USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=12 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= -0.048 USER MOD Single : A 18 CYS SG : rot 180:sc= -2.57 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 144:sc= -1.65! (180deg=-3.99!) USER MOD Single : A 29 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.0043) 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+ 169:sc= 0 (180deg=-0.0848) USER MOD Single : A 44 MET CE :methyl -165:sc= -0.373 (180deg=-1.52) USER MOD Single : A 46 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.38) USER MOD Single : A 47 ASN : amide:sc= -2.23! C(o=-2.2!,f=-3.3!) USER MOD Single : A 48 THR OG1 : rot 15:sc= 0.293 USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0769) USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.299 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 5.717 8.011 4.220 1.00 0.00 N ATOM 184 CA SER A 12 6.158 6.721 4.850 1.00 0.00 C ATOM 185 C SER A 12 6.467 5.681 3.770 1.00 0.00 C ATOM 186 O SER A 12 6.230 5.914 2.609 1.00 0.00 O ATOM 187 CB SER A 12 5.016 6.196 5.743 1.00 0.00 C ATOM 188 OG SER A 12 5.651 5.267 6.613 1.00 0.00 O ATOM 0 HA SER A 12 7.058 6.895 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.543 7.004 6.301 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.236 5.718 5.151 1.00 0.00 H new ATOM 0 HG SER A 12 4.987 4.883 7.223 1.00 0.00 H new ATOM 194 N ALA A 13 6.979 4.547 4.174 1.00 0.00 N ATOM 195 CA ALA A 13 7.303 3.503 3.176 1.00 0.00 C ATOM 196 C ALA A 13 6.072 2.981 2.498 1.00 0.00 C ATOM 197 O ALA A 13 5.910 3.107 1.300 1.00 0.00 O ATOM 198 CB ALA A 13 7.981 2.319 3.893 1.00 0.00 C ATOM 0 H ALA A 13 7.183 4.307 5.144 1.00 0.00 H new ATOM 0 HA ALA A 13 7.957 3.951 2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.224 1.544 3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.896 2.662 4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.304 1.912 4.644 1.00 0.00 H new ATOM 204 N PHE A 14 5.223 2.404 3.272 1.00 0.00 N ATOM 205 CA PHE A 14 3.984 1.852 2.702 1.00 0.00 C ATOM 206 C PHE A 14 3.058 2.954 2.169 1.00 0.00 C ATOM 207 O PHE A 14 2.051 2.673 1.560 1.00 0.00 O ATOM 208 CB PHE A 14 3.305 0.967 3.806 1.00 0.00 C ATOM 209 CG PHE A 14 1.855 1.363 4.105 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.552 2.636 4.520 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.842 0.428 3.995 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.250 2.982 4.821 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.455 0.768 4.295 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.754 2.046 4.709 1.00 0.00 C ATOM 0 H PHE A 14 5.332 2.289 4.280 1.00 0.00 H new ATOM 0 HA PHE A 14 4.210 1.234 1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.330 -0.076 3.490 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.888 1.036 4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.337 3.372 4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.072 -0.576 3.671 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.019 3.986 5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.240 0.032 4.206 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.773 2.314 4.945 1.00 0.00 H new ATOM 224 N PHE A 15 3.371 4.186 2.433 1.00 0.00 N ATOM 225 CA PHE A 15 2.475 5.236 1.907 1.00 0.00 C ATOM 226 C PHE A 15 2.671 5.271 0.424 1.00 0.00 C ATOM 227 O PHE A 15 1.769 5.572 -0.332 1.00 0.00 O ATOM 228 CB PHE A 15 2.844 6.597 2.482 1.00 0.00 C ATOM 229 CG PHE A 15 1.843 7.606 1.934 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.586 7.713 2.494 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.160 8.386 0.840 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.339 8.585 1.965 1.00 0.00 C ATOM 233 CE2 PHE A 15 1.233 9.260 0.313 1.00 0.00 C ATOM 234 CZ PHE A 15 -0.016 9.360 0.876 1.00 0.00 C ATOM 0 H PHE A 15 4.178 4.502 2.970 1.00 0.00 H new ATOM 0 HA PHE A 15 1.442 5.019 2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.811 6.576 3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.860 6.871 2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.327 7.110 3.351 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.141 8.311 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.322 8.661 2.407 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.489 9.866 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.742 10.045 0.465 1.00 0.00 H new ATOM 244 N LEU A 16 3.871 4.963 0.037 1.00 0.00 N ATOM 245 CA LEU A 16 4.198 4.953 -1.385 1.00 0.00 C ATOM 246 C LEU A 16 3.522 3.758 -2.001 1.00 0.00 C ATOM 247 O LEU A 16 3.191 3.745 -3.168 1.00 0.00 O ATOM 248 CB LEU A 16 5.719 4.778 -1.534 1.00 0.00 C ATOM 249 CG LEU A 16 6.459 5.825 -0.700 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.945 5.447 -0.648 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.297 7.208 -1.341 1.00 0.00 C ATOM 0 H LEU A 16 4.639 4.717 0.661 1.00 0.00 H new ATOM 0 HA LEU A 16 3.875 5.877 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.010 3.777 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.002 4.873 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 16 6.048 5.856 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.488 6.184 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.054 4.463 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.350 5.424 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.826 7.950 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.711 7.192 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.239 7.466 -1.387 1.00 0.00 H new ATOM 263 N PHE A 17 3.326 2.767 -1.177 1.00 0.00 N ATOM 264 CA PHE A 17 2.677 1.542 -1.644 1.00 0.00 C ATOM 265 C PHE A 17 1.198 1.823 -1.832 1.00 0.00 C ATOM 266 O PHE A 17 0.574 1.332 -2.745 1.00 0.00 O ATOM 267 CB PHE A 17 2.907 0.493 -0.557 1.00 0.00 C ATOM 268 CG PHE A 17 2.112 -0.757 -0.810 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.820 -0.853 -0.343 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.706 -1.855 -1.394 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.132 -2.033 -0.447 1.00 0.00 C ATOM 272 CE2 PHE A 17 2.012 -3.036 -1.500 1.00 0.00 C ATOM 273 CZ PHE A 17 0.726 -3.121 -1.021 1.00 0.00 C ATOM 0 H PHE A 17 3.595 2.767 -0.193 1.00 0.00 H new ATOM 0 HA PHE A 17 3.076 1.189 -2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.968 0.246 -0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.632 0.908 0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.347 0.007 0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.717 -1.787 -1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.880 -2.103 -0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.476 -3.896 -1.959 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.183 -4.052 -1.099 1.00 0.00 H new ATOM 283 N CYS A 18 0.658 2.612 -0.943 1.00 0.00 N ATOM 284 CA CYS A 18 -0.771 2.950 -1.046 1.00 0.00 C ATOM 285 C CYS A 18 -1.087 3.455 -2.452 1.00 0.00 C ATOM 286 O CYS A 18 -1.929 2.921 -3.132 1.00 0.00 O ATOM 287 CB CYS A 18 -1.074 4.091 -0.042 1.00 0.00 C ATOM 288 SG CYS A 18 -2.801 4.609 0.125 1.00 0.00 S ATOM 0 H CYS A 18 1.152 3.031 -0.155 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.371 2.066 -0.832 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.718 3.780 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.487 4.962 -0.333 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.884 5.566 1.001 1.00 0.00 H new ATOM 294 N SER A 19 -0.372 4.465 -2.858 1.00 0.00 N ATOM 295 CA SER A 19 -0.592 5.044 -4.205 1.00 0.00 C ATOM 296 C SER A 19 -0.586 3.974 -5.301 1.00 0.00 C ATOM 297 O SER A 19 -0.966 4.242 -6.424 1.00 0.00 O ATOM 298 CB SER A 19 0.550 6.045 -4.481 1.00 0.00 C ATOM 299 OG SER A 19 0.001 6.942 -5.432 1.00 0.00 O ATOM 0 H SER A 19 0.360 4.915 -2.309 1.00 0.00 H new ATOM 0 HA SER A 19 -1.569 5.527 -4.221 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.853 6.564 -3.572 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.435 5.542 -4.871 1.00 0.00 H new ATOM 0 HG SER A 19 0.668 7.621 -5.665 1.00 0.00 H new ATOM 305 N GLU A 20 -0.155 2.783 -4.956 1.00 0.00 N ATOM 306 CA GLU A 20 -0.114 1.678 -5.969 1.00 0.00 C ATOM 307 C GLU A 20 -1.234 0.658 -5.749 1.00 0.00 C ATOM 308 O GLU A 20 -1.932 0.305 -6.674 1.00 0.00 O ATOM 309 CB GLU A 20 1.255 0.956 -5.837 1.00 0.00 C ATOM 310 CG GLU A 20 1.257 -0.344 -6.665 1.00 0.00 C ATOM 311 CD GLU A 20 0.720 -0.067 -8.077 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.398 0.666 -8.780 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.335 -0.605 -8.371 1.00 0.00 O ATOM 0 H GLU A 20 0.168 2.529 -4.023 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.248 2.110 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.055 1.613 -6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.454 0.728 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.268 -0.746 -6.724 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.642 -1.099 -6.174 1.00 0.00 H new ATOM 320 N TYR A 21 -1.370 0.189 -4.532 1.00 0.00 N ATOM 321 CA TYR A 21 -2.432 -0.810 -4.228 1.00 0.00 C ATOM 322 C TYR A 21 -3.747 -0.175 -3.793 1.00 0.00 C ATOM 323 O TYR A 21 -4.527 -0.794 -3.109 1.00 0.00 O ATOM 324 CB TYR A 21 -1.907 -1.700 -3.086 1.00 0.00 C ATOM 325 CG TYR A 21 -0.984 -2.764 -3.650 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.347 -2.493 -3.848 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.470 -4.015 -3.951 1.00 0.00 C ATOM 328 CE1 TYR A 21 1.192 -3.464 -4.344 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.631 -4.989 -4.447 1.00 0.00 C ATOM 330 CZ TYR A 21 0.708 -4.723 -4.647 1.00 0.00 C ATOM 331 OH TYR A 21 1.550 -5.698 -5.141 1.00 0.00 O ATOM 0 H TYR A 21 -0.789 0.458 -3.738 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.643 -1.373 -5.137 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.374 -1.093 -2.355 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.741 -2.168 -2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.735 -1.513 -3.614 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.516 -4.235 -3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.237 -3.239 -4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.024 -5.967 -4.681 1.00 0.00 H new ATOM 0 HH TYR A 21 1.041 -6.521 -5.297 1.00 0.00 H new ATOM 341 N ARG A 22 -3.977 1.031 -4.175 1.00 0.00 N ATOM 342 CA ARG A 22 -5.263 1.675 -3.765 1.00 0.00 C ATOM 343 C ARG A 22 -6.440 1.286 -4.703 1.00 0.00 C ATOM 344 O ARG A 22 -7.555 1.143 -4.246 1.00 0.00 O ATOM 345 CB ARG A 22 -5.113 3.222 -3.755 1.00 0.00 C ATOM 346 CG ARG A 22 -6.195 3.822 -2.831 1.00 0.00 C ATOM 347 CD ARG A 22 -6.367 5.310 -3.153 1.00 0.00 C ATOM 348 NE ARG A 22 -5.021 5.929 -3.333 1.00 0.00 N ATOM 349 CZ ARG A 22 -4.931 7.116 -3.872 1.00 0.00 C ATOM 350 NH1 ARG A 22 -6.025 7.724 -4.234 1.00 0.00 N ATOM 351 NH2 ARG A 22 -3.750 7.648 -4.037 1.00 0.00 N ATOM 0 H ARG A 22 -3.353 1.603 -4.743 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.492 1.313 -2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.120 3.502 -3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.218 3.618 -4.765 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.140 3.297 -2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.909 3.695 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.961 5.433 -4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.906 5.809 -2.348 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.181 5.431 -3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.929 7.273 -4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.977 8.651 -4.657 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.916 7.138 -3.747 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.662 8.574 -4.456 1.00 0.00 H new ATOM 365 N PRO A 23 -6.172 1.116 -6.013 1.00 0.00 N ATOM 366 CA PRO A 23 -7.231 0.750 -6.960 1.00 0.00 C ATOM 367 C PRO A 23 -7.541 -0.760 -6.913 1.00 0.00 C ATOM 368 O PRO A 23 -8.679 -1.163 -7.047 1.00 0.00 O ATOM 369 CB PRO A 23 -6.643 1.127 -8.360 1.00 0.00 C ATOM 370 CG PRO A 23 -5.116 1.423 -8.146 1.00 0.00 C ATOM 371 CD PRO A 23 -4.843 1.297 -6.623 1.00 0.00 C ATOM 0 HA PRO A 23 -8.167 1.260 -6.732 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.783 0.312 -9.070 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.152 1.999 -8.771 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.503 0.718 -8.708 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.862 2.421 -8.503 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.191 0.451 -6.407 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.348 2.188 -6.235 1.00 0.00 H new ATOM 379 N LYS A 24 -6.520 -1.562 -6.727 1.00 0.00 N ATOM 380 CA LYS A 24 -6.747 -3.023 -6.674 1.00 0.00 C ATOM 381 C LYS A 24 -7.854 -3.351 -5.698 1.00 0.00 C ATOM 382 O LYS A 24 -8.759 -4.100 -6.005 1.00 0.00 O ATOM 383 CB LYS A 24 -5.449 -3.706 -6.200 1.00 0.00 C ATOM 384 CG LYS A 24 -4.359 -3.564 -7.281 1.00 0.00 C ATOM 385 CD LYS A 24 -4.665 -4.493 -8.481 1.00 0.00 C ATOM 386 CE LYS A 24 -3.374 -4.733 -9.277 1.00 0.00 C ATOM 387 NZ LYS A 24 -3.686 -5.283 -10.627 1.00 0.00 N ATOM 0 H LYS A 24 -5.552 -1.263 -6.612 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.031 -3.377 -7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.110 -3.255 -5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.636 -4.760 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.305 -2.529 -7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.385 -3.813 -6.859 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.070 -5.441 -8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.423 -4.042 -9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.823 -3.798 -9.378 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.730 -5.426 -8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.801 -5.439 -11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.192 -6.186 -10.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.282 -4.608 -11.147 1.00 0.00 H new ATOM 401 N ILE A 25 -7.760 -2.784 -4.534 1.00 0.00 N ATOM 402 CA ILE A 25 -8.791 -3.037 -3.507 1.00 0.00 C ATOM 403 C ILE A 25 -9.996 -2.121 -3.718 1.00 0.00 C ATOM 404 O ILE A 25 -11.089 -2.586 -3.969 1.00 0.00 O ATOM 405 CB ILE A 25 -8.166 -2.769 -2.101 1.00 0.00 C ATOM 406 CG1 ILE A 25 -6.950 -1.833 -2.230 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.695 -4.121 -1.497 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.646 -1.173 -0.876 1.00 0.00 C ATOM 0 H ILE A 25 -7.009 -2.154 -4.251 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.131 -4.070 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.913 -2.301 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.082 -2.397 -2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.148 -1.068 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.256 -3.947 -0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.548 -4.793 -1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.950 -4.572 -2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.784 -0.513 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.510 -0.594 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.427 -1.943 -0.137 1.00 0.00 H new ATOM 420 N LYS A 26 -9.783 -0.830 -3.622 1.00 0.00 N ATOM 421 CA LYS A 26 -10.919 0.097 -3.818 1.00 0.00 C ATOM 422 C LYS A 26 -11.645 -0.265 -5.101 1.00 0.00 C ATOM 423 O LYS A 26 -12.818 0.010 -5.262 1.00 0.00 O ATOM 424 CB LYS A 26 -10.371 1.546 -3.913 1.00 0.00 C ATOM 425 CG LYS A 26 -11.548 2.558 -3.948 1.00 0.00 C ATOM 426 CD LYS A 26 -12.079 2.803 -2.520 1.00 0.00 C ATOM 427 CE LYS A 26 -13.096 3.954 -2.548 1.00 0.00 C ATOM 428 NZ LYS A 26 -14.107 3.742 -3.624 1.00 0.00 N ATOM 0 H LYS A 26 -8.884 -0.393 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.614 0.023 -2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.725 1.756 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.760 1.655 -4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.216 3.499 -4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.348 2.175 -4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.547 1.898 -2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.255 3.047 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.596 4.027 -1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.578 4.899 -2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.034 4.084 -3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.822 4.266 -4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.170 2.728 -3.846 1.00 0.00 H new ATOM 442 N GLY A 27 -10.932 -0.905 -5.985 1.00 0.00 N ATOM 443 CA GLY A 27 -11.547 -1.303 -7.266 1.00 0.00 C ATOM 444 C GLY A 27 -12.678 -2.275 -6.987 1.00 0.00 C ATOM 445 O GLY A 27 -13.827 -2.010 -7.291 1.00 0.00 O ATOM 0 H GLY A 27 -9.953 -1.166 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.925 -0.426 -7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.803 -1.766 -7.914 1.00 0.00 H new ATOM 449 N GLU A 28 -12.325 -3.386 -6.410 1.00 0.00 N ATOM 450 CA GLU A 28 -13.336 -4.393 -6.091 1.00 0.00 C ATOM 451 C GLU A 28 -14.171 -3.907 -4.912 1.00 0.00 C ATOM 452 O GLU A 28 -15.116 -4.549 -4.499 1.00 0.00 O ATOM 453 CB GLU A 28 -12.600 -5.705 -5.707 1.00 0.00 C ATOM 454 CG GLU A 28 -12.394 -6.567 -6.961 1.00 0.00 C ATOM 455 CD GLU A 28 -11.706 -7.878 -6.574 1.00 0.00 C ATOM 456 OE1 GLU A 28 -11.211 -7.922 -5.459 1.00 0.00 O ATOM 457 OE2 GLU A 28 -11.714 -8.763 -7.415 1.00 0.00 O ATOM 0 H GLU A 28 -11.370 -3.630 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.992 -4.566 -6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.638 -5.474 -5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.180 -6.256 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.354 -6.774 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.789 -6.028 -7.690 1.00 0.00 H new ATOM 464 N HIS A 29 -13.786 -2.765 -4.394 1.00 0.00 N ATOM 465 CA HIS A 29 -14.506 -2.168 -3.241 1.00 0.00 C ATOM 466 C HIS A 29 -14.722 -0.669 -3.482 1.00 0.00 C ATOM 467 O HIS A 29 -14.012 0.152 -2.937 1.00 0.00 O ATOM 468 CB HIS A 29 -13.608 -2.328 -2.015 1.00 0.00 C ATOM 469 CG HIS A 29 -13.577 -3.796 -1.595 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.249 -4.284 -0.666 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.841 -4.846 -2.109 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.029 -5.522 -0.531 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.139 -5.979 -1.415 1.00 0.00 N ATOM 0 H HIS A 29 -12.992 -2.220 -4.730 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.471 -2.656 -3.105 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.600 -1.982 -2.242 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -13.979 -1.712 -1.196 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.142 -4.779 -2.929 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.507 -6.140 0.215 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.778 -6.925 -1.538 1.00 0.00 H new ATOM 481 N PRO A 30 -15.698 -0.335 -4.322 1.00 0.00 N ATOM 482 CA PRO A 30 -15.991 1.067 -4.630 1.00 0.00 C ATOM 483 C PRO A 30 -16.636 1.796 -3.427 1.00 0.00 C ATOM 484 O PRO A 30 -17.714 2.346 -3.529 1.00 0.00 O ATOM 485 CB PRO A 30 -16.981 1.002 -5.850 1.00 0.00 C ATOM 486 CG PRO A 30 -17.347 -0.508 -6.067 1.00 0.00 C ATOM 487 CD PRO A 30 -16.534 -1.327 -5.032 1.00 0.00 C ATOM 0 HA PRO A 30 -15.086 1.631 -4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.877 1.591 -5.651 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.518 1.419 -6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.416 -0.669 -5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.104 -0.821 -7.082 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.193 -1.853 -4.341 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.919 -2.081 -5.523 1.00 0.00 H new ATOM 495 N GLY A 31 -15.958 1.793 -2.308 1.00 0.00 N ATOM 496 CA GLY A 31 -16.536 2.483 -1.123 1.00 0.00 C ATOM 497 C GLY A 31 -15.770 2.145 0.163 1.00 0.00 C ATOM 498 O GLY A 31 -16.372 1.849 1.176 1.00 0.00 O ATOM 0 H GLY A 31 -15.049 1.352 -2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.517 3.561 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.581 2.196 -1.009 1.00 0.00 H new ATOM 502 N LEU A 32 -14.461 2.189 0.108 1.00 0.00 N ATOM 503 CA LEU A 32 -13.677 1.871 1.340 1.00 0.00 C ATOM 504 C LEU A 32 -13.598 3.081 2.248 1.00 0.00 C ATOM 505 O LEU A 32 -13.761 4.204 1.818 1.00 0.00 O ATOM 506 CB LEU A 32 -12.206 1.521 0.957 1.00 0.00 C ATOM 507 CG LEU A 32 -12.063 0.114 0.346 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.561 -0.219 0.294 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.759 -0.938 1.226 1.00 0.00 C ATOM 0 H LEU A 32 -13.912 2.426 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.175 1.039 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.836 2.259 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.578 1.591 1.845 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.519 0.100 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.423 -1.212 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.046 0.517 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.149 -0.199 1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.645 -1.923 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.307 -0.939 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.819 -0.698 1.310 1.00 0.00 H new ATOM 521 N SER A 33 -13.354 2.814 3.499 1.00 0.00 N ATOM 522 CA SER A 33 -13.246 3.899 4.482 1.00 0.00 C ATOM 523 C SER A 33 -11.782 4.274 4.609 1.00 0.00 C ATOM 524 O SER A 33 -10.923 3.421 4.513 1.00 0.00 O ATOM 525 CB SER A 33 -13.747 3.381 5.837 1.00 0.00 C ATOM 526 OG SER A 33 -14.948 2.690 5.520 1.00 0.00 O ATOM 0 H SER A 33 -13.225 1.875 3.877 1.00 0.00 H new ATOM 0 HA SER A 33 -13.835 4.763 4.173 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.018 2.720 6.305 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.929 4.199 6.534 1.00 0.00 H new ATOM 0 HG SER A 33 -15.339 2.321 6.339 1.00 0.00 H new ATOM 532 N ILE A 34 -11.501 5.524 4.820 1.00 0.00 N ATOM 533 CA ILE A 34 -10.075 5.919 4.947 1.00 0.00 C ATOM 534 C ILE A 34 -9.347 4.984 5.886 1.00 0.00 C ATOM 535 O ILE A 34 -8.159 4.763 5.753 1.00 0.00 O ATOM 536 CB ILE A 34 -9.996 7.343 5.517 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.916 8.315 4.733 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.525 7.838 5.440 1.00 0.00 C ATOM 539 CD1 ILE A 34 -10.414 8.526 3.286 1.00 0.00 C ATOM 0 H ILE A 34 -12.182 6.278 4.909 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.611 5.873 3.962 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.334 7.323 6.553 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.932 7.920 4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.957 9.274 5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.460 8.849 5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.887 7.173 6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.196 7.840 4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.082 9.212 2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.408 8.945 3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.398 7.570 2.763 1.00 0.00 H new ATOM 551 N GLY A 35 -10.068 4.453 6.820 1.00 0.00 N ATOM 552 CA GLY A 35 -9.433 3.527 7.775 1.00 0.00 C ATOM 553 C GLY A 35 -9.133 2.199 7.084 1.00 0.00 C ATOM 554 O GLY A 35 -8.061 1.661 7.222 1.00 0.00 O ATOM 0 H GLY A 35 -11.064 4.620 6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.512 3.963 8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.090 3.363 8.629 1.00 0.00 H new ATOM 558 N ASP A 36 -10.089 1.715 6.327 1.00 0.00 N ATOM 559 CA ASP A 36 -9.894 0.425 5.612 1.00 0.00 C ATOM 560 C ASP A 36 -8.835 0.523 4.542 1.00 0.00 C ATOM 561 O ASP A 36 -7.990 -0.336 4.415 1.00 0.00 O ATOM 562 CB ASP A 36 -11.229 0.053 4.929 1.00 0.00 C ATOM 563 CG ASP A 36 -11.320 -1.469 4.762 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.435 -1.996 4.111 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.272 -2.016 5.297 1.00 0.00 O ATOM 0 H ASP A 36 -10.994 2.161 6.177 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.577 -0.323 6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.067 0.413 5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.299 0.540 3.956 1.00 0.00 H new ATOM 570 N VAL A 37 -8.900 1.563 3.791 1.00 0.00 N ATOM 571 CA VAL A 37 -7.913 1.733 2.724 1.00 0.00 C ATOM 572 C VAL A 37 -6.513 1.586 3.272 1.00 0.00 C ATOM 573 O VAL A 37 -5.776 0.711 2.885 1.00 0.00 O ATOM 574 CB VAL A 37 -8.070 3.158 2.149 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.979 3.395 1.106 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.450 3.297 1.504 1.00 0.00 C ATOM 0 H VAL A 37 -9.596 2.304 3.871 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.074 0.976 1.956 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.976 3.895 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.081 4.399 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.000 3.293 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.076 2.662 0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.562 4.302 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.551 2.568 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.221 3.120 2.254 1.00 0.00 H new ATOM 586 N ALA A 38 -6.200 2.424 4.182 1.00 0.00 N ATOM 587 CA ALA A 38 -4.868 2.384 4.787 1.00 0.00 C ATOM 588 C ALA A 38 -4.605 1.088 5.577 1.00 0.00 C ATOM 589 O ALA A 38 -3.496 0.589 5.569 1.00 0.00 O ATOM 590 CB ALA A 38 -4.760 3.592 5.701 1.00 0.00 C ATOM 0 H ALA A 38 -6.819 3.150 4.542 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.116 2.405 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.779 3.603 6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.891 4.503 5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.533 3.539 6.468 1.00 0.00 H new ATOM 596 N LYS A 39 -5.611 0.554 6.246 1.00 0.00 N ATOM 597 CA LYS A 39 -5.361 -0.702 7.012 1.00 0.00 C ATOM 598 C LYS A 39 -5.176 -1.871 6.054 1.00 0.00 C ATOM 599 O LYS A 39 -4.161 -2.538 6.071 1.00 0.00 O ATOM 600 CB LYS A 39 -6.572 -0.993 7.971 1.00 0.00 C ATOM 601 CG LYS A 39 -6.252 -0.478 9.393 1.00 0.00 C ATOM 602 CD LYS A 39 -6.201 1.059 9.390 1.00 0.00 C ATOM 603 CE LYS A 39 -5.433 1.544 10.630 1.00 0.00 C ATOM 604 NZ LYS A 39 -5.343 3.031 10.643 1.00 0.00 N ATOM 0 H LYS A 39 -6.560 0.924 6.290 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.454 -0.578 7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.472 -0.507 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.776 -2.063 8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.011 -0.825 10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.297 -0.882 9.730 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.713 1.416 8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.211 1.468 9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.934 1.197 11.534 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.432 1.114 10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.821 3.340 11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.845 3.356 9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.300 3.437 10.660 1.00 0.00 H new ATOM 618 N LYS A 40 -6.163 -2.099 5.240 1.00 0.00 N ATOM 619 CA LYS A 40 -6.065 -3.216 4.274 1.00 0.00 C ATOM 620 C LYS A 40 -4.767 -3.106 3.504 1.00 0.00 C ATOM 621 O LYS A 40 -4.135 -4.091 3.197 1.00 0.00 O ATOM 622 CB LYS A 40 -7.244 -3.130 3.291 1.00 0.00 C ATOM 623 CG LYS A 40 -7.320 -4.433 2.466 1.00 0.00 C ATOM 624 CD LYS A 40 -8.722 -4.574 1.864 1.00 0.00 C ATOM 625 CE LYS A 40 -8.801 -5.891 1.079 1.00 0.00 C ATOM 626 NZ LYS A 40 -8.880 -7.049 2.008 1.00 0.00 N ATOM 0 H LYS A 40 -7.029 -1.562 5.203 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.092 -4.166 4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.176 -2.977 3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.118 -2.274 2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.572 -4.419 1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.097 -5.291 3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.473 -4.561 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.936 -3.731 1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.675 -5.880 0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.926 -5.991 0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.119 -7.908 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.962 -7.179 2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.614 -6.871 2.723 1.00 0.00 H new ATOM 640 N LEU A 41 -4.399 -1.910 3.175 1.00 0.00 N ATOM 641 CA LEU A 41 -3.145 -1.751 2.433 1.00 0.00 C ATOM 642 C LEU A 41 -2.031 -2.252 3.302 1.00 0.00 C ATOM 643 O LEU A 41 -1.046 -2.790 2.832 1.00 0.00 O ATOM 644 CB LEU A 41 -2.897 -0.248 2.149 1.00 0.00 C ATOM 645 CG LEU A 41 -3.708 0.211 0.933 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.701 1.740 0.910 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.052 -0.315 -0.367 1.00 0.00 C ATOM 0 H LEU A 41 -4.907 -1.051 3.386 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.195 -2.300 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.174 0.343 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.835 -0.076 1.971 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.726 -0.172 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.273 2.094 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.151 2.120 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.674 2.098 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.634 0.015 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.037 0.073 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.023 -1.404 -0.345 1.00 0.00 H new ATOM 659 N GLY A 42 -2.216 -2.061 4.567 1.00 0.00 N ATOM 660 CA GLY A 42 -1.206 -2.500 5.522 1.00 0.00 C ATOM 661 C GLY A 42 -1.122 -4.028 5.517 1.00 0.00 C ATOM 662 O GLY A 42 -0.056 -4.599 5.642 1.00 0.00 O ATOM 0 H GLY A 42 -3.036 -1.613 4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.237 -2.072 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.457 -2.143 6.521 1.00 0.00 H new ATOM 666 N GLU A 43 -2.265 -4.657 5.367 1.00 0.00 N ATOM 667 CA GLU A 43 -2.295 -6.125 5.349 1.00 0.00 C ATOM 668 C GLU A 43 -1.510 -6.650 4.148 1.00 0.00 C ATOM 669 O GLU A 43 -0.679 -7.525 4.283 1.00 0.00 O ATOM 670 CB GLU A 43 -3.770 -6.562 5.245 1.00 0.00 C ATOM 671 CG GLU A 43 -4.423 -6.453 6.633 1.00 0.00 C ATOM 672 CD GLU A 43 -3.863 -7.546 7.547 1.00 0.00 C ATOM 673 OE1 GLU A 43 -3.554 -8.595 7.009 1.00 0.00 O ATOM 674 OE2 GLU A 43 -3.779 -7.268 8.733 1.00 0.00 O ATOM 0 H GLU A 43 -3.171 -4.202 5.257 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.840 -6.526 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.299 -5.933 4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.834 -7.586 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.229 -5.470 7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.505 -6.555 6.547 1.00 0.00 H new ATOM 681 N MET A 44 -1.788 -6.104 2.990 1.00 0.00 N ATOM 682 CA MET A 44 -1.061 -6.562 1.781 1.00 0.00 C ATOM 683 C MET A 44 0.402 -6.190 1.891 1.00 0.00 C ATOM 684 O MET A 44 1.274 -6.992 1.638 1.00 0.00 O ATOM 685 CB MET A 44 -1.675 -5.864 0.552 1.00 0.00 C ATOM 686 CG MET A 44 -2.954 -6.600 0.167 1.00 0.00 C ATOM 687 SD MET A 44 -3.968 -5.886 -1.140 1.00 0.00 S ATOM 688 CE MET A 44 -4.191 -4.278 -0.363 1.00 0.00 C ATOM 0 H MET A 44 -2.479 -5.370 2.837 1.00 0.00 H new ATOM 0 HA MET A 44 -1.145 -7.644 1.684 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.892 -4.820 0.778 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.970 -5.870 -0.279 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.681 -7.611 -0.134 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.572 -6.689 1.060 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.004 -3.745 -0.857 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.433 -4.414 0.691 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.271 -3.700 -0.452 1.00 0.00 H new ATOM 698 N TRP A 45 0.641 -4.972 2.260 1.00 0.00 N ATOM 699 CA TRP A 45 2.035 -4.511 2.401 1.00 0.00 C ATOM 700 C TRP A 45 2.779 -5.459 3.299 1.00 0.00 C ATOM 701 O TRP A 45 3.745 -6.074 2.913 1.00 0.00 O ATOM 702 CB TRP A 45 1.979 -3.132 3.058 1.00 0.00 C ATOM 703 CG TRP A 45 3.344 -2.704 3.591 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.635 -2.608 4.871 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.315 -2.242 2.855 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.842 -2.045 4.885 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.352 -1.774 3.630 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.368 -2.127 1.496 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.440 -1.183 3.032 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.454 -1.538 0.893 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.487 -1.063 1.663 1.00 0.00 C ATOM 0 H TRP A 45 -0.073 -4.274 2.470 1.00 0.00 H new ATOM 0 HA TRP A 45 2.539 -4.468 1.436 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.625 -2.398 2.334 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.258 -3.147 3.875 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.034 -2.915 5.715 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.345 -1.833 5.746 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.554 -2.500 0.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.256 -0.814 3.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.495 -1.449 -0.183 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.338 -0.594 1.192 1.00 0.00 H new ATOM 722 N ASN A 46 2.309 -5.553 4.490 1.00 0.00 N ATOM 723 CA ASN A 46 2.957 -6.457 5.459 1.00 0.00 C ATOM 724 C ASN A 46 3.170 -7.835 4.828 1.00 0.00 C ATOM 725 O ASN A 46 4.169 -8.482 5.055 1.00 0.00 O ATOM 726 CB ASN A 46 2.019 -6.608 6.674 1.00 0.00 C ATOM 727 CG ASN A 46 2.224 -5.431 7.629 1.00 0.00 C ATOM 728 OD1 ASN A 46 3.320 -5.169 8.081 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.197 -4.701 7.962 1.00 0.00 N ATOM 0 H ASN A 46 1.499 -5.042 4.842 1.00 0.00 H new ATOM 0 HA ASN A 46 3.922 -6.048 5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.981 -6.644 6.343 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.222 -7.547 7.189 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.316 -3.914 8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.274 -4.917 7.585 1.00 0.00 H new ATOM 736 N ASN A 47 2.209 -8.248 4.043 1.00 0.00 N ATOM 737 CA ASN A 47 2.306 -9.569 3.378 1.00 0.00 C ATOM 738 C ASN A 47 3.167 -9.499 2.122 1.00 0.00 C ATOM 739 O ASN A 47 3.650 -10.505 1.641 1.00 0.00 O ATOM 740 CB ASN A 47 0.890 -10.001 2.969 1.00 0.00 C ATOM 741 CG ASN A 47 0.012 -10.101 4.217 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.499 -10.142 5.330 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.286 -10.142 4.078 1.00 0.00 N ATOM 0 H ASN A 47 1.360 -7.721 3.837 1.00 0.00 H new ATOM 0 HA ASN A 47 2.762 -10.277 4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.466 -9.281 2.269 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.924 -10.962 2.457 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.885 -10.208 4.901 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.701 -10.108 3.147 1.00 0.00 H new ATOM 750 N THR A 48 3.343 -8.314 1.617 1.00 0.00 N ATOM 751 CA THR A 48 4.167 -8.158 0.394 1.00 0.00 C ATOM 752 C THR A 48 5.572 -8.702 0.610 1.00 0.00 C ATOM 753 O THR A 48 6.217 -8.394 1.591 1.00 0.00 O ATOM 754 CB THR A 48 4.250 -6.657 0.060 1.00 0.00 C ATOM 755 OG1 THR A 48 2.908 -6.238 -0.067 1.00 0.00 O ATOM 756 CG2 THR A 48 4.874 -6.405 -1.336 1.00 0.00 C ATOM 0 H THR A 48 2.954 -7.451 1.997 1.00 0.00 H new ATOM 0 HA THR A 48 3.708 -8.716 -0.422 1.00 0.00 H new ATOM 0 HB THR A 48 4.842 -6.150 0.822 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.315 -6.920 0.312 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.913 -5.333 -1.529 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.884 -6.815 -1.363 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.265 -6.890 -2.099 1.00 0.00 H new ATOM 764 N ALA A 49 6.018 -9.507 -0.312 1.00 0.00 N ATOM 765 CA ALA A 49 7.371 -10.086 -0.188 1.00 0.00 C ATOM 766 C ALA A 49 8.431 -8.994 -0.093 1.00 0.00 C ATOM 767 O ALA A 49 8.239 -7.892 -0.571 1.00 0.00 O ATOM 768 CB ALA A 49 7.645 -10.933 -1.440 1.00 0.00 C ATOM 0 H ALA A 49 5.499 -9.786 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 49 7.417 -10.689 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.640 -11.372 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.902 -11.727 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.587 -10.301 -2.326 1.00 0.00 H new ATOM 774 N ALA A 50 9.532 -9.321 0.530 1.00 0.00 N ATOM 775 CA ALA A 50 10.613 -8.326 0.669 1.00 0.00 C ATOM 776 C ALA A 50 11.110 -7.878 -0.712 1.00 0.00 C ATOM 777 O ALA A 50 11.273 -6.701 -0.966 1.00 0.00 O ATOM 778 CB ALA A 50 11.775 -8.990 1.466 1.00 0.00 C ATOM 0 H ALA A 50 9.721 -10.234 0.945 1.00 0.00 H new ATOM 0 HA ALA A 50 10.245 -7.445 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.590 -8.276 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.415 -9.295 2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.135 -9.865 0.924 1.00 0.00 H new ATOM 784 N ASP A 51 11.337 -8.829 -1.574 1.00 0.00 N ATOM 785 CA ASP A 51 11.818 -8.484 -2.930 1.00 0.00 C ATOM 786 C ASP A 51 10.928 -7.429 -3.571 1.00 0.00 C ATOM 787 O ASP A 51 11.356 -6.696 -4.439 1.00 0.00 O ATOM 788 CB ASP A 51 11.776 -9.753 -3.795 1.00 0.00 C ATOM 789 CG ASP A 51 12.922 -10.678 -3.394 1.00 0.00 C ATOM 790 OD1 ASP A 51 13.187 -10.725 -2.205 1.00 0.00 O ATOM 791 OD2 ASP A 51 13.467 -11.286 -4.299 1.00 0.00 O ATOM 0 H ASP A 51 11.209 -9.825 -1.395 1.00 0.00 H new ATOM 0 HA ASP A 51 12.831 -8.088 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.821 -10.262 -3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.858 -9.490 -4.850 1.00 0.00 H new ATOM 796 N ASP A 52 9.696 -7.376 -3.134 1.00 0.00 N ATOM 797 CA ASP A 52 8.750 -6.374 -3.706 1.00 0.00 C ATOM 798 C ASP A 52 8.780 -5.072 -2.903 1.00 0.00 C ATOM 799 O ASP A 52 8.358 -4.038 -3.382 1.00 0.00 O ATOM 800 CB ASP A 52 7.338 -6.971 -3.653 1.00 0.00 C ATOM 801 CG ASP A 52 6.312 -5.907 -4.069 1.00 0.00 C ATOM 802 OD1 ASP A 52 6.166 -4.968 -3.305 1.00 0.00 O ATOM 803 OD2 ASP A 52 5.735 -6.097 -5.128 1.00 0.00 O ATOM 0 H ASP A 52 9.307 -7.980 -2.410 1.00 0.00 H new ATOM 0 HA ASP A 52 9.040 -6.146 -4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.272 -7.833 -4.316 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.120 -7.326 -2.646 1.00 0.00 H new ATOM 808 N LYS A 53 9.271 -5.146 -1.689 1.00 0.00 N ATOM 809 CA LYS A 53 9.336 -3.919 -0.851 1.00 0.00 C ATOM 810 C LYS A 53 10.584 -3.119 -1.205 1.00 0.00 C ATOM 811 O LYS A 53 10.693 -1.951 -0.890 1.00 0.00 O ATOM 812 CB LYS A 53 9.428 -4.342 0.633 1.00 0.00 C ATOM 813 CG LYS A 53 8.041 -4.772 1.140 1.00 0.00 C ATOM 814 CD LYS A 53 8.050 -4.780 2.671 1.00 0.00 C ATOM 815 CE LYS A 53 6.703 -5.292 3.174 1.00 0.00 C ATOM 816 NZ LYS A 53 6.757 -5.543 4.642 1.00 0.00 N ATOM 0 H LYS A 53 9.625 -5.996 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 53 8.449 -3.310 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.136 -5.163 0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.804 -3.514 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.277 -4.088 0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.792 -5.763 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.855 -5.415 3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.237 -3.776 3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.924 -4.563 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.438 -6.211 2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.913 -6.076 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.610 -6.093 4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.785 -4.635 5.149 1.00 0.00 H new ATOM 830 N GLN A 54 11.502 -3.775 -1.860 1.00 0.00 N ATOM 831 CA GLN A 54 12.754 -3.104 -2.256 1.00 0.00 C ATOM 832 C GLN A 54 12.502 -1.763 -3.016 1.00 0.00 C ATOM 833 O GLN A 54 12.982 -0.733 -2.608 1.00 0.00 O ATOM 834 CB GLN A 54 13.562 -4.092 -3.148 1.00 0.00 C ATOM 835 CG GLN A 54 14.732 -4.692 -2.350 1.00 0.00 C ATOM 836 CD GLN A 54 15.568 -5.592 -3.266 1.00 0.00 C ATOM 837 OE1 GLN A 54 15.133 -6.792 -3.547 1.00 0.00 O flip ATOM 838 NE2 GLN A 54 16.622 -5.212 -3.734 1.00 0.00 N flip ATOM 0 H GLN A 54 11.430 -4.754 -2.136 1.00 0.00 H new ATOM 0 HA GLN A 54 13.312 -2.842 -1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.909 -4.889 -3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.941 -3.572 -4.028 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.353 -3.895 -1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.353 -5.267 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.968 -4.277 -3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.162 -5.828 -4.342 1.00 0.00 H new ATOM 847 N PRO A 55 11.765 -1.791 -4.118 1.00 0.00 N ATOM 848 CA PRO A 55 11.508 -0.560 -4.855 1.00 0.00 C ATOM 849 C PRO A 55 10.960 0.546 -3.964 1.00 0.00 C ATOM 850 O PRO A 55 11.405 1.665 -4.026 1.00 0.00 O ATOM 851 CB PRO A 55 10.439 -0.950 -5.925 1.00 0.00 C ATOM 852 CG PRO A 55 10.282 -2.505 -5.875 1.00 0.00 C ATOM 853 CD PRO A 55 11.158 -3.011 -4.702 1.00 0.00 C ATOM 0 HA PRO A 55 12.430 -0.170 -5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.488 -0.460 -5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.752 -0.626 -6.918 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.239 -2.783 -5.725 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.599 -2.955 -6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.559 -3.545 -3.964 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.924 -3.703 -5.052 1.00 0.00 H new ATOM 861 N TYR A 56 10.034 0.198 -3.142 1.00 0.00 N ATOM 862 CA TYR A 56 9.440 1.216 -2.243 1.00 0.00 C ATOM 863 C TYR A 56 10.430 1.739 -1.220 1.00 0.00 C ATOM 864 O TYR A 56 10.726 2.917 -1.197 1.00 0.00 O ATOM 865 CB TYR A 56 8.270 0.575 -1.509 1.00 0.00 C ATOM 866 CG TYR A 56 7.161 0.277 -2.509 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.417 1.299 -3.033 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.871 -1.016 -2.865 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.381 1.040 -3.905 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.838 -1.291 -3.738 1.00 0.00 C ATOM 871 CZ TYR A 56 5.082 -0.263 -4.268 1.00 0.00 C ATOM 872 OH TYR A 56 4.050 -0.529 -5.148 1.00 0.00 O ATOM 0 H TYR A 56 9.657 -0.745 -3.047 1.00 0.00 H new ATOM 0 HA TYR A 56 9.124 2.062 -2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.591 -0.344 -1.018 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.904 1.242 -0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.644 2.319 -2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.457 -1.827 -2.458 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.800 1.857 -4.307 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.620 -2.314 -4.008 1.00 0.00 H new ATOM 0 HH TYR A 56 3.983 -1.496 -5.291 1.00 0.00 H new ATOM 882 N GLU A 57 10.933 0.876 -0.391 1.00 0.00 N ATOM 883 CA GLU A 57 11.903 1.361 0.621 1.00 0.00 C ATOM 884 C GLU A 57 13.044 2.076 -0.069 1.00 0.00 C ATOM 885 O GLU A 57 13.479 3.133 0.346 1.00 0.00 O ATOM 886 CB GLU A 57 12.438 0.150 1.431 1.00 0.00 C ATOM 887 CG GLU A 57 13.452 -0.640 0.610 1.00 0.00 C ATOM 888 CD GLU A 57 13.755 -1.967 1.308 1.00 0.00 C ATOM 889 OE1 GLU A 57 13.207 -2.156 2.381 1.00 0.00 O ATOM 890 OE2 GLU A 57 14.521 -2.719 0.728 1.00 0.00 O ATOM 0 H GLU A 57 10.722 -0.122 -0.368 1.00 0.00 H new ATOM 0 HA GLU A 57 11.413 2.060 1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.902 0.499 2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.609 -0.498 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.060 -0.825 -0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.369 -0.062 0.492 1.00 0.00 H new ATOM 897 N LYS A 58 13.498 1.475 -1.108 1.00 0.00 N ATOM 898 CA LYS A 58 14.610 2.068 -1.876 1.00 0.00 C ATOM 899 C LYS A 58 14.207 3.430 -2.435 1.00 0.00 C ATOM 900 O LYS A 58 15.006 4.346 -2.475 1.00 0.00 O ATOM 901 CB LYS A 58 14.956 1.108 -3.045 1.00 0.00 C ATOM 902 CG LYS A 58 16.213 1.611 -3.791 1.00 0.00 C ATOM 903 CD LYS A 58 17.481 1.306 -2.966 1.00 0.00 C ATOM 904 CE LYS A 58 18.713 1.459 -3.866 1.00 0.00 C ATOM 905 NZ LYS A 58 19.948 1.584 -3.044 1.00 0.00 N ATOM 0 H LYS A 58 13.146 0.588 -1.467 1.00 0.00 H new ATOM 0 HA LYS A 58 15.473 2.207 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.129 0.103 -2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.115 1.045 -3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.282 1.131 -4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.135 2.684 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.549 1.985 -2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.433 0.295 -2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.796 0.597 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.601 2.339 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.772 1.687 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.873 2.420 -2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.062 0.733 -2.458 1.00 0.00 H new ATOM 919 N LYS A 59 12.975 3.543 -2.862 1.00 0.00 N ATOM 920 CA LYS A 59 12.522 4.838 -3.414 1.00 0.00 C ATOM 921 C LYS A 59 12.735 5.924 -2.396 1.00 0.00 C ATOM 922 O LYS A 59 13.320 6.945 -2.676 1.00 0.00 O ATOM 923 CB LYS A 59 11.012 4.751 -3.718 1.00 0.00 C ATOM 924 CG LYS A 59 10.594 5.963 -4.554 1.00 0.00 C ATOM 925 CD LYS A 59 9.080 5.919 -4.774 1.00 0.00 C ATOM 926 CE LYS A 59 8.705 6.907 -5.880 1.00 0.00 C ATOM 927 NZ LYS A 59 7.225 6.975 -6.038 1.00 0.00 N ATOM 0 H LYS A 59 12.277 2.800 -2.850 1.00 0.00 H new ATOM 0 HA LYS A 59 13.086 5.061 -4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.790 3.829 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.443 4.722 -2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.874 6.886 -4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.114 5.957 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.769 4.911 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.559 6.172 -3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.097 7.896 -5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.164 6.601 -6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.987 7.650 -6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.859 6.034 -6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.795 7.289 -5.145 1.00 0.00 H new ATOM 941 N ALA A 60 12.249 5.679 -1.229 1.00 0.00 N ATOM 942 CA ALA A 60 12.399 6.673 -0.155 1.00 0.00 C ATOM 943 C ALA A 60 13.851 7.135 -0.030 1.00 0.00 C ATOM 944 O ALA A 60 14.126 8.313 0.001 1.00 0.00 O ATOM 945 CB ALA A 60 11.974 6.022 1.168 1.00 0.00 C ATOM 0 H ALA A 60 11.751 4.828 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 60 11.779 7.539 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.078 6.743 1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.934 5.702 1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.607 5.158 1.368 1.00 0.00 H new