USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 401 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 21 THR OG1 : rot -28:sc= 0.327 USER MOD Single : A 22 TYR OH : rot -140:sc= 0.275 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.38 USER MOD Single : A 33 ASN : amide:sc=-0.00152 X(o=-0.0015,f=-0.0028) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -71:sc= 0.713 USER MOD Single : A 45 GLN : amide:sc= 0.0368 K(o=0.037,f=-0.61) USER MOD Single : A 46 THR OG1 : rot -47:sc= 1.81 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.28 K(o=-1.3,f=-5.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.455 USER MOD Single : A 57 GLN : amide:sc= 1.48 K(o=1.5,f=-5.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0463 K(o=-0.046,f=-0.64) USER MOD Single : A 62 CYS SG : rot 57:sc= -0.169 USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 2.38 (180deg=2.22) USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00844) USER MOD ----------------------------------------------------------------- ATOM 176 N THR A 21 6.650 6.528 -3.244 1.00 0.00 N ATOM 177 CA THR A 21 5.671 7.319 -2.605 1.00 0.00 C ATOM 178 C THR A 21 4.327 7.190 -3.270 1.00 0.00 C ATOM 179 O THR A 21 4.239 6.789 -4.446 1.00 0.00 O ATOM 180 CB THR A 21 6.113 8.766 -2.549 1.00 0.00 C ATOM 181 OG1 THR A 21 6.657 9.172 -3.823 1.00 0.00 O ATOM 182 CG2 THR A 21 7.126 8.989 -1.449 1.00 0.00 C ATOM 0 HA THR A 21 5.561 6.951 -1.585 1.00 0.00 H new ATOM 0 HB THR A 21 5.238 9.377 -2.326 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.033 8.392 -4.281 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.423 10.038 -1.435 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.684 8.724 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.002 8.366 -1.629 1.00 0.00 H new ATOM 190 N TYR A 22 3.280 7.464 -2.504 1.00 0.00 N ATOM 191 CA TYR A 22 1.916 7.340 -2.961 1.00 0.00 C ATOM 192 C TYR A 22 1.063 8.490 -2.449 1.00 0.00 C ATOM 193 O TYR A 22 1.330 9.038 -1.369 1.00 0.00 O ATOM 194 CB TYR A 22 1.325 6.017 -2.480 1.00 0.00 C ATOM 195 CG TYR A 22 1.992 4.806 -3.055 1.00 0.00 C ATOM 196 CD1 TYR A 22 1.514 4.221 -4.205 1.00 0.00 C ATOM 197 CD2 TYR A 22 3.129 4.275 -2.470 1.00 0.00 C ATOM 198 CE1 TYR A 22 2.146 3.154 -4.764 1.00 0.00 C ATOM 199 CE2 TYR A 22 3.766 3.202 -3.016 1.00 0.00 C ATOM 200 CZ TYR A 22 3.273 2.645 -4.172 1.00 0.00 C ATOM 201 OH TYR A 22 3.925 1.605 -4.766 1.00 0.00 O ATOM 0 H TYR A 22 3.362 7.782 -1.538 1.00 0.00 H new ATOM 0 HA TYR A 22 1.920 7.367 -4.051 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.393 5.975 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.265 5.991 -2.734 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.623 4.615 -4.671 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.517 4.719 -1.565 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.762 2.710 -5.670 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.648 2.793 -2.546 1.00 0.00 H new ATOM 0 HH TYR A 22 4.225 0.973 -4.080 1.00 0.00 H new ATOM 211 N ALA A 23 0.040 8.828 -3.208 1.00 0.00 N ATOM 212 CA ALA A 23 -0.879 9.898 -2.871 1.00 0.00 C ATOM 213 C ALA A 23 -2.216 9.308 -2.441 1.00 0.00 C ATOM 214 O ALA A 23 -2.578 8.207 -2.857 1.00 0.00 O ATOM 215 CB ALA A 23 -1.077 10.813 -4.073 1.00 0.00 C ATOM 0 H ALA A 23 -0.180 8.361 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.463 10.481 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.769 11.614 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.119 11.242 -4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.486 10.238 -4.904 1.00 0.00 H new ATOM 221 N LEU A 24 -2.921 10.012 -1.574 1.00 0.00 N ATOM 222 CA LEU A 24 -4.224 9.563 -1.089 1.00 0.00 C ATOM 223 C LEU A 24 -5.255 9.527 -2.198 1.00 0.00 C ATOM 224 O LEU A 24 -5.137 10.249 -3.203 1.00 0.00 O ATOM 225 CB LEU A 24 -4.733 10.417 0.070 1.00 0.00 C ATOM 226 CG LEU A 24 -3.743 10.623 1.205 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.341 11.413 2.344 1.00 0.00 C ATOM 228 CD2 LEU A 24 -3.182 9.310 1.692 1.00 0.00 C ATOM 0 H LEU A 24 -2.615 10.904 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.077 8.547 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.024 11.393 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.633 9.954 0.474 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.919 11.212 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.598 11.535 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.652 12.393 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.206 10.881 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.478 9.494 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.994 8.679 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.668 8.808 0.872 1.00 0.00 H new ATOM 240 N GLN A 25 -6.269 8.696 -1.994 1.00 0.00 N ATOM 241 CA GLN A 25 -7.404 8.495 -2.903 1.00 0.00 C ATOM 242 C GLN A 25 -6.957 7.823 -4.196 1.00 0.00 C ATOM 243 O GLN A 25 -7.677 7.810 -5.200 1.00 0.00 O ATOM 244 CB GLN A 25 -8.147 9.802 -3.185 1.00 0.00 C ATOM 245 CG GLN A 25 -8.596 10.544 -1.939 1.00 0.00 C ATOM 246 CD GLN A 25 -9.461 11.727 -2.277 1.00 0.00 C ATOM 247 OE1 GLN A 25 -8.962 12.839 -2.486 1.00 0.00 O ATOM 248 NE2 GLN A 25 -10.748 11.514 -2.324 1.00 0.00 N ATOM 0 H GLN A 25 -6.331 8.116 -1.157 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.107 7.829 -2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.500 10.456 -3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.021 9.585 -3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.147 9.864 -1.289 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.722 10.880 -1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.117 10.580 -2.145 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.384 12.281 -2.540 1.00 0.00 H new ATOM 257 N GLU A 26 -5.792 7.240 -4.155 1.00 0.00 N ATOM 258 CA GLU A 26 -5.255 6.549 -5.281 1.00 0.00 C ATOM 259 C GLU A 26 -5.445 5.055 -5.084 1.00 0.00 C ATOM 260 O GLU A 26 -5.346 4.557 -3.951 1.00 0.00 O ATOM 261 CB GLU A 26 -3.778 6.903 -5.488 1.00 0.00 C ATOM 262 CG GLU A 26 -3.181 6.323 -6.757 1.00 0.00 C ATOM 263 CD GLU A 26 -4.001 6.685 -7.974 1.00 0.00 C ATOM 264 OE1 GLU A 26 -3.764 7.739 -8.582 1.00 0.00 O ATOM 265 OE2 GLU A 26 -4.918 5.917 -8.341 1.00 0.00 O1- ATOM 0 H GLU A 26 -5.189 7.234 -3.332 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.786 6.857 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.674 7.988 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.205 6.546 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.162 6.691 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.120 5.238 -6.668 1.00 0.00 H new ATOM 272 N ASP A 27 -5.752 4.368 -6.160 1.00 0.00 N ATOM 273 CA ASP A 27 -5.998 2.936 -6.134 1.00 0.00 C ATOM 274 C ASP A 27 -4.708 2.229 -6.466 1.00 0.00 C ATOM 275 O ASP A 27 -4.088 2.503 -7.498 1.00 0.00 O ATOM 276 CB ASP A 27 -7.085 2.522 -7.146 1.00 0.00 C ATOM 277 CG ASP A 27 -8.421 3.192 -6.924 1.00 0.00 C ATOM 278 OD1 ASP A 27 -8.659 4.263 -7.533 1.00 0.00 O ATOM 279 OD2 ASP A 27 -9.281 2.659 -6.165 1.00 0.00 O1- ATOM 0 H ASP A 27 -5.840 4.786 -7.086 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.353 2.661 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.737 2.754 -8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.220 1.441 -7.097 1.00 0.00 H new ATOM 284 N VAL A 28 -4.306 1.341 -5.605 1.00 0.00 N ATOM 285 CA VAL A 28 -3.047 0.613 -5.716 1.00 0.00 C ATOM 286 C VAL A 28 -3.226 -0.828 -5.256 1.00 0.00 C ATOM 287 O VAL A 28 -4.120 -1.123 -4.455 1.00 0.00 O ATOM 288 CB VAL A 28 -1.944 1.284 -4.844 1.00 0.00 C ATOM 289 CG1 VAL A 28 -1.412 2.537 -5.501 1.00 0.00 C ATOM 290 CG2 VAL A 28 -2.528 1.654 -3.497 1.00 0.00 C ATOM 0 H VAL A 28 -4.849 1.086 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.743 0.631 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.125 0.574 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.644 2.982 -4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.982 2.285 -6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.226 3.249 -5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.759 2.124 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.355 2.350 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.891 0.755 -2.998 1.00 0.00 H new ATOM 300 N PHE A 29 -2.419 -1.726 -5.787 1.00 0.00 N ATOM 301 CA PHE A 29 -2.452 -3.110 -5.344 1.00 0.00 C ATOM 302 C PHE A 29 -1.577 -3.273 -4.115 1.00 0.00 C ATOM 303 O PHE A 29 -0.505 -2.671 -4.038 1.00 0.00 O ATOM 304 CB PHE A 29 -1.981 -4.089 -6.433 1.00 0.00 C ATOM 305 CG PHE A 29 -2.998 -4.457 -7.474 1.00 0.00 C ATOM 306 CD1 PHE A 29 -2.821 -4.106 -8.796 1.00 0.00 C ATOM 307 CD2 PHE A 29 -4.120 -5.188 -7.126 1.00 0.00 C ATOM 308 CE1 PHE A 29 -3.745 -4.474 -9.755 1.00 0.00 C ATOM 309 CE2 PHE A 29 -5.049 -5.555 -8.077 1.00 0.00 C ATOM 310 CZ PHE A 29 -4.860 -5.196 -9.394 1.00 0.00 C ATOM 0 H PHE A 29 -1.738 -1.527 -6.519 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.490 -3.349 -5.112 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.117 -3.654 -6.936 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.640 -5.004 -5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.950 -3.537 -9.085 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.270 -5.475 -6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.593 -4.195 -10.787 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.922 -6.122 -7.790 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.586 -5.481 -10.142 1.00 0.00 H new ATOM 320 N ILE A 30 -2.056 -4.054 -3.160 1.00 0.00 N ATOM 321 CA ILE A 30 -1.354 -4.362 -1.914 1.00 0.00 C ATOM 322 C ILE A 30 -1.204 -5.846 -1.802 1.00 0.00 C ATOM 323 O ILE A 30 -2.184 -6.586 -1.907 1.00 0.00 O ATOM 324 CB ILE A 30 -2.111 -3.844 -0.630 1.00 0.00 C ATOM 325 CG1 ILE A 30 -1.966 -2.341 -0.423 1.00 0.00 C ATOM 326 CG2 ILE A 30 -1.689 -4.588 0.640 1.00 0.00 C ATOM 327 CD1 ILE A 30 -2.504 -1.508 -1.534 1.00 0.00 C ATOM 0 H ILE A 30 -2.968 -4.506 -3.227 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.391 -3.854 -1.955 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.163 -4.057 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.474 -2.064 0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.910 -2.106 -0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.240 -4.193 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.906 -5.650 0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.620 -4.452 0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.358 -0.453 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.980 -1.752 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.568 -1.709 -1.657 1.00 0.00 H new ATOM 339 N LYS A 31 -0.002 -6.277 -1.649 1.00 0.00 N ATOM 340 CA LYS A 31 0.281 -7.664 -1.500 1.00 0.00 C ATOM 341 C LYS A 31 0.232 -8.072 -0.044 1.00 0.00 C ATOM 342 O LYS A 31 0.859 -7.456 0.814 1.00 0.00 O ATOM 343 CB LYS A 31 1.638 -7.996 -2.100 1.00 0.00 C ATOM 344 CG LYS A 31 2.079 -9.417 -1.854 1.00 0.00 C ATOM 345 CD LYS A 31 3.470 -9.672 -2.358 1.00 0.00 C ATOM 346 CE LYS A 31 3.890 -11.071 -2.003 1.00 0.00 C ATOM 347 NZ LYS A 31 5.297 -11.340 -2.332 1.00 0.00 N1+ ATOM 0 H LYS A 31 0.820 -5.674 -1.623 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.484 -8.226 -2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.604 -7.817 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.384 -7.317 -1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.036 -9.630 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.386 -10.101 -2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.506 -9.534 -3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.163 -8.952 -1.922 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.733 -11.234 -0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.255 -11.782 -2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.535 -12.317 -2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.445 -11.212 -3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.908 -10.681 -1.808 1.00 0.00 H new ATOM 361 N CYS A 32 -0.528 -9.087 0.226 1.00 0.00 N ATOM 362 CA CYS A 32 -0.589 -9.649 1.538 1.00 0.00 C ATOM 363 C CYS A 32 0.497 -10.707 1.651 1.00 0.00 C ATOM 364 O CYS A 32 1.026 -11.164 0.635 1.00 0.00 O ATOM 365 CB CYS A 32 -1.977 -10.257 1.799 1.00 0.00 C ATOM 366 SG CYS A 32 -2.212 -10.985 3.440 1.00 0.00 S ATOM 0 H CYS A 32 -1.125 -9.550 -0.459 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.427 -8.874 2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.728 -9.480 1.654 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.165 -11.026 1.049 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.419 -11.459 3.536 1.00 0.00 H new ATOM 372 N ASN A 33 0.794 -11.110 2.863 1.00 0.00 N ATOM 373 CA ASN A 33 1.825 -12.116 3.155 1.00 0.00 C ATOM 374 C ASN A 33 1.521 -13.469 2.482 1.00 0.00 C ATOM 375 O ASN A 33 2.416 -14.278 2.248 1.00 0.00 O ATOM 376 CB ASN A 33 1.965 -12.281 4.676 1.00 0.00 C ATOM 377 CG ASN A 33 3.005 -13.317 5.089 1.00 0.00 C ATOM 378 OD1 ASN A 33 2.688 -14.492 5.295 1.00 0.00 O ATOM 379 ND2 ASN A 33 4.236 -12.904 5.198 1.00 0.00 N ATOM 0 H ASN A 33 0.328 -10.752 3.697 1.00 0.00 H new ATOM 0 HA ASN A 33 2.770 -11.764 2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.231 -11.319 5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.998 -12.564 5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.972 -13.559 5.461 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.463 -11.926 5.021 1.00 0.00 H new ATOM 386 N ASP A 34 0.255 -13.693 2.151 1.00 0.00 N ATOM 387 CA ASP A 34 -0.156 -14.925 1.467 1.00 0.00 C ATOM 388 C ASP A 34 0.155 -14.845 -0.039 1.00 0.00 C ATOM 389 O ASP A 34 0.130 -15.851 -0.765 1.00 0.00 O ATOM 390 CB ASP A 34 -1.648 -15.200 1.707 1.00 0.00 C ATOM 391 CG ASP A 34 -2.139 -16.470 1.046 1.00 0.00 C ATOM 392 OD1 ASP A 34 -1.724 -17.566 1.455 1.00 0.00 O ATOM 393 OD2 ASP A 34 -2.970 -16.397 0.129 1.00 0.00 O1- ATOM 0 H ASP A 34 -0.507 -13.043 2.342 1.00 0.00 H new ATOM 0 HA ASP A 34 0.415 -15.756 1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.830 -15.264 2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.230 -14.357 1.334 1.00 0.00 H new ATOM 398 N GLY A 35 0.486 -13.659 -0.497 1.00 0.00 N ATOM 399 CA GLY A 35 0.853 -13.469 -1.879 1.00 0.00 C ATOM 400 C GLY A 35 -0.237 -12.846 -2.705 1.00 0.00 C ATOM 401 O GLY A 35 -0.006 -12.450 -3.842 1.00 0.00 O ATOM 0 H GLY A 35 0.508 -12.811 0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.741 -12.839 -1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.121 -14.433 -2.312 1.00 0.00 H new ATOM 405 N ARG A 36 -1.416 -12.731 -2.142 1.00 0.00 N ATOM 406 CA ARG A 36 -2.517 -12.133 -2.872 1.00 0.00 C ATOM 407 C ARG A 36 -2.417 -10.633 -2.901 1.00 0.00 C ATOM 408 O ARG A 36 -1.965 -10.010 -1.934 1.00 0.00 O ATOM 409 CB ARG A 36 -3.894 -12.559 -2.336 1.00 0.00 C ATOM 410 CG ARG A 36 -4.459 -13.831 -2.955 1.00 0.00 C ATOM 411 CD ARG A 36 -3.641 -15.062 -2.639 1.00 0.00 C ATOM 412 NE ARG A 36 -4.170 -16.226 -3.343 1.00 0.00 N ATOM 413 CZ ARG A 36 -3.759 -17.482 -3.189 1.00 0.00 C ATOM 414 NH1 ARG A 36 -2.940 -17.805 -2.192 1.00 0.00 N1+ ATOM 415 NH2 ARG A 36 -4.239 -18.420 -3.984 1.00 0.00 N ATOM 0 H ARG A 36 -1.640 -13.037 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.432 -12.510 -3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.820 -12.699 -1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.600 -11.746 -2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.478 -13.979 -2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.514 -13.707 -4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.602 -14.898 -2.926 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.650 -15.245 -1.565 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.922 -16.062 -4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.623 -17.088 -1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.629 -18.770 -2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.917 -18.178 -4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.932 -19.387 -3.876 1.00 0.00 H new ATOM 429 N PHE A 37 -2.831 -10.070 -4.001 1.00 0.00 N ATOM 430 CA PHE A 37 -2.879 -8.654 -4.172 1.00 0.00 C ATOM 431 C PHE A 37 -4.297 -8.191 -4.068 1.00 0.00 C ATOM 432 O PHE A 37 -5.207 -8.785 -4.647 1.00 0.00 O ATOM 433 CB PHE A 37 -2.292 -8.204 -5.514 1.00 0.00 C ATOM 434 CG PHE A 37 -0.829 -7.855 -5.489 1.00 0.00 C ATOM 435 CD1 PHE A 37 -0.425 -6.680 -4.903 1.00 0.00 C ATOM 436 CD2 PHE A 37 0.124 -8.658 -6.086 1.00 0.00 C ATOM 437 CE1 PHE A 37 0.882 -6.290 -4.894 1.00 0.00 C ATOM 438 CE2 PHE A 37 1.458 -8.283 -6.078 1.00 0.00 C ATOM 439 CZ PHE A 37 1.838 -7.093 -5.482 1.00 0.00 C ATOM 0 H PHE A 37 -3.149 -10.596 -4.815 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.270 -8.208 -3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.447 -8.998 -6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.850 -7.336 -5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.164 -6.046 -4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.172 -9.582 -6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.167 -5.358 -4.429 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.201 -8.919 -6.537 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.876 -6.795 -5.477 1.00 0.00 H new ATOM 449 N TYR A 38 -4.479 -7.189 -3.286 1.00 0.00 N ATOM 450 CA TYR A 38 -5.752 -6.586 -3.061 1.00 0.00 C ATOM 451 C TYR A 38 -5.693 -5.163 -3.553 1.00 0.00 C ATOM 452 O TYR A 38 -4.767 -4.436 -3.217 1.00 0.00 O ATOM 453 CB TYR A 38 -6.071 -6.608 -1.565 1.00 0.00 C ATOM 454 CG TYR A 38 -6.216 -7.989 -0.969 1.00 0.00 C ATOM 455 CD1 TYR A 38 -7.462 -8.588 -0.859 1.00 0.00 C ATOM 456 CD2 TYR A 38 -5.107 -8.694 -0.517 1.00 0.00 C ATOM 457 CE1 TYR A 38 -7.601 -9.847 -0.315 1.00 0.00 C ATOM 458 CE2 TYR A 38 -5.237 -9.951 0.025 1.00 0.00 C ATOM 459 CZ TYR A 38 -6.485 -10.523 0.125 1.00 0.00 C ATOM 460 OH TYR A 38 -6.612 -11.779 0.668 1.00 0.00 O ATOM 0 H TYR A 38 -3.722 -6.747 -2.764 1.00 0.00 H new ATOM 0 HA TYR A 38 -6.531 -7.132 -3.593 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.282 -6.078 -1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.996 -6.056 -1.397 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.338 -8.059 -1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.127 -8.247 -0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.578 -10.300 -0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.365 -10.486 0.370 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.728 -12.115 0.926 1.00 0.00 H new ATOM 470 N LEU A 39 -6.628 -4.784 -4.374 1.00 0.00 N ATOM 471 CA LEU A 39 -6.666 -3.435 -4.897 1.00 0.00 C ATOM 472 C LEU A 39 -7.401 -2.520 -3.931 1.00 0.00 C ATOM 473 O LEU A 39 -8.594 -2.701 -3.674 1.00 0.00 O ATOM 474 CB LEU A 39 -7.303 -3.422 -6.297 1.00 0.00 C ATOM 475 CG LEU A 39 -7.468 -2.056 -6.978 1.00 0.00 C ATOM 476 CD1 LEU A 39 -6.166 -1.316 -6.988 1.00 0.00 C ATOM 477 CD2 LEU A 39 -7.926 -2.239 -8.402 1.00 0.00 C ATOM 0 H LEU A 39 -7.382 -5.388 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.648 -3.059 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.700 -4.054 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.287 -3.885 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.210 -1.486 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.300 -0.350 -7.474 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.827 -1.163 -5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.422 -1.896 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.040 -1.264 -8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.187 -2.824 -8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.883 -2.761 -8.412 1.00 0.00 H new ATOM 489 N GLY A 40 -6.692 -1.576 -3.381 1.00 0.00 N ATOM 490 CA GLY A 40 -7.279 -0.689 -2.424 1.00 0.00 C ATOM 491 C GLY A 40 -6.993 0.753 -2.737 1.00 0.00 C ATOM 492 O GLY A 40 -6.176 1.053 -3.602 1.00 0.00 O ATOM 0 H GLY A 40 -5.707 -1.403 -3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.357 -0.847 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.899 -0.926 -1.430 1.00 0.00 H new ATOM 496 N THR A 41 -7.650 1.624 -2.036 1.00 0.00 N ATOM 497 CA THR A 41 -7.524 3.041 -2.208 1.00 0.00 C ATOM 498 C THR A 41 -6.870 3.635 -0.945 1.00 0.00 C ATOM 499 O THR A 41 -7.304 3.354 0.163 1.00 0.00 O ATOM 500 CB THR A 41 -8.932 3.631 -2.396 1.00 0.00 C ATOM 501 OG1 THR A 41 -9.635 2.844 -3.373 1.00 0.00 O ATOM 502 CG2 THR A 41 -8.868 5.069 -2.871 1.00 0.00 C ATOM 0 H THR A 41 -8.310 1.361 -1.304 1.00 0.00 H new ATOM 0 HA THR A 41 -6.909 3.275 -3.077 1.00 0.00 H new ATOM 0 HB THR A 41 -9.449 3.611 -1.436 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.250 3.004 -4.260 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.879 5.457 -2.994 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.335 5.672 -2.135 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.343 5.114 -3.825 1.00 0.00 H new ATOM 510 N ILE A 42 -5.827 4.409 -1.113 1.00 0.00 N ATOM 511 CA ILE A 42 -5.091 4.975 0.027 1.00 0.00 C ATOM 512 C ILE A 42 -5.890 6.080 0.701 1.00 0.00 C ATOM 513 O ILE A 42 -6.437 6.948 0.026 1.00 0.00 O ATOM 514 CB ILE A 42 -3.734 5.557 -0.419 1.00 0.00 C ATOM 515 CG1 ILE A 42 -3.015 4.541 -1.281 1.00 0.00 C ATOM 516 CG2 ILE A 42 -2.880 5.907 0.809 1.00 0.00 C ATOM 517 CD1 ILE A 42 -1.705 4.996 -1.807 1.00 0.00 C ATOM 0 H ILE A 42 -5.455 4.672 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.925 4.160 0.732 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.902 6.467 -0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.862 3.632 -0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.657 4.277 -2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.924 6.317 0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.403 6.645 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.706 5.008 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.262 4.206 -2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.848 5.886 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.041 5.231 -0.975 1.00 0.00 H new ATOM 529 N ILE A 43 -5.954 6.052 2.014 1.00 0.00 N ATOM 530 CA ILE A 43 -6.672 7.075 2.756 1.00 0.00 C ATOM 531 C ILE A 43 -5.743 7.929 3.604 1.00 0.00 C ATOM 532 O ILE A 43 -6.027 9.099 3.825 1.00 0.00 O ATOM 533 CB ILE A 43 -7.797 6.536 3.673 1.00 0.00 C ATOM 534 CG1 ILE A 43 -7.273 5.408 4.555 1.00 0.00 C ATOM 535 CG2 ILE A 43 -9.018 6.105 2.874 1.00 0.00 C ATOM 536 CD1 ILE A 43 -7.453 4.046 4.011 1.00 0.00 C ATOM 0 H ILE A 43 -5.519 5.334 2.593 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.135 7.675 1.973 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.120 7.350 4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.210 5.573 4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.772 5.464 5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.785 5.733 3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.408 6.957 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.737 5.315 2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.048 3.317 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.515 3.852 3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.929 3.962 3.059 1.00 0.00 H new ATOM 548 N ASP A 44 -4.641 7.368 4.075 1.00 0.00 N ATOM 549 CA ASP A 44 -3.727 8.136 4.925 1.00 0.00 C ATOM 550 C ASP A 44 -2.320 7.660 4.712 1.00 0.00 C ATOM 551 O ASP A 44 -2.114 6.529 4.270 1.00 0.00 O ATOM 552 CB ASP A 44 -4.102 8.011 6.404 1.00 0.00 C ATOM 553 CG ASP A 44 -3.352 8.994 7.294 1.00 0.00 C ATOM 554 OD1 ASP A 44 -2.908 10.049 6.789 1.00 0.00 O ATOM 555 OD2 ASP A 44 -3.232 8.741 8.524 1.00 0.00 O1- ATOM 0 H ASP A 44 -4.356 6.406 3.892 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.806 9.187 4.647 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.174 8.173 6.516 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.896 6.995 6.741 1.00 0.00 H new ATOM 560 N GLN A 45 -1.358 8.486 5.005 1.00 0.00 N ATOM 561 CA GLN A 45 0.008 8.120 4.801 1.00 0.00 C ATOM 562 C GLN A 45 0.873 8.514 5.968 1.00 0.00 C ATOM 563 O GLN A 45 0.669 9.559 6.596 1.00 0.00 O ATOM 564 CB GLN A 45 0.588 8.728 3.506 1.00 0.00 C ATOM 565 CG GLN A 45 0.881 10.254 3.488 1.00 0.00 C ATOM 566 CD GLN A 45 -0.323 11.154 3.669 1.00 0.00 C ATOM 567 OE1 GLN A 45 -0.970 11.564 2.703 1.00 0.00 O ATOM 568 NE2 GLN A 45 -0.620 11.493 4.895 1.00 0.00 N ATOM 0 H GLN A 45 -1.498 9.421 5.388 1.00 0.00 H new ATOM 0 HA GLN A 45 0.015 7.034 4.707 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.518 8.206 3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.106 8.511 2.694 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.600 10.477 4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.359 10.503 2.540 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.064 11.136 5.672 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.408 12.115 5.075 1.00 0.00 H new ATOM 577 N THR A 46 1.808 7.676 6.267 1.00 0.00 N ATOM 578 CA THR A 46 2.820 7.986 7.210 1.00 0.00 C ATOM 579 C THR A 46 4.124 7.965 6.443 1.00 0.00 C ATOM 580 O THR A 46 4.109 7.767 5.221 1.00 0.00 O ATOM 581 CB THR A 46 2.877 6.996 8.412 1.00 0.00 C ATOM 582 OG1 THR A 46 3.015 5.647 7.954 1.00 0.00 O ATOM 583 CG2 THR A 46 1.651 7.096 9.292 1.00 0.00 C ATOM 0 H THR A 46 1.889 6.746 5.856 1.00 0.00 H new ATOM 0 HA THR A 46 2.613 8.958 7.659 1.00 0.00 H new ATOM 0 HB THR A 46 3.749 7.276 9.004 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.376 5.480 7.230 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.736 6.388 10.116 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.570 8.108 9.690 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.762 6.865 8.705 1.00 0.00 H new ATOM 591 N SER A 47 5.218 8.154 7.101 1.00 0.00 N ATOM 592 CA SER A 47 6.480 8.139 6.424 1.00 0.00 C ATOM 593 C SER A 47 6.940 6.704 6.097 1.00 0.00 C ATOM 594 O SER A 47 7.738 6.490 5.179 1.00 0.00 O ATOM 595 CB SER A 47 7.501 8.886 7.263 1.00 0.00 C ATOM 596 OG SER A 47 7.026 10.202 7.540 1.00 0.00 O ATOM 0 H SER A 47 5.269 8.321 8.106 1.00 0.00 H new ATOM 0 HA SER A 47 6.374 8.644 5.464 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.682 8.351 8.195 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.453 8.936 6.735 1.00 0.00 H new ATOM 0 HG SER A 47 7.687 10.681 8.083 1.00 0.00 H new ATOM 602 N ASP A 48 6.429 5.721 6.824 1.00 0.00 N ATOM 603 CA ASP A 48 6.863 4.348 6.592 1.00 0.00 C ATOM 604 C ASP A 48 5.744 3.473 6.067 1.00 0.00 C ATOM 605 O ASP A 48 6.008 2.456 5.447 1.00 0.00 O ATOM 606 CB ASP A 48 7.442 3.692 7.858 1.00 0.00 C ATOM 607 CG ASP A 48 8.577 4.463 8.503 1.00 0.00 C ATOM 608 OD1 ASP A 48 9.730 4.417 8.015 1.00 0.00 O ATOM 609 OD2 ASP A 48 8.338 5.119 9.542 1.00 0.00 O1- ATOM 0 H ASP A 48 5.733 5.840 7.560 1.00 0.00 H new ATOM 0 HA ASP A 48 7.647 4.422 5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.641 3.571 8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.796 2.693 7.605 1.00 0.00 H new ATOM 614 N GLN A 49 4.498 3.843 6.326 1.00 0.00 N ATOM 615 CA GLN A 49 3.357 3.016 5.921 1.00 0.00 C ATOM 616 C GLN A 49 2.222 3.835 5.327 1.00 0.00 C ATOM 617 O GLN A 49 2.129 5.049 5.539 1.00 0.00 O ATOM 618 CB GLN A 49 2.851 2.170 7.096 1.00 0.00 C ATOM 619 CG GLN A 49 3.842 1.080 7.507 1.00 0.00 C ATOM 620 CD GLN A 49 3.382 0.188 8.635 1.00 0.00 C ATOM 621 OE1 GLN A 49 2.203 -0.060 8.816 1.00 0.00 O ATOM 622 NE2 GLN A 49 4.310 -0.286 9.414 1.00 0.00 N ATOM 0 H GLN A 49 4.246 4.704 6.811 1.00 0.00 H new ATOM 0 HA GLN A 49 3.717 2.352 5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.657 2.820 7.949 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.902 1.709 6.824 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.056 0.459 6.637 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.779 1.554 7.798 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.289 -0.061 9.237 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.059 -0.883 10.202 1.00 0.00 H new ATOM 631 N TYR A 50 1.373 3.174 4.592 1.00 0.00 N ATOM 632 CA TYR A 50 0.226 3.794 3.963 1.00 0.00 C ATOM 633 C TYR A 50 -1.041 3.085 4.396 1.00 0.00 C ATOM 634 O TYR A 50 -1.075 1.857 4.445 1.00 0.00 O ATOM 635 CB TYR A 50 0.369 3.751 2.436 1.00 0.00 C ATOM 636 CG TYR A 50 1.485 4.620 1.902 1.00 0.00 C ATOM 637 CD1 TYR A 50 1.216 5.910 1.499 1.00 0.00 C ATOM 638 CD2 TYR A 50 2.812 4.166 1.825 1.00 0.00 C ATOM 639 CE1 TYR A 50 2.211 6.736 1.038 1.00 0.00 C ATOM 640 CE2 TYR A 50 3.810 4.982 1.361 1.00 0.00 C ATOM 641 CZ TYR A 50 3.508 6.273 0.968 1.00 0.00 C ATOM 642 OH TYR A 50 4.510 7.107 0.505 1.00 0.00 O ATOM 0 H TYR A 50 1.454 2.174 4.406 1.00 0.00 H new ATOM 0 HA TYR A 50 0.170 4.837 4.273 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.543 2.721 2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.572 4.065 1.984 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.202 6.279 1.547 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.049 3.159 2.136 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.979 7.745 0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.826 4.619 1.303 1.00 0.00 H new ATOM 0 HH TYR A 50 5.366 6.629 0.519 1.00 0.00 H new ATOM 652 N LEU A 51 -2.060 3.849 4.746 1.00 0.00 N ATOM 653 CA LEU A 51 -3.319 3.285 5.179 1.00 0.00 C ATOM 654 C LEU A 51 -4.143 3.075 3.950 1.00 0.00 C ATOM 655 O LEU A 51 -4.452 4.040 3.234 1.00 0.00 O ATOM 656 CB LEU A 51 -4.063 4.223 6.147 1.00 0.00 C ATOM 657 CG LEU A 51 -5.321 3.641 6.822 1.00 0.00 C ATOM 658 CD1 LEU A 51 -4.993 2.443 7.668 1.00 0.00 C ATOM 659 CD2 LEU A 51 -6.046 4.683 7.646 1.00 0.00 C ATOM 0 H LEU A 51 -2.036 4.869 4.737 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.141 2.352 5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.367 4.533 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.351 5.121 5.601 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.986 3.319 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.905 2.061 8.127 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.549 1.668 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.287 2.730 8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.927 4.235 8.106 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.382 5.058 8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.352 5.507 7.002 1.00 0.00 H new ATOM 671 N ILE A 52 -4.425 1.849 3.657 1.00 0.00 N ATOM 672 CA ILE A 52 -5.140 1.509 2.457 1.00 0.00 C ATOM 673 C ILE A 52 -6.524 1.013 2.799 1.00 0.00 C ATOM 674 O ILE A 52 -6.677 0.172 3.682 1.00 0.00 O ATOM 675 CB ILE A 52 -4.405 0.407 1.662 1.00 0.00 C ATOM 676 CG1 ILE A 52 -2.890 0.673 1.630 1.00 0.00 C ATOM 677 CG2 ILE A 52 -4.961 0.322 0.244 1.00 0.00 C ATOM 678 CD1 ILE A 52 -2.506 1.974 0.985 1.00 0.00 C ATOM 0 H ILE A 52 -4.170 1.050 4.238 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.203 2.409 1.846 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.571 -0.547 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.509 0.660 2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.401 -0.142 1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.435 -0.458 -0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.024 0.085 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.821 1.279 -0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.422 2.083 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.854 1.985 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.963 2.799 1.530 1.00 0.00 H new ATOM 690 N ARG A 53 -7.514 1.540 2.124 1.00 0.00 N ATOM 691 CA ARG A 53 -8.865 1.104 2.284 1.00 0.00 C ATOM 692 C ARG A 53 -9.177 0.242 1.119 1.00 0.00 C ATOM 693 O ARG A 53 -9.169 0.689 -0.018 1.00 0.00 O ATOM 694 CB ARG A 53 -9.843 2.280 2.327 1.00 0.00 C ATOM 695 CG ARG A 53 -11.293 1.881 2.547 1.00 0.00 C ATOM 696 CD ARG A 53 -12.160 3.107 2.610 1.00 0.00 C ATOM 697 NE ARG A 53 -13.546 2.822 2.978 1.00 0.00 N ATOM 698 CZ ARG A 53 -14.101 3.168 4.149 1.00 0.00 C ATOM 699 NH1 ARG A 53 -13.347 3.669 5.136 1.00 0.00 N1+ ATOM 700 NH2 ARG A 53 -15.405 2.996 4.339 1.00 0.00 N ATOM 0 H ARG A 53 -7.397 2.290 1.443 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.969 0.570 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.541 2.960 3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.769 2.833 1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.627 1.231 1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.386 1.312 3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.737 3.805 3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.145 3.604 1.640 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.128 2.329 2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.343 3.790 5.000 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.776 3.930 6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.981 2.602 3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.830 3.258 5.229 1.00 0.00 H new ATOM 714 N PHE A 54 -9.432 -0.965 1.383 1.00 0.00 N ATOM 715 CA PHE A 54 -9.686 -1.912 0.353 1.00 0.00 C ATOM 716 C PHE A 54 -11.111 -1.826 -0.126 1.00 0.00 C ATOM 717 O PHE A 54 -11.906 -1.022 0.388 1.00 0.00 O ATOM 718 CB PHE A 54 -9.328 -3.300 0.831 1.00 0.00 C ATOM 719 CG PHE A 54 -7.871 -3.405 1.153 1.00 0.00 C ATOM 720 CD1 PHE A 54 -6.976 -3.706 0.163 1.00 0.00 C ATOM 721 CD2 PHE A 54 -7.399 -3.163 2.432 1.00 0.00 C ATOM 722 CE1 PHE A 54 -5.635 -3.769 0.423 1.00 0.00 C ATOM 723 CE2 PHE A 54 -6.054 -3.227 2.707 1.00 0.00 C ATOM 724 CZ PHE A 54 -5.164 -3.531 1.694 1.00 0.00 C ATOM 0 H PHE A 54 -9.475 -1.346 2.328 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.056 -1.680 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -9.917 -3.546 1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.586 -4.029 0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.334 -3.897 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.095 -2.921 3.222 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.943 -4.006 -0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.695 -3.041 3.708 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.105 -3.581 1.899 1.00 0.00 H new ATOM 734 N ASP A 55 -11.440 -2.635 -1.105 1.00 0.00 N ATOM 735 CA ASP A 55 -12.787 -2.661 -1.670 1.00 0.00 C ATOM 736 C ASP A 55 -13.777 -3.119 -0.605 1.00 0.00 C ATOM 737 O ASP A 55 -14.898 -2.638 -0.519 1.00 0.00 O ATOM 738 CB ASP A 55 -12.832 -3.594 -2.878 1.00 0.00 C ATOM 739 CG ASP A 55 -14.164 -3.593 -3.595 1.00 0.00 C ATOM 740 OD1 ASP A 55 -15.089 -4.343 -3.186 1.00 0.00 O ATOM 741 OD2 ASP A 55 -14.290 -2.886 -4.620 1.00 0.00 O1- ATOM 0 H ASP A 55 -10.792 -3.294 -1.537 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.060 -1.659 -2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.051 -3.303 -3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.606 -4.609 -2.551 1.00 0.00 H new ATOM 746 N ASP A 56 -13.274 -3.949 0.290 1.00 0.00 N ATOM 747 CA ASP A 56 -14.044 -4.521 1.391 1.00 0.00 C ATOM 748 C ASP A 56 -14.069 -3.534 2.584 1.00 0.00 C ATOM 749 O ASP A 56 -14.443 -3.873 3.705 1.00 0.00 O ATOM 750 CB ASP A 56 -13.406 -5.873 1.766 1.00 0.00 C ATOM 751 CG ASP A 56 -14.161 -6.682 2.793 1.00 0.00 C ATOM 752 OD1 ASP A 56 -15.289 -7.120 2.505 1.00 0.00 O ATOM 753 OD2 ASP A 56 -13.601 -6.963 3.875 1.00 0.00 O1- ATOM 0 H ASP A 56 -12.301 -4.253 0.276 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.081 -4.691 1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.304 -6.471 0.860 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.399 -5.689 2.142 1.00 0.00 H new ATOM 758 N GLN A 57 -13.628 -2.296 2.298 1.00 0.00 N ATOM 759 CA GLN A 57 -13.697 -1.118 3.191 1.00 0.00 C ATOM 760 C GLN A 57 -12.796 -1.216 4.425 1.00 0.00 C ATOM 761 O GLN A 57 -12.849 -0.350 5.297 1.00 0.00 O ATOM 762 CB GLN A 57 -15.144 -0.844 3.621 1.00 0.00 C ATOM 763 CG GLN A 57 -16.127 -0.613 2.473 1.00 0.00 C ATOM 764 CD GLN A 57 -15.674 0.467 1.525 1.00 0.00 C ATOM 765 OE1 GLN A 57 -15.917 1.647 1.760 1.00 0.00 O ATOM 766 NE2 GLN A 57 -15.104 0.083 0.421 1.00 0.00 N ATOM 0 H GLN A 57 -13.195 -2.076 1.401 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.320 -0.284 2.600 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.496 -1.686 4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -15.155 0.032 4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -16.258 -1.543 1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.101 -0.345 2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.918 -0.907 0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.843 0.772 -0.285 1.00 0.00 H new ATOM 775 N SER A 58 -11.961 -2.218 4.480 1.00 0.00 N ATOM 776 CA SER A 58 -11.033 -2.343 5.578 1.00 0.00 C ATOM 777 C SER A 58 -9.843 -1.443 5.335 1.00 0.00 C ATOM 778 O SER A 58 -9.407 -1.289 4.186 1.00 0.00 O ATOM 779 CB SER A 58 -10.598 -3.787 5.740 1.00 0.00 C ATOM 780 OG SER A 58 -11.729 -4.617 6.008 1.00 0.00 O ATOM 0 H SER A 58 -11.902 -2.959 3.781 1.00 0.00 H new ATOM 0 HA SER A 58 -11.522 -2.037 6.503 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.095 -4.127 4.834 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.878 -3.868 6.554 1.00 0.00 H new ATOM 0 HG SER A 58 -11.436 -5.547 6.109 1.00 0.00 H new ATOM 786 N GLU A 59 -9.348 -0.832 6.386 1.00 0.00 N ATOM 787 CA GLU A 59 -8.232 0.072 6.286 1.00 0.00 C ATOM 788 C GLU A 59 -7.056 -0.494 7.046 1.00 0.00 C ATOM 789 O GLU A 59 -7.149 -0.782 8.252 1.00 0.00 O ATOM 790 CB GLU A 59 -8.621 1.458 6.793 1.00 0.00 C ATOM 791 CG GLU A 59 -9.850 1.981 6.072 1.00 0.00 C ATOM 792 CD GLU A 59 -10.293 3.367 6.439 1.00 0.00 C ATOM 793 OE1 GLU A 59 -10.335 3.710 7.634 1.00 0.00 O ATOM 794 OE2 GLU A 59 -10.691 4.125 5.532 1.00 0.00 O1- ATOM 0 H GLU A 59 -9.709 -0.949 7.333 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.942 0.181 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.816 1.415 7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.790 2.148 6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.655 1.956 5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.676 1.296 6.262 1.00 0.00 H new ATOM 801 N GLN A 60 -5.972 -0.679 6.357 1.00 0.00 N ATOM 802 CA GLN A 60 -4.802 -1.304 6.934 1.00 0.00 C ATOM 803 C GLN A 60 -3.547 -0.545 6.545 1.00 0.00 C ATOM 804 O GLN A 60 -3.464 -0.003 5.443 1.00 0.00 O ATOM 805 CB GLN A 60 -4.716 -2.773 6.461 1.00 0.00 C ATOM 806 CG GLN A 60 -3.574 -3.589 7.065 1.00 0.00 C ATOM 807 CD GLN A 60 -3.610 -3.626 8.582 1.00 0.00 C ATOM 808 OE1 GLN A 60 -4.665 -3.535 9.197 1.00 0.00 O ATOM 809 NE2 GLN A 60 -2.464 -3.752 9.193 1.00 0.00 N ATOM 0 H GLN A 60 -5.865 -0.405 5.380 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.886 -1.284 8.021 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.658 -3.268 6.696 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.613 -2.782 5.376 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.620 -4.608 6.681 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.622 -3.168 6.740 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.603 -3.825 8.652 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.429 -3.777 10.212 1.00 0.00 H new ATOM 818 N TRP A 61 -2.583 -0.520 7.439 1.00 0.00 N ATOM 819 CA TRP A 61 -1.321 0.138 7.197 1.00 0.00 C ATOM 820 C TRP A 61 -0.380 -0.848 6.554 1.00 0.00 C ATOM 821 O TRP A 61 -0.012 -1.863 7.156 1.00 0.00 O ATOM 822 CB TRP A 61 -0.718 0.680 8.505 1.00 0.00 C ATOM 823 CG TRP A 61 -1.428 1.867 9.068 1.00 0.00 C ATOM 824 CD1 TRP A 61 -2.306 1.892 10.105 1.00 0.00 C ATOM 825 CD2 TRP A 61 -1.314 3.209 8.605 1.00 0.00 C ATOM 826 NE1 TRP A 61 -2.748 3.176 10.308 1.00 0.00 N ATOM 827 CE2 TRP A 61 -2.154 4.001 9.393 1.00 0.00 C ATOM 828 CE3 TRP A 61 -0.584 3.812 7.598 1.00 0.00 C ATOM 829 CZ2 TRP A 61 -2.285 5.368 9.193 1.00 0.00 C ATOM 830 CZ3 TRP A 61 -0.713 5.168 7.395 1.00 0.00 C ATOM 831 CH2 TRP A 61 -1.555 5.933 8.185 1.00 0.00 C ATOM 0 H TRP A 61 -2.654 -0.958 8.358 1.00 0.00 H new ATOM 0 HA TRP A 61 -1.480 0.988 6.534 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -0.721 -0.116 9.249 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.324 0.946 8.327 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.610 1.032 10.682 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.412 3.468 11.025 1.00 0.00 H new ATOM 0 HE3 TRP A 61 0.079 3.227 6.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.940 5.964 9.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.148 5.643 6.606 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.636 6.994 8.001 1.00 0.00 H new ATOM 842 N CYS A 62 -0.058 -0.576 5.323 1.00 0.00 N ATOM 843 CA CYS A 62 0.758 -1.439 4.529 1.00 0.00 C ATOM 844 C CYS A 62 2.054 -0.733 4.148 1.00 0.00 C ATOM 845 O CYS A 62 2.112 0.510 4.114 1.00 0.00 O ATOM 846 CB CYS A 62 -0.010 -1.810 3.270 1.00 0.00 C ATOM 847 SG CYS A 62 -1.694 -2.408 3.584 1.00 0.00 S ATOM 0 H CYS A 62 -0.362 0.268 4.837 1.00 0.00 H new ATOM 0 HA CYS A 62 1.004 -2.336 5.098 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.060 -0.939 2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.544 -2.580 2.732 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.355 -1.512 4.255 1.00 0.00 H new ATOM 853 N GLU A 63 3.073 -1.516 3.894 1.00 0.00 N ATOM 854 CA GLU A 63 4.371 -1.025 3.471 1.00 0.00 C ATOM 855 C GLU A 63 4.296 -0.500 2.053 1.00 0.00 C ATOM 856 O GLU A 63 3.543 -1.036 1.239 1.00 0.00 O ATOM 857 CB GLU A 63 5.358 -2.168 3.456 1.00 0.00 C ATOM 858 CG GLU A 63 5.558 -2.820 4.777 1.00 0.00 C ATOM 859 CD GLU A 63 6.072 -4.234 4.623 1.00 0.00 C ATOM 860 OE1 GLU A 63 7.266 -4.488 4.902 1.00 0.00 O ATOM 861 OE2 GLU A 63 5.300 -5.117 4.183 1.00 0.00 O1- ATOM 0 H GLU A 63 3.028 -2.532 3.975 1.00 0.00 H new ATOM 0 HA GLU A 63 4.677 -0.238 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.017 -2.918 2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.319 -1.799 3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.264 -2.237 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.616 -2.832 5.325 1.00 0.00 H new ATOM 868 N PRO A 64 5.119 0.507 1.722 1.00 0.00 N ATOM 869 CA PRO A 64 5.237 1.027 0.355 1.00 0.00 C ATOM 870 C PRO A 64 5.713 -0.083 -0.592 1.00 0.00 C ATOM 871 O PRO A 64 5.405 -0.093 -1.787 1.00 0.00 O ATOM 872 CB PRO A 64 6.276 2.149 0.461 1.00 0.00 C ATOM 873 CG PRO A 64 6.493 2.397 1.921 1.00 0.00 C ATOM 874 CD PRO A 64 5.980 1.202 2.668 1.00 0.00 C ATOM 0 HA PRO A 64 4.290 1.388 -0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.208 1.861 -0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.923 3.052 -0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.552 2.553 2.129 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.970 3.299 2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.798 0.563 3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.427 1.501 3.559 1.00 0.00 H new ATOM 882 N ASP A 65 6.422 -1.039 0.000 1.00 0.00 N ATOM 883 CA ASP A 65 6.896 -2.261 -0.654 1.00 0.00 C ATOM 884 C ASP A 65 5.728 -3.128 -1.135 1.00 0.00 C ATOM 885 O ASP A 65 5.821 -3.805 -2.146 1.00 0.00 O ATOM 886 CB ASP A 65 7.770 -3.049 0.344 1.00 0.00 C ATOM 887 CG ASP A 65 8.061 -4.488 -0.054 1.00 0.00 C ATOM 888 OD1 ASP A 65 8.942 -4.730 -0.913 1.00 0.00 O ATOM 889 OD2 ASP A 65 7.454 -5.411 0.542 1.00 0.00 O1- ATOM 0 H ASP A 65 6.693 -0.986 0.982 1.00 0.00 H new ATOM 0 HA ASP A 65 7.481 -1.988 -1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.717 -2.524 0.468 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.276 -3.049 1.315 1.00 0.00 H new ATOM 894 N LYS A 66 4.615 -3.072 -0.431 1.00 0.00 N ATOM 895 CA LYS A 66 3.469 -3.910 -0.766 1.00 0.00 C ATOM 896 C LYS A 66 2.547 -3.233 -1.733 1.00 0.00 C ATOM 897 O LYS A 66 1.651 -3.861 -2.281 1.00 0.00 O ATOM 898 CB LYS A 66 2.701 -4.320 0.482 1.00 0.00 C ATOM 899 CG LYS A 66 3.473 -5.214 1.411 1.00 0.00 C ATOM 900 CD LYS A 66 3.909 -6.482 0.699 1.00 0.00 C ATOM 901 CE LYS A 66 4.613 -7.430 1.622 1.00 0.00 C ATOM 902 NZ LYS A 66 5.844 -6.847 2.200 1.00 0.00 N1+ ATOM 0 H LYS A 66 4.475 -2.460 0.373 1.00 0.00 H new ATOM 0 HA LYS A 66 3.865 -4.806 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.403 -3.422 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.786 -4.830 0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.348 -4.685 1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.857 -5.469 2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.037 -6.975 0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.570 -6.224 -0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.937 -7.717 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.866 -8.341 1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.373 -7.585 2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.435 -6.458 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.590 -6.087 2.863 1.00 0.00 H new ATOM 916 N LEU A 67 2.778 -1.980 -1.937 1.00 0.00 N ATOM 917 CA LEU A 67 1.978 -1.179 -2.809 1.00 0.00 C ATOM 918 C LEU A 67 2.589 -1.154 -4.176 1.00 0.00 C ATOM 919 O LEU A 67 3.814 -1.079 -4.311 1.00 0.00 O ATOM 920 CB LEU A 67 1.889 0.217 -2.255 1.00 0.00 C ATOM 921 CG LEU A 67 1.108 0.360 -0.975 1.00 0.00 C ATOM 922 CD1 LEU A 67 1.812 1.258 -0.015 1.00 0.00 C ATOM 923 CD2 LEU A 67 -0.193 0.945 -1.280 1.00 0.00 C ATOM 0 H LEU A 67 3.543 -1.471 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 67 0.976 -1.602 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.900 0.587 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.436 0.860 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 67 1.001 -0.627 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.226 1.343 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.792 0.843 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.933 2.245 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.768 1.053 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.053 1.924 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.731 0.295 -1.970 1.00 0.00 H new ATOM 935 N ARG A 68 1.760 -1.242 -5.178 1.00 0.00 N ATOM 936 CA ARG A 68 2.208 -1.227 -6.555 1.00 0.00 C ATOM 937 C ARG A 68 1.352 -0.257 -7.354 1.00 0.00 C ATOM 938 O ARG A 68 0.116 -0.286 -7.235 1.00 0.00 O ATOM 939 CB ARG A 68 2.062 -2.637 -7.158 1.00 0.00 C ATOM 940 CG ARG A 68 2.792 -3.735 -6.393 1.00 0.00 C ATOM 941 CD ARG A 68 4.300 -3.555 -6.437 1.00 0.00 C ATOM 942 NE ARG A 68 4.817 -3.722 -7.794 1.00 0.00 N ATOM 943 CZ ARG A 68 6.030 -3.352 -8.216 1.00 0.00 C ATOM 944 NH1 ARG A 68 6.827 -2.630 -7.437 1.00 0.00 N1+ ATOM 945 NH2 ARG A 68 6.431 -3.682 -9.440 1.00 0.00 N ATOM 0 H ARG A 68 0.749 -1.327 -5.069 1.00 0.00 H new ATOM 0 HA ARG A 68 3.252 -0.916 -6.592 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.003 -2.889 -7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.432 -2.619 -8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.458 -3.738 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.531 -4.706 -6.815 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.561 -2.564 -6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.774 -4.279 -5.774 1.00 0.00 H new ATOM 0 HE ARG A 68 4.199 -4.159 -8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.515 -2.352 -6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.751 -2.353 -7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.814 -4.215 -10.052 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.356 -3.402 -9.767 1.00 0.00 H new ATOM 959 N LYS A 69 1.993 0.623 -8.138 1.00 0.00 N ATOM 960 CA LYS A 69 1.251 1.517 -9.030 1.00 0.00 C ATOM 961 C LYS A 69 0.610 0.669 -10.132 1.00 0.00 C ATOM 962 O LYS A 69 1.285 -0.183 -10.730 1.00 0.00 O ATOM 963 CB LYS A 69 2.141 2.631 -9.663 1.00 0.00 C ATOM 964 CG LYS A 69 2.684 3.712 -8.711 1.00 0.00 C ATOM 965 CD LYS A 69 3.851 3.215 -7.869 1.00 0.00 C ATOM 966 CE LYS A 69 4.431 4.299 -6.950 1.00 0.00 C ATOM 967 NZ LYS A 69 5.039 5.441 -7.658 1.00 0.00 N1+ ATOM 0 H LYS A 69 3.007 0.732 -8.171 1.00 0.00 H new ATOM 0 HA LYS A 69 0.496 2.033 -8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.989 2.151 -10.151 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.562 3.125 -10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.002 4.577 -9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.883 4.048 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.521 2.371 -7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.637 2.847 -8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.637 4.671 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.183 3.846 -6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.450 6.100 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.786 5.097 -8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.310 5.933 -8.214 1.00 0.00 H new ATOM 981 N LEU A 70 -0.664 0.902 -10.407 1.00 0.00 N ATOM 982 CA LEU A 70 -1.430 0.051 -11.334 1.00 0.00 C ATOM 983 C LEU A 70 -1.007 0.278 -12.772 1.00 0.00 C ATOM 984 O LEU A 70 -0.950 -0.662 -13.570 1.00 0.00 O ATOM 985 CB LEU A 70 -2.928 0.386 -11.263 1.00 0.00 C ATOM 986 CG LEU A 70 -3.589 0.412 -9.893 1.00 0.00 C ATOM 987 CD1 LEU A 70 -5.061 0.724 -10.043 1.00 0.00 C ATOM 988 CD2 LEU A 70 -3.425 -0.898 -9.182 1.00 0.00 C ATOM 0 H LEU A 70 -1.199 1.672 -10.006 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.238 -0.980 -11.036 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.074 1.363 -11.723 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.462 -0.339 -11.878 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.103 1.186 -9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.531 0.742 -9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.180 1.697 -10.520 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.534 -0.042 -10.658 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.909 -0.846 -8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.883 -1.692 -9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.364 -1.110 -9.050 1.00 0.00 H new