 77 26.942 3.827 -21.727 1.00 2.94 N ATOM 0 H LYS A 77 23.413 5.860 -17.621 1.00 1.66 H new ATOM 0 HA LYS A 77 24.967 3.813 -18.911 1.00 1.69 H new ATOM 0 HB2 LYS A 77 24.258 6.723 -19.175 1.00 1.75 H new ATOM 0 HB3 LYS A 77 25.707 6.230 -20.027 1.00 1.75 H new ATOM 0 HG2 LYS A 77 23.426 4.335 -20.313 1.00 1.76 H new ATOM 0 HG3 LYS A 77 23.125 5.922 -20.994 1.00 1.76 H new ATOM 0 HD2 LYS A 77 24.155 4.818 -22.806 1.00 2.05 H new ATOM 0 HD3 LYS A 77 25.517 5.653 -22.086 1.00 2.05 H new ATOM 0 HE2 LYS A 77 25.191 3.111 -20.713 1.00 2.28 H new ATOM 0 HE3 LYS A 77 25.192 2.808 -22.439 1.00 2.28 H new ATOM 0 HZ1 LYS A 77 27.476 2.948 -21.573 1.00 2.94 H new ATOM 0 HZ2 LYS A 77 27.186 4.221 -22.658 1.00 2.94 H new ATOM 0 HZ3 LYS A 77 27.185 4.514 -20.985 1.00 2.94 H new ATOM 1178 N ALA A 78 26.704 5.970 -17.170 1.00 2.10 N ATOM 1179 CA ALA A 78 28.053 6.192 -16.570 1.00 2.41 C ATOM 1180 C ALA A 78 28.387 5.059 -15.596 1.00 2.38 C ATOM 1181 O ALA A 78 29.487 4.550 -15.595 1.00 2.52 O ATOM 1182 CB ALA A 78 27.951 7.530 -15.838 1.00 2.67 C ATOM 0 H ALA A 78 25.999 6.655 -16.898 1.00 2.10 H new ATOM 0 HA ALA A 78 28.844 6.206 -17.320 1.00 2.41 H new ATOM 0 HB1 ALA A 78 28.907 7.762 -15.370 1.00 2.67 H new ATOM 0 HB2 ALA A 78 27.695 8.315 -16.549 1.00 2.67 H new ATOM 0 HB3 ALA A 78 27.178 7.468 -15.072 1.00 2.67 H new ATOM 1188 N LYS A 79 27.448 4.659 -14.784 1.00 2.26 N ATOM 1189 CA LYS A 79 27.711 3.539 -13.814 1.00 2.27 C ATOM 1190 C LYS A 79 27.886 2.224 -14.573 1.00 2.03 C ATOM 1191 O LYS A 79 28.826 1.490 -14.350 1.00 2.11 O ATOM 1192 CB LYS A 79 26.471 3.466 -12.912 1.00 2.29 C ATOM 1193 CG LYS A 79 26.479 4.619 -11.906 1.00 2.65 C ATOM 1194 CD LYS A 79 27.833 4.683 -11.194 1.00 2.94 C ATOM 1195 CE LYS A 79 28.721 5.726 -11.874 1.00 3.12 C ATOM 1196 NZ LYS A 79 28.286 7.025 -11.291 1.00 3.36 N ATOM 0 H LYS A 79 26.508 5.054 -14.744 1.00 2.26 H new ATOM 0 HA LYS A 79 28.619 3.710 -13.235 1.00 2.27 H new ATOM 0 HB2 LYS A 79 25.567 3.511 -13.520 1.00 2.29 H new ATOM 0 HB3 LYS A 79 26.453 2.513 -12.383 1.00 2.29 H new ATOM 0 HG2 LYS A 79 26.283 5.561 -12.418 1.00 2.65 H new ATOM 0 HG3 LYS A 79 25.681 4.481 -11.176 1.00 2.65 H new ATOM 0 HD2 LYS A 79 27.691 4.940 -10.144 1.00 2.94 H new ATOM 0 HD3 LYS A 79 28.316 3.706 -11.221 1.00 2.94 H new ATOM 0 HE2 LYS A 79 29.776 5.537 -11.678 1.00 3.12 H new ATOM 0 HE3 LYS A 79 28.590 5.713 -12.956 1.00 3.12 H new ATOM 0 HZ1 LYS A 79 28.979 7.762 -11.530 1.00 3.36 H new ATOM 0 HZ2 LYS A 79 27.356 7.285 -11.678 1.00 3.36 H new ATOM 0 HZ3 LYS A 79 28.218 6.936 -10.257 1.00 3.36 H new ATOM 1210 N LEU A 80 26.987 1.928 -15.477 1.00 1.80 N ATOM 1211 CA LEU A 80 27.099 0.667 -16.266 1.00 1.72 C ATOM 1212 C LEU A 80 28.445 0.635 -16.992 1.00 1.96 C ATOM 1213 O LEU A 80 29.165 -0.343 -16.953 1.00 2.06 O ATOM 1214 CB LEU A 80 25.934 0.721 -17.259 1.00 1.63 C ATOM 1215 CG LEU A 80 25.869 -0.587 -18.051 1.00 1.73 C ATOM 1216 CD1 LEU A 80 24.775 -1.483 -17.471 1.00 1.87 C ATOM 1217 CD2 LEU A 80 25.556 -0.275 -19.517 1.00 1.99 C ATOM 0 H LEU A 80 26.179 2.508 -15.702 1.00 1.80 H new ATOM 0 HA LEU A 80 27.053 -0.229 -15.647 1.00 1.72 H new ATOM 0 HB2 LEU A 80 24.997 0.881 -16.726 1.00 1.63 H new ATOM 0 HB3 LEU A 80 26.062 1.563 -17.939 1.00 1.63 H new ATOM 0 HG LEU A 80 26.827 -1.102 -17.985 1.00 1.73 H new ATOM 0 HD11 LEU A 80 24.730 -2.414 -18.036 1.00 1.87 H new ATOM 0 HD12 LEU A 80 25.000 -1.702 -16.427 1.00 1.87 H new ATOM 0 HD13 LEU A 80 23.814 -0.972 -17.536 1.00 1.87 H new ATOM 0 HD21 LEU A 80 25.509 -1.204 -20.085 1.00 1.99 H new ATOM 0 HD22 LEU A 80 24.597 0.240 -19.583 1.00 1.99 H new ATOM 0 HD23 LEU A 80 26.339 0.362 -19.929 1.00 1.99 H new