USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=11 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 -15:sc= 0.592 USER MOD Single : A 19 SER OG : rot -26:sc= 0.301 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= -0.0953 (180deg=-0.792) USER MOD Single : A 29 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=-0.0014) 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 -167:sc= -1.55 (180deg=-2.05!) USER MOD Single : A 46 ASN : amide:sc= -0.0161 K(o=-0.016,f=-1.6!) USER MOD Single : A 47 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.8!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00549 USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= 1.25 (180deg=0.568) USER MOD Single : A 54 GLN : amide:sc= -3.42 K(o=-3.4,f=-9.6!) USER MOD Single : A 56 TYR OH : rot -111:sc= 0.333 USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.589) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 6.216 7.026 5.057 1.00 0.00 N ATOM 184 CA SER A 12 6.344 5.595 5.461 1.00 0.00 C ATOM 185 C SER A 12 6.611 4.744 4.227 1.00 0.00 C ATOM 186 O SER A 12 6.025 4.962 3.188 1.00 0.00 O ATOM 187 CB SER A 12 5.013 5.139 6.123 1.00 0.00 C ATOM 188 OG SER A 12 5.249 5.291 7.515 1.00 0.00 O ATOM 0 HA SER A 12 7.168 5.480 6.165 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.173 5.750 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.775 4.106 5.869 1.00 0.00 H new ATOM 0 HG SER A 12 4.449 5.023 8.014 1.00 0.00 H new ATOM 194 N ALA A 13 7.500 3.800 4.349 1.00 0.00 N ATOM 195 CA ALA A 13 7.797 2.943 3.183 1.00 0.00 C ATOM 196 C ALA A 13 6.519 2.416 2.574 1.00 0.00 C ATOM 197 O ALA A 13 6.465 2.104 1.399 1.00 0.00 O ATOM 198 CB ALA A 13 8.631 1.746 3.655 1.00 0.00 C ATOM 0 H ALA A 13 8.026 3.590 5.198 1.00 0.00 H new ATOM 0 HA ALA A 13 8.336 3.531 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.859 1.103 2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.560 2.103 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.068 1.180 4.397 1.00 0.00 H new ATOM 204 N PHE A 14 5.500 2.324 3.391 1.00 0.00 N ATOM 205 CA PHE A 14 4.199 1.815 2.890 1.00 0.00 C ATOM 206 C PHE A 14 3.321 2.960 2.353 1.00 0.00 C ATOM 207 O PHE A 14 2.374 2.727 1.643 1.00 0.00 O ATOM 208 CB PHE A 14 3.497 1.055 4.068 1.00 0.00 C ATOM 209 CG PHE A 14 2.053 1.519 4.289 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.803 2.782 4.751 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.990 0.669 4.028 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.508 3.208 4.957 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.300 1.090 4.229 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.544 2.360 4.696 1.00 0.00 C ATOM 0 H PHE A 14 5.518 2.580 4.378 1.00 0.00 H new ATOM 0 HA PHE A 14 4.359 1.135 2.053 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.503 -0.015 3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.068 1.206 4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.626 3.450 4.956 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.178 -0.330 3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.319 4.206 5.323 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.124 0.424 4.020 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.559 2.691 4.858 1.00 0.00 H new ATOM 224 N PHE A 15 3.625 4.164 2.736 1.00 0.00 N ATOM 225 CA PHE A 15 2.801 5.298 2.233 1.00 0.00 C ATOM 226 C PHE A 15 2.943 5.356 0.743 1.00 0.00 C ATOM 227 O PHE A 15 1.989 5.564 0.016 1.00 0.00 O ATOM 228 CB PHE A 15 3.331 6.614 2.818 1.00 0.00 C ATOM 229 CG PHE A 15 2.525 7.784 2.237 1.00 0.00 C ATOM 230 CD1 PHE A 15 1.157 7.869 2.443 1.00 0.00 C ATOM 231 CD2 PHE A 15 3.152 8.766 1.491 1.00 0.00 C ATOM 232 CE1 PHE A 15 0.434 8.914 1.910 1.00 0.00 C ATOM 233 CE2 PHE A 15 2.425 9.811 0.959 1.00 0.00 C ATOM 234 CZ PHE A 15 1.068 9.885 1.169 1.00 0.00 C ATOM 0 H PHE A 15 4.391 4.412 3.362 1.00 0.00 H new ATOM 0 HA PHE A 15 1.760 5.157 2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.247 6.603 3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.388 6.732 2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.654 7.111 3.025 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.218 8.714 1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.632 8.971 2.074 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.923 10.572 0.377 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.500 10.704 0.753 1.00 0.00 H new ATOM 244 N LEU A 16 4.149 5.165 0.321 1.00 0.00 N ATOM 245 CA LEU A 16 4.440 5.192 -1.111 1.00 0.00 C ATOM 246 C LEU A 16 3.680 4.064 -1.792 1.00 0.00 C ATOM 247 O LEU A 16 3.412 4.105 -2.976 1.00 0.00 O ATOM 248 CB LEU A 16 5.954 4.937 -1.283 1.00 0.00 C ATOM 249 CG LEU A 16 6.765 5.851 -0.338 1.00 0.00 C ATOM 250 CD1 LEU A 16 8.265 5.500 -0.473 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.526 7.322 -0.715 1.00 0.00 C ATOM 0 H LEU A 16 4.954 4.989 0.923 1.00 0.00 H new ATOM 0 HA LEU A 16 4.149 6.148 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.180 3.892 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.245 5.122 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 16 6.449 5.700 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.849 6.139 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.420 4.456 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.584 5.658 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.099 7.966 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.845 7.490 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.465 7.554 -0.621 1.00 0.00 H new ATOM 263 N PHE A 17 3.348 3.072 -1.004 1.00 0.00 N ATOM 264 CA PHE A 17 2.607 1.903 -1.524 1.00 0.00 C ATOM 265 C PHE A 17 1.109 2.097 -1.355 1.00 0.00 C ATOM 266 O PHE A 17 0.317 1.569 -2.107 1.00 0.00 O ATOM 267 CB PHE A 17 3.089 0.726 -0.680 1.00 0.00 C ATOM 268 CG PHE A 17 2.164 -0.476 -0.756 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.969 -0.483 -0.050 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.550 -1.605 -1.440 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.180 -1.605 -0.030 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.759 -2.732 -1.420 1.00 0.00 C ATOM 273 CZ PHE A 17 0.575 -2.730 -0.710 1.00 0.00 C ATOM 0 H PHE A 17 3.567 3.031 -0.009 1.00 0.00 H new ATOM 0 HA PHE A 17 2.784 1.749 -2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.085 0.433 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.179 1.043 0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.658 0.401 0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.477 -1.608 -1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.750 -1.603 0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.065 -3.617 -1.959 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.042 -3.616 -0.690 1.00 0.00 H new ATOM 283 N CYS A 18 0.744 2.836 -0.352 1.00 0.00 N ATOM 284 CA CYS A 18 -0.683 3.072 -0.120 1.00 0.00 C ATOM 285 C CYS A 18 -1.349 3.591 -1.395 1.00 0.00 C ATOM 286 O CYS A 18 -2.299 3.017 -1.883 1.00 0.00 O ATOM 287 CB CYS A 18 -0.824 4.131 0.990 1.00 0.00 C ATOM 288 SG CYS A 18 -2.477 4.793 1.303 1.00 0.00 S ATOM 0 H CYS A 18 1.378 3.282 0.311 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.165 2.139 0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.454 3.697 1.919 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.168 4.966 0.744 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.260 4.492 0.310 1.00 0.00 H new ATOM 294 N SER A 19 -0.827 4.663 -1.917 1.00 0.00 N ATOM 295 CA SER A 19 -1.414 5.231 -3.152 1.00 0.00 C ATOM 296 C SER A 19 -1.279 4.275 -4.343 1.00 0.00 C ATOM 297 O SER A 19 -1.937 4.444 -5.350 1.00 0.00 O ATOM 298 CB SER A 19 -0.664 6.528 -3.481 1.00 0.00 C ATOM 299 OG SER A 19 -1.411 7.104 -4.543 1.00 0.00 O ATOM 0 H SER A 19 -0.023 5.166 -1.542 1.00 0.00 H new ATOM 0 HA SER A 19 -2.476 5.407 -2.980 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.621 7.193 -2.618 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.365 6.328 -3.781 1.00 0.00 H new ATOM 0 HG SER A 19 -1.879 6.397 -5.035 1.00 0.00 H new ATOM 305 N GLU A 20 -0.426 3.288 -4.210 1.00 0.00 N ATOM 306 CA GLU A 20 -0.240 2.319 -5.328 1.00 0.00 C ATOM 307 C GLU A 20 -1.307 1.216 -5.315 1.00 0.00 C ATOM 308 O GLU A 20 -1.944 0.972 -6.312 1.00 0.00 O ATOM 309 CB GLU A 20 1.158 1.671 -5.171 1.00 0.00 C ATOM 310 CG GLU A 20 1.337 0.538 -6.190 1.00 0.00 C ATOM 311 CD GLU A 20 1.013 1.052 -7.595 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.812 1.837 -8.081 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.014 0.634 -8.101 1.00 0.00 O ATOM 0 H GLU A 20 0.144 3.115 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.331 2.855 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.933 2.424 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.274 1.281 -4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.360 0.164 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.684 -0.297 -5.938 1.00 0.00 H new ATOM 320 N TYR A 21 -1.454 0.555 -4.187 1.00 0.00 N ATOM 321 CA TYR A 21 -2.467 -0.540 -4.082 1.00 0.00 C ATOM 322 C TYR A 21 -3.846 -0.028 -3.702 1.00 0.00 C ATOM 323 O TYR A 21 -4.684 -0.783 -3.254 1.00 0.00 O ATOM 324 CB TYR A 21 -1.974 -1.506 -2.981 1.00 0.00 C ATOM 325 CG TYR A 21 -1.051 -2.541 -3.592 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.264 -2.234 -3.821 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.523 -3.789 -3.917 1.00 0.00 C ATOM 328 CE1 TYR A 21 1.117 -3.168 -4.371 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.678 -4.730 -4.469 1.00 0.00 C ATOM 330 CZ TYR A 21 0.651 -4.427 -4.702 1.00 0.00 C ATOM 331 OH TYR A 21 1.497 -5.362 -5.263 1.00 0.00 O ATOM 0 H TYR A 21 -0.916 0.729 -3.338 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.564 -1.024 -5.054 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.450 -0.951 -2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.824 -1.996 -2.506 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.636 -1.252 -3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.560 -4.035 -3.740 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.153 -2.915 -4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.057 -5.709 -4.721 1.00 0.00 H new ATOM 0 HH TYR A 21 1.003 -6.192 -5.430 1.00 0.00 H new ATOM 341 N ARG A 22 -4.065 1.217 -3.896 1.00 0.00 N ATOM 342 CA ARG A 22 -5.394 1.779 -3.545 1.00 0.00 C ATOM 343 C ARG A 22 -6.506 1.432 -4.574 1.00 0.00 C ATOM 344 O ARG A 22 -7.643 1.269 -4.196 1.00 0.00 O ATOM 345 CB ARG A 22 -5.283 3.316 -3.432 1.00 0.00 C ATOM 346 CG ARG A 22 -6.464 3.838 -2.593 1.00 0.00 C ATOM 347 CD ARG A 22 -6.349 5.359 -2.419 1.00 0.00 C ATOM 348 NE ARG A 22 -5.473 5.646 -1.245 1.00 0.00 N ATOM 349 CZ ARG A 22 -5.531 6.816 -0.666 1.00 0.00 C ATOM 350 NH1 ARG A 22 -6.360 7.712 -1.131 1.00 0.00 N ATOM 351 NH2 ARG A 22 -4.756 7.053 0.357 1.00 0.00 N ATOM 0 H ARG A 22 -3.393 1.881 -4.281 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.683 1.327 -2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.337 3.593 -2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.295 3.769 -4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.406 3.589 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.472 3.351 -1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.933 5.811 -3.319 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.336 5.797 -2.269 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.833 4.933 -0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.949 7.493 -1.934 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.418 8.630 -0.691 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.119 6.331 0.692 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.788 7.961 0.821 1.00 0.00 H new ATOM 365 N PRO A 23 -6.162 1.320 -5.868 1.00 0.00 N ATOM 366 CA PRO A 23 -7.162 0.998 -6.894 1.00 0.00 C ATOM 367 C PRO A 23 -7.468 -0.513 -6.965 1.00 0.00 C ATOM 368 O PRO A 23 -8.581 -0.906 -7.254 1.00 0.00 O ATOM 369 CB PRO A 23 -6.494 1.462 -8.230 1.00 0.00 C ATOM 370 CG PRO A 23 -4.977 1.700 -7.918 1.00 0.00 C ATOM 371 CD PRO A 23 -4.800 1.522 -6.387 1.00 0.00 C ATOM 0 HA PRO A 23 -8.115 1.483 -6.683 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.615 0.706 -9.006 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.961 2.375 -8.599 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.354 0.991 -8.464 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.671 2.699 -8.229 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.160 0.669 -6.160 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.333 2.399 -5.939 1.00 0.00 H new ATOM 379 N LYS A 24 -6.477 -1.323 -6.698 1.00 0.00 N ATOM 380 CA LYS A 24 -6.699 -2.785 -6.752 1.00 0.00 C ATOM 381 C LYS A 24 -7.884 -3.189 -5.902 1.00 0.00 C ATOM 382 O LYS A 24 -8.838 -3.762 -6.387 1.00 0.00 O ATOM 383 CB LYS A 24 -5.442 -3.494 -6.213 1.00 0.00 C ATOM 384 CG LYS A 24 -4.266 -3.301 -7.196 1.00 0.00 C ATOM 385 CD LYS A 24 -4.370 -4.314 -8.353 1.00 0.00 C ATOM 386 CE LYS A 24 -3.078 -4.272 -9.172 1.00 0.00 C ATOM 387 NZ LYS A 24 -3.254 -5.004 -10.458 1.00 0.00 N ATOM 0 H LYS A 24 -5.532 -1.032 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.898 -3.069 -7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.179 -3.092 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.643 -4.557 -6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.275 -2.285 -7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.319 -3.432 -6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.534 -5.318 -7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.225 -4.076 -8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.799 -3.237 -9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.263 -4.718 -8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.369 -4.967 -11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.499 -5.996 -10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.018 -4.561 -11.008 1.00 0.00 H new ATOM 401 N ILE A 25 -7.800 -2.885 -4.649 1.00 0.00 N ATOM 402 CA ILE A 25 -8.904 -3.237 -3.738 1.00 0.00 C ATOM 403 C ILE A 25 -10.112 -2.325 -3.980 1.00 0.00 C ATOM 404 O ILE A 25 -11.190 -2.788 -4.301 1.00 0.00 O ATOM 405 CB ILE A 25 -8.402 -3.065 -2.273 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.243 -2.041 -2.221 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.876 -4.432 -1.759 1.00 0.00 C ATOM 408 CD1 ILE A 25 -7.131 -1.452 -0.801 1.00 0.00 C ATOM 0 H ILE A 25 -7.011 -2.406 -4.215 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.213 -4.267 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.226 -2.711 -1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.306 -2.524 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.418 -1.243 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.522 -4.323 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.681 -5.166 -1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.055 -4.768 -2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.314 -0.732 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.064 -0.954 -0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.936 -2.254 -0.089 1.00 0.00 H new ATOM 420 N LYS A 26 -9.905 -1.049 -3.820 1.00 0.00 N ATOM 421 CA LYS A 26 -11.015 -0.095 -4.032 1.00 0.00 C ATOM 422 C LYS A 26 -11.704 -0.394 -5.356 1.00 0.00 C ATOM 423 O LYS A 26 -12.833 -0.005 -5.583 1.00 0.00 O ATOM 424 CB LYS A 26 -10.418 1.330 -4.068 1.00 0.00 C ATOM 425 CG LYS A 26 -11.546 2.385 -4.060 1.00 0.00 C ATOM 426 CD LYS A 26 -12.056 2.604 -2.628 1.00 0.00 C ATOM 427 CE LYS A 26 -12.977 3.824 -2.614 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.214 5.058 -2.955 1.00 0.00 N ATOM 0 H LYS A 26 -9.014 -0.630 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.747 -0.181 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.765 1.480 -3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.804 1.452 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.178 3.325 -4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.365 2.057 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.593 1.722 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.218 2.756 -1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.789 3.682 -3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.433 3.932 -1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.675 5.883 -2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.242 4.975 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.192 5.178 -3.988 1.00 0.00 H new ATOM 442 N GLY A 27 -11.016 -1.109 -6.198 1.00 0.00 N ATOM 443 CA GLY A 27 -11.603 -1.450 -7.509 1.00 0.00 C ATOM 444 C GLY A 27 -12.833 -2.320 -7.302 1.00 0.00 C ATOM 445 O GLY A 27 -13.939 -1.928 -7.616 1.00 0.00 O ATOM 0 H GLY A 27 -10.076 -1.469 -6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.873 -0.541 -8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.871 -1.976 -8.122 1.00 0.00 H new ATOM 449 N GLU A 28 -12.611 -3.492 -6.775 1.00 0.00 N ATOM 450 CA GLU A 28 -13.732 -4.406 -6.532 1.00 0.00 C ATOM 451 C GLU A 28 -14.504 -3.964 -5.306 1.00 0.00 C ATOM 452 O GLU A 28 -15.409 -4.638 -4.856 1.00 0.00 O ATOM 453 CB GLU A 28 -13.167 -5.810 -6.285 1.00 0.00 C ATOM 454 CG GLU A 28 -12.239 -6.198 -7.442 1.00 0.00 C ATOM 455 CD GLU A 28 -10.876 -5.527 -7.250 1.00 0.00 C ATOM 456 OE1 GLU A 28 -10.340 -5.693 -6.167 1.00 0.00 O ATOM 457 OE2 GLU A 28 -10.450 -4.887 -8.196 1.00 0.00 O ATOM 0 H GLU A 28 -11.693 -3.846 -6.505 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.399 -4.405 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.620 -5.833 -5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.980 -6.531 -6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.121 -7.281 -7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.677 -5.891 -8.392 1.00 0.00 H new ATOM 464 N HIS A 29 -14.125 -2.822 -4.782 1.00 0.00 N ATOM 465 CA HIS A 29 -14.806 -2.281 -3.576 1.00 0.00 C ATOM 466 C HIS A 29 -15.058 -0.769 -3.734 1.00 0.00 C ATOM 467 O HIS A 29 -14.432 0.036 -3.068 1.00 0.00 O ATOM 468 CB HIS A 29 -13.860 -2.492 -2.392 1.00 0.00 C ATOM 469 CG HIS A 29 -13.850 -3.969 -2.001 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.582 -4.479 -1.129 1.00 0.00 N ATOM 471 CD2 HIS A 29 -13.064 -5.002 -2.471 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.350 -5.716 -0.991 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.390 -6.148 -1.813 1.00 0.00 N ATOM 0 H HIS A 29 -13.368 -2.243 -5.145 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.762 -2.783 -3.430 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.853 -2.168 -2.656 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.179 -1.884 -1.546 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.310 -4.915 -3.239 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.870 -6.350 -0.288 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.004 -7.086 -1.919 1.00 0.00 H new ATOM 481 N PRO A 30 -15.978 -0.410 -4.626 1.00 0.00 N ATOM 482 CA PRO A 30 -16.303 0.998 -4.866 1.00 0.00 C ATOM 483 C PRO A 30 -17.026 1.627 -3.657 1.00 0.00 C ATOM 484 O PRO A 30 -18.191 1.968 -3.726 1.00 0.00 O ATOM 485 CB PRO A 30 -17.234 0.976 -6.131 1.00 0.00 C ATOM 486 CG PRO A 30 -17.582 -0.524 -6.417 1.00 0.00 C ATOM 487 CD PRO A 30 -16.732 -1.382 -5.446 1.00 0.00 C ATOM 0 HA PRO A 30 -15.409 1.603 -5.017 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.140 1.555 -5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.732 1.425 -6.988 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.645 -0.709 -6.264 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.360 -0.780 -7.453 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.365 -2.015 -4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.058 -2.043 -5.992 1.00 0.00 H new ATOM 495 N GLY A 31 -16.320 1.768 -2.565 1.00 0.00 N ATOM 496 CA GLY A 31 -16.967 2.373 -1.366 1.00 0.00 C ATOM 497 C GLY A 31 -16.169 2.100 -0.084 1.00 0.00 C ATOM 498 O GLY A 31 -16.729 2.102 0.997 1.00 0.00 O ATOM 0 H GLY A 31 -15.343 1.496 -2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.064 3.449 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.975 1.974 -1.258 1.00 0.00 H new ATOM 502 N LEU A 32 -14.884 1.868 -0.206 1.00 0.00 N ATOM 503 CA LEU A 32 -14.102 1.605 1.032 1.00 0.00 C ATOM 504 C LEU A 32 -14.053 2.849 1.879 1.00 0.00 C ATOM 505 O LEU A 32 -14.134 3.955 1.383 1.00 0.00 O ATOM 506 CB LEU A 32 -12.608 1.266 0.698 1.00 0.00 C ATOM 507 CG LEU A 32 -12.412 -0.157 0.130 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.899 -0.477 0.187 1.00 0.00 C ATOM 509 CD2 LEU A 32 -13.157 -1.193 0.985 1.00 0.00 C ATOM 0 H LEU A 32 -14.360 1.850 -1.081 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.588 0.773 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.231 1.992 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.008 1.374 1.602 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.799 -0.199 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.724 -1.478 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.350 0.250 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.556 -0.429 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.005 -2.188 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.774 -1.166 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.222 -0.961 0.991 1.00 0.00 H new ATOM 521 N SER A 33 -13.923 2.647 3.150 1.00 0.00 N ATOM 522 CA SER A 33 -13.855 3.783 4.069 1.00 0.00 C ATOM 523 C SER A 33 -12.398 4.107 4.281 1.00 0.00 C ATOM 524 O SER A 33 -11.572 3.216 4.293 1.00 0.00 O ATOM 525 CB SER A 33 -14.474 3.376 5.413 1.00 0.00 C ATOM 526 OG SER A 33 -15.747 2.857 5.067 1.00 0.00 O ATOM 0 H SER A 33 -13.861 1.729 3.590 1.00 0.00 H new ATOM 0 HA SER A 33 -14.392 4.642 3.666 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.865 2.629 5.922 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.561 4.229 6.086 1.00 0.00 H new ATOM 0 HG SER A 33 -16.214 2.569 5.879 1.00 0.00 H new ATOM 532 N ILE A 34 -12.078 5.354 4.432 1.00 0.00 N ATOM 533 CA ILE A 34 -10.652 5.698 4.642 1.00 0.00 C ATOM 534 C ILE A 34 -10.049 4.786 5.700 1.00 0.00 C ATOM 535 O ILE A 34 -8.859 4.536 5.717 1.00 0.00 O ATOM 536 CB ILE A 34 -10.573 7.146 5.108 1.00 0.00 C ATOM 537 CG1 ILE A 34 -11.394 8.025 4.157 1.00 0.00 C ATOM 538 CG2 ILE A 34 -9.097 7.599 5.065 1.00 0.00 C ATOM 539 CD1 ILE A 34 -11.107 9.505 4.439 1.00 0.00 C ATOM 0 H ILE A 34 -12.729 6.139 4.420 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.096 5.569 3.713 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.964 7.235 6.121 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.146 7.788 3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.457 7.821 4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.025 8.635 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.503 6.965 5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.721 7.517 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.693 10.125 3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.378 9.738 5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.046 9.705 4.288 1.00 0.00 H new ATOM 551 N GLY A 35 -10.895 4.301 6.558 1.00 0.00 N ATOM 552 CA GLY A 35 -10.416 3.398 7.628 1.00 0.00 C ATOM 553 C GLY A 35 -10.122 2.005 7.047 1.00 0.00 C ATOM 554 O GLY A 35 -9.207 1.339 7.469 1.00 0.00 O ATOM 0 H GLY A 35 -11.897 4.492 6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.515 3.808 8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.167 3.322 8.415 1.00 0.00 H new ATOM 558 N ASP A 36 -10.909 1.602 6.078 1.00 0.00 N ATOM 559 CA ASP A 36 -10.690 0.264 5.462 1.00 0.00 C ATOM 560 C ASP A 36 -9.563 0.302 4.468 1.00 0.00 C ATOM 561 O ASP A 36 -8.766 -0.611 4.380 1.00 0.00 O ATOM 562 CB ASP A 36 -11.984 -0.132 4.709 1.00 0.00 C ATOM 563 CG ASP A 36 -12.104 -1.660 4.651 1.00 0.00 C ATOM 564 OD1 ASP A 36 -12.639 -2.198 5.607 1.00 0.00 O ATOM 565 OD2 ASP A 36 -11.655 -2.200 3.655 1.00 0.00 O ATOM 0 H ASP A 36 -11.686 2.139 5.693 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.441 -0.450 6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.853 0.291 5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.969 0.279 3.700 1.00 0.00 H new ATOM 570 N VAL A 37 -9.517 1.354 3.738 1.00 0.00 N ATOM 571 CA VAL A 37 -8.467 1.492 2.741 1.00 0.00 C ATOM 572 C VAL A 37 -7.118 1.336 3.385 1.00 0.00 C ATOM 573 O VAL A 37 -6.451 0.342 3.224 1.00 0.00 O ATOM 574 CB VAL A 37 -8.567 2.913 2.144 1.00 0.00 C ATOM 575 CG1 VAL A 37 -7.394 3.139 1.202 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.884 3.068 1.373 1.00 0.00 C ATOM 0 H VAL A 37 -10.173 2.133 3.793 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.584 0.729 1.972 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.542 3.647 2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.457 4.140 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.459 3.038 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.424 2.401 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.945 4.073 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.921 2.337 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.723 2.904 2.049 1.00 0.00 H new ATOM 586 N ALA A 38 -6.769 2.314 4.131 1.00 0.00 N ATOM 587 CA ALA A 38 -5.472 2.283 4.813 1.00 0.00 C ATOM 588 C ALA A 38 -5.252 0.981 5.590 1.00 0.00 C ATOM 589 O ALA A 38 -4.129 0.536 5.728 1.00 0.00 O ATOM 590 CB ALA A 38 -5.425 3.471 5.765 1.00 0.00 C ATOM 0 H ALA A 38 -7.332 3.147 4.303 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.678 2.337 4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.470 3.478 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.535 4.396 5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.237 3.390 6.488 1.00 0.00 H new ATOM 596 N LYS A 39 -6.311 0.384 6.089 1.00 0.00 N ATOM 597 CA LYS A 39 -6.121 -0.879 6.844 1.00 0.00 C ATOM 598 C LYS A 39 -5.708 -2.006 5.894 1.00 0.00 C ATOM 599 O LYS A 39 -4.723 -2.682 6.116 1.00 0.00 O ATOM 600 CB LYS A 39 -7.468 -1.248 7.543 1.00 0.00 C ATOM 601 CG LYS A 39 -7.450 -0.800 9.028 1.00 0.00 C ATOM 602 CD LYS A 39 -6.879 0.653 9.157 1.00 0.00 C ATOM 603 CE LYS A 39 -7.605 1.408 10.287 1.00 0.00 C ATOM 604 NZ LYS A 39 -7.200 2.842 10.297 1.00 0.00 N ATOM 0 H LYS A 39 -7.273 0.713 6.005 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.335 -0.747 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.298 -0.769 7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.633 -2.324 7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.459 -0.838 9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.842 -1.489 9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.809 0.615 9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.003 1.186 8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.684 1.329 10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.370 0.950 11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.697 3.338 11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.173 2.912 10.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.446 3.279 9.386 1.00 0.00 H new ATOM 618 N LYS A 40 -6.469 -2.175 4.861 1.00 0.00 N ATOM 619 CA LYS A 40 -6.154 -3.242 3.880 1.00 0.00 C ATOM 620 C LYS A 40 -4.764 -3.047 3.291 1.00 0.00 C ATOM 621 O LYS A 40 -4.031 -3.988 3.100 1.00 0.00 O ATOM 622 CB LYS A 40 -7.187 -3.174 2.742 1.00 0.00 C ATOM 623 CG LYS A 40 -8.591 -3.529 3.288 1.00 0.00 C ATOM 624 CD LYS A 40 -8.768 -5.059 3.331 1.00 0.00 C ATOM 625 CE LYS A 40 -10.216 -5.386 3.708 1.00 0.00 C ATOM 626 NZ LYS A 40 -10.375 -6.851 3.932 1.00 0.00 N ATOM 0 H LYS A 40 -7.299 -1.620 4.650 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.186 -4.208 4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.198 -2.175 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.911 -3.865 1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.718 -3.112 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.359 -3.083 2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.525 -5.493 2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.083 -5.497 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.496 -4.841 4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.888 -5.058 2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.362 -7.058 4.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.127 -7.364 3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.747 -7.154 4.704 1.00 0.00 H new ATOM 640 N LEU A 41 -4.430 -1.833 2.991 1.00 0.00 N ATOM 641 CA LEU A 41 -3.093 -1.588 2.419 1.00 0.00 C ATOM 642 C LEU A 41 -2.031 -1.931 3.416 1.00 0.00 C ATOM 643 O LEU A 41 -1.026 -2.526 3.085 1.00 0.00 O ATOM 644 CB LEU A 41 -2.973 -0.102 2.071 1.00 0.00 C ATOM 645 CG LEU A 41 -4.037 0.254 1.045 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.950 1.771 0.714 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.831 -0.595 -0.242 1.00 0.00 C ATOM 0 H LEU A 41 -5.018 -1.009 3.116 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.966 -2.206 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.096 0.506 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.981 0.113 1.674 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.025 0.037 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.712 2.027 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.112 2.351 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.964 1.999 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.596 -0.337 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.845 -0.390 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.908 -1.654 0.005 1.00 0.00 H new ATOM 659 N GLY A 42 -2.266 -1.548 4.622 1.00 0.00 N ATOM 660 CA GLY A 42 -1.281 -1.840 5.668 1.00 0.00 C ATOM 661 C GLY A 42 -1.092 -3.352 5.782 1.00 0.00 C ATOM 662 O GLY A 42 -0.051 -3.824 6.196 1.00 0.00 O ATOM 0 H GLY A 42 -3.099 -1.045 4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.331 -1.361 5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.616 -1.432 6.622 1.00 0.00 H new ATOM 666 N GLU A 43 -2.117 -4.083 5.403 1.00 0.00 N ATOM 667 CA GLU A 43 -2.040 -5.553 5.474 1.00 0.00 C ATOM 668 C GLU A 43 -1.260 -6.099 4.280 1.00 0.00 C ATOM 669 O GLU A 43 -0.220 -6.704 4.444 1.00 0.00 O ATOM 670 CB GLU A 43 -3.486 -6.108 5.449 1.00 0.00 C ATOM 671 CG GLU A 43 -4.061 -6.081 6.872 1.00 0.00 C ATOM 672 CD GLU A 43 -5.584 -6.238 6.813 1.00 0.00 C ATOM 673 OE1 GLU A 43 -6.221 -5.229 6.559 1.00 0.00 O ATOM 674 OE2 GLU A 43 -6.022 -7.355 7.025 1.00 0.00 O ATOM 0 H GLU A 43 -2.998 -3.711 5.049 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.528 -5.857 6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.106 -5.510 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.491 -7.127 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.625 -6.884 7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.801 -5.143 7.363 1.00 0.00 H new ATOM 681 N MET A 44 -1.774 -5.875 3.094 1.00 0.00 N ATOM 682 CA MET A 44 -1.059 -6.381 1.889 1.00 0.00 C ATOM 683 C MET A 44 0.405 -6.008 1.971 1.00 0.00 C ATOM 684 O MET A 44 1.274 -6.793 1.662 1.00 0.00 O ATOM 685 CB MET A 44 -1.692 -5.731 0.635 1.00 0.00 C ATOM 686 CG MET A 44 -2.945 -6.528 0.248 1.00 0.00 C ATOM 687 SD MET A 44 -4.000 -5.845 -1.045 1.00 0.00 S ATOM 688 CE MET A 44 -4.254 -4.235 -0.279 1.00 0.00 C ATOM 0 H MET A 44 -2.643 -5.372 2.913 1.00 0.00 H new ATOM 0 HA MET A 44 -1.144 -7.466 1.832 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.953 -4.692 0.838 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.978 -5.725 -0.189 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.627 -7.522 -0.067 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.552 -6.657 1.144 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.065 -3.714 -0.787 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.511 -4.369 0.772 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.340 -3.647 -0.357 1.00 0.00 H new ATOM 698 N TRP A 45 0.649 -4.816 2.384 1.00 0.00 N ATOM 699 CA TRP A 45 2.040 -4.365 2.501 1.00 0.00 C ATOM 700 C TRP A 45 2.792 -5.310 3.401 1.00 0.00 C ATOM 701 O TRP A 45 3.713 -5.979 2.986 1.00 0.00 O ATOM 702 CB TRP A 45 2.008 -2.982 3.141 1.00 0.00 C ATOM 703 CG TRP A 45 3.399 -2.550 3.574 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.778 -2.451 4.832 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.321 -2.099 2.769 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.989 -1.896 4.756 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.412 -1.636 3.470 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.290 -2.001 1.403 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.465 -1.072 2.799 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.343 -1.439 0.732 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.426 -0.970 1.431 1.00 0.00 C ATOM 0 H TRP A 45 -0.058 -4.130 2.647 1.00 0.00 H new ATOM 0 HA TRP A 45 2.528 -4.336 1.527 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.603 -2.259 2.433 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.341 -2.992 4.003 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.236 -2.749 5.717 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.553 -1.683 5.579 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.434 -2.367 0.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.323 -0.709 3.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.321 -1.365 -0.345 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.252 -0.518 0.902 1.00 0.00 H new ATOM 722 N ASN A 46 2.379 -5.343 4.628 1.00 0.00 N ATOM 723 CA ASN A 46 3.046 -6.239 5.602 1.00 0.00 C ATOM 724 C ASN A 46 3.271 -7.619 4.976 1.00 0.00 C ATOM 725 O ASN A 46 4.266 -8.268 5.232 1.00 0.00 O ATOM 726 CB ASN A 46 2.117 -6.387 6.838 1.00 0.00 C ATOM 727 CG ASN A 46 2.444 -5.296 7.869 1.00 0.00 C ATOM 728 OD1 ASN A 46 2.877 -4.214 7.528 1.00 0.00 O ATOM 729 ND2 ASN A 46 2.252 -5.548 9.137 1.00 0.00 N ATOM 0 H ASN A 46 1.608 -4.789 5.001 1.00 0.00 H new ATOM 0 HA ASN A 46 4.010 -5.820 5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.074 -6.310 6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.246 -7.373 7.285 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.466 -4.837 9.836 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.888 -6.456 9.427 1.00 0.00 H new ATOM 736 N ASN A 47 2.336 -8.035 4.160 1.00 0.00 N ATOM 737 CA ASN A 47 2.475 -9.350 3.515 1.00 0.00 C ATOM 738 C ASN A 47 3.537 -9.299 2.422 1.00 0.00 C ATOM 739 O ASN A 47 4.266 -10.250 2.216 1.00 0.00 O ATOM 740 CB ASN A 47 1.127 -9.729 2.881 1.00 0.00 C ATOM 741 CG ASN A 47 0.026 -9.661 3.943 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.290 -9.590 5.126 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.223 -9.680 3.560 1.00 0.00 N ATOM 0 H ASN A 47 1.491 -7.516 3.921 1.00 0.00 H new ATOM 0 HA ASN A 47 2.772 -10.086 4.262 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.896 -9.051 2.059 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.180 -10.733 2.461 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.970 -9.635 4.253 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.451 -9.740 2.568 1.00 0.00 H new ATOM 750 N THR A 48 3.606 -8.182 1.737 1.00 0.00 N ATOM 751 CA THR A 48 4.615 -8.049 0.654 1.00 0.00 C ATOM 752 C THR A 48 5.985 -8.495 1.147 1.00 0.00 C ATOM 753 O THR A 48 6.449 -8.050 2.175 1.00 0.00 O ATOM 754 CB THR A 48 4.694 -6.566 0.246 1.00 0.00 C ATOM 755 OG1 THR A 48 3.379 -6.205 -0.123 1.00 0.00 O ATOM 756 CG2 THR A 48 5.522 -6.379 -1.040 1.00 0.00 C ATOM 0 H THR A 48 3.010 -7.367 1.884 1.00 0.00 H new ATOM 0 HA THR A 48 4.323 -8.672 -0.191 1.00 0.00 H new ATOM 0 HB THR A 48 5.131 -5.990 1.062 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.362 -5.263 -0.394 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.557 -5.321 -1.299 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.535 -6.747 -0.877 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.060 -6.937 -1.854 1.00 0.00 H new ATOM 764 N ALA A 49 6.609 -9.370 0.410 1.00 0.00 N ATOM 765 CA ALA A 49 7.942 -9.847 0.827 1.00 0.00 C ATOM 766 C ALA A 49 8.941 -8.698 0.900 1.00 0.00 C ATOM 767 O ALA A 49 8.886 -7.773 0.113 1.00 0.00 O ATOM 768 CB ALA A 49 8.437 -10.868 -0.205 1.00 0.00 C ATOM 0 H ALA A 49 6.251 -9.770 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 49 7.860 -10.296 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.422 -11.232 0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.740 -11.705 -0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.501 -10.394 -1.184 1.00 0.00 H new ATOM 774 N ALA A 50 9.833 -8.778 1.848 1.00 0.00 N ATOM 775 CA ALA A 50 10.842 -7.708 1.995 1.00 0.00 C ATOM 776 C ALA A 50 11.512 -7.397 0.659 1.00 0.00 C ATOM 777 O ALA A 50 11.813 -6.259 0.363 1.00 0.00 O ATOM 778 CB ALA A 50 11.914 -8.191 2.988 1.00 0.00 C ATOM 0 H ALA A 50 9.902 -9.539 2.523 1.00 0.00 H new ATOM 0 HA ALA A 50 10.351 -6.803 2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.670 -7.416 3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.449 -8.402 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.383 -9.097 2.605 1.00 0.00 H new ATOM 784 N ASP A 51 11.734 -8.419 -0.127 1.00 0.00 N ATOM 785 CA ASP A 51 12.381 -8.204 -1.440 1.00 0.00 C ATOM 786 C ASP A 51 11.446 -7.487 -2.411 1.00 0.00 C ATOM 787 O ASP A 51 11.891 -6.804 -3.313 1.00 0.00 O ATOM 788 CB ASP A 51 12.744 -9.575 -2.030 1.00 0.00 C ATOM 789 CG ASP A 51 13.682 -9.381 -3.225 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.120 -8.255 -3.396 1.00 0.00 O ATOM 791 OD2 ASP A 51 13.910 -10.372 -3.901 1.00 0.00 O ATOM 0 H ASP A 51 11.494 -9.386 0.089 1.00 0.00 H new ATOM 0 HA ASP A 51 13.267 -7.585 -1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.225 -10.194 -1.272 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.841 -10.099 -2.343 1.00 0.00 H new ATOM 796 N ASP A 52 10.169 -7.656 -2.211 1.00 0.00 N ATOM 797 CA ASP A 52 9.187 -6.994 -3.114 1.00 0.00 C ATOM 798 C ASP A 52 8.987 -5.529 -2.730 1.00 0.00 C ATOM 799 O ASP A 52 8.383 -4.770 -3.459 1.00 0.00 O ATOM 800 CB ASP A 52 7.854 -7.735 -2.973 1.00 0.00 C ATOM 801 CG ASP A 52 7.918 -9.046 -3.767 1.00 0.00 C ATOM 802 OD1 ASP A 52 8.438 -8.987 -4.869 1.00 0.00 O ATOM 803 OD2 ASP A 52 7.444 -10.031 -3.224 1.00 0.00 O ATOM 0 H ASP A 52 9.764 -8.221 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 52 9.556 -7.027 -4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.649 -7.942 -1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.038 -7.113 -3.341 1.00 0.00 H new ATOM 808 N LYS A 53 9.484 -5.171 -1.582 1.00 0.00 N ATOM 809 CA LYS A 53 9.341 -3.759 -1.119 1.00 0.00 C ATOM 810 C LYS A 53 10.429 -2.875 -1.727 1.00 0.00 C ATOM 811 O LYS A 53 10.374 -1.663 -1.652 1.00 0.00 O ATOM 812 CB LYS A 53 9.510 -3.742 0.403 1.00 0.00 C ATOM 813 CG LYS A 53 8.271 -4.351 1.061 1.00 0.00 C ATOM 814 CD LYS A 53 8.310 -4.051 2.567 1.00 0.00 C ATOM 815 CE LYS A 53 7.022 -4.568 3.240 1.00 0.00 C ATOM 816 NZ LYS A 53 7.180 -5.992 3.636 1.00 0.00 N ATOM 0 H LYS A 53 9.982 -5.791 -0.943 1.00 0.00 H new ATOM 0 HA LYS A 53 8.365 -3.380 -1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.399 -4.305 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.655 -2.720 0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.366 -3.936 0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.245 -5.427 0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.182 -4.525 3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.410 -2.978 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.795 -3.963 4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.180 -4.466 2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.512 -6.216 4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.987 -6.603 2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.152 -6.154 3.968 1.00 0.00 H new ATOM 830 N GLN A 54 11.390 -3.516 -2.321 1.00 0.00 N ATOM 831 CA GLN A 54 12.515 -2.787 -2.956 1.00 0.00 C ATOM 832 C GLN A 54 12.072 -1.521 -3.752 1.00 0.00 C ATOM 833 O GLN A 54 12.526 -0.451 -3.474 1.00 0.00 O ATOM 834 CB GLN A 54 13.240 -3.789 -3.910 1.00 0.00 C ATOM 835 CG GLN A 54 14.582 -4.232 -3.296 1.00 0.00 C ATOM 836 CD GLN A 54 14.319 -4.975 -1.984 1.00 0.00 C ATOM 837 OE1 GLN A 54 13.456 -4.607 -1.212 1.00 0.00 O ATOM 838 NE2 GLN A 54 15.042 -6.023 -1.692 1.00 0.00 N ATOM 0 H GLN A 54 11.444 -4.532 -2.394 1.00 0.00 H new ATOM 0 HA GLN A 54 13.173 -2.422 -2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.607 -4.659 -4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.412 -3.320 -4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.117 -4.878 -3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.216 -3.364 -3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.768 -6.337 -2.336 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.880 -6.527 -0.820 1.00 0.00 H new ATOM 847 N PRO A 55 11.189 -1.665 -4.730 1.00 0.00 N ATOM 848 CA PRO A 55 10.748 -0.506 -5.507 1.00 0.00 C ATOM 849 C PRO A 55 10.519 0.717 -4.639 1.00 0.00 C ATOM 850 O PRO A 55 10.866 1.821 -5.010 1.00 0.00 O ATOM 851 CB PRO A 55 9.422 -0.969 -6.162 1.00 0.00 C ATOM 852 CG PRO A 55 9.401 -2.529 -6.073 1.00 0.00 C ATOM 853 CD PRO A 55 10.527 -2.936 -5.084 1.00 0.00 C ATOM 0 HA PRO A 55 11.501 -0.202 -6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.564 -0.540 -5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.367 -0.639 -7.199 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.432 -2.883 -5.723 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.568 -2.975 -7.054 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.120 -3.430 -4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.227 -3.633 -5.545 1.00 0.00 H new ATOM 861 N TYR A 56 9.952 0.500 -3.511 1.00 0.00 N ATOM 862 CA TYR A 56 9.691 1.647 -2.602 1.00 0.00 C ATOM 863 C TYR A 56 10.959 2.132 -1.899 1.00 0.00 C ATOM 864 O TYR A 56 11.185 3.322 -1.802 1.00 0.00 O ATOM 865 CB TYR A 56 8.680 1.205 -1.567 1.00 0.00 C ATOM 866 CG TYR A 56 7.402 0.811 -2.289 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.618 1.774 -2.866 1.00 0.00 C ATOM 868 CD2 TYR A 56 7.010 -0.501 -2.352 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.438 1.436 -3.496 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.836 -0.853 -2.982 1.00 0.00 C ATOM 871 CZ TYR A 56 5.036 0.112 -3.559 1.00 0.00 C ATOM 872 OH TYR A 56 3.855 -0.236 -4.184 1.00 0.00 O ATOM 0 H TYR A 56 9.654 -0.413 -3.167 1.00 0.00 H new ATOM 0 HA TYR A 56 9.315 2.480 -3.196 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.067 0.363 -0.993 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.484 2.010 -0.859 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.926 2.808 -2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.627 -1.266 -1.904 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.826 2.206 -3.941 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.540 -1.891 -3.024 1.00 0.00 H new ATOM 0 HH TYR A 56 3.212 -0.552 -3.515 1.00 0.00 H new ATOM 882 N GLU A 57 11.769 1.223 -1.414 1.00 0.00 N ATOM 883 CA GLU A 57 12.999 1.675 -0.733 1.00 0.00 C ATOM 884 C GLU A 57 13.909 2.294 -1.759 1.00 0.00 C ATOM 885 O GLU A 57 14.717 3.149 -1.469 1.00 0.00 O ATOM 886 CB GLU A 57 13.656 0.446 -0.048 1.00 0.00 C ATOM 887 CG GLU A 57 14.607 -0.301 -0.999 1.00 0.00 C ATOM 888 CD GLU A 57 15.988 0.368 -0.990 1.00 0.00 C ATOM 889 OE1 GLU A 57 16.648 0.234 0.030 1.00 0.00 O ATOM 890 OE2 GLU A 57 16.306 0.971 -1.999 1.00 0.00 O ATOM 0 H GLU A 57 11.629 0.214 -1.463 1.00 0.00 H new ATOM 0 HA GLU A 57 12.787 2.422 0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.207 0.773 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.879 -0.236 0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.696 -1.343 -0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.199 -0.300 -2.010 1.00 0.00 H new ATOM 897 N LYS A 58 13.736 1.833 -2.944 1.00 0.00 N ATOM 898 CA LYS A 58 14.540 2.332 -4.067 1.00 0.00 C ATOM 899 C LYS A 58 14.150 3.772 -4.378 1.00 0.00 C ATOM 900 O LYS A 58 14.998 4.625 -4.538 1.00 0.00 O ATOM 901 CB LYS A 58 14.261 1.440 -5.303 1.00 0.00 C ATOM 902 CG LYS A 58 15.421 1.588 -6.318 1.00 0.00 C ATOM 903 CD LYS A 58 16.565 0.613 -5.949 1.00 0.00 C ATOM 904 CE LYS A 58 17.887 1.120 -6.543 1.00 0.00 C ATOM 905 NZ LYS A 58 17.674 1.659 -7.915 1.00 0.00 N ATOM 0 H LYS A 58 13.055 1.114 -3.190 1.00 0.00 H new ATOM 0 HA LYS A 58 15.599 2.300 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.161 0.398 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.318 1.728 -5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.064 1.379 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.790 2.614 -6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.650 0.530 -4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.343 -0.384 -6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.305 1.896 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.613 0.307 -6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.574 1.648 -8.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.978 1.070 -8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.321 2.635 -7.854 1.00 0.00 H new ATOM 919 N LYS A 59 12.866 4.020 -4.467 1.00 0.00 N ATOM 920 CA LYS A 59 12.428 5.389 -4.760 1.00 0.00 C ATOM 921 C LYS A 59 12.847 6.279 -3.628 1.00 0.00 C ATOM 922 O LYS A 59 13.363 7.355 -3.828 1.00 0.00 O ATOM 923 CB LYS A 59 10.890 5.402 -4.885 1.00 0.00 C ATOM 924 CG LYS A 59 10.468 6.645 -5.682 1.00 0.00 C ATOM 925 CD LYS A 59 8.957 6.604 -5.939 1.00 0.00 C ATOM 926 CE LYS A 59 8.605 7.600 -7.055 1.00 0.00 C ATOM 927 NZ LYS A 59 7.151 7.909 -7.037 1.00 0.00 N ATOM 0 H LYS A 59 12.122 3.332 -4.349 1.00 0.00 H new ATOM 0 HA LYS A 59 12.874 5.742 -5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.545 4.498 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.431 5.414 -3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.729 7.548 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.007 6.683 -6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.652 5.597 -6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.414 6.855 -5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.179 8.517 -6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.882 7.183 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.930 8.583 -7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.608 7.034 -7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.896 8.326 -6.119 1.00 0.00 H new ATOM 941 N ALA A 60 12.608 5.815 -2.449 1.00 0.00 N ATOM 942 CA ALA A 60 12.985 6.612 -1.287 1.00 0.00 C ATOM 943 C ALA A 60 14.482 6.876 -1.325 1.00 0.00 C ATOM 944 O ALA A 60 14.937 7.924 -0.953 1.00 0.00 O ATOM 945 CB ALA A 60 12.651 5.816 -0.015 1.00 0.00 C ATOM 0 H ALA A 60 12.168 4.918 -2.246 1.00 0.00 H new ATOM 0 HA ALA A 60 12.444 7.558 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.928 6.400 0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.582 5.605 0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 60 13.206 4.878 -0.017 1.00 0.00 H new