USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 380 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -150:sc= -3.35! USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -126:sc= 0.878 (180deg=-0.374) USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= -0.0936 (180deg=-0.669) USER MOD Single : A 29 HIS : no HD1:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -122:sc= -0.738 (180deg=-3.08!) USER MOD Single : A 46 ASN : amide:sc= -0.895 K(o=-0.9,f=-3.3) USER MOD Single : A 47 ASN :FLIP amide:sc= -1.16 F(o=-2!,f=-1.2) USER MOD Single : A 48 THR OG1 : rot 20:sc= 0.526 USER MOD Single : A 53 LYS NZ :NH3+ -130:sc= 0.335 (180deg=-0.987) USER MOD Single : A 54 GLN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.157 USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.132 (180deg=-0.615) USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.272) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 6.096 8.007 3.575 1.00 0.00 N ATOM 184 CA SER A 12 6.492 6.753 4.292 1.00 0.00 C ATOM 185 C SER A 12 6.695 5.609 3.287 1.00 0.00 C ATOM 186 O SER A 12 6.377 5.742 2.123 1.00 0.00 O ATOM 187 CB SER A 12 5.360 6.372 5.275 1.00 0.00 C ATOM 188 OG SER A 12 6.030 5.691 6.324 1.00 0.00 O ATOM 0 HA SER A 12 7.426 6.919 4.829 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.837 7.255 5.643 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.615 5.735 4.798 1.00 0.00 H new ATOM 0 HG SER A 12 5.379 5.412 7.001 1.00 0.00 H new ATOM 194 N ALA A 13 7.216 4.506 3.760 1.00 0.00 N ATOM 195 CA ALA A 13 7.442 3.361 2.850 1.00 0.00 C ATOM 196 C ALA A 13 6.143 2.808 2.338 1.00 0.00 C ATOM 197 O ALA A 13 5.864 2.841 1.155 1.00 0.00 O ATOM 198 CB ALA A 13 8.148 2.240 3.633 1.00 0.00 C ATOM 0 H ALA A 13 7.491 4.356 4.731 1.00 0.00 H new ATOM 0 HA ALA A 13 8.042 3.708 2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.321 1.389 2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.103 2.606 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.521 1.930 4.469 1.00 0.00 H new ATOM 204 N PHE A 14 5.370 2.305 3.237 1.00 0.00 N ATOM 205 CA PHE A 14 4.077 1.732 2.840 1.00 0.00 C ATOM 206 C PHE A 14 3.141 2.806 2.257 1.00 0.00 C ATOM 207 O PHE A 14 2.024 2.513 1.885 1.00 0.00 O ATOM 208 CB PHE A 14 3.463 1.012 4.095 1.00 0.00 C ATOM 209 CG PHE A 14 1.987 1.366 4.340 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.619 2.664 4.592 1.00 0.00 C ATOM 211 CD2 PHE A 14 1.014 0.370 4.338 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.307 2.985 4.837 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.303 0.683 4.585 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.661 1.994 4.835 1.00 0.00 C ATOM 0 H PHE A 14 5.579 2.266 4.235 1.00 0.00 H new ATOM 0 HA PHE A 14 4.214 1.003 2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.554 -0.067 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.044 1.278 4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.369 3.441 4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.295 -0.654 4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.029 4.010 5.031 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.054 -0.093 4.583 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.693 2.246 5.028 1.00 0.00 H new ATOM 224 N PHE A 15 3.571 4.050 2.250 1.00 0.00 N ATOM 225 CA PHE A 15 2.673 5.092 1.679 1.00 0.00 C ATOM 226 C PHE A 15 2.857 5.056 0.193 1.00 0.00 C ATOM 227 O PHE A 15 1.923 5.179 -0.566 1.00 0.00 O ATOM 228 CB PHE A 15 3.040 6.485 2.207 1.00 0.00 C ATOM 229 CG PHE A 15 1.959 7.460 1.743 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.682 7.377 2.265 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.231 8.421 0.781 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.306 8.237 1.838 1.00 0.00 C ATOM 233 CE2 PHE A 15 1.238 9.282 0.357 1.00 0.00 C ATOM 234 CZ PHE A 15 -0.028 9.188 0.885 1.00 0.00 C ATOM 0 H PHE A 15 4.472 4.374 2.602 1.00 0.00 H new ATOM 0 HA PHE A 15 1.639 4.895 1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.105 6.476 3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.017 6.791 1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.457 6.632 3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.223 8.496 0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.301 8.164 2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.456 10.030 -0.391 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.804 9.861 0.551 1.00 0.00 H new ATOM 244 N LEU A 16 4.081 4.884 -0.203 1.00 0.00 N ATOM 245 CA LEU A 16 4.367 4.826 -1.634 1.00 0.00 C ATOM 246 C LEU A 16 3.675 3.617 -2.172 1.00 0.00 C ATOM 247 O LEU A 16 3.504 3.448 -3.362 1.00 0.00 O ATOM 248 CB LEU A 16 5.865 4.626 -1.810 1.00 0.00 C ATOM 249 CG LEU A 16 6.607 5.819 -1.226 1.00 0.00 C ATOM 250 CD1 LEU A 16 8.097 5.466 -1.137 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.399 7.062 -2.131 1.00 0.00 C ATOM 0 H LEU A 16 4.889 4.782 0.412 1.00 0.00 H new ATOM 0 HA LEU A 16 4.039 5.733 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.181 3.709 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.106 4.516 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 16 6.225 6.052 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.647 6.310 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.227 4.595 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.478 5.242 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.932 7.913 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.782 6.853 -3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.336 7.294 -2.192 1.00 0.00 H new ATOM 263 N PHE A 17 3.288 2.782 -1.246 1.00 0.00 N ATOM 264 CA PHE A 17 2.594 1.541 -1.594 1.00 0.00 C ATOM 265 C PHE A 17 1.106 1.804 -1.622 1.00 0.00 C ATOM 266 O PHE A 17 0.401 1.312 -2.469 1.00 0.00 O ATOM 267 CB PHE A 17 2.949 0.559 -0.497 1.00 0.00 C ATOM 268 CG PHE A 17 2.155 -0.708 -0.603 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.946 -0.824 0.055 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.674 -1.800 -1.259 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.277 -2.013 0.061 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.999 -2.989 -1.253 1.00 0.00 C ATOM 273 CZ PHE A 17 0.802 -3.094 -0.587 1.00 0.00 C ATOM 0 H PHE A 17 3.434 2.924 -0.246 1.00 0.00 H new ATOM 0 HA PHE A 17 2.880 1.154 -2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.013 0.326 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.770 1.020 0.475 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.528 0.030 0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.617 -1.718 -1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.667 -2.099 0.578 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.406 -3.845 -1.771 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.274 -4.036 -0.576 1.00 0.00 H new ATOM 283 N CYS A 18 0.637 2.570 -0.670 1.00 0.00 N ATOM 284 CA CYS A 18 -0.802 2.873 -0.645 1.00 0.00 C ATOM 285 C CYS A 18 -1.231 3.391 -2.016 1.00 0.00 C ATOM 286 O CYS A 18 -2.043 2.788 -2.681 1.00 0.00 O ATOM 287 CB CYS A 18 -1.059 3.976 0.424 1.00 0.00 C ATOM 288 SG CYS A 18 -0.638 5.687 0.005 1.00 0.00 S ATOM 0 H CYS A 18 1.191 2.989 0.077 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.370 1.975 -0.401 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.117 3.947 0.684 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.502 3.706 1.322 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.302 6.328 1.085 1.00 0.00 H new ATOM 294 N SER A 19 -0.627 4.481 -2.428 1.00 0.00 N ATOM 295 CA SER A 19 -0.965 5.073 -3.743 1.00 0.00 C ATOM 296 C SER A 19 -1.065 3.999 -4.803 1.00 0.00 C ATOM 297 O SER A 19 -1.928 4.034 -5.656 1.00 0.00 O ATOM 298 CB SER A 19 0.167 6.034 -4.136 1.00 0.00 C ATOM 299 OG SER A 19 -0.136 6.404 -5.475 1.00 0.00 O ATOM 0 H SER A 19 0.088 4.982 -1.900 1.00 0.00 H new ATOM 0 HA SER A 19 -1.922 5.589 -3.670 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.196 6.904 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.141 5.550 -4.068 1.00 0.00 H new ATOM 0 HG SER A 19 0.546 7.026 -5.805 1.00 0.00 H new ATOM 305 N GLU A 20 -0.172 3.061 -4.730 1.00 0.00 N ATOM 306 CA GLU A 20 -0.186 1.972 -5.717 1.00 0.00 C ATOM 307 C GLU A 20 -1.391 1.058 -5.494 1.00 0.00 C ATOM 308 O GLU A 20 -2.095 0.732 -6.424 1.00 0.00 O ATOM 309 CB GLU A 20 1.135 1.159 -5.569 1.00 0.00 C ATOM 310 CG GLU A 20 1.024 -0.180 -6.316 1.00 0.00 C ATOM 311 CD GLU A 20 0.546 0.070 -7.746 1.00 0.00 C ATOM 312 OE1 GLU A 20 0.929 1.100 -8.273 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.175 -0.787 -8.232 1.00 0.00 O ATOM 0 H GLU A 20 0.565 3.006 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.262 2.389 -6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.971 1.736 -5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.343 0.979 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.991 -0.683 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.328 -0.840 -5.799 1.00 0.00 H new ATOM 320 N TYR A 21 -1.600 0.650 -4.259 1.00 0.00 N ATOM 321 CA TYR A 21 -2.749 -0.243 -3.955 1.00 0.00 C ATOM 322 C TYR A 21 -3.971 0.511 -3.442 1.00 0.00 C ATOM 323 O TYR A 21 -4.808 -0.063 -2.790 1.00 0.00 O ATOM 324 CB TYR A 21 -2.293 -1.227 -2.872 1.00 0.00 C ATOM 325 CG TYR A 21 -1.408 -2.296 -3.491 1.00 0.00 C ATOM 326 CD1 TYR A 21 -0.053 -2.092 -3.599 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.945 -3.487 -3.929 1.00 0.00 C ATOM 328 CE1 TYR A 21 0.761 -3.064 -4.136 1.00 0.00 C ATOM 329 CE2 TYR A 21 -1.133 -4.463 -4.468 1.00 0.00 C ATOM 330 CZ TYR A 21 0.228 -4.259 -4.575 1.00 0.00 C ATOM 331 OH TYR A 21 1.040 -5.236 -5.107 1.00 0.00 O ATOM 0 H TYR A 21 -1.021 0.901 -3.457 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.045 -0.742 -4.878 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.747 -0.697 -2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.159 -1.688 -2.398 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.377 -1.161 -3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.009 -3.657 -3.850 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.824 -2.890 -4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.565 -5.393 -4.808 1.00 0.00 H new ATOM 0 HH TYR A 21 0.496 -6.010 -5.363 1.00 0.00 H new ATOM 341 N ARG A 22 -4.053 1.778 -3.720 1.00 0.00 N ATOM 342 CA ARG A 22 -5.249 2.549 -3.234 1.00 0.00 C ATOM 343 C ARG A 22 -6.405 2.445 -4.252 1.00 0.00 C ATOM 344 O ARG A 22 -7.551 2.324 -3.870 1.00 0.00 O ATOM 345 CB ARG A 22 -4.894 4.069 -3.001 1.00 0.00 C ATOM 346 CG ARG A 22 -5.695 4.606 -1.788 1.00 0.00 C ATOM 347 CD ARG A 22 -5.297 6.067 -1.533 1.00 0.00 C ATOM 348 NE ARG A 22 -5.764 6.484 -0.174 1.00 0.00 N ATOM 349 CZ ARG A 22 -5.577 7.723 0.215 1.00 0.00 C ATOM 350 NH1 ARG A 22 -4.994 8.556 -0.600 1.00 0.00 N ATOM 351 NH2 ARG A 22 -5.964 8.078 1.412 1.00 0.00 N ATOM 0 H ARG A 22 -3.365 2.313 -4.250 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.558 2.113 -2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.825 4.181 -2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.131 4.650 -3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.765 4.536 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.491 4.001 -0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.215 6.178 -1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.736 6.712 -2.294 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.222 5.813 0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.692 8.241 -1.522 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.840 9.523 -0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.404 7.395 2.029 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.826 9.038 1.729 1.00 0.00 H new ATOM 365 N PRO A 23 -6.079 2.499 -5.553 1.00 0.00 N ATOM 366 CA PRO A 23 -7.095 2.409 -6.589 1.00 0.00 C ATOM 367 C PRO A 23 -7.384 0.940 -6.944 1.00 0.00 C ATOM 368 O PRO A 23 -8.467 0.606 -7.380 1.00 0.00 O ATOM 369 CB PRO A 23 -6.450 3.131 -7.811 1.00 0.00 C ATOM 370 CG PRO A 23 -4.910 3.223 -7.513 1.00 0.00 C ATOM 371 CD PRO A 23 -4.707 2.706 -6.065 1.00 0.00 C ATOM 0 HA PRO A 23 -8.043 2.849 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.635 2.576 -8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.879 4.124 -7.946 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.342 2.622 -8.222 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.557 4.250 -7.611 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.133 1.779 -6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.161 3.428 -5.458 1.00 0.00 H new ATOM 379 N LYS A 24 -6.401 0.094 -6.745 1.00 0.00 N ATOM 380 CA LYS A 24 -6.595 -1.332 -7.061 1.00 0.00 C ATOM 381 C LYS A 24 -7.745 -1.893 -6.265 1.00 0.00 C ATOM 382 O LYS A 24 -8.701 -2.400 -6.818 1.00 0.00 O ATOM 383 CB LYS A 24 -5.316 -2.086 -6.677 1.00 0.00 C ATOM 384 CG LYS A 24 -4.103 -1.423 -7.341 1.00 0.00 C ATOM 385 CD LYS A 24 -4.238 -1.503 -8.873 1.00 0.00 C ATOM 386 CE LYS A 24 -2.868 -1.262 -9.520 1.00 0.00 C ATOM 387 NZ LYS A 24 -2.021 -2.482 -9.422 1.00 0.00 N ATOM 0 H LYS A 24 -5.481 0.340 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.812 -1.443 -8.123 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.194 -2.086 -5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.389 -3.128 -6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.029 -0.382 -7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.186 -1.918 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.623 -2.480 -9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.954 -0.760 -9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.997 -0.986 -10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.370 -0.426 -9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.113 -2.239 -8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.508 -3.198 -8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.849 -2.863 -10.374 1.00 0.00 H new ATOM 401 N ILE A 25 -7.636 -1.799 -4.977 1.00 0.00 N ATOM 402 CA ILE A 25 -8.713 -2.321 -4.125 1.00 0.00 C ATOM 403 C ILE A 25 -9.951 -1.430 -4.258 1.00 0.00 C ATOM 404 O ILE A 25 -10.975 -1.865 -4.745 1.00 0.00 O ATOM 405 CB ILE A 25 -8.223 -2.338 -2.634 1.00 0.00 C ATOM 406 CG1 ILE A 25 -6.958 -1.489 -2.475 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.873 -3.786 -2.236 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.594 -1.328 -0.974 1.00 0.00 C ATOM 0 H ILE A 25 -6.847 -1.383 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.972 -3.334 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.017 -1.937 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.130 -1.957 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.113 -0.508 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.532 -3.806 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.757 -4.415 -2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.083 -4.161 -2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.693 -0.722 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.416 -0.839 -0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.418 -2.310 -0.535 1.00 0.00 H new ATOM 420 N LYS A 26 -9.822 -0.184 -3.848 1.00 0.00 N ATOM 421 CA LYS A 26 -10.978 0.741 -3.943 1.00 0.00 C ATOM 422 C LYS A 26 -11.624 0.603 -5.308 1.00 0.00 C ATOM 423 O LYS A 26 -12.791 0.892 -5.489 1.00 0.00 O ATOM 424 CB LYS A 26 -10.462 2.187 -3.756 1.00 0.00 C ATOM 425 CG LYS A 26 -11.657 3.163 -3.632 1.00 0.00 C ATOM 426 CD LYS A 26 -12.179 3.176 -2.185 1.00 0.00 C ATOM 427 CE LYS A 26 -13.248 4.267 -2.053 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.650 5.612 -2.284 1.00 0.00 N ATOM 0 H LYS A 26 -8.970 0.219 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.715 0.504 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.839 2.247 -2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.836 2.471 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.349 4.167 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.454 2.863 -4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.599 2.204 -1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.360 3.364 -1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.048 4.090 -2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.696 4.227 -1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.231 6.336 -1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.686 5.635 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.615 5.806 -3.305 1.00 0.00 H new ATOM 442 N GLY A 27 -10.845 0.145 -6.244 1.00 0.00 N ATOM 443 CA GLY A 27 -11.378 -0.028 -7.603 1.00 0.00 C ATOM 444 C GLY A 27 -12.402 -1.146 -7.571 1.00 0.00 C ATOM 445 O GLY A 27 -13.566 -0.944 -7.851 1.00 0.00 O ATOM 0 H GLY A 27 -9.866 -0.114 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.836 0.897 -7.952 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.574 -0.268 -8.299 1.00 0.00 H new ATOM 449 N GLU A 28 -11.940 -2.315 -7.225 1.00 0.00 N ATOM 450 CA GLU A 28 -12.841 -3.458 -7.158 1.00 0.00 C ATOM 451 C GLU A 28 -13.692 -3.363 -5.897 1.00 0.00 C ATOM 452 O GLU A 28 -14.544 -4.191 -5.648 1.00 0.00 O ATOM 453 CB GLU A 28 -11.987 -4.725 -7.100 1.00 0.00 C ATOM 454 CG GLU A 28 -11.202 -4.868 -8.405 1.00 0.00 C ATOM 455 CD GLU A 28 -10.125 -5.946 -8.234 1.00 0.00 C ATOM 456 OE1 GLU A 28 -10.091 -6.516 -7.155 1.00 0.00 O ATOM 457 OE2 GLU A 28 -9.396 -6.139 -9.194 1.00 0.00 O ATOM 0 H GLU A 28 -10.968 -2.512 -6.987 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.498 -3.477 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.302 -4.677 -6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.621 -5.598 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.875 -5.136 -9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.741 -3.917 -8.672 1.00 0.00 H new ATOM 464 N HIS A 29 -13.427 -2.332 -5.115 1.00 0.00 N ATOM 465 CA HIS A 29 -14.189 -2.115 -3.848 1.00 0.00 C ATOM 466 C HIS A 29 -14.571 -0.631 -3.715 1.00 0.00 C ATOM 467 O HIS A 29 -14.078 0.058 -2.846 1.00 0.00 O ATOM 468 CB HIS A 29 -13.266 -2.473 -2.671 1.00 0.00 C ATOM 469 CG HIS A 29 -13.164 -3.993 -2.540 1.00 0.00 C ATOM 470 ND1 HIS A 29 -13.826 -4.681 -1.739 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.364 -4.886 -3.220 1.00 0.00 C ATOM 472 CE1 HIS A 29 -13.539 -5.909 -1.832 1.00 0.00 C ATOM 473 NE2 HIS A 29 -12.608 -6.144 -2.759 1.00 0.00 N ATOM 0 H HIS A 29 -12.710 -1.632 -5.308 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.090 -2.729 -3.852 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.276 -2.045 -2.829 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -13.655 -2.044 -1.748 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.657 -4.629 -3.995 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.996 -6.680 -1.230 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.191 -7.029 -3.046 1.00 0.00 H new ATOM 481 N PRO A 30 -15.455 -0.161 -4.589 1.00 0.00 N ATOM 482 CA PRO A 30 -15.887 1.236 -4.555 1.00 0.00 C ATOM 483 C PRO A 30 -16.677 1.544 -3.277 1.00 0.00 C ATOM 484 O PRO A 30 -17.892 1.526 -3.272 1.00 0.00 O ATOM 485 CB PRO A 30 -16.792 1.405 -5.823 1.00 0.00 C ATOM 486 CG PRO A 30 -16.984 -0.020 -6.442 1.00 0.00 C ATOM 487 CD PRO A 30 -16.072 -0.988 -5.644 1.00 0.00 C ATOM 0 HA PRO A 30 -15.040 1.922 -4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.754 1.842 -5.555 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.326 2.078 -6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.027 -0.331 -6.377 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.716 -0.021 -7.499 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.649 -1.807 -5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.314 -1.435 -6.287 1.00 0.00 H new ATOM 495 N GLY A 31 -15.969 1.808 -2.208 1.00 0.00 N ATOM 496 CA GLY A 31 -16.678 2.121 -0.929 1.00 0.00 C ATOM 497 C GLY A 31 -15.815 1.800 0.299 1.00 0.00 C ATOM 498 O GLY A 31 -16.340 1.615 1.379 1.00 0.00 O ATOM 0 H GLY A 31 -14.950 1.821 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.951 3.176 -0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.606 1.551 -0.880 1.00 0.00 H new ATOM 502 N LEU A 32 -14.514 1.737 0.133 1.00 0.00 N ATOM 503 CA LEU A 32 -13.673 1.428 1.319 1.00 0.00 C ATOM 504 C LEU A 32 -13.619 2.615 2.253 1.00 0.00 C ATOM 505 O LEU A 32 -13.660 3.754 1.834 1.00 0.00 O ATOM 506 CB LEU A 32 -12.191 1.148 0.904 1.00 0.00 C ATOM 507 CG LEU A 32 -11.988 -0.205 0.161 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.499 -0.614 0.304 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.841 -1.312 0.777 1.00 0.00 C ATOM 0 H LEU A 32 -14.016 1.882 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.120 0.556 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.844 1.959 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.566 1.158 1.797 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.279 -0.077 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.331 -1.561 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.866 0.156 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.252 -0.725 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.676 -2.243 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.563 -1.446 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.894 -1.038 0.714 1.00 0.00 H new ATOM 521 N SER A 33 -13.528 2.316 3.513 1.00 0.00 N ATOM 522 CA SER A 33 -13.458 3.377 4.523 1.00 0.00 C ATOM 523 C SER A 33 -11.993 3.650 4.790 1.00 0.00 C ATOM 524 O SER A 33 -11.185 2.746 4.694 1.00 0.00 O ATOM 525 CB SER A 33 -14.125 2.871 5.813 1.00 0.00 C ATOM 526 OG SER A 33 -15.516 3.025 5.570 1.00 0.00 O ATOM 0 H SER A 33 -13.499 1.366 3.883 1.00 0.00 H new ATOM 0 HA SER A 33 -13.962 4.282 4.184 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.868 1.831 6.012 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.806 3.450 6.680 1.00 0.00 H new ATOM 0 HG SER A 33 -16.021 2.720 6.353 1.00 0.00 H new ATOM 532 N ILE A 34 -11.648 4.869 5.105 1.00 0.00 N ATOM 533 CA ILE A 34 -10.208 5.154 5.372 1.00 0.00 C ATOM 534 C ILE A 34 -9.613 4.074 6.251 1.00 0.00 C ATOM 535 O ILE A 34 -8.433 3.794 6.190 1.00 0.00 O ATOM 536 CB ILE A 34 -10.097 6.501 6.093 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.620 7.648 5.187 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.609 6.748 6.470 1.00 0.00 C ATOM 539 CD1 ILE A 34 -9.554 8.097 4.157 1.00 0.00 C ATOM 0 H ILE A 34 -12.283 5.663 5.188 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.666 5.181 4.427 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.707 6.481 6.996 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.516 7.317 4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.908 8.498 5.806 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.518 7.705 6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.262 5.949 7.126 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.002 6.763 5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.958 8.901 3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.668 8.453 4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.285 7.254 3.521 1.00 0.00 H new ATOM 551 N GLY A 35 -10.441 3.489 7.054 1.00 0.00 N ATOM 552 CA GLY A 35 -9.945 2.423 7.940 1.00 0.00 C ATOM 553 C GLY A 35 -9.659 1.174 7.108 1.00 0.00 C ATOM 554 O GLY A 35 -8.583 0.628 7.156 1.00 0.00 O ATOM 0 H GLY A 35 -11.435 3.703 7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.039 2.750 8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.683 2.201 8.711 1.00 0.00 H new ATOM 558 N ASP A 36 -10.632 0.771 6.332 1.00 0.00 N ATOM 559 CA ASP A 36 -10.449 -0.430 5.490 1.00 0.00 C ATOM 560 C ASP A 36 -9.303 -0.260 4.526 1.00 0.00 C ATOM 561 O ASP A 36 -8.507 -1.157 4.333 1.00 0.00 O ATOM 562 CB ASP A 36 -11.745 -0.645 4.684 1.00 0.00 C ATOM 563 CG ASP A 36 -11.891 -2.129 4.320 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.954 -2.634 3.727 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.932 -2.669 4.659 1.00 0.00 O ATOM 0 H ASP A 36 -11.541 1.226 6.251 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.228 -1.282 6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.606 -0.318 5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.725 -0.039 3.778 1.00 0.00 H new ATOM 570 N VAL A 37 -9.233 0.884 3.933 1.00 0.00 N ATOM 571 CA VAL A 37 -8.146 1.120 2.981 1.00 0.00 C ATOM 572 C VAL A 37 -6.821 0.870 3.656 1.00 0.00 C ATOM 573 O VAL A 37 -6.103 -0.043 3.323 1.00 0.00 O ATOM 574 CB VAL A 37 -8.190 2.605 2.532 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.974 2.887 1.646 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.479 2.877 1.748 1.00 0.00 C ATOM 0 H VAL A 37 -9.880 1.660 4.068 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.260 0.454 2.126 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.170 3.255 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.993 3.928 1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.061 2.698 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.001 2.236 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.502 3.921 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.512 2.235 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.341 2.668 2.382 1.00 0.00 H new ATOM 586 N ALA A 38 -6.548 1.675 4.612 1.00 0.00 N ATOM 587 CA ALA A 38 -5.289 1.545 5.349 1.00 0.00 C ATOM 588 C ALA A 38 -5.124 0.162 5.991 1.00 0.00 C ATOM 589 O ALA A 38 -4.024 -0.349 6.059 1.00 0.00 O ATOM 590 CB ALA A 38 -5.286 2.624 6.418 1.00 0.00 C ATOM 0 H ALA A 38 -7.154 2.434 4.923 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.453 1.659 4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.362 2.564 6.993 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.356 3.604 5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.138 2.480 7.083 1.00 0.00 H new ATOM 596 N LYS A 39 -6.202 -0.433 6.450 1.00 0.00 N ATOM 597 CA LYS A 39 -6.054 -1.771 7.072 1.00 0.00 C ATOM 598 C LYS A 39 -5.637 -2.779 6.016 1.00 0.00 C ATOM 599 O LYS A 39 -4.669 -3.494 6.175 1.00 0.00 O ATOM 600 CB LYS A 39 -7.422 -2.209 7.703 1.00 0.00 C ATOM 601 CG LYS A 39 -7.423 -1.910 9.220 1.00 0.00 C ATOM 602 CD LYS A 39 -7.481 -0.387 9.449 1.00 0.00 C ATOM 603 CE LYS A 39 -6.941 -0.053 10.843 1.00 0.00 C ATOM 604 NZ LYS A 39 -7.142 1.393 11.143 1.00 0.00 N ATOM 0 H LYS A 39 -7.149 -0.056 6.419 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.293 -1.726 7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.242 -1.679 7.219 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.586 -3.273 7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.278 -2.392 9.695 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.527 -2.323 9.683 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.894 0.127 8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.508 -0.034 9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.448 -0.661 11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.881 -0.299 10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.771 1.606 12.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.638 1.967 10.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.157 1.617 11.110 1.00 0.00 H new ATOM 618 N LYS A 40 -6.378 -2.810 4.958 1.00 0.00 N ATOM 619 CA LYS A 40 -6.060 -3.750 3.877 1.00 0.00 C ATOM 620 C LYS A 40 -4.642 -3.503 3.370 1.00 0.00 C ATOM 621 O LYS A 40 -3.899 -4.427 3.123 1.00 0.00 O ATOM 622 CB LYS A 40 -7.071 -3.532 2.731 1.00 0.00 C ATOM 623 CG LYS A 40 -7.176 -4.821 1.881 1.00 0.00 C ATOM 624 CD LYS A 40 -8.204 -5.777 2.497 1.00 0.00 C ATOM 625 CE LYS A 40 -8.060 -7.153 1.844 1.00 0.00 C ATOM 626 NZ LYS A 40 -9.204 -8.029 2.219 1.00 0.00 N ATOM 0 H LYS A 40 -7.194 -2.220 4.798 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.123 -4.774 4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.048 -3.272 3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.754 -2.697 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.467 -4.570 0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.203 -5.309 1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.049 -5.853 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.213 -5.393 2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.017 -7.045 0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.123 -7.614 2.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.091 -8.959 1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.228 -8.146 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.093 -7.595 1.899 1.00 0.00 H new ATOM 640 N LEU A 41 -4.298 -2.261 3.206 1.00 0.00 N ATOM 641 CA LEU A 41 -2.938 -1.958 2.722 1.00 0.00 C ATOM 642 C LEU A 41 -1.940 -2.425 3.726 1.00 0.00 C ATOM 643 O LEU A 41 -0.930 -3.013 3.389 1.00 0.00 O ATOM 644 CB LEU A 41 -2.782 -0.440 2.565 1.00 0.00 C ATOM 645 CG LEU A 41 -3.667 0.058 1.426 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.671 1.571 1.473 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.093 -0.405 0.073 1.00 0.00 C ATOM 0 H LEU A 41 -4.895 -1.454 3.385 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.778 -2.458 1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.054 0.060 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.740 -0.192 2.363 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.677 -0.338 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.297 1.958 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.066 1.904 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.653 1.941 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.730 -0.046 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.087 -0.003 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.055 -1.494 0.048 1.00 0.00 H new ATOM 659 N GLY A 42 -2.232 -2.153 4.951 1.00 0.00 N ATOM 660 CA GLY A 42 -1.318 -2.570 6.011 1.00 0.00 C ATOM 661 C GLY A 42 -1.150 -4.096 5.967 1.00 0.00 C ATOM 662 O GLY A 42 -0.105 -4.622 6.294 1.00 0.00 O ATOM 0 H GLY A 42 -3.068 -1.658 5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.351 -2.083 5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.706 -2.263 6.982 1.00 0.00 H new ATOM 666 N GLU A 43 -2.204 -4.773 5.552 1.00 0.00 N ATOM 667 CA GLU A 43 -2.148 -6.247 5.472 1.00 0.00 C ATOM 668 C GLU A 43 -1.304 -6.682 4.276 1.00 0.00 C ATOM 669 O GLU A 43 -0.321 -7.380 4.428 1.00 0.00 O ATOM 670 CB GLU A 43 -3.599 -6.771 5.286 1.00 0.00 C ATOM 671 CG GLU A 43 -4.265 -6.942 6.656 1.00 0.00 C ATOM 672 CD GLU A 43 -5.709 -7.417 6.466 1.00 0.00 C ATOM 673 OE1 GLU A 43 -6.245 -7.117 5.411 1.00 0.00 O ATOM 674 OE2 GLU A 43 -6.194 -8.055 7.386 1.00 0.00 O ATOM 0 H GLU A 43 -3.091 -4.355 5.270 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.700 -6.649 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.173 -6.073 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.587 -7.723 4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.709 -7.664 7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.250 -5.998 7.200 1.00 0.00 H new ATOM 681 N MET A 44 -1.710 -6.263 3.107 1.00 0.00 N ATOM 682 CA MET A 44 -0.943 -6.642 1.901 1.00 0.00 C ATOM 683 C MET A 44 0.510 -6.249 2.066 1.00 0.00 C ATOM 684 O MET A 44 1.404 -7.018 1.773 1.00 0.00 O ATOM 685 CB MET A 44 -1.544 -5.910 0.682 1.00 0.00 C ATOM 686 CG MET A 44 -2.853 -6.600 0.292 1.00 0.00 C ATOM 687 SD MET A 44 -3.796 -5.888 -1.077 1.00 0.00 S ATOM 688 CE MET A 44 -4.384 -4.393 -0.232 1.00 0.00 C ATOM 0 H MET A 44 -2.531 -5.681 2.943 1.00 0.00 H new ATOM 0 HA MET A 44 -0.999 -7.721 1.754 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.726 -4.862 0.922 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.844 -5.929 -0.153 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.625 -7.636 0.041 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.498 -6.619 1.171 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.474 -4.370 -0.249 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.037 -4.399 0.801 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.995 -3.511 -0.740 1.00 0.00 H new ATOM 698 N TRP A 45 0.720 -5.059 2.531 1.00 0.00 N ATOM 699 CA TRP A 45 2.106 -4.592 2.729 1.00 0.00 C ATOM 700 C TRP A 45 2.820 -5.543 3.648 1.00 0.00 C ATOM 701 O TRP A 45 3.822 -6.129 3.299 1.00 0.00 O ATOM 702 CB TRP A 45 2.034 -3.220 3.398 1.00 0.00 C ATOM 703 CG TRP A 45 3.423 -2.742 3.815 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.813 -2.635 5.071 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.332 -2.272 3.001 1.00 0.00 C ATOM 706 NE1 TRP A 45 5.014 -2.063 4.988 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.422 -1.792 3.702 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.300 -2.162 1.631 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.464 -1.203 3.036 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.351 -1.572 0.963 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.427 -1.090 1.669 1.00 0.00 C ATOM 0 H TRP A 45 -0.008 -4.390 2.782 1.00 0.00 H new ATOM 0 HA TRP A 45 2.637 -4.539 1.779 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.588 -2.500 2.712 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.385 -3.271 4.272 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.282 -2.940 5.960 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.582 -1.845 5.807 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.452 -2.538 1.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.314 -0.828 3.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.329 -1.489 -0.114 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.247 -0.620 1.146 1.00 0.00 H new ATOM 722 N ASN A 46 2.290 -5.671 4.814 1.00 0.00 N ATOM 723 CA ASN A 46 2.905 -6.582 5.796 1.00 0.00 C ATOM 724 C ASN A 46 3.148 -7.950 5.162 1.00 0.00 C ATOM 725 O ASN A 46 4.148 -8.592 5.413 1.00 0.00 O ATOM 726 CB ASN A 46 1.925 -6.747 6.972 1.00 0.00 C ATOM 727 CG ASN A 46 2.036 -5.533 7.897 1.00 0.00 C ATOM 728 OD1 ASN A 46 2.366 -4.446 7.473 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.767 -5.676 9.164 1.00 0.00 N ATOM 0 H ASN A 46 1.453 -5.183 5.134 1.00 0.00 H new ATOM 0 HA ASN A 46 3.857 -6.173 6.134 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.905 -6.843 6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.150 -7.660 7.523 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.835 -4.876 9.793 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.489 -6.588 9.527 1.00 0.00 H new ATOM 736 N ASN A 47 2.212 -8.367 4.348 1.00 0.00 N ATOM 737 CA ASN A 47 2.345 -9.681 3.680 1.00 0.00 C ATOM 738 C ASN A 47 3.255 -9.595 2.457 1.00 0.00 C ATOM 739 O ASN A 47 3.767 -10.594 1.994 1.00 0.00 O ATOM 740 CB ASN A 47 0.951 -10.128 3.218 1.00 0.00 C ATOM 741 CG ASN A 47 0.037 -10.264 4.434 1.00 0.00 C ATOM 742 OD1 ASN A 47 -1.168 -9.771 4.376 1.00 0.00 O flip ATOM 743 ND2 ASN A 47 0.411 -10.822 5.446 1.00 0.00 N flip ATOM 0 H ASN A 47 1.363 -7.848 4.122 1.00 0.00 H new ATOM 0 HA ASN A 47 2.781 -10.389 4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.538 -9.403 2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.018 -11.079 2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.353 -11.210 5.496 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.217 -10.903 6.246 1.00 0.00 H new ATOM 750 N THR A 48 3.443 -8.404 1.956 1.00 0.00 N ATOM 751 CA THR A 48 4.316 -8.251 0.765 1.00 0.00 C ATOM 752 C THR A 48 5.723 -8.746 1.064 1.00 0.00 C ATOM 753 O THR A 48 6.344 -8.330 2.022 1.00 0.00 O ATOM 754 CB THR A 48 4.375 -6.758 0.387 1.00 0.00 C ATOM 755 OG1 THR A 48 3.035 -6.384 0.143 1.00 0.00 O ATOM 756 CG2 THR A 48 5.091 -6.540 -0.969 1.00 0.00 C ATOM 0 H THR A 48 3.034 -7.542 2.317 1.00 0.00 H new ATOM 0 HA THR A 48 3.907 -8.840 -0.056 1.00 0.00 H new ATOM 0 HB THR A 48 4.889 -6.206 1.174 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.433 -7.027 0.573 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.113 -5.475 -1.202 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.111 -6.919 -0.907 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.553 -7.072 -1.754 1.00 0.00 H new ATOM 764 N ALA A 49 6.201 -9.632 0.236 1.00 0.00 N ATOM 765 CA ALA A 49 7.564 -10.173 0.447 1.00 0.00 C ATOM 766 C ALA A 49 8.565 -9.057 0.716 1.00 0.00 C ATOM 767 O ALA A 49 8.442 -7.967 0.192 1.00 0.00 O ATOM 768 CB ALA A 49 7.985 -10.916 -0.826 1.00 0.00 C ATOM 0 H ALA A 49 5.705 -10.002 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 49 7.551 -10.838 1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.987 -11.324 -0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.285 -11.729 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.982 -10.225 -1.669 1.00 0.00 H new ATOM 774 N ALA A 50 9.543 -9.348 1.531 1.00 0.00 N ATOM 775 CA ALA A 50 10.555 -8.320 1.841 1.00 0.00 C ATOM 776 C ALA A 50 11.206 -7.803 0.557 1.00 0.00 C ATOM 777 O ALA A 50 11.243 -6.615 0.313 1.00 0.00 O ATOM 778 CB ALA A 50 11.641 -8.959 2.742 1.00 0.00 C ATOM 0 H ALA A 50 9.678 -10.249 1.989 1.00 0.00 H new ATOM 0 HA ALA A 50 10.076 -7.483 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.399 -8.214 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.183 -9.321 3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.106 -9.793 2.216 1.00 0.00 H new ATOM 784 N ASP A 51 11.706 -8.710 -0.238 1.00 0.00 N ATOM 785 CA ASP A 51 12.352 -8.294 -1.501 1.00 0.00 C ATOM 786 C ASP A 51 11.409 -7.438 -2.334 1.00 0.00 C ATOM 787 O ASP A 51 11.839 -6.601 -3.101 1.00 0.00 O ATOM 788 CB ASP A 51 12.707 -9.555 -2.304 1.00 0.00 C ATOM 789 CG ASP A 51 13.614 -9.169 -3.475 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.751 -8.828 -3.190 1.00 0.00 O ATOM 791 OD2 ASP A 51 13.120 -9.236 -4.589 1.00 0.00 O ATOM 0 H ASP A 51 11.692 -9.715 -0.063 1.00 0.00 H new ATOM 0 HA ASP A 51 13.243 -7.711 -1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.210 -10.279 -1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.800 -10.032 -2.674 1.00 0.00 H new ATOM 796 N ASP A 52 10.133 -7.663 -2.170 1.00 0.00 N ATOM 797 CA ASP A 52 9.145 -6.870 -2.947 1.00 0.00 C ATOM 798 C ASP A 52 8.951 -5.484 -2.338 1.00 0.00 C ATOM 799 O ASP A 52 8.414 -4.598 -2.971 1.00 0.00 O ATOM 800 CB ASP A 52 7.807 -7.614 -2.927 1.00 0.00 C ATOM 801 CG ASP A 52 6.792 -6.849 -3.777 1.00 0.00 C ATOM 802 OD1 ASP A 52 6.276 -5.873 -3.259 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.591 -7.283 -4.899 1.00 0.00 O ATOM 0 H ASP A 52 9.737 -8.357 -1.536 1.00 0.00 H new ATOM 0 HA ASP A 52 9.512 -6.749 -3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.934 -8.625 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.445 -7.707 -1.903 1.00 0.00 H new ATOM 808 N LYS A 53 9.385 -5.322 -1.111 1.00 0.00 N ATOM 809 CA LYS A 53 9.236 -3.998 -0.441 1.00 0.00 C ATOM 810 C LYS A 53 10.420 -3.091 -0.777 1.00 0.00 C ATOM 811 O LYS A 53 10.353 -1.887 -0.626 1.00 0.00 O ATOM 812 CB LYS A 53 9.213 -4.225 1.083 1.00 0.00 C ATOM 813 CG LYS A 53 7.863 -4.825 1.492 1.00 0.00 C ATOM 814 CD LYS A 53 7.726 -4.751 3.014 1.00 0.00 C ATOM 815 CE LYS A 53 6.329 -5.224 3.419 1.00 0.00 C ATOM 816 NZ LYS A 53 6.176 -5.179 4.900 1.00 0.00 N ATOM 0 H LYS A 53 9.833 -6.046 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 53 8.316 -3.525 -0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.023 -4.894 1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.376 -3.282 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.049 -4.281 1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.794 -5.860 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.485 -5.372 3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.890 -3.729 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.574 -4.593 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.164 -6.240 3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.803 -6.089 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.101 -4.999 5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.516 -4.417 5.158 1.00 0.00 H new ATOM 830 N GLN A 54 11.483 -3.695 -1.224 1.00 0.00 N ATOM 831 CA GLN A 54 12.689 -2.917 -1.580 1.00 0.00 C ATOM 832 C GLN A 54 12.388 -1.761 -2.578 1.00 0.00 C ATOM 833 O GLN A 54 12.743 -0.650 -2.334 1.00 0.00 O ATOM 834 CB GLN A 54 13.722 -3.906 -2.209 1.00 0.00 C ATOM 835 CG GLN A 54 14.890 -4.152 -1.228 1.00 0.00 C ATOM 836 CD GLN A 54 16.009 -4.907 -1.947 1.00 0.00 C ATOM 837 OE1 GLN A 54 17.159 -4.520 -1.904 1.00 0.00 O ATOM 838 NE2 GLN A 54 15.719 -5.990 -2.614 1.00 0.00 N ATOM 0 H GLN A 54 11.564 -4.703 -1.358 1.00 0.00 H new ATOM 0 HA GLN A 54 13.080 -2.449 -0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.233 -4.850 -2.448 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.103 -3.498 -3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.265 -3.202 -0.846 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.543 -4.726 -0.369 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.755 -6.321 -2.655 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.456 -6.506 -3.095 1.00 0.00 H new ATOM 847 N PRO A 55 11.751 -2.046 -3.693 1.00 0.00 N ATOM 848 CA PRO A 55 11.455 -0.987 -4.647 1.00 0.00 C ATOM 849 C PRO A 55 10.855 0.237 -3.964 1.00 0.00 C ATOM 850 O PRO A 55 11.202 1.357 -4.269 1.00 0.00 O ATOM 851 CB PRO A 55 10.429 -1.620 -5.627 1.00 0.00 C ATOM 852 CG PRO A 55 10.452 -3.162 -5.372 1.00 0.00 C ATOM 853 CD PRO A 55 11.272 -3.389 -4.074 1.00 0.00 C ATOM 0 HA PRO A 55 12.357 -0.635 -5.148 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.431 -1.215 -5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.692 -1.395 -6.661 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.440 -3.551 -5.263 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.906 -3.686 -6.213 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.656 -3.827 -3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.104 -4.072 -4.246 1.00 0.00 H new ATOM 861 N TYR A 56 9.982 -0.013 -3.053 1.00 0.00 N ATOM 862 CA TYR A 56 9.330 1.107 -2.323 1.00 0.00 C ATOM 863 C TYR A 56 10.287 1.834 -1.386 1.00 0.00 C ATOM 864 O TYR A 56 10.338 3.049 -1.375 1.00 0.00 O ATOM 865 CB TYR A 56 8.184 0.527 -1.501 1.00 0.00 C ATOM 866 CG TYR A 56 7.078 0.101 -2.450 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.279 1.045 -3.035 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.857 -1.225 -2.718 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.256 0.672 -3.880 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.840 -1.609 -3.564 1.00 0.00 C ATOM 871 CZ TYR A 56 5.029 -0.662 -4.153 1.00 0.00 C ATOM 872 OH TYR A 56 4.003 -1.041 -4.995 1.00 0.00 O ATOM 0 H TYR A 56 9.683 -0.947 -2.773 1.00 0.00 H new ATOM 0 HA TYR A 56 8.981 1.833 -3.057 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.531 -0.325 -0.916 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.812 1.268 -0.794 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.451 2.092 -2.833 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.486 -1.975 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.629 1.427 -4.331 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.677 -2.657 -3.767 1.00 0.00 H new ATOM 0 HH TYR A 56 3.989 -2.018 -5.075 1.00 0.00 H new ATOM 882 N GLU A 57 11.033 1.093 -0.617 1.00 0.00 N ATOM 883 CA GLU A 57 11.976 1.754 0.308 1.00 0.00 C ATOM 884 C GLU A 57 13.091 2.403 -0.490 1.00 0.00 C ATOM 885 O GLU A 57 13.614 3.449 -0.142 1.00 0.00 O ATOM 886 CB GLU A 57 12.515 0.661 1.283 1.00 0.00 C ATOM 887 CG GLU A 57 13.756 -0.046 0.724 1.00 0.00 C ATOM 888 CD GLU A 57 14.995 0.825 0.945 1.00 0.00 C ATOM 889 OE1 GLU A 57 15.191 1.204 2.088 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.674 1.061 -0.038 1.00 0.00 O ATOM 0 H GLU A 57 11.028 0.073 -0.592 1.00 0.00 H new ATOM 0 HA GLU A 57 11.492 2.542 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.760 1.119 2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.733 -0.074 1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.887 -1.011 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.625 -0.244 -0.340 1.00 0.00 H new ATOM 897 N LYS A 58 13.405 1.762 -1.549 1.00 0.00 N ATOM 898 CA LYS A 58 14.467 2.253 -2.444 1.00 0.00 C ATOM 899 C LYS A 58 14.003 3.492 -3.205 1.00 0.00 C ATOM 900 O LYS A 58 14.772 4.402 -3.443 1.00 0.00 O ATOM 901 CB LYS A 58 14.792 1.125 -3.453 1.00 0.00 C ATOM 902 CG LYS A 58 16.072 1.473 -4.240 1.00 0.00 C ATOM 903 CD LYS A 58 17.315 1.071 -3.425 1.00 0.00 C ATOM 904 CE LYS A 58 18.565 1.260 -4.288 1.00 0.00 C ATOM 905 NZ LYS A 58 18.436 2.478 -5.136 1.00 0.00 N ATOM 0 H LYS A 58 12.963 0.893 -1.848 1.00 0.00 H new ATOM 0 HA LYS A 58 15.346 2.523 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.925 0.181 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.958 0.990 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.072 0.954 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.098 2.541 -4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.386 1.679 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.234 0.033 -3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.445 1.346 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.713 0.384 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.381 2.795 -5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.863 2.257 -5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.974 3.233 -4.591 1.00 0.00 H new ATOM 919 N LYS A 59 12.750 3.506 -3.568 1.00 0.00 N ATOM 920 CA LYS A 59 12.224 4.669 -4.308 1.00 0.00 C ATOM 921 C LYS A 59 12.466 5.937 -3.523 1.00 0.00 C ATOM 922 O LYS A 59 13.039 6.887 -4.016 1.00 0.00 O ATOM 923 CB LYS A 59 10.705 4.485 -4.476 1.00 0.00 C ATOM 924 CG LYS A 59 10.178 5.514 -5.478 1.00 0.00 C ATOM 925 CD LYS A 59 8.709 5.207 -5.790 1.00 0.00 C ATOM 926 CE LYS A 59 8.070 6.421 -6.471 1.00 0.00 C ATOM 927 NZ LYS A 59 8.894 6.866 -7.629 1.00 0.00 N ATOM 0 H LYS A 59 12.077 2.763 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 59 12.722 4.742 -5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.486 3.476 -4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.204 4.606 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.273 6.520 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.770 5.485 -6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.638 4.333 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.173 4.967 -4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.065 6.168 -6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.970 7.236 -5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.325 7.484 -8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.724 7.390 -7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.209 6.036 -8.170 1.00 0.00 H new ATOM 941 N ALA A 60 12.016 5.925 -2.312 1.00 0.00 N ATOM 942 CA ALA A 60 12.196 7.112 -1.451 1.00 0.00 C ATOM 943 C ALA A 60 13.658 7.560 -1.416 1.00 0.00 C ATOM 944 O ALA A 60 13.944 8.739 -1.438 1.00 0.00 O ATOM 945 CB ALA A 60 11.757 6.750 -0.021 1.00 0.00 C ATOM 0 H ALA A 60 11.529 5.141 -1.878 1.00 0.00 H new ATOM 0 HA ALA A 60 11.596 7.927 -1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.883 7.616 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.709 6.451 -0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.367 5.926 0.349 1.00 0.00 H new