USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 29 ASN : amide:sc= -6.65! C(o=-6.7!,f=-7.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0809 X(o=-0.081,f=0) USER MOD Single : A 20 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.4) USER MOD Single : A 24 TYR OH : rot -70:sc= -1.49! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= -6.41! (180deg=-6.48!) USER MOD Single : A 39 GLN : amide:sc= -5.65! C(o=-5.6!,f=-8.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -157:sc= -7.1! (180deg=-9.49!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.146 F(o=-0.95,f=-0.15) USER MOD Single : A 59 ASN : amide:sc= -9.48! C(o=-9.5!,f=-18!) USER MOD Single : A 62 THR OG1 : rot 73:sc= -4.77! USER MOD Single : A 63 THR OG1 : rot -72:sc= 0.546 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -170:sc= -2.97 (180deg=-4.15!) USER MOD Single : A 83 SER OG : rot 110:sc= -1.91! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 88 LYS NZ :NH3+ 161:sc=-0.00254 (180deg=-0.156) USER MOD Single : A 92 SER OG : rot -129:sc= -0.988 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 156 N ALA A 12 -11.001 -2.172 6.354 1.00 0.00 N ATOM 157 CA ALA A 12 -9.892 -1.898 7.311 1.00 0.00 C ATOM 158 C ALA A 12 -8.567 -2.390 6.723 1.00 0.00 C ATOM 159 O ALA A 12 -7.522 -1.816 6.955 1.00 0.00 O ATOM 160 CB ALA A 12 -10.249 -2.687 8.572 1.00 0.00 C ATOM 0 HA ALA A 12 -9.775 -0.835 7.521 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.477 -2.536 9.327 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.207 -2.341 8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.317 -3.748 8.330 1.00 0.00 H new ATOM 166 N LEU A 13 -8.606 -3.449 5.962 1.00 0.00 N ATOM 167 CA LEU A 13 -7.352 -3.982 5.354 1.00 0.00 C ATOM 168 C LEU A 13 -6.847 -3.030 4.267 1.00 0.00 C ATOM 169 O LEU A 13 -5.671 -2.737 4.182 1.00 0.00 O ATOM 170 CB LEU A 13 -7.748 -5.328 4.744 1.00 0.00 C ATOM 171 CG LEU A 13 -6.510 -6.219 4.628 1.00 0.00 C ATOM 172 CD1 LEU A 13 -6.938 -7.687 4.596 1.00 0.00 C ATOM 173 CD2 LEU A 13 -5.759 -5.879 3.339 1.00 0.00 C ATOM 0 H LEU A 13 -9.453 -3.970 5.734 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.550 -4.086 6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.501 -5.813 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.194 -5.177 3.761 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.859 -6.050 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.056 -8.322 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.475 -7.930 5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.589 -7.858 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.876 -6.513 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.411 -6.049 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.454 -4.833 3.361 1.00 0.00 H new ATOM 185 N GLU A 14 -7.728 -2.544 3.435 1.00 0.00 N ATOM 186 CA GLU A 14 -7.300 -1.609 2.355 1.00 0.00 C ATOM 187 C GLU A 14 -6.653 -0.364 2.964 1.00 0.00 C ATOM 188 O GLU A 14 -5.611 0.082 2.529 1.00 0.00 O ATOM 189 CB GLU A 14 -8.590 -1.238 1.623 1.00 0.00 C ATOM 190 CG GLU A 14 -8.256 -0.377 0.403 1.00 0.00 C ATOM 191 CD GLU A 14 -9.117 0.887 0.421 1.00 0.00 C ATOM 192 OE1 GLU A 14 -10.055 0.931 1.200 1.00 0.00 O ATOM 193 OE2 GLU A 14 -8.823 1.791 -0.345 1.00 0.00 O ATOM 0 H GLU A 14 -8.726 -2.754 3.456 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.564 -2.056 1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.116 -2.140 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.257 -0.695 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.199 -0.110 0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.436 -0.940 -0.513 1.00 0.00 H new ATOM 200 N ALA A 15 -7.266 0.197 3.969 1.00 0.00 N ATOM 201 CA ALA A 15 -6.690 1.413 4.609 1.00 0.00 C ATOM 202 C ALA A 15 -5.407 1.055 5.363 1.00 0.00 C ATOM 203 O ALA A 15 -4.454 1.808 5.380 1.00 0.00 O ATOM 204 CB ALA A 15 -7.769 1.892 5.579 1.00 0.00 C ATOM 0 H ALA A 15 -8.141 -0.134 4.375 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.425 2.180 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.423 2.788 6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.680 2.120 5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.974 1.110 6.310 1.00 0.00 H new ATOM 210 N LYS A 16 -5.372 -0.094 5.983 1.00 0.00 N ATOM 211 CA LYS A 16 -4.147 -0.500 6.729 1.00 0.00 C ATOM 212 C LYS A 16 -2.945 -0.513 5.784 1.00 0.00 C ATOM 213 O LYS A 16 -1.856 -0.109 6.139 1.00 0.00 O ATOM 214 CB LYS A 16 -4.440 -1.909 7.244 1.00 0.00 C ATOM 215 CG LYS A 16 -4.184 -1.966 8.751 1.00 0.00 C ATOM 216 CD LYS A 16 -5.176 -1.053 9.473 1.00 0.00 C ATOM 217 CE LYS A 16 -4.610 -0.664 10.840 1.00 0.00 C ATOM 218 NZ LYS A 16 -5.036 0.748 11.046 1.00 0.00 N ATOM 0 H LYS A 16 -6.138 -0.768 6.005 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.910 0.185 7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.474 -2.178 7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.809 -2.634 6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.289 -2.990 9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.162 -1.655 8.969 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.364 -0.159 8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.132 -1.562 9.595 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.997 -1.312 11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.524 -0.755 10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.685 1.086 11.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.647 1.342 10.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.074 0.803 11.031 1.00 0.00 H new ATOM 232 N ILE A 17 -3.137 -0.973 4.578 1.00 0.00 N ATOM 233 CA ILE A 17 -2.010 -1.010 3.604 1.00 0.00 C ATOM 234 C ILE A 17 -1.504 0.410 3.341 1.00 0.00 C ATOM 235 O ILE A 17 -0.316 0.668 3.333 1.00 0.00 O ATOM 236 CB ILE A 17 -2.612 -1.613 2.335 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.946 -3.086 2.584 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.606 -1.506 1.189 1.00 0.00 C ATOM 239 CD1 ILE A 17 -3.953 -3.564 1.536 1.00 0.00 C ATOM 0 H ILE A 17 -4.027 -1.325 4.225 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.160 -1.589 3.965 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.520 -1.071 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.039 -3.689 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.359 -3.212 3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.037 -1.936 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.366 -0.458 1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.697 -2.048 1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.192 -4.613 1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.863 -2.968 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.523 -3.452 0.541 1.00 0.00 H new ATOM 251 N CYS A 18 -2.400 1.336 3.135 1.00 0.00 N ATOM 252 CA CYS A 18 -1.976 2.743 2.884 1.00 0.00 C ATOM 253 C CYS A 18 -1.261 3.297 4.117 1.00 0.00 C ATOM 254 O CYS A 18 -0.295 4.027 4.014 1.00 0.00 O ATOM 255 CB CYS A 18 -3.274 3.509 2.624 1.00 0.00 C ATOM 256 SG CYS A 18 -3.029 4.658 1.247 1.00 0.00 S ATOM 0 H CYS A 18 -3.408 1.179 3.130 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.283 2.827 2.047 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.080 2.813 2.392 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.572 4.055 3.519 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.132 5.308 1.023 1.00 0.00 H new ATOM 262 N HIS A 19 -1.730 2.955 5.286 1.00 0.00 N ATOM 263 CA HIS A 19 -1.084 3.459 6.530 1.00 0.00 C ATOM 264 C HIS A 19 0.393 3.061 6.558 1.00 0.00 C ATOM 265 O HIS A 19 1.236 3.809 7.012 1.00 0.00 O ATOM 266 CB HIS A 19 -1.843 2.788 7.674 1.00 0.00 C ATOM 267 CG HIS A 19 -2.246 3.825 8.686 1.00 0.00 C ATOM 268 ND1 HIS A 19 -3.513 3.854 9.249 1.00 0.00 N ATOM 269 CD2 HIS A 19 -1.564 4.876 9.244 1.00 0.00 C ATOM 270 CE1 HIS A 19 -3.552 4.892 10.105 1.00 0.00 C ATOM 271 NE2 HIS A 19 -2.389 5.549 10.140 1.00 0.00 N ATOM 0 H HIS A 19 -2.535 2.346 5.433 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.121 4.546 6.601 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.726 2.278 7.289 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.217 2.030 8.144 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.541 5.141 9.022 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.418 5.161 10.692 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -2.156 6.367 10.702 1.00 0.00 H new ATOM 279 N GLN A 20 0.722 1.892 6.074 1.00 0.00 N ATOM 280 CA GLN A 20 2.151 1.472 6.080 1.00 0.00 C ATOM 281 C GLN A 20 2.960 2.417 5.190 1.00 0.00 C ATOM 282 O GLN A 20 3.977 2.952 5.595 1.00 0.00 O ATOM 283 CB GLN A 20 2.152 0.054 5.503 1.00 0.00 C ATOM 284 CG GLN A 20 2.326 -0.960 6.636 1.00 0.00 C ATOM 285 CD GLN A 20 1.430 -0.572 7.815 1.00 0.00 C ATOM 286 OE1 GLN A 20 1.892 -0.463 8.934 1.00 0.00 O ATOM 287 NE2 GLN A 20 0.160 -0.356 7.610 1.00 0.00 N ATOM 0 H GLN A 20 0.068 1.216 5.678 1.00 0.00 H new ATOM 0 HA GLN A 20 2.595 1.499 7.075 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.219 -0.135 4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.958 -0.054 4.778 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.070 -1.960 6.285 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.368 -0.991 6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.228 -0.447 6.671 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.445 -0.096 8.389 1.00 0.00 H new ATOM 296 N ILE A 21 2.499 2.662 3.993 1.00 0.00 N ATOM 297 CA ILE A 21 3.235 3.603 3.109 1.00 0.00 C ATOM 298 C ILE A 21 3.319 4.953 3.813 1.00 0.00 C ATOM 299 O ILE A 21 4.307 5.657 3.731 1.00 0.00 O ATOM 300 CB ILE A 21 2.396 3.706 1.836 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.294 2.326 1.182 1.00 0.00 C ATOM 302 CG2 ILE A 21 3.067 4.681 0.868 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.642 1.951 0.562 1.00 0.00 C ATOM 0 H ILE A 21 1.653 2.255 3.594 1.00 0.00 H new ATOM 0 HA ILE A 21 4.249 3.275 2.880 1.00 0.00 H new ATOM 0 HB ILE A 21 1.397 4.065 2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.004 1.582 1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.519 2.332 0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.472 4.758 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.144 5.663 1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.064 4.319 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.568 0.968 0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.914 2.690 -0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.406 1.928 1.339 1.00 0.00 H new ATOM 315 N GLU A 22 2.286 5.303 4.526 1.00 0.00 N ATOM 316 CA GLU A 22 2.284 6.588 5.271 1.00 0.00 C ATOM 317 C GLU A 22 3.415 6.583 6.299 1.00 0.00 C ATOM 318 O GLU A 22 4.023 7.595 6.577 1.00 0.00 O ATOM 319 CB GLU A 22 0.923 6.645 5.966 1.00 0.00 C ATOM 320 CG GLU A 22 0.268 8.000 5.696 1.00 0.00 C ATOM 321 CD GLU A 22 -1.194 7.960 6.145 1.00 0.00 C ATOM 322 OE1 GLU A 22 -1.424 7.839 7.336 1.00 0.00 O ATOM 323 OE2 GLU A 22 -2.059 8.051 5.288 1.00 0.00 O ATOM 0 H GLU A 22 1.436 4.747 4.624 1.00 0.00 H new ATOM 0 HA GLU A 22 2.438 7.450 4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.283 5.841 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.044 6.495 7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.802 8.786 6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.327 8.239 4.634 1.00 0.00 H new ATOM 330 N TYR A 23 3.703 5.453 6.877 1.00 0.00 N ATOM 331 CA TYR A 23 4.793 5.411 7.888 1.00 0.00 C ATOM 332 C TYR A 23 6.117 5.875 7.267 1.00 0.00 C ATOM 333 O TYR A 23 6.832 6.663 7.853 1.00 0.00 O ATOM 334 CB TYR A 23 4.875 3.944 8.325 1.00 0.00 C ATOM 335 CG TYR A 23 6.293 3.606 8.724 1.00 0.00 C ATOM 336 CD1 TYR A 23 7.026 4.491 9.525 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.873 2.411 8.288 1.00 0.00 C ATOM 338 CE1 TYR A 23 8.341 4.176 9.889 1.00 0.00 C ATOM 339 CE2 TYR A 23 8.188 2.097 8.653 1.00 0.00 C ATOM 340 CZ TYR A 23 8.922 2.980 9.453 1.00 0.00 C ATOM 341 OH TYR A 23 10.218 2.671 9.812 1.00 0.00 O ATOM 0 H TYR A 23 3.236 4.564 6.696 1.00 0.00 H new ATOM 0 HA TYR A 23 4.599 6.073 8.732 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.200 3.766 9.162 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.552 3.294 7.512 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.578 5.414 9.861 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.307 1.730 7.670 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.907 4.857 10.507 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.636 1.173 8.317 1.00 0.00 H new ATOM 0 HH TYR A 23 10.467 1.805 9.427 1.00 0.00 H new ATOM 351 N TYR A 24 6.462 5.406 6.090 1.00 0.00 N ATOM 352 CA TYR A 24 7.755 5.864 5.483 1.00 0.00 C ATOM 353 C TYR A 24 7.612 7.252 4.847 1.00 0.00 C ATOM 354 O TYR A 24 8.481 8.091 4.965 1.00 0.00 O ATOM 355 CB TYR A 24 8.127 4.854 4.390 1.00 0.00 C ATOM 356 CG TYR A 24 7.476 3.519 4.637 1.00 0.00 C ATOM 357 CD1 TYR A 24 8.052 2.609 5.530 1.00 0.00 C ATOM 358 CD2 TYR A 24 6.304 3.187 3.956 1.00 0.00 C ATOM 359 CE1 TYR A 24 7.448 1.365 5.743 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.703 1.946 4.164 1.00 0.00 C ATOM 361 CZ TYR A 24 6.273 1.032 5.058 1.00 0.00 C ATOM 362 OH TYR A 24 5.678 -0.196 5.265 1.00 0.00 O ATOM 0 H TYR A 24 5.921 4.743 5.535 1.00 0.00 H new ATOM 0 HA TYR A 24 8.519 5.927 6.258 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.819 5.237 3.417 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.210 4.733 4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.961 2.866 6.054 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.862 3.892 3.267 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.888 0.662 6.435 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.797 1.690 3.635 1.00 0.00 H new ATOM 0 HH TYR A 24 6.236 -0.900 4.873 1.00 0.00 H new ATOM 372 N PHE A 25 6.533 7.490 4.148 1.00 0.00 N ATOM 373 CA PHE A 25 6.360 8.820 3.481 1.00 0.00 C ATOM 374 C PHE A 25 5.267 9.654 4.152 1.00 0.00 C ATOM 375 O PHE A 25 5.237 10.862 4.027 1.00 0.00 O ATOM 376 CB PHE A 25 5.958 8.499 2.040 1.00 0.00 C ATOM 377 CG PHE A 25 6.679 7.261 1.566 1.00 0.00 C ATOM 378 CD1 PHE A 25 8.027 7.334 1.194 1.00 0.00 C ATOM 379 CD2 PHE A 25 5.999 6.040 1.494 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.693 6.185 0.751 1.00 0.00 C ATOM 381 CE2 PHE A 25 6.665 4.892 1.051 1.00 0.00 C ATOM 382 CZ PHE A 25 8.012 4.964 0.680 1.00 0.00 C ATOM 0 H PHE A 25 5.769 6.829 4.009 1.00 0.00 H new ATOM 0 HA PHE A 25 7.276 9.407 3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.880 8.348 1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.198 9.341 1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.552 8.276 1.249 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.959 5.984 1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.733 6.241 0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.139 3.950 0.995 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.526 4.078 0.339 1.00 0.00 H new ATOM 392 N GLY A 26 4.363 9.023 4.844 1.00 0.00 N ATOM 393 CA GLY A 26 3.261 9.782 5.506 1.00 0.00 C ATOM 394 C GLY A 26 3.787 11.126 6.001 1.00 0.00 C ATOM 395 O GLY A 26 3.286 12.171 5.637 1.00 0.00 O ATOM 0 H GLY A 26 4.337 8.013 4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.441 9.937 4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.861 9.207 6.341 1.00 0.00 H new ATOM 399 N ASP A 27 4.798 11.107 6.824 1.00 0.00 N ATOM 400 CA ASP A 27 5.363 12.384 7.342 1.00 0.00 C ATOM 401 C ASP A 27 6.385 12.104 8.446 1.00 0.00 C ATOM 402 O ASP A 27 7.219 12.927 8.750 1.00 0.00 O ATOM 403 CB ASP A 27 4.167 13.147 7.914 1.00 0.00 C ATOM 404 CG ASP A 27 3.374 12.228 8.846 1.00 0.00 C ATOM 405 OD1 ASP A 27 2.913 11.199 8.381 1.00 0.00 O ATOM 406 OD2 ASP A 27 3.240 12.571 10.009 1.00 0.00 O ATOM 0 H ASP A 27 5.258 10.261 7.161 1.00 0.00 H new ATOM 0 HA ASP A 27 5.877 12.948 6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.510 14.027 8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.528 13.502 7.105 1.00 0.00 H new ATOM 411 N PHE A 28 6.315 10.954 9.057 1.00 0.00 N ATOM 412 CA PHE A 28 7.277 10.630 10.150 1.00 0.00 C ATOM 413 C PHE A 28 8.623 10.171 9.579 1.00 0.00 C ATOM 414 O PHE A 28 9.672 10.571 10.042 1.00 0.00 O ATOM 415 CB PHE A 28 6.616 9.498 10.935 1.00 0.00 C ATOM 416 CG PHE A 28 7.597 8.939 11.937 1.00 0.00 C ATOM 417 CD1 PHE A 28 7.688 9.501 13.217 1.00 0.00 C ATOM 418 CD2 PHE A 28 8.415 7.858 11.588 1.00 0.00 C ATOM 419 CE1 PHE A 28 8.597 8.982 14.146 1.00 0.00 C ATOM 420 CE2 PHE A 28 9.324 7.339 12.518 1.00 0.00 C ATOM 421 CZ PHE A 28 9.414 7.901 13.797 1.00 0.00 C ATOM 0 H PHE A 28 5.634 10.224 8.848 1.00 0.00 H new ATOM 0 HA PHE A 28 7.487 11.499 10.774 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.728 9.867 11.447 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.288 8.712 10.254 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.057 10.335 13.487 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.345 7.424 10.601 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.668 9.416 15.132 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.956 6.505 12.249 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.114 7.500 14.515 1.00 0.00 H new ATOM 431 N ASN A 29 8.598 9.332 8.583 1.00 0.00 N ATOM 432 CA ASN A 29 9.876 8.843 7.983 1.00 0.00 C ATOM 433 C ASN A 29 10.476 9.872 7.015 1.00 0.00 C ATOM 434 O ASN A 29 11.676 9.982 6.881 1.00 0.00 O ATOM 435 CB ASN A 29 9.494 7.570 7.237 1.00 0.00 C ATOM 436 CG ASN A 29 9.814 6.353 8.108 1.00 0.00 C ATOM 437 OD1 ASN A 29 9.670 6.400 9.313 1.00 0.00 O ATOM 438 ND2 ASN A 29 10.243 5.257 7.543 1.00 0.00 N ATOM 0 H ASN A 29 7.749 8.962 8.156 1.00 0.00 H new ATOM 0 HA ASN A 29 10.635 8.671 8.746 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.432 7.585 6.990 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.039 7.510 6.295 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.458 4.439 8.114 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.364 5.218 6.531 1.00 0.00 H new ATOM 445 N LEU A 30 9.647 10.592 6.313 1.00 0.00 N ATOM 446 CA LEU A 30 10.151 11.582 5.310 1.00 0.00 C ATOM 447 C LEU A 30 11.079 12.636 5.937 1.00 0.00 C ATOM 448 O LEU A 30 12.046 13.041 5.325 1.00 0.00 O ATOM 449 CB LEU A 30 8.882 12.245 4.770 1.00 0.00 C ATOM 450 CG LEU A 30 8.800 12.065 3.250 1.00 0.00 C ATOM 451 CD1 LEU A 30 9.786 13.013 2.568 1.00 0.00 C ATOM 452 CD2 LEU A 30 9.144 10.620 2.884 1.00 0.00 C ATOM 0 H LEU A 30 8.631 10.539 6.389 1.00 0.00 H new ATOM 0 HA LEU A 30 10.749 11.096 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.004 11.807 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.883 13.306 5.019 1.00 0.00 H new ATOM 0 HG LEU A 30 7.788 12.292 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.727 12.884 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.537 14.043 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.798 12.789 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.085 10.495 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.155 10.390 3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.438 9.944 3.367 1.00 0.00 H new ATOM 464 N PRO A 31 10.754 13.060 7.126 1.00 0.00 N ATOM 465 CA PRO A 31 11.572 14.092 7.816 1.00 0.00 C ATOM 466 C PRO A 31 13.023 13.628 8.000 1.00 0.00 C ATOM 467 O PRO A 31 13.921 14.435 8.128 1.00 0.00 O ATOM 468 CB PRO A 31 10.890 14.262 9.173 1.00 0.00 C ATOM 469 CG PRO A 31 9.523 13.681 9.008 1.00 0.00 C ATOM 470 CD PRO A 31 9.611 12.635 7.929 1.00 0.00 C ATOM 0 HA PRO A 31 11.625 15.020 7.246 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.444 13.746 9.958 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.838 15.313 9.457 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.177 13.241 9.943 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.806 14.456 8.735 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.764 11.640 8.347 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.698 12.594 7.335 1.00 0.00 H new ATOM 478 N ARG A 32 13.268 12.346 8.024 1.00 0.00 N ATOM 479 CA ARG A 32 14.674 11.874 8.210 1.00 0.00 C ATOM 480 C ARG A 32 14.874 10.482 7.605 1.00 0.00 C ATOM 481 O ARG A 32 15.777 9.762 7.979 1.00 0.00 O ATOM 482 CB ARG A 32 14.875 11.829 9.725 1.00 0.00 C ATOM 483 CG ARG A 32 15.282 13.216 10.228 1.00 0.00 C ATOM 484 CD ARG A 32 16.531 13.094 11.105 1.00 0.00 C ATOM 485 NE ARG A 32 16.238 13.924 12.306 1.00 0.00 N ATOM 486 CZ ARG A 32 16.154 15.222 12.199 1.00 0.00 C ATOM 487 NH1 ARG A 32 16.323 15.796 11.039 1.00 0.00 N ATOM 488 NH2 ARG A 32 15.899 15.949 13.253 1.00 0.00 N ATOM 0 H ARG A 32 12.567 11.612 7.924 1.00 0.00 H new ATOM 0 HA ARG A 32 15.389 12.530 7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.956 11.508 10.215 1.00 0.00 H new ATOM 0 HB3 ARG A 32 15.643 11.099 9.979 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.480 13.877 9.384 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.467 13.662 10.798 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.722 12.056 11.379 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.417 13.454 10.583 1.00 0.00 H new ATOM 0 HE ARG A 32 16.103 13.478 13.213 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.521 15.230 10.214 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.257 16.811 10.958 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.765 15.503 14.160 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.833 16.963 13.169 1.00 0.00 H new ATOM 502 N ASP A 33 14.022 10.077 6.706 1.00 0.00 N ATOM 503 CA ASP A 33 14.157 8.710 6.124 1.00 0.00 C ATOM 504 C ASP A 33 15.512 8.538 5.431 1.00 0.00 C ATOM 505 O ASP A 33 15.700 8.927 4.296 1.00 0.00 O ATOM 506 CB ASP A 33 13.028 8.613 5.097 1.00 0.00 C ATOM 507 CG ASP A 33 12.142 7.410 5.420 1.00 0.00 C ATOM 508 OD1 ASP A 33 12.315 6.840 6.485 1.00 0.00 O ATOM 509 OD2 ASP A 33 11.304 7.079 4.597 1.00 0.00 O ATOM 0 H ASP A 33 13.242 10.629 6.349 1.00 0.00 H new ATOM 0 HA ASP A 33 14.099 7.937 6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.435 9.527 5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.443 8.513 4.094 1.00 0.00 H new ATOM 514 N LYS A 34 16.452 7.940 6.116 1.00 0.00 N ATOM 515 CA LYS A 34 17.798 7.716 5.511 1.00 0.00 C ATOM 516 C LYS A 34 17.724 6.582 4.491 1.00 0.00 C ATOM 517 O LYS A 34 18.243 6.676 3.396 1.00 0.00 O ATOM 518 CB LYS A 34 18.713 7.320 6.674 1.00 0.00 C ATOM 519 CG LYS A 34 18.342 8.117 7.925 1.00 0.00 C ATOM 520 CD LYS A 34 18.286 9.607 7.583 1.00 0.00 C ATOM 521 CE LYS A 34 19.652 10.066 7.070 1.00 0.00 C ATOM 522 NZ LYS A 34 19.487 11.518 6.781 1.00 0.00 N ATOM 0 H LYS A 34 16.345 7.597 7.070 1.00 0.00 H new ATOM 0 HA LYS A 34 18.166 8.602 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.621 6.252 6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.754 7.507 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.377 7.784 8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 34 19.075 7.941 8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.522 9.789 6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.005 10.183 8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.430 9.898 7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.943 9.516 6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.384 11.905 6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.745 11.647 6.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.217 12.017 7.653 1.00 0.00 H new ATOM 536 N PHE A 35 17.078 5.509 4.849 1.00 0.00 N ATOM 537 CA PHE A 35 16.960 4.357 3.909 1.00 0.00 C ATOM 538 C PHE A 35 16.110 4.760 2.701 1.00 0.00 C ATOM 539 O PHE A 35 16.435 4.460 1.570 1.00 0.00 O ATOM 540 CB PHE A 35 16.273 3.253 4.722 1.00 0.00 C ATOM 541 CG PHE A 35 14.942 2.905 4.096 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.783 3.590 4.483 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.867 1.901 3.123 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.552 3.270 3.900 1.00 0.00 C ATOM 545 CE2 PHE A 35 13.636 1.581 2.539 1.00 0.00 C ATOM 546 CZ PHE A 35 12.478 2.266 2.927 1.00 0.00 C ATOM 0 H PHE A 35 16.625 5.378 5.754 1.00 0.00 H new ATOM 0 HA PHE A 35 17.924 4.028 3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 35 16.909 2.369 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.126 3.585 5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.840 4.366 5.232 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.760 1.373 2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.659 3.798 4.201 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.579 0.806 1.789 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.528 2.020 2.476 1.00 0.00 H new ATOM 556 N LEU A 36 15.031 5.451 2.939 1.00 0.00 N ATOM 557 CA LEU A 36 14.163 5.893 1.814 1.00 0.00 C ATOM 558 C LEU A 36 14.929 6.892 0.949 1.00 0.00 C ATOM 559 O LEU A 36 14.793 6.923 -0.257 1.00 0.00 O ATOM 560 CB LEU A 36 12.962 6.563 2.478 1.00 0.00 C ATOM 561 CG LEU A 36 11.711 6.312 1.638 1.00 0.00 C ATOM 562 CD1 LEU A 36 12.021 6.597 0.166 1.00 0.00 C ATOM 563 CD2 LEU A 36 11.274 4.852 1.795 1.00 0.00 C ATOM 0 H LEU A 36 14.712 5.729 3.867 1.00 0.00 H new ATOM 0 HA LEU A 36 13.855 5.071 1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.822 6.169 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.138 7.634 2.577 1.00 0.00 H new ATOM 0 HG LEU A 36 10.909 6.969 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.129 6.418 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.332 7.636 0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.823 5.940 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.381 4.673 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.075 4.194 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.054 4.649 2.843 1.00 0.00 H new ATOM 575 N LYS A 37 15.752 7.694 1.567 1.00 0.00 N ATOM 576 CA LYS A 37 16.560 8.688 0.804 1.00 0.00 C ATOM 577 C LYS A 37 17.501 7.958 -0.152 1.00 0.00 C ATOM 578 O LYS A 37 17.829 8.437 -1.219 1.00 0.00 O ATOM 579 CB LYS A 37 17.368 9.427 1.865 1.00 0.00 C ATOM 580 CG LYS A 37 16.940 10.889 1.910 1.00 0.00 C ATOM 581 CD LYS A 37 16.980 11.374 3.358 1.00 0.00 C ATOM 582 CE LYS A 37 15.678 12.106 3.690 1.00 0.00 C ATOM 583 NZ LYS A 37 14.975 11.220 4.659 1.00 0.00 N ATOM 0 H LYS A 37 15.901 7.703 2.576 1.00 0.00 H new ATOM 0 HA LYS A 37 15.943 9.362 0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.216 8.963 2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.432 9.356 1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 37 17.603 11.495 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.935 11.000 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.115 10.528 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.831 12.039 3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.876 13.087 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.077 12.268 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.042 11.621 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.855 10.275 4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.537 11.144 5.531 1.00 0.00 H new ATOM 597 N GLU A 38 17.928 6.793 0.237 1.00 0.00 N ATOM 598 CA GLU A 38 18.849 6.002 -0.628 1.00 0.00 C ATOM 599 C GLU A 38 18.105 5.493 -1.867 1.00 0.00 C ATOM 600 O GLU A 38 18.568 5.634 -2.981 1.00 0.00 O ATOM 601 CB GLU A 38 19.304 4.831 0.245 1.00 0.00 C ATOM 602 CG GLU A 38 20.757 4.483 -0.086 1.00 0.00 C ATOM 603 CD GLU A 38 21.672 5.006 1.024 1.00 0.00 C ATOM 604 OE1 GLU A 38 21.843 6.210 1.107 1.00 0.00 O ATOM 605 OE2 GLU A 38 22.187 4.190 1.772 1.00 0.00 O ATOM 0 H GLU A 38 17.679 6.350 1.121 1.00 0.00 H new ATOM 0 HA GLU A 38 19.691 6.594 -0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 38 19.212 5.092 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.664 3.966 0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.870 3.404 -0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.039 4.924 -1.042 1.00 0.00 H new ATOM 612 N GLN A 39 16.955 4.904 -1.682 1.00 0.00 N ATOM 613 CA GLN A 39 16.185 4.388 -2.851 1.00 0.00 C ATOM 614 C GLN A 39 15.602 5.553 -3.658 1.00 0.00 C ATOM 615 O GLN A 39 15.728 5.608 -4.865 1.00 0.00 O ATOM 616 CB GLN A 39 15.066 3.541 -2.245 1.00 0.00 C ATOM 617 CG GLN A 39 15.592 2.135 -1.949 1.00 0.00 C ATOM 618 CD GLN A 39 15.630 1.321 -3.243 1.00 0.00 C ATOM 619 OE1 GLN A 39 14.600 0.951 -3.772 1.00 0.00 O ATOM 620 NE2 GLN A 39 16.782 1.023 -3.780 1.00 0.00 N ATOM 0 H GLN A 39 16.515 4.758 -0.773 1.00 0.00 H new ATOM 0 HA GLN A 39 16.808 3.811 -3.534 1.00 0.00 H new ATOM 0 HB2 GLN A 39 14.701 4.004 -1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 39 14.223 3.488 -2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 39 16.590 2.193 -1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.953 1.643 -1.216 1.00 0.00 H new ATOM 0 HE21 GLN A 39 17.647 1.333 -3.337 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.817 0.480 -4.643 1.00 0.00 H new ATOM 629 N ILE A 40 14.969 6.484 -3.000 1.00 0.00 N ATOM 630 CA ILE A 40 14.386 7.641 -3.739 1.00 0.00 C ATOM 631 C ILE A 40 15.504 8.411 -4.450 1.00 0.00 C ATOM 632 O ILE A 40 15.341 8.885 -5.557 1.00 0.00 O ATOM 633 CB ILE A 40 13.706 8.509 -2.676 1.00 0.00 C ATOM 634 CG1 ILE A 40 13.056 9.722 -3.348 1.00 0.00 C ATOM 635 CG2 ILE A 40 14.739 8.990 -1.659 1.00 0.00 C ATOM 636 CD1 ILE A 40 11.585 9.418 -3.636 1.00 0.00 C ATOM 0 H ILE A 40 14.830 6.495 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 40 13.673 7.332 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 40 12.945 7.918 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.138 10.596 -2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.577 9.960 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.248 9.607 -0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.203 8.130 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.504 9.577 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.122 10.281 -4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.515 8.555 -4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.069 9.201 -2.701 1.00 0.00 H new ATOM 648 N LYS A 41 16.643 8.527 -3.825 1.00 0.00 N ATOM 649 CA LYS A 41 17.778 9.253 -4.464 1.00 0.00 C ATOM 650 C LYS A 41 18.390 8.396 -5.576 1.00 0.00 C ATOM 651 O LYS A 41 18.977 8.903 -6.512 1.00 0.00 O ATOM 652 CB LYS A 41 18.791 9.477 -3.341 1.00 0.00 C ATOM 653 CG LYS A 41 20.037 10.164 -3.907 1.00 0.00 C ATOM 654 CD LYS A 41 20.657 11.060 -2.834 1.00 0.00 C ATOM 655 CE LYS A 41 22.081 11.439 -3.246 1.00 0.00 C ATOM 656 NZ LYS A 41 22.031 12.906 -3.495 1.00 0.00 N ATOM 0 H LYS A 41 16.838 8.150 -2.898 1.00 0.00 H new ATOM 0 HA LYS A 41 17.464 10.192 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.350 10.090 -2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 41 19.063 8.524 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.760 9.417 -4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.772 10.757 -4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.054 11.958 -2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.670 10.542 -1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.797 11.196 -2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.391 10.897 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.972 13.242 -3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.346 13.107 -4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.740 13.396 -2.625 1.00 0.00 H new ATOM 670 N LEU A 42 18.254 7.101 -5.482 1.00 0.00 N ATOM 671 CA LEU A 42 18.825 6.212 -6.535 1.00 0.00 C ATOM 672 C LEU A 42 18.269 6.603 -7.907 1.00 0.00 C ATOM 673 O LEU A 42 18.922 7.267 -8.687 1.00 0.00 O ATOM 674 CB LEU A 42 18.375 4.802 -6.153 1.00 0.00 C ATOM 675 CG LEU A 42 19.598 3.890 -6.040 1.00 0.00 C ATOM 676 CD1 LEU A 42 19.746 3.410 -4.595 1.00 0.00 C ATOM 677 CD2 LEU A 42 19.419 2.681 -6.961 1.00 0.00 C ATOM 0 H LEU A 42 17.773 6.620 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 42 19.911 6.286 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 42 17.836 4.825 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.686 4.413 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 42 20.491 4.443 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 42 20.617 2.760 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.873 4.270 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.853 2.857 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 42 20.290 2.031 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 42 18.526 2.129 -6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 42 19.313 3.021 -7.991 1.00 0.00 H new ATOM 689 N ASP A 43 17.062 6.202 -8.205 1.00 0.00 N ATOM 690 CA ASP A 43 16.462 6.559 -9.523 1.00 0.00 C ATOM 691 C ASP A 43 15.860 7.965 -9.451 1.00 0.00 C ATOM 692 O ASP A 43 16.477 8.887 -8.956 1.00 0.00 O ATOM 693 CB ASP A 43 15.371 5.514 -9.756 1.00 0.00 C ATOM 694 CG ASP A 43 14.303 5.638 -8.667 1.00 0.00 C ATOM 695 OD1 ASP A 43 14.422 6.536 -7.850 1.00 0.00 O ATOM 696 OD2 ASP A 43 13.386 4.835 -8.670 1.00 0.00 O ATOM 0 H ASP A 43 16.466 5.643 -7.594 1.00 0.00 H new ATOM 0 HA ASP A 43 17.194 6.564 -10.331 1.00 0.00 H new ATOM 0 HB2 ASP A 43 14.921 5.655 -10.739 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.803 4.513 -9.744 1.00 0.00 H new ATOM 701 N GLU A 44 14.659 8.140 -9.931 1.00 0.00 N ATOM 702 CA GLU A 44 14.027 9.489 -9.875 1.00 0.00 C ATOM 703 C GLU A 44 13.191 9.614 -8.599 1.00 0.00 C ATOM 704 O GLU A 44 12.350 10.482 -8.478 1.00 0.00 O ATOM 705 CB GLU A 44 13.132 9.561 -11.113 1.00 0.00 C ATOM 706 CG GLU A 44 12.840 11.025 -11.447 1.00 0.00 C ATOM 707 CD GLU A 44 11.585 11.110 -12.318 1.00 0.00 C ATOM 708 OE1 GLU A 44 11.319 10.157 -13.032 1.00 0.00 O ATOM 709 OE2 GLU A 44 10.913 12.126 -12.257 1.00 0.00 O ATOM 0 H GLU A 44 14.089 7.410 -10.358 1.00 0.00 H new ATOM 0 HA GLU A 44 14.761 10.295 -9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.621 9.075 -11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.200 9.025 -10.933 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.698 11.597 -10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.689 11.466 -11.970 1.00 0.00 H new ATOM 716 N GLY A 45 13.414 8.747 -7.650 1.00 0.00 N ATOM 717 CA GLY A 45 12.632 8.807 -6.383 1.00 0.00 C ATOM 718 C GLY A 45 11.570 7.709 -6.392 1.00 0.00 C ATOM 719 O GLY A 45 10.955 7.416 -5.386 1.00 0.00 O ATOM 0 H GLY A 45 14.105 7.998 -7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.295 8.681 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.160 9.784 -6.279 1.00 0.00 H new ATOM 723 N TRP A 46 11.342 7.108 -7.526 1.00 0.00 N ATOM 724 CA TRP A 46 10.310 6.037 -7.611 1.00 0.00 C ATOM 725 C TRP A 46 10.750 4.788 -6.840 1.00 0.00 C ATOM 726 O TRP A 46 11.749 4.168 -7.151 1.00 0.00 O ATOM 727 CB TRP A 46 10.187 5.729 -9.102 1.00 0.00 C ATOM 728 CG TRP A 46 9.330 6.764 -9.755 1.00 0.00 C ATOM 729 CD1 TRP A 46 9.679 7.486 -10.844 1.00 0.00 C ATOM 730 CD2 TRP A 46 7.993 7.206 -9.381 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.641 8.343 -11.165 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.579 8.207 -10.292 1.00 0.00 C ATOM 733 CE3 TRP A 46 7.107 6.841 -8.350 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.332 8.822 -10.186 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.851 7.458 -8.241 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.463 8.446 -9.156 1.00 0.00 C ATOM 0 H TRP A 46 11.827 7.313 -8.400 1.00 0.00 H new ATOM 0 HA TRP A 46 9.363 6.351 -7.173 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.174 5.715 -9.564 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.753 4.739 -9.245 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.615 7.407 -11.376 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.658 8.995 -11.949 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.395 6.081 -7.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 6.039 9.583 -10.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 5.179 7.169 -7.446 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.495 8.916 -9.066 1.00 0.00 H new ATOM 747 N VAL A 47 9.993 4.406 -5.849 1.00 0.00 N ATOM 748 CA VAL A 47 10.340 3.185 -5.065 1.00 0.00 C ATOM 749 C VAL A 47 9.391 2.048 -5.446 1.00 0.00 C ATOM 750 O VAL A 47 8.228 2.274 -5.701 1.00 0.00 O ATOM 751 CB VAL A 47 10.154 3.569 -3.597 1.00 0.00 C ATOM 752 CG1 VAL A 47 10.185 2.306 -2.729 1.00 0.00 C ATOM 753 CG2 VAL A 47 11.285 4.507 -3.168 1.00 0.00 C ATOM 0 H VAL A 47 9.146 4.888 -5.547 1.00 0.00 H new ATOM 0 HA VAL A 47 11.357 2.845 -5.259 1.00 0.00 H new ATOM 0 HB VAL A 47 9.195 4.072 -3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 47 10.052 2.580 -1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.381 1.636 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.144 1.803 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.153 4.781 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.243 4.003 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.265 5.406 -3.784 1.00 0.00 H new ATOM 763 N PRO A 48 9.916 0.857 -5.476 1.00 0.00 N ATOM 764 CA PRO A 48 9.110 -0.318 -5.829 1.00 0.00 C ATOM 765 C PRO A 48 8.491 -0.916 -4.566 1.00 0.00 C ATOM 766 O PRO A 48 9.067 -0.872 -3.497 1.00 0.00 O ATOM 767 CB PRO A 48 10.130 -1.271 -6.439 1.00 0.00 C ATOM 768 CG PRO A 48 11.477 -0.815 -5.940 1.00 0.00 C ATOM 769 CD PRO A 48 11.291 0.483 -5.190 1.00 0.00 C ATOM 0 HA PRO A 48 8.284 -0.098 -6.506 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.931 -2.300 -6.139 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.088 -1.243 -7.528 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.916 -1.570 -5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.164 -0.676 -6.775 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.456 0.354 -4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.992 1.245 -5.531 1.00 0.00 H new ATOM 777 N LEU A 49 7.321 -1.467 -4.681 1.00 0.00 N ATOM 778 CA LEU A 49 6.652 -2.062 -3.485 1.00 0.00 C ATOM 779 C LEU A 49 7.475 -3.222 -2.918 1.00 0.00 C ATOM 780 O LEU A 49 7.097 -3.836 -1.940 1.00 0.00 O ATOM 781 CB LEU A 49 5.307 -2.576 -3.999 1.00 0.00 C ATOM 782 CG LEU A 49 4.474 -1.407 -4.524 1.00 0.00 C ATOM 783 CD1 LEU A 49 4.111 -1.660 -5.987 1.00 0.00 C ATOM 784 CD2 LEU A 49 3.193 -1.286 -3.699 1.00 0.00 C ATOM 0 H LEU A 49 6.793 -1.534 -5.551 1.00 0.00 H new ATOM 0 HA LEU A 49 6.541 -1.333 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.465 -3.307 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.772 -3.086 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 49 5.049 -0.484 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.517 -0.827 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.023 -1.752 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.534 -2.582 -6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.597 -0.453 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.618 -2.208 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.448 -1.110 -2.654 1.00 0.00 H new ATOM 796 N GLU A 50 8.601 -3.525 -3.507 1.00 0.00 N ATOM 797 CA GLU A 50 9.427 -4.642 -2.969 1.00 0.00 C ATOM 798 C GLU A 50 9.923 -4.268 -1.576 1.00 0.00 C ATOM 799 O GLU A 50 9.849 -5.042 -0.644 1.00 0.00 O ATOM 800 CB GLU A 50 10.596 -4.800 -3.941 1.00 0.00 C ATOM 801 CG GLU A 50 11.476 -3.551 -3.909 1.00 0.00 C ATOM 802 CD GLU A 50 12.567 -3.675 -4.976 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.240 -4.058 -6.087 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.709 -3.383 -4.662 1.00 0.00 O ATOM 0 H GLU A 50 8.980 -3.053 -4.328 1.00 0.00 H new ATOM 0 HA GLU A 50 8.868 -5.573 -2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.186 -5.677 -3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.220 -4.964 -4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.872 -2.662 -4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.926 -3.434 -2.923 1.00 0.00 H new ATOM 811 N ILE A 51 10.411 -3.074 -1.434 1.00 0.00 N ATOM 812 CA ILE A 51 10.900 -2.615 -0.106 1.00 0.00 C ATOM 813 C ILE A 51 9.727 -2.520 0.869 1.00 0.00 C ATOM 814 O ILE A 51 9.860 -2.766 2.051 1.00 0.00 O ATOM 815 CB ILE A 51 11.486 -1.229 -0.361 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.693 -1.352 -1.288 1.00 0.00 C ATOM 817 CG2 ILE A 51 11.924 -0.609 0.966 1.00 0.00 C ATOM 818 CD1 ILE A 51 13.115 0.040 -1.755 1.00 0.00 C ATOM 0 H ILE A 51 10.494 -2.389 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 51 11.633 -3.296 0.328 1.00 0.00 H new ATOM 0 HB ILE A 51 10.732 -0.595 -0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 51 13.518 -1.839 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.445 -1.976 -2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.343 0.381 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.063 -0.523 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.679 -1.242 1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.977 -0.044 -2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.290 0.510 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.380 0.649 -0.891 1.00 0.00 H new ATOM 830 N MET A 52 8.573 -2.174 0.369 1.00 0.00 N ATOM 831 CA MET A 52 7.377 -2.072 1.251 1.00 0.00 C ATOM 832 C MET A 52 6.827 -3.469 1.556 1.00 0.00 C ATOM 833 O MET A 52 6.466 -3.778 2.675 1.00 0.00 O ATOM 834 CB MET A 52 6.362 -1.254 0.451 1.00 0.00 C ATOM 835 CG MET A 52 6.510 0.227 0.801 1.00 0.00 C ATOM 836 SD MET A 52 8.245 0.718 0.636 1.00 0.00 S ATOM 837 CE MET A 52 8.226 2.048 1.864 1.00 0.00 C ATOM 0 H MET A 52 8.407 -1.957 -0.614 1.00 0.00 H new ATOM 0 HA MET A 52 7.607 -1.606 2.209 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.520 -1.404 -0.617 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.350 -1.592 0.674 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.886 0.831 0.142 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.166 0.407 1.819 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.036 2.747 1.655 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.272 2.573 1.817 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.359 1.626 2.860 1.00 0.00 H new ATOM 847 N ILE A 53 6.751 -4.311 0.561 1.00 0.00 N ATOM 848 CA ILE A 53 6.213 -5.686 0.775 1.00 0.00 C ATOM 849 C ILE A 53 7.226 -6.566 1.515 1.00 0.00 C ATOM 850 O ILE A 53 6.987 -7.734 1.745 1.00 0.00 O ATOM 851 CB ILE A 53 5.955 -6.236 -0.628 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.226 -7.580 -0.524 1.00 0.00 C ATOM 853 CG2 ILE A 53 7.290 -6.428 -1.352 1.00 0.00 C ATOM 854 CD1 ILE A 53 5.506 -8.422 -1.771 1.00 0.00 C ATOM 0 H ILE A 53 7.040 -4.105 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 53 5.311 -5.673 1.387 1.00 0.00 H new ATOM 0 HB ILE A 53 5.337 -5.534 -1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.555 -8.114 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.154 -7.415 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.108 -6.820 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.805 -5.470 -1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.909 -7.131 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.985 -9.376 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.155 -7.890 -2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.578 -8.600 -1.856 1.00 0.00 H new ATOM 866 N LYS A 54 8.353 -6.027 1.895 1.00 0.00 N ATOM 867 CA LYS A 54 9.357 -6.856 2.623 1.00 0.00 C ATOM 868 C LYS A 54 9.646 -6.237 3.992 1.00 0.00 C ATOM 869 O LYS A 54 10.264 -6.847 4.843 1.00 0.00 O ATOM 870 CB LYS A 54 10.611 -6.828 1.747 1.00 0.00 C ATOM 871 CG LYS A 54 10.752 -8.164 1.015 1.00 0.00 C ATOM 872 CD LYS A 54 11.853 -8.995 1.679 1.00 0.00 C ATOM 873 CE LYS A 54 11.488 -9.247 3.144 1.00 0.00 C ATOM 874 NZ LYS A 54 12.686 -8.817 3.917 1.00 0.00 N ATOM 0 H LYS A 54 8.621 -5.056 1.735 1.00 0.00 H new ATOM 0 HA LYS A 54 9.008 -7.874 2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.547 -6.012 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.492 -6.643 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.807 -8.706 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.993 -7.993 -0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.974 -9.943 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.807 -8.472 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.605 -8.678 3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.261 -10.299 3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.513 -8.959 4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.509 -9.381 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.873 -7.810 3.735 1.00 0.00 H new ATOM 888 N PHE A 55 9.201 -5.029 4.211 1.00 0.00 N ATOM 889 CA PHE A 55 9.445 -4.369 5.525 1.00 0.00 C ATOM 890 C PHE A 55 8.505 -4.950 6.585 1.00 0.00 C ATOM 891 O PHE A 55 7.348 -5.216 6.325 1.00 0.00 O ATOM 892 CB PHE A 55 9.143 -2.888 5.285 1.00 0.00 C ATOM 893 CG PHE A 55 10.402 -2.079 5.488 1.00 0.00 C ATOM 894 CD1 PHE A 55 11.031 -2.070 6.738 1.00 0.00 C ATOM 895 CD2 PHE A 55 10.941 -1.337 4.428 1.00 0.00 C ATOM 896 CE1 PHE A 55 12.199 -1.321 6.929 1.00 0.00 C ATOM 897 CE2 PHE A 55 12.108 -0.589 4.620 1.00 0.00 C ATOM 898 CZ PHE A 55 12.737 -0.581 5.870 1.00 0.00 C ATOM 0 H PHE A 55 8.679 -4.471 3.536 1.00 0.00 H new ATOM 0 HA PHE A 55 10.462 -4.521 5.886 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.763 -2.742 4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.365 -2.549 5.969 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.616 -2.641 7.556 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.456 -1.343 3.463 1.00 0.00 H new ATOM 0 HE1 PHE A 55 12.685 -1.315 7.894 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.523 -0.018 3.803 1.00 0.00 H new ATOM 0 HZ PHE A 55 13.638 -0.004 6.017 1.00 0.00 H new ATOM 908 N ASN A 56 8.997 -5.157 7.776 1.00 0.00 N ATOM 909 CA ASN A 56 8.137 -5.730 8.854 1.00 0.00 C ATOM 910 C ASN A 56 6.890 -4.867 9.064 1.00 0.00 C ATOM 911 O ASN A 56 5.892 -5.320 9.586 1.00 0.00 O ATOM 912 CB ASN A 56 9.014 -5.716 10.105 1.00 0.00 C ATOM 913 CG ASN A 56 8.149 -5.986 11.337 1.00 0.00 C ATOM 914 OD1 ASN A 56 7.227 -6.908 11.283 1.00 0.00 O flip ATOM 915 ND2 ASN A 56 8.314 -5.353 12.361 1.00 0.00 N flip ATOM 0 H ASN A 56 9.958 -4.954 8.051 1.00 0.00 H new ATOM 0 HA ASN A 56 7.786 -6.732 8.609 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.795 -6.472 10.023 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.513 -4.752 10.202 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.034 -4.632 12.404 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.732 -5.543 13.177 1.00 0.00 H new ATOM 922 N ARG A 57 6.941 -3.625 8.670 1.00 0.00 N ATOM 923 CA ARG A 57 5.757 -2.735 8.858 1.00 0.00 C ATOM 924 C ARG A 57 4.625 -3.131 7.905 1.00 0.00 C ATOM 925 O ARG A 57 3.473 -3.182 8.288 1.00 0.00 O ATOM 926 CB ARG A 57 6.264 -1.331 8.533 1.00 0.00 C ATOM 927 CG ARG A 57 7.308 -0.913 9.569 1.00 0.00 C ATOM 928 CD ARG A 57 6.683 0.078 10.554 1.00 0.00 C ATOM 929 NE ARG A 57 7.019 -0.458 11.903 1.00 0.00 N ATOM 930 CZ ARG A 57 6.912 0.307 12.955 1.00 0.00 C ATOM 931 NH1 ARG A 57 6.514 1.545 12.829 1.00 0.00 N ATOM 932 NH2 ARG A 57 7.205 -0.166 14.136 1.00 0.00 N ATOM 0 H ARG A 57 7.748 -3.187 8.227 1.00 0.00 H new ATOM 0 HA ARG A 57 5.352 -2.803 9.868 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.700 -1.312 7.534 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.434 -0.624 8.532 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.677 -1.789 10.103 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.165 -0.457 9.073 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.087 1.081 10.415 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.604 0.147 10.414 1.00 0.00 H new ATOM 0 HE ARG A 57 7.333 -1.423 12.004 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.286 1.916 11.907 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.431 2.140 13.653 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.517 -1.132 14.235 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.122 0.430 14.959 1.00 0.00 H new ATOM 946 N LEU A 58 4.936 -3.403 6.667 1.00 0.00 N ATOM 947 CA LEU A 58 3.864 -3.783 5.701 1.00 0.00 C ATOM 948 C LEU A 58 4.006 -5.249 5.283 1.00 0.00 C ATOM 949 O LEU A 58 3.029 -5.958 5.141 1.00 0.00 O ATOM 950 CB LEU A 58 4.070 -2.861 4.498 1.00 0.00 C ATOM 951 CG LEU A 58 2.755 -2.728 3.727 1.00 0.00 C ATOM 952 CD1 LEU A 58 2.923 -1.705 2.601 1.00 0.00 C ATOM 953 CD2 LEU A 58 2.378 -4.084 3.127 1.00 0.00 C ATOM 0 H LEU A 58 5.881 -3.379 6.283 1.00 0.00 H new ATOM 0 HA LEU A 58 2.869 -3.678 6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.409 -1.880 4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.847 -3.263 3.847 1.00 0.00 H new ATOM 0 HG LEU A 58 1.969 -2.397 4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.986 -1.611 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.194 -0.738 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.709 -2.037 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.441 -3.991 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.165 -4.413 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.258 -4.815 3.927 1.00 0.00 H new ATOM 965 N ASN A 59 5.209 -5.711 5.076 1.00 0.00 N ATOM 966 CA ASN A 59 5.393 -7.132 4.659 1.00 0.00 C ATOM 967 C ASN A 59 4.728 -8.071 5.671 1.00 0.00 C ATOM 968 O ASN A 59 4.259 -9.137 5.327 1.00 0.00 O ATOM 969 CB ASN A 59 6.911 -7.345 4.619 1.00 0.00 C ATOM 970 CG ASN A 59 7.383 -8.048 5.896 1.00 0.00 C ATOM 971 OD1 ASN A 59 8.089 -7.467 6.696 1.00 0.00 O ATOM 972 ND2 ASN A 59 7.025 -9.283 6.119 1.00 0.00 N ATOM 0 H ASN A 59 6.068 -5.171 5.177 1.00 0.00 H new ATOM 0 HA ASN A 59 4.935 -7.344 3.693 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.178 -7.942 3.747 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.417 -6.385 4.516 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.338 -9.760 6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.432 -9.771 5.448 1.00 0.00 H new ATOM 979 N ARG A 60 4.682 -7.681 6.915 1.00 0.00 N ATOM 980 CA ARG A 60 4.046 -8.552 7.945 1.00 0.00 C ATOM 981 C ARG A 60 2.579 -8.808 7.587 1.00 0.00 C ATOM 982 O ARG A 60 2.089 -9.915 7.689 1.00 0.00 O ATOM 983 CB ARG A 60 4.150 -7.762 9.250 1.00 0.00 C ATOM 984 CG ARG A 60 3.526 -8.572 10.389 1.00 0.00 C ATOM 985 CD ARG A 60 4.320 -9.865 10.590 1.00 0.00 C ATOM 986 NE ARG A 60 3.564 -10.619 11.628 1.00 0.00 N ATOM 987 CZ ARG A 60 2.449 -11.224 11.314 1.00 0.00 C ATOM 988 NH1 ARG A 60 1.998 -11.170 10.090 1.00 0.00 N ATOM 989 NH2 ARG A 60 1.785 -11.881 12.225 1.00 0.00 N ATOM 0 H ARG A 60 5.056 -6.798 7.263 1.00 0.00 H new ATOM 0 HA ARG A 60 4.529 -9.526 8.019 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.194 -7.545 9.474 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.640 -6.804 9.149 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.526 -7.986 11.308 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.486 -8.803 10.158 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.392 -10.433 9.663 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.339 -9.657 10.916 1.00 0.00 H new ATOM 0 HE ARG A 60 3.916 -10.663 12.584 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.516 -10.655 9.378 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.128 -11.643 9.846 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.136 -11.922 13.182 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.915 -12.353 11.980 1.00 0.00 H new ATOM 1003 N LEU A 61 1.875 -7.791 7.168 1.00 0.00 N ATOM 1004 CA LEU A 61 0.440 -7.976 6.805 1.00 0.00 C ATOM 1005 C LEU A 61 0.301 -8.192 5.295 1.00 0.00 C ATOM 1006 O LEU A 61 1.128 -8.828 4.670 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.246 -6.677 7.225 1.00 0.00 C ATOM 1008 CG LEU A 61 0.027 -6.412 8.706 1.00 0.00 C ATOM 1009 CD1 LEU A 61 0.523 -4.977 8.886 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -1.265 -6.606 9.505 1.00 0.00 C ATOM 0 H LEU A 61 2.231 -6.841 7.061 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.001 -8.845 7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.123 -5.847 6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.319 -6.747 7.049 1.00 0.00 H new ATOM 0 HG LEU A 61 0.786 -7.107 9.064 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.717 -4.789 9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.442 -4.836 8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.236 -4.282 8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.072 -6.417 10.561 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.023 -5.911 9.145 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.621 -7.628 9.378 1.00 0.00 H new ATOM 1022 N THR A 62 -0.738 -7.668 4.704 1.00 0.00 N ATOM 1023 CA THR A 62 -0.929 -7.843 3.237 1.00 0.00 C ATOM 1024 C THR A 62 0.399 -7.641 2.502 1.00 0.00 C ATOM 1025 O THR A 62 1.173 -6.763 2.829 1.00 0.00 O ATOM 1026 CB THR A 62 -1.936 -6.762 2.836 1.00 0.00 C ATOM 1027 OG1 THR A 62 -3.244 -7.176 3.205 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.876 -6.539 1.323 1.00 0.00 C ATOM 0 H THR A 62 -1.463 -7.126 5.174 1.00 0.00 H new ATOM 0 HA THR A 62 -1.282 -8.842 2.983 1.00 0.00 H new ATOM 0 HB THR A 62 -1.691 -5.831 3.347 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.343 -7.117 4.178 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.594 -5.769 1.040 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.872 -6.220 1.042 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.119 -7.469 0.808 1.00 0.00 H new ATOM 1036 N THR A 63 0.669 -8.447 1.512 1.00 0.00 N ATOM 1037 CA THR A 63 1.946 -8.300 0.757 1.00 0.00 C ATOM 1038 C THR A 63 1.714 -8.574 -0.732 1.00 0.00 C ATOM 1039 O THR A 63 2.646 -8.720 -1.498 1.00 0.00 O ATOM 1040 CB THR A 63 2.886 -9.350 1.353 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.182 -10.127 2.311 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.068 -8.653 2.027 1.00 0.00 C ATOM 0 H THR A 63 0.061 -9.201 1.193 1.00 0.00 H new ATOM 0 HA THR A 63 2.357 -7.294 0.837 1.00 0.00 H new ATOM 0 HB THR A 63 3.254 -10.000 0.560 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.016 -9.587 3.112 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.738 -9.401 2.452 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.608 -8.059 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.702 -8.002 2.821 1.00 0.00 H new ATOM 1050 N ASP A 64 0.480 -8.647 -1.146 1.00 0.00 N ATOM 1051 CA ASP A 64 0.192 -8.914 -2.584 1.00 0.00 C ATOM 1052 C ASP A 64 0.350 -7.631 -3.405 1.00 0.00 C ATOM 1053 O ASP A 64 -0.521 -6.785 -3.422 1.00 0.00 O ATOM 1054 CB ASP A 64 -1.258 -9.396 -2.616 1.00 0.00 C ATOM 1055 CG ASP A 64 -1.289 -10.924 -2.568 1.00 0.00 C ATOM 1056 OD1 ASP A 64 -0.861 -11.536 -3.533 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -1.740 -11.458 -1.568 1.00 0.00 O ATOM 0 H ASP A 64 -0.341 -8.534 -0.552 1.00 0.00 H new ATOM 0 HA ASP A 64 0.875 -9.649 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.808 -8.984 -1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.751 -9.040 -3.521 1.00 0.00 H new ATOM 1062 N PHE A 65 1.454 -7.485 -4.089 1.00 0.00 N ATOM 1063 CA PHE A 65 1.670 -6.261 -4.914 1.00 0.00 C ATOM 1064 C PHE A 65 0.357 -5.831 -5.574 1.00 0.00 C ATOM 1065 O PHE A 65 0.032 -4.661 -5.627 1.00 0.00 O ATOM 1066 CB PHE A 65 2.682 -6.682 -5.980 1.00 0.00 C ATOM 1067 CG PHE A 65 4.065 -6.201 -5.606 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.370 -5.887 -4.274 1.00 0.00 C ATOM 1069 CD2 PHE A 65 5.048 -6.076 -6.595 1.00 0.00 C ATOM 1070 CE1 PHE A 65 5.655 -5.447 -3.937 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.332 -5.635 -6.257 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.636 -5.321 -4.929 1.00 0.00 C ATOM 0 H PHE A 65 2.217 -8.162 -4.112 1.00 0.00 H new ATOM 0 HA PHE A 65 2.022 -5.418 -4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.682 -7.767 -6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.395 -6.270 -6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.614 -5.985 -3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.815 -6.320 -7.621 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.891 -5.204 -2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.088 -5.537 -7.022 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.627 -4.981 -4.668 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.393 -6.767 -6.087 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.678 -6.411 -6.751 1.00 0.00 C ATOM 1084 C ASN A 66 -2.721 -5.973 -5.719 1.00 0.00 C ATOM 1085 O ASN A 66 -3.431 -5.007 -5.918 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.127 -7.693 -7.454 1.00 0.00 C ATOM 1087 CG ASN A 66 -1.922 -7.548 -8.962 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -1.038 -8.158 -9.528 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -2.709 -6.760 -9.643 1.00 0.00 N ATOM 0 H ASN A 66 -0.171 -7.763 -6.075 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.560 -5.579 -7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.558 -8.544 -7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.177 -7.891 -7.237 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.581 -6.657 -10.650 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.452 -6.247 -9.168 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.821 -6.665 -4.614 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.818 -6.271 -3.576 1.00 0.00 C ATOM 1098 C VAL A 67 -3.377 -4.988 -2.868 1.00 0.00 C ATOM 1099 O VAL A 67 -4.162 -4.092 -2.634 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.847 -7.441 -2.594 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.932 -7.200 -1.543 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -4.149 -8.735 -3.352 1.00 0.00 C ATOM 0 H VAL A 67 -2.257 -7.484 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.800 -6.070 -4.005 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.878 -7.526 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.952 -8.035 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.717 -6.278 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.901 -7.115 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.170 -9.570 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.117 -8.650 -3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.375 -8.908 -4.100 1.00 0.00 H new ATOM 1112 N ILE A 68 -2.122 -4.904 -2.515 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.622 -3.690 -1.808 1.00 0.00 C ATOM 1114 C ILE A 68 -1.765 -2.462 -2.702 1.00 0.00 C ATOM 1115 O ILE A 68 -2.247 -1.427 -2.286 1.00 0.00 O ATOM 1116 CB ILE A 68 -0.147 -3.986 -1.540 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.427 -2.918 -0.602 1.00 0.00 C ATOM 1118 CG2 ILE A 68 0.631 -3.994 -2.858 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.822 -2.504 -1.078 1.00 0.00 C ATOM 0 H ILE A 68 -1.421 -5.625 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.176 -3.480 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.056 -4.965 -1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.232 -2.050 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.480 -3.305 0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.682 -4.206 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.224 -4.762 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.542 -3.020 -3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.225 -1.745 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.479 -3.374 -1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.756 -2.098 -2.088 1.00 0.00 H new ATOM 1131 N VAL A 69 -1.355 -2.575 -3.929 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.469 -1.419 -4.864 1.00 0.00 C ATOM 1133 C VAL A 69 -2.942 -1.058 -5.073 1.00 0.00 C ATOM 1134 O VAL A 69 -3.293 0.095 -5.228 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.845 -1.904 -6.172 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -1.268 -0.981 -7.316 1.00 0.00 C ATOM 1137 CG2 VAL A 69 0.680 -1.889 -6.044 1.00 0.00 C ATOM 0 H VAL A 69 -0.944 -3.418 -4.330 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.972 -0.527 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.185 -2.918 -6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.822 -1.329 -8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.354 -0.990 -7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.930 0.034 -7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.127 -2.235 -6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.018 -0.874 -5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.983 -2.548 -5.230 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.805 -2.038 -5.078 1.00 0.00 N ATOM 1148 CA GLU A 70 -5.255 -1.752 -5.276 1.00 0.00 C ATOM 1149 C GLU A 70 -5.755 -0.795 -4.191 1.00 0.00 C ATOM 1150 O GLU A 70 -6.487 0.137 -4.462 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.946 -3.111 -5.154 1.00 0.00 C ATOM 1152 CG GLU A 70 -6.855 -3.331 -6.364 1.00 0.00 C ATOM 1153 CD GLU A 70 -7.382 -4.768 -6.352 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -8.220 -5.063 -5.516 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -6.937 -5.548 -7.177 1.00 0.00 O ATOM 0 H GLU A 70 -3.569 -3.023 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.457 -1.278 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.202 -3.905 -5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.530 -3.153 -4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.687 -2.627 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.304 -3.142 -7.285 1.00 0.00 H new ATOM 1162 N ALA A 71 -5.364 -1.014 -2.966 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.817 -0.112 -1.868 1.00 0.00 C ATOM 1164 C ALA A 71 -5.307 1.309 -2.120 1.00 0.00 C ATOM 1165 O ALA A 71 -5.964 2.281 -1.805 1.00 0.00 O ATOM 1166 CB ALA A 71 -5.195 -0.689 -0.596 1.00 0.00 C ATOM 0 H ALA A 71 -4.752 -1.777 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.903 -0.056 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.483 -0.078 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.549 -1.709 -0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.109 -0.692 -0.691 1.00 0.00 H new ATOM 1172 N LEU A 72 -4.138 1.437 -2.687 1.00 0.00 N ATOM 1173 CA LEU A 72 -3.585 2.795 -2.963 1.00 0.00 C ATOM 1174 C LEU A 72 -4.316 3.429 -4.148 1.00 0.00 C ATOM 1175 O LEU A 72 -4.429 4.634 -4.251 1.00 0.00 O ATOM 1176 CB LEU A 72 -2.109 2.576 -3.310 1.00 0.00 C ATOM 1177 CG LEU A 72 -1.512 1.481 -2.421 1.00 0.00 C ATOM 1178 CD1 LEU A 72 0.014 1.534 -2.508 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -1.943 1.705 -0.968 1.00 0.00 C ATOM 0 H LEU A 72 -3.541 0.660 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.705 3.463 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.013 2.295 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.555 3.505 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.867 0.507 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.442 0.756 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.325 1.375 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.364 2.509 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.517 0.925 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.589 2.679 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.030 1.671 -0.902 1.00 0.00 H new ATOM 1191 N SER A 73 -4.806 2.622 -5.051 1.00 0.00 N ATOM 1192 CA SER A 73 -5.519 3.172 -6.239 1.00 0.00 C ATOM 1193 C SER A 73 -6.863 3.783 -5.833 1.00 0.00 C ATOM 1194 O SER A 73 -7.367 4.676 -6.486 1.00 0.00 O ATOM 1195 CB SER A 73 -5.735 1.971 -7.158 1.00 0.00 C ATOM 1196 OG SER A 73 -7.004 2.085 -7.788 1.00 0.00 O ATOM 0 H SER A 73 -4.743 1.605 -5.017 1.00 0.00 H new ATOM 0 HA SER A 73 -4.951 3.966 -6.723 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.946 1.926 -7.909 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.682 1.045 -6.585 1.00 0.00 H new ATOM 0 HG SER A 73 -7.146 1.317 -8.380 1.00 0.00 H new ATOM 1301 N MET A 80 1.357 10.735 -1.291 1.00 0.00 N ATOM 1302 CA MET A 80 2.548 10.843 -2.180 1.00 0.00 C ATOM 1303 C MET A 80 2.119 10.793 -3.648 1.00 0.00 C ATOM 1304 O MET A 80 0.968 10.999 -3.977 1.00 0.00 O ATOM 1305 CB MET A 80 3.410 9.628 -1.836 1.00 0.00 C ATOM 1306 CG MET A 80 4.540 10.049 -0.895 1.00 0.00 C ATOM 1307 SD MET A 80 5.899 8.858 -1.012 1.00 0.00 S ATOM 1308 CE MET A 80 4.887 7.367 -1.173 1.00 0.00 C ATOM 0 HA MET A 80 3.085 11.780 -2.036 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.799 8.858 -1.365 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.824 9.194 -2.746 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.893 11.046 -1.157 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.174 10.099 0.130 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.521 6.485 -1.082 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.132 7.353 -0.387 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.397 7.363 -2.147 1.00 0.00 H new ATOM 1318 N GLU A 81 3.037 10.515 -4.531 1.00 0.00 N ATOM 1319 CA GLU A 81 2.686 10.446 -5.977 1.00 0.00 C ATOM 1320 C GLU A 81 2.983 9.046 -6.518 1.00 0.00 C ATOM 1321 O GLU A 81 4.071 8.530 -6.363 1.00 0.00 O ATOM 1322 CB GLU A 81 3.580 11.485 -6.654 1.00 0.00 C ATOM 1323 CG GLU A 81 2.714 12.473 -7.437 1.00 0.00 C ATOM 1324 CD GLU A 81 1.969 11.729 -8.548 1.00 0.00 C ATOM 1325 OE1 GLU A 81 2.590 10.909 -9.204 1.00 0.00 O ATOM 1326 OE2 GLU A 81 0.791 11.994 -8.723 1.00 0.00 O ATOM 0 H GLU A 81 4.017 10.332 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 81 1.629 10.643 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.169 12.015 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.284 10.992 -7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.002 12.958 -6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.336 13.259 -7.865 1.00 0.00 H new ATOM 1333 N ILE A 82 2.024 8.426 -7.150 1.00 0.00 N ATOM 1334 CA ILE A 82 2.256 7.058 -7.696 1.00 0.00 C ATOM 1335 C ILE A 82 2.360 7.106 -9.222 1.00 0.00 C ATOM 1336 O ILE A 82 1.639 7.829 -9.881 1.00 0.00 O ATOM 1337 CB ILE A 82 1.032 6.248 -7.266 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.772 6.472 -5.775 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.290 4.762 -7.519 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.235 7.610 -5.597 1.00 0.00 C ATOM 0 H ILE A 82 1.092 8.806 -7.312 1.00 0.00 H new ATOM 0 HA ILE A 82 3.184 6.620 -7.330 1.00 0.00 H new ATOM 0 HB ILE A 82 0.163 6.570 -7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.388 5.558 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.704 6.714 -5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.418 4.184 -7.213 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.478 4.601 -8.581 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.159 4.440 -6.944 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.420 7.769 -4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.167 8.523 -6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.170 7.349 -6.093 1.00 0.00 H new ATOM 1352 N SER A 83 3.253 6.342 -9.789 1.00 0.00 N ATOM 1353 CA SER A 83 3.404 6.345 -11.272 1.00 0.00 C ATOM 1354 C SER A 83 2.195 5.674 -11.926 1.00 0.00 C ATOM 1355 O SER A 83 1.264 5.263 -11.261 1.00 0.00 O ATOM 1356 CB SER A 83 4.673 5.541 -11.542 1.00 0.00 C ATOM 1357 OG SER A 83 4.585 4.944 -12.830 1.00 0.00 O ATOM 0 H SER A 83 3.885 5.716 -9.290 1.00 0.00 H new ATOM 0 HA SER A 83 3.467 7.354 -11.679 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.547 6.190 -11.488 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.799 4.772 -10.780 1.00 0.00 H new ATOM 0 HG SER A 83 5.219 5.380 -13.437 1.00 0.00 H new ATOM 1363 N GLU A 84 2.198 5.562 -13.226 1.00 0.00 N ATOM 1364 CA GLU A 84 1.048 4.918 -13.922 1.00 0.00 C ATOM 1365 C GLU A 84 1.201 3.395 -13.911 1.00 0.00 C ATOM 1366 O GLU A 84 0.274 2.669 -14.209 1.00 0.00 O ATOM 1367 CB GLU A 84 1.104 5.453 -15.354 1.00 0.00 C ATOM 1368 CG GLU A 84 0.215 6.693 -15.472 1.00 0.00 C ATOM 1369 CD GLU A 84 -1.232 6.263 -15.718 1.00 0.00 C ATOM 1370 OE1 GLU A 84 -1.424 5.253 -16.374 1.00 0.00 O ATOM 1371 OE2 GLU A 84 -2.122 6.951 -15.247 1.00 0.00 O ATOM 0 H GLU A 84 2.947 5.889 -13.836 1.00 0.00 H new ATOM 0 HA GLU A 84 0.097 5.141 -13.438 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.131 5.702 -15.620 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.771 4.686 -16.053 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.279 7.287 -14.560 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.561 7.325 -16.289 1.00 0.00 H new ATOM 1378 N ASP A 85 2.364 2.902 -13.577 1.00 0.00 N ATOM 1379 CA ASP A 85 2.564 1.423 -13.557 1.00 0.00 C ATOM 1380 C ASP A 85 1.855 0.804 -12.348 1.00 0.00 C ATOM 1381 O ASP A 85 1.686 -0.397 -12.266 1.00 0.00 O ATOM 1382 CB ASP A 85 4.076 1.231 -13.449 1.00 0.00 C ATOM 1383 CG ASP A 85 4.569 0.379 -14.620 1.00 0.00 C ATOM 1384 OD1 ASP A 85 4.516 -0.836 -14.508 1.00 0.00 O ATOM 1385 OD2 ASP A 85 4.992 0.955 -15.609 1.00 0.00 O ATOM 0 H ASP A 85 3.180 3.456 -13.318 1.00 0.00 H new ATOM 0 HA ASP A 85 2.153 0.940 -14.443 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.577 2.199 -13.454 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.325 0.748 -12.504 1.00 0.00 H new ATOM 1390 N LYS A 86 1.437 1.610 -11.412 1.00 0.00 N ATOM 1391 CA LYS A 86 0.736 1.063 -10.213 1.00 0.00 C ATOM 1392 C LYS A 86 1.647 0.092 -9.455 1.00 0.00 C ATOM 1393 O LYS A 86 1.186 -0.771 -8.734 1.00 0.00 O ATOM 1394 CB LYS A 86 -0.481 0.324 -10.771 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.747 0.817 -10.067 1.00 0.00 C ATOM 1396 CD LYS A 86 -2.917 0.808 -11.054 1.00 0.00 C ATOM 1397 CE LYS A 86 -2.933 -0.518 -11.818 1.00 0.00 C ATOM 1398 NZ LYS A 86 -3.967 -0.341 -12.874 1.00 0.00 N ATOM 0 H LYS A 86 1.550 2.624 -11.424 1.00 0.00 H new ATOM 0 HA LYS A 86 0.456 1.847 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.561 0.493 -11.845 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.366 -0.750 -10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.973 0.178 -9.213 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.592 1.824 -9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.858 0.943 -10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.824 1.640 -11.752 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.957 -0.735 -12.253 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.180 -1.350 -11.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.037 -1.210 -13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.886 -0.143 -12.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.702 0.454 -13.490 1.00 0.00 H new ATOM 1412 N THR A 87 2.937 0.220 -9.615 1.00 0.00 N ATOM 1413 CA THR A 87 3.866 -0.706 -8.902 1.00 0.00 C ATOM 1414 C THR A 87 5.054 0.064 -8.314 1.00 0.00 C ATOM 1415 O THR A 87 6.157 -0.440 -8.248 1.00 0.00 O ATOM 1416 CB THR A 87 4.344 -1.686 -9.974 1.00 0.00 C ATOM 1417 OG1 THR A 87 5.086 -0.982 -10.959 1.00 0.00 O ATOM 1418 CG2 THR A 87 3.136 -2.362 -10.627 1.00 0.00 C ATOM 0 H THR A 87 3.386 0.921 -10.205 1.00 0.00 H new ATOM 0 HA THR A 87 3.378 -1.211 -8.068 1.00 0.00 H new ATOM 0 HB THR A 87 4.977 -2.446 -9.516 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.395 -1.609 -11.646 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.479 -3.060 -11.391 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.568 -2.903 -9.870 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.500 -1.605 -11.086 1.00 0.00 H new ATOM 1426 N LYS A 88 4.842 1.280 -7.887 1.00 0.00 N ATOM 1427 CA LYS A 88 5.969 2.068 -7.309 1.00 0.00 C ATOM 1428 C LYS A 88 5.435 3.239 -6.471 1.00 0.00 C ATOM 1429 O LYS A 88 4.331 3.706 -6.669 1.00 0.00 O ATOM 1430 CB LYS A 88 6.765 2.569 -8.517 1.00 0.00 C ATOM 1431 CG LYS A 88 6.227 3.929 -8.971 1.00 0.00 C ATOM 1432 CD LYS A 88 7.019 4.409 -10.189 1.00 0.00 C ATOM 1433 CE LYS A 88 6.658 3.553 -11.406 1.00 0.00 C ATOM 1434 NZ LYS A 88 7.861 2.712 -11.655 1.00 0.00 N ATOM 0 H LYS A 88 3.942 1.760 -7.913 1.00 0.00 H new ATOM 0 HA LYS A 88 6.588 1.472 -6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.820 2.654 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.694 1.850 -9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.169 3.849 -9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.310 4.654 -8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.797 5.457 -10.390 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.088 4.343 -9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.780 2.938 -11.210 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.425 4.174 -12.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.598 1.894 -12.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.582 3.275 -12.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.245 2.378 -10.748 1.00 0.00 H new ATOM 1448 N ILE A 89 6.219 3.718 -5.541 1.00 0.00 N ATOM 1449 CA ILE A 89 5.774 4.862 -4.692 1.00 0.00 C ATOM 1450 C ILE A 89 6.871 5.929 -4.650 1.00 0.00 C ATOM 1451 O ILE A 89 8.047 5.624 -4.701 1.00 0.00 O ATOM 1452 CB ILE A 89 5.550 4.262 -3.305 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.868 3.685 -2.782 1.00 0.00 C ATOM 1454 CG2 ILE A 89 4.508 3.147 -3.398 1.00 0.00 C ATOM 1455 CD1 ILE A 89 6.618 2.953 -1.462 1.00 0.00 C ATOM 0 H ILE A 89 7.153 3.364 -5.332 1.00 0.00 H new ATOM 0 HA ILE A 89 4.872 5.342 -5.073 1.00 0.00 H new ATOM 0 HB ILE A 89 5.196 5.036 -2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 89 7.293 3.000 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.594 4.485 -2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.346 2.717 -2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.570 3.556 -3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.864 2.372 -4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 89 7.557 2.542 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.212 3.651 -0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.907 2.143 -1.624 1.00 0.00 H new ATOM 1467 N ARG A 90 6.503 7.179 -4.570 1.00 0.00 N ATOM 1468 CA ARG A 90 7.537 8.255 -4.541 1.00 0.00 C ATOM 1469 C ARG A 90 7.032 9.472 -3.757 1.00 0.00 C ATOM 1470 O ARG A 90 5.844 9.677 -3.607 1.00 0.00 O ATOM 1471 CB ARG A 90 7.765 8.618 -6.010 1.00 0.00 C ATOM 1472 CG ARG A 90 8.506 9.952 -6.099 1.00 0.00 C ATOM 1473 CD ARG A 90 9.053 10.139 -7.515 1.00 0.00 C ATOM 1474 NE ARG A 90 8.084 11.052 -8.184 1.00 0.00 N ATOM 1475 CZ ARG A 90 8.443 11.727 -9.242 1.00 0.00 C ATOM 1476 NH1 ARG A 90 9.651 11.601 -9.720 1.00 0.00 N ATOM 1477 NH2 ARG A 90 7.592 12.526 -9.824 1.00 0.00 N ATOM 0 H ARG A 90 5.536 7.501 -4.524 1.00 0.00 H new ATOM 0 HA ARG A 90 8.454 7.929 -4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.343 7.836 -6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.810 8.685 -6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.833 10.771 -5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.322 9.976 -5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.054 10.570 -7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.125 9.186 -8.040 1.00 0.00 H new ATOM 0 HE ARG A 90 7.138 11.150 -7.815 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.316 10.974 -9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.930 12.129 -10.547 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.647 12.623 -9.452 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.871 13.054 -10.651 1.00 0.00 H new ATOM 1491 N ARG A 91 7.929 10.294 -3.280 1.00 0.00 N ATOM 1492 CA ARG A 91 7.512 11.514 -2.529 1.00 0.00 C ATOM 1493 C ARG A 91 7.628 12.728 -3.453 1.00 0.00 C ATOM 1494 O ARG A 91 8.589 12.870 -4.181 1.00 0.00 O ATOM 1495 CB ARG A 91 8.489 11.627 -1.352 1.00 0.00 C ATOM 1496 CG ARG A 91 8.442 13.047 -0.766 1.00 0.00 C ATOM 1497 CD ARG A 91 7.538 13.069 0.472 1.00 0.00 C ATOM 1498 NE ARG A 91 6.177 13.378 -0.054 1.00 0.00 N ATOM 1499 CZ ARG A 91 5.115 13.009 0.611 1.00 0.00 C ATOM 1500 NH1 ARG A 91 5.237 12.373 1.744 1.00 0.00 N ATOM 1501 NH2 ARG A 91 3.928 13.282 0.141 1.00 0.00 N ATOM 0 H ARG A 91 8.937 10.172 -3.379 1.00 0.00 H new ATOM 0 HA ARG A 91 6.482 11.463 -2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.231 10.899 -0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.501 11.395 -1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.447 13.374 -0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.067 13.746 -1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.553 12.110 0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.866 13.823 1.188 1.00 0.00 H new ATOM 0 HE ARG A 91 6.075 13.879 -0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.164 12.162 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.405 12.087 2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.832 13.782 -0.743 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.097 12.995 0.658 1.00 0.00 H new ATOM 1515 N SER A 92 6.660 13.599 -3.438 1.00 0.00 N ATOM 1516 CA SER A 92 6.728 14.793 -4.328 1.00 0.00 C ATOM 1517 C SER A 92 7.901 15.688 -3.920 1.00 0.00 C ATOM 1518 O SER A 92 7.864 16.326 -2.887 1.00 0.00 O ATOM 1519 CB SER A 92 5.401 15.518 -4.121 1.00 0.00 C ATOM 1520 OG SER A 92 4.337 14.691 -4.578 1.00 0.00 O ATOM 0 H SER A 92 5.828 13.538 -2.852 1.00 0.00 H new ATOM 0 HA SER A 92 6.884 14.523 -5.372 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.264 15.756 -3.066 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.401 16.463 -4.664 1.00 0.00 H new ATOM 0 HG SER A 92 3.764 15.202 -5.187 1.00 0.00 H new ATOM 1526 N PRO A 93 8.907 15.703 -4.753 1.00 0.00 N ATOM 1527 CA PRO A 93 10.109 16.529 -4.478 1.00 0.00 C ATOM 1528 C PRO A 93 9.739 18.012 -4.513 1.00 0.00 C ATOM 1529 O PRO A 93 10.376 18.839 -3.891 1.00 0.00 O ATOM 1530 CB PRO A 93 11.067 16.183 -5.618 1.00 0.00 C ATOM 1531 CG PRO A 93 10.215 15.578 -6.689 1.00 0.00 C ATOM 1532 CD PRO A 93 9.017 14.966 -6.015 1.00 0.00 C ATOM 0 HA PRO A 93 10.546 16.337 -3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.581 17.073 -5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.835 15.484 -5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.906 16.336 -7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.772 14.822 -7.242 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.118 15.076 -6.621 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.157 13.899 -5.843 1.00 0.00 H new ATOM 1540 N SER A 94 8.710 18.349 -5.238 1.00 0.00 N ATOM 1541 CA SER A 94 8.285 19.773 -5.319 1.00 0.00 C ATOM 1542 C SER A 94 7.173 20.042 -4.305 1.00 0.00 C ATOM 1543 O SER A 94 6.611 21.117 -4.255 1.00 0.00 O ATOM 1544 CB SER A 94 7.756 19.939 -6.739 1.00 0.00 C ATOM 1545 OG SER A 94 8.784 19.616 -7.666 1.00 0.00 O ATOM 0 H SER A 94 8.143 17.697 -5.780 1.00 0.00 H new ATOM 0 HA SER A 94 9.098 20.465 -5.099 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.893 19.292 -6.896 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.418 20.963 -6.896 1.00 0.00 H new ATOM 0 HG SER A 94 8.445 19.720 -8.580 1.00 0.00 H new ATOM 1551 N LYS A 95 6.861 19.075 -3.488 1.00 0.00 N ATOM 1552 CA LYS A 95 5.795 19.275 -2.466 1.00 0.00 C ATOM 1553 C LYS A 95 6.382 19.115 -1.061 1.00 0.00 C ATOM 1554 O LYS A 95 7.162 18.217 -0.813 1.00 0.00 O ATOM 1555 CB LYS A 95 4.763 18.183 -2.744 1.00 0.00 C ATOM 1556 CG LYS A 95 3.372 18.682 -2.349 1.00 0.00 C ATOM 1557 CD LYS A 95 2.310 17.905 -3.128 1.00 0.00 C ATOM 1558 CE LYS A 95 2.306 16.445 -2.670 1.00 0.00 C ATOM 1559 NZ LYS A 95 0.868 16.054 -2.645 1.00 0.00 N ATOM 0 H LYS A 95 7.298 18.154 -3.484 1.00 0.00 H new ATOM 0 HA LYS A 95 5.353 20.270 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.778 17.914 -3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.011 17.282 -2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.219 18.553 -1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.284 19.748 -2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.328 18.350 -2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.515 17.961 -4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.875 15.815 -3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.761 16.339 -1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.783 15.063 -2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.353 16.666 -1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.463 16.159 -3.597 1.00 0.00 H new ATOM 1573 N PRO A 96 5.982 19.995 -0.188 1.00 0.00 N ATOM 1574 CA PRO A 96 6.466 19.958 1.213 1.00 0.00 C ATOM 1575 C PRO A 96 5.916 18.733 1.945 1.00 0.00 C ATOM 1576 O PRO A 96 4.829 18.266 1.668 1.00 0.00 O ATOM 1577 CB PRO A 96 5.922 21.232 1.837 1.00 0.00 C ATOM 1578 CG PRO A 96 4.780 21.648 0.962 1.00 0.00 C ATOM 1579 CD PRO A 96 5.048 21.100 -0.418 1.00 0.00 C ATOM 0 HA PRO A 96 7.553 19.893 1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.589 21.057 2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.687 22.007 1.879 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.838 21.263 1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.694 22.734 0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.131 20.754 -0.895 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.480 21.858 -1.071 1.00 0.00 H new ATOM 1587 N LEU A 97 6.648 18.233 2.896 1.00 0.00 N ATOM 1588 CA LEU A 97 6.162 17.065 3.670 1.00 0.00 C ATOM 1589 C LEU A 97 5.797 17.547 5.067 1.00 0.00 C ATOM 1590 O LEU A 97 6.618 18.060 5.801 1.00 0.00 O ATOM 1591 CB LEU A 97 7.293 16.035 3.694 1.00 0.00 C ATOM 1592 CG LEU A 97 8.130 16.188 4.963 1.00 0.00 C ATOM 1593 CD1 LEU A 97 7.367 15.589 6.147 1.00 0.00 C ATOM 1594 CD2 LEU A 97 9.463 15.453 4.792 1.00 0.00 C ATOM 0 H LEU A 97 7.565 18.585 3.171 1.00 0.00 H new ATOM 0 HA LEU A 97 5.278 16.604 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.877 15.029 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.927 16.161 2.816 1.00 0.00 H new ATOM 0 HG LEU A 97 8.322 17.245 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.961 15.696 7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.418 16.112 6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.177 14.532 5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.058 15.564 5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.274 14.395 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.006 15.876 3.947 1.00 0.00 H new