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 Set 1.1: A 60 GLN : amide:sc= 1.33 K(o=2.6,f=1.8) USER MOD Set 1.2: A 62 CYS SG : rot 52:sc= 1.31 USER MOD Single : A 21 THR OG1 : rot -35:sc= 0.274 USER MOD Single : A 22 TYR OH : rot -140:sc= 0.209 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -172:sc= -1.52 USER MOD Single : A 33 ASN : amide:sc= -0.0848 K(o=-0.085,f=-1.5!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -80:sc= 1.26 USER MOD Single : A 45 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 46 THR OG1 : rot -46:sc= 1.84 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.24) USER MOD Single : A 50 TYR OH : rot 166:sc= 0.545 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 2.44 (180deg=2.15) USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= 0.815 (180deg=0.41) USER MOD ----------------------------------------------------------------- ATOM 176 N THR A 21 6.943 6.267 -3.662 1.00 0.00 N ATOM 177 CA THR A 21 6.051 6.864 -2.721 1.00 0.00 C ATOM 178 C THR A 21 4.637 6.845 -3.279 1.00 0.00 C ATOM 179 O THR A 21 4.438 6.667 -4.496 1.00 0.00 O ATOM 180 CB THR A 21 6.496 8.292 -2.350 1.00 0.00 C ATOM 181 OG1 THR A 21 6.905 9.008 -3.538 1.00 0.00 O ATOM 182 CG2 THR A 21 7.640 8.257 -1.344 1.00 0.00 C ATOM 0 HA THR A 21 6.070 6.282 -1.799 1.00 0.00 H new ATOM 0 HB THR A 21 5.651 8.808 -1.894 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.339 8.388 -4.161 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.938 9.276 -1.096 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.313 7.744 -0.439 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.488 7.726 -1.776 1.00 0.00 H new ATOM 190 N TYR A 22 3.667 6.970 -2.416 1.00 0.00 N ATOM 191 CA TYR A 22 2.283 6.873 -2.806 1.00 0.00 C ATOM 192 C TYR A 22 1.478 8.074 -2.328 1.00 0.00 C ATOM 193 O TYR A 22 1.897 8.788 -1.405 1.00 0.00 O ATOM 194 CB TYR A 22 1.694 5.551 -2.309 1.00 0.00 C ATOM 195 CG TYR A 22 2.277 4.344 -3.008 1.00 0.00 C ATOM 196 CD1 TYR A 22 1.624 3.778 -4.076 1.00 0.00 C ATOM 197 CD2 TYR A 22 3.498 3.801 -2.624 1.00 0.00 C ATOM 198 CE1 TYR A 22 2.153 2.722 -4.754 1.00 0.00 C ATOM 199 CE2 TYR A 22 4.035 2.736 -3.296 1.00 0.00 C ATOM 200 CZ TYR A 22 3.360 2.204 -4.367 1.00 0.00 C ATOM 201 OH TYR A 22 3.901 1.151 -5.065 1.00 0.00 O ATOM 0 H TYR A 22 3.811 7.142 -1.421 1.00 0.00 H new ATOM 0 HA TYR A 22 2.227 6.882 -3.895 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.869 5.462 -1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.614 5.563 -2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.670 4.179 -4.385 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.030 4.225 -1.785 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.623 2.295 -5.593 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.981 2.318 -2.986 1.00 0.00 H new ATOM 0 HH TYR A 22 4.311 0.519 -4.438 1.00 0.00 H new ATOM 211 N ALA A 23 0.354 8.306 -2.969 1.00 0.00 N ATOM 212 CA ALA A 23 -0.499 9.449 -2.678 1.00 0.00 C ATOM 213 C ALA A 23 -1.870 8.987 -2.218 1.00 0.00 C ATOM 214 O ALA A 23 -2.281 7.876 -2.519 1.00 0.00 O ATOM 215 CB ALA A 23 -0.647 10.296 -3.930 1.00 0.00 C ATOM 0 H ALA A 23 -0.001 7.706 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.041 10.036 -1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.285 11.153 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.334 10.645 -4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.096 9.698 -4.723 1.00 0.00 H new ATOM 221 N LEU A 24 -2.557 9.811 -1.448 1.00 0.00 N ATOM 222 CA LEU A 24 -3.914 9.493 -1.022 1.00 0.00 C ATOM 223 C LEU A 24 -4.850 9.473 -2.208 1.00 0.00 C ATOM 224 O LEU A 24 -4.586 10.127 -3.234 1.00 0.00 O ATOM 225 CB LEU A 24 -4.451 10.456 0.045 1.00 0.00 C ATOM 226 CG LEU A 24 -3.572 10.674 1.258 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.267 11.519 2.302 1.00 0.00 C ATOM 228 CD2 LEU A 24 -3.082 9.371 1.827 1.00 0.00 C ATOM 0 H LEU A 24 -2.202 10.703 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.868 8.503 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.629 11.423 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.417 10.084 0.386 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.694 11.229 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.607 11.655 3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.515 12.492 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.181 11.020 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.454 9.567 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.934 8.761 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.502 8.840 1.073 1.00 0.00 H new ATOM 240 N GLN A 25 -5.930 8.710 -2.069 1.00 0.00 N ATOM 241 CA GLN A 25 -7.002 8.571 -3.067 1.00 0.00 C ATOM 242 C GLN A 25 -6.518 7.815 -4.301 1.00 0.00 C ATOM 243 O GLN A 25 -7.250 7.651 -5.285 1.00 0.00 O ATOM 244 CB GLN A 25 -7.625 9.928 -3.436 1.00 0.00 C ATOM 245 CG GLN A 25 -8.078 10.732 -2.222 1.00 0.00 C ATOM 246 CD GLN A 25 -8.843 11.984 -2.586 1.00 0.00 C ATOM 247 OE1 GLN A 25 -8.631 12.586 -3.650 1.00 0.00 O ATOM 248 NE2 GLN A 25 -9.721 12.396 -1.721 1.00 0.00 N ATOM 0 H GLN A 25 -6.095 8.150 -1.233 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.793 7.977 -2.610 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.898 10.513 -4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.479 9.762 -4.093 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.705 10.102 -1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.205 11.007 -1.631 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.869 11.875 -0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.263 13.240 -1.907 1.00 0.00 H new ATOM 257 N GLU A 26 -5.311 7.319 -4.214 1.00 0.00 N ATOM 258 CA GLU A 26 -4.701 6.566 -5.261 1.00 0.00 C ATOM 259 C GLU A 26 -5.087 5.114 -5.071 1.00 0.00 C ATOM 260 O GLU A 26 -5.059 4.599 -3.936 1.00 0.00 O ATOM 261 CB GLU A 26 -3.179 6.759 -5.190 1.00 0.00 C ATOM 262 CG GLU A 26 -2.377 6.167 -6.329 1.00 0.00 C ATOM 263 CD GLU A 26 -0.899 6.479 -6.213 1.00 0.00 C ATOM 264 OE1 GLU A 26 -0.490 7.582 -6.635 1.00 0.00 O ATOM 265 OE2 GLU A 26 -0.114 5.644 -5.728 1.00 0.00 O1- ATOM 0 H GLU A 26 -4.718 7.434 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.036 6.897 -6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.971 7.828 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.822 6.324 -4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.518 5.086 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.755 6.553 -7.276 1.00 0.00 H new ATOM 272 N ASP A 27 -5.528 4.493 -6.134 1.00 0.00 N ATOM 273 CA ASP A 27 -5.904 3.100 -6.094 1.00 0.00 C ATOM 274 C ASP A 27 -4.701 2.285 -6.444 1.00 0.00 C ATOM 275 O ASP A 27 -4.031 2.547 -7.446 1.00 0.00 O ATOM 276 CB ASP A 27 -7.077 2.781 -7.037 1.00 0.00 C ATOM 277 CG ASP A 27 -8.357 3.487 -6.653 1.00 0.00 C ATOM 278 OD1 ASP A 27 -9.110 2.967 -5.817 1.00 0.00 O ATOM 279 OD2 ASP A 27 -8.645 4.578 -7.196 1.00 0.00 O1- ATOM 0 H ASP A 27 -5.637 4.933 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.252 2.856 -5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.805 3.063 -8.054 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.250 1.705 -7.041 1.00 0.00 H new ATOM 284 N VAL A 28 -4.402 1.341 -5.612 1.00 0.00 N ATOM 285 CA VAL A 28 -3.203 0.541 -5.717 1.00 0.00 C ATOM 286 C VAL A 28 -3.478 -0.895 -5.299 1.00 0.00 C ATOM 287 O VAL A 28 -4.480 -1.178 -4.639 1.00 0.00 O ATOM 288 CB VAL A 28 -2.082 1.126 -4.801 1.00 0.00 C ATOM 289 CG1 VAL A 28 -1.490 2.383 -5.396 1.00 0.00 C ATOM 290 CG2 VAL A 28 -2.668 1.467 -3.446 1.00 0.00 C ATOM 0 H VAL A 28 -4.992 1.091 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.877 0.559 -6.757 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.297 0.375 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.712 2.767 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.059 2.156 -6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.272 3.134 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.887 1.876 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.461 2.205 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.078 0.566 -2.990 1.00 0.00 H new ATOM 300 N PHE A 29 -2.616 -1.789 -5.699 1.00 0.00 N ATOM 301 CA PHE A 29 -2.711 -3.170 -5.277 1.00 0.00 C ATOM 302 C PHE A 29 -1.834 -3.389 -4.065 1.00 0.00 C ATOM 303 O PHE A 29 -0.744 -2.821 -3.989 1.00 0.00 O ATOM 304 CB PHE A 29 -2.320 -4.145 -6.392 1.00 0.00 C ATOM 305 CG PHE A 29 -3.392 -4.382 -7.394 1.00 0.00 C ATOM 306 CD1 PHE A 29 -3.305 -3.865 -8.660 1.00 0.00 C ATOM 307 CD2 PHE A 29 -4.499 -5.126 -7.054 1.00 0.00 C ATOM 308 CE1 PHE A 29 -4.310 -4.085 -9.580 1.00 0.00 C ATOM 309 CE2 PHE A 29 -5.504 -5.349 -7.962 1.00 0.00 C ATOM 310 CZ PHE A 29 -5.412 -4.827 -9.225 1.00 0.00 C ATOM 0 H PHE A 29 -1.833 -1.589 -6.321 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.752 -3.370 -5.025 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.438 -3.760 -6.904 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.039 -5.098 -5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.442 -3.280 -8.941 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.578 -5.540 -6.060 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.231 -3.675 -10.576 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.366 -5.935 -7.681 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.203 -4.998 -9.940 1.00 0.00 H new ATOM 320 N ILE A 30 -2.320 -4.180 -3.122 1.00 0.00 N ATOM 321 CA ILE A 30 -1.617 -4.472 -1.870 1.00 0.00 C ATOM 322 C ILE A 30 -1.401 -5.948 -1.733 1.00 0.00 C ATOM 323 O ILE A 30 -2.344 -6.735 -1.765 1.00 0.00 O ATOM 324 CB ILE A 30 -2.385 -3.944 -0.591 1.00 0.00 C ATOM 325 CG1 ILE A 30 -2.210 -2.442 -0.382 1.00 0.00 C ATOM 326 CG2 ILE A 30 -1.985 -4.691 0.687 1.00 0.00 C ATOM 327 CD1 ILE A 30 -2.666 -1.594 -1.520 1.00 0.00 C ATOM 0 H ILE A 30 -3.224 -4.646 -3.199 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.663 -3.947 -1.922 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.438 -4.144 -0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.757 -2.148 0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.156 -2.236 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.542 -4.288 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.212 -5.751 0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.917 -4.565 0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.502 -0.544 -1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.102 -1.854 -2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.728 -1.764 -1.698 1.00 0.00 H new ATOM 339 N LYS A 31 -0.171 -6.301 -1.632 1.00 0.00 N ATOM 340 CA LYS A 31 0.246 -7.645 -1.454 1.00 0.00 C ATOM 341 C LYS A 31 0.211 -8.011 0.015 1.00 0.00 C ATOM 342 O LYS A 31 0.689 -7.269 0.862 1.00 0.00 O ATOM 343 CB LYS A 31 1.656 -7.810 -2.008 1.00 0.00 C ATOM 344 CG LYS A 31 2.294 -9.156 -1.745 1.00 0.00 C ATOM 345 CD LYS A 31 3.734 -9.165 -2.185 1.00 0.00 C ATOM 346 CE LYS A 31 4.430 -10.433 -1.755 1.00 0.00 C ATOM 347 NZ LYS A 31 5.866 -10.423 -2.115 1.00 0.00 N1+ ATOM 0 H LYS A 31 0.602 -5.637 -1.673 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.431 -8.310 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.629 -7.642 -3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.291 -7.034 -1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.233 -9.390 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.743 -9.933 -2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.786 -9.069 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.251 -8.303 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.327 -10.556 -0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.945 -11.290 -2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.308 -11.311 -1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.965 -10.331 -3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.335 -9.620 -1.649 1.00 0.00 H new ATOM 361 N CYS A 32 -0.384 -9.116 0.313 1.00 0.00 N ATOM 362 CA CYS A 32 -0.375 -9.625 1.646 1.00 0.00 C ATOM 363 C CYS A 32 0.810 -10.573 1.781 1.00 0.00 C ATOM 364 O CYS A 32 1.469 -10.884 0.780 1.00 0.00 O ATOM 365 CB CYS A 32 -1.691 -10.328 1.950 1.00 0.00 C ATOM 366 SG CYS A 32 -2.035 -11.751 0.883 1.00 0.00 S ATOM 0 H CYS A 32 -0.890 -9.693 -0.359 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.271 -8.814 2.367 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.681 -10.660 2.988 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.505 -9.610 1.853 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.243 -12.177 1.104 1.00 0.00 H new ATOM 372 N ASN A 33 1.077 -11.057 2.974 1.00 0.00 N ATOM 373 CA ASN A 33 2.224 -11.944 3.196 1.00 0.00 C ATOM 374 C ASN A 33 2.095 -13.296 2.481 1.00 0.00 C ATOM 375 O ASN A 33 3.084 -14.021 2.328 1.00 0.00 O ATOM 376 CB ASN A 33 2.576 -12.102 4.687 1.00 0.00 C ATOM 377 CG ASN A 33 3.284 -10.872 5.260 1.00 0.00 C ATOM 378 OD1 ASN A 33 3.998 -10.157 4.541 1.00 0.00 O ATOM 379 ND2 ASN A 33 3.112 -10.616 6.540 1.00 0.00 N ATOM 0 H ASN A 33 0.525 -10.859 3.809 1.00 0.00 H new ATOM 0 HA ASN A 33 3.071 -11.441 2.730 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.664 -12.288 5.254 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.214 -12.976 4.815 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.572 -9.811 6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.519 -11.222 7.106 1.00 0.00 H new ATOM 386 N ASP A 34 0.884 -13.633 2.037 1.00 0.00 N ATOM 387 CA ASP A 34 0.669 -14.855 1.244 1.00 0.00 C ATOM 388 C ASP A 34 1.012 -14.600 -0.242 1.00 0.00 C ATOM 389 O ASP A 34 1.197 -15.536 -1.037 1.00 0.00 O ATOM 390 CB ASP A 34 -0.789 -15.355 1.393 1.00 0.00 C ATOM 391 CG ASP A 34 -1.095 -16.605 0.570 1.00 0.00 C ATOM 392 OD1 ASP A 34 -0.669 -17.710 0.945 1.00 0.00 O ATOM 393 OD2 ASP A 34 -1.786 -16.504 -0.461 1.00 0.00 O1- ATOM 0 H ASP A 34 0.040 -13.086 2.208 1.00 0.00 H new ATOM 0 HA ASP A 34 1.333 -15.633 1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.986 -15.565 2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.470 -14.558 1.094 1.00 0.00 H new ATOM 398 N GLY A 35 1.174 -13.329 -0.599 1.00 0.00 N ATOM 399 CA GLY A 35 1.544 -12.979 -1.964 1.00 0.00 C ATOM 400 C GLY A 35 0.386 -12.505 -2.816 1.00 0.00 C ATOM 401 O GLY A 35 0.529 -12.319 -4.026 1.00 0.00 O ATOM 0 H GLY A 35 1.056 -12.535 0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.303 -12.197 -1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.999 -13.848 -2.440 1.00 0.00 H new ATOM 405 N ARG A 36 -0.755 -12.319 -2.211 1.00 0.00 N ATOM 406 CA ARG A 36 -1.949 -11.960 -2.961 1.00 0.00 C ATOM 407 C ARG A 36 -2.125 -10.476 -2.979 1.00 0.00 C ATOM 408 O ARG A 36 -1.794 -9.806 -2.008 1.00 0.00 O ATOM 409 CB ARG A 36 -3.176 -12.642 -2.360 1.00 0.00 C ATOM 410 CG ARG A 36 -2.964 -14.118 -2.140 1.00 0.00 C ATOM 411 CD ARG A 36 -2.551 -14.809 -3.416 1.00 0.00 C ATOM 412 NE ARG A 36 -1.932 -16.101 -3.164 1.00 0.00 N ATOM 413 CZ ARG A 36 -1.412 -16.877 -4.113 1.00 0.00 C ATOM 414 NH1 ARG A 36 -1.608 -16.583 -5.402 1.00 0.00 N1+ ATOM 415 NH2 ARG A 36 -0.710 -17.952 -3.781 1.00 0.00 N ATOM 0 H ARG A 36 -0.893 -12.407 -1.204 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.834 -12.303 -3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.423 -12.168 -1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.030 -12.495 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.199 -14.268 -1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.882 -14.567 -1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.425 -14.945 -4.053 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.854 -14.174 -3.962 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.894 -16.433 -2.200 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.157 -15.763 -5.660 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.209 -17.179 -6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.568 -18.185 -2.798 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.312 -18.546 -4.509 1.00 0.00 H new ATOM 429 N PHE A 37 -2.635 -9.968 -4.073 1.00 0.00 N ATOM 430 CA PHE A 37 -2.851 -8.556 -4.216 1.00 0.00 C ATOM 431 C PHE A 37 -4.302 -8.210 -4.095 1.00 0.00 C ATOM 432 O PHE A 37 -5.162 -8.807 -4.745 1.00 0.00 O ATOM 433 CB PHE A 37 -2.312 -8.024 -5.534 1.00 0.00 C ATOM 434 CG PHE A 37 -0.850 -7.700 -5.513 1.00 0.00 C ATOM 435 CD1 PHE A 37 -0.423 -6.543 -4.906 1.00 0.00 C ATOM 436 CD2 PHE A 37 0.082 -8.519 -6.115 1.00 0.00 C ATOM 437 CE1 PHE A 37 0.891 -6.186 -4.883 1.00 0.00 C ATOM 438 CE2 PHE A 37 1.422 -8.179 -6.097 1.00 0.00 C ATOM 439 CZ PHE A 37 1.832 -7.005 -5.481 1.00 0.00 C ATOM 0 H PHE A 37 -2.910 -10.521 -4.884 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.302 -8.080 -3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.498 -8.762 -6.314 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.868 -7.126 -5.805 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.150 -5.899 -4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.236 -9.429 -6.602 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.197 -5.269 -4.401 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.150 -8.827 -6.562 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.877 -6.733 -5.469 1.00 0.00 H new ATOM 449 N TYR A 38 -4.559 -7.264 -3.264 1.00 0.00 N ATOM 450 CA TYR A 38 -5.874 -6.759 -3.021 1.00 0.00 C ATOM 451 C TYR A 38 -5.882 -5.305 -3.412 1.00 0.00 C ATOM 452 O TYR A 38 -5.006 -4.558 -3.000 1.00 0.00 O ATOM 453 CB TYR A 38 -6.218 -6.929 -1.537 1.00 0.00 C ATOM 454 CG TYR A 38 -6.206 -8.370 -1.072 1.00 0.00 C ATOM 455 CD1 TYR A 38 -5.033 -8.971 -0.626 1.00 0.00 C ATOM 456 CD2 TYR A 38 -7.358 -9.135 -1.097 1.00 0.00 C ATOM 457 CE1 TYR A 38 -5.016 -10.285 -0.222 1.00 0.00 C ATOM 458 CE2 TYR A 38 -7.343 -10.450 -0.689 1.00 0.00 C ATOM 459 CZ TYR A 38 -6.171 -11.020 -0.257 1.00 0.00 C ATOM 460 OH TYR A 38 -6.158 -12.336 0.144 1.00 0.00 O ATOM 0 H TYR A 38 -3.838 -6.800 -2.712 1.00 0.00 H new ATOM 0 HA TYR A 38 -6.620 -7.301 -3.603 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.507 -6.358 -0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.204 -6.504 -1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.120 -8.395 -0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.282 -8.695 -1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.096 -10.735 0.121 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.252 -11.032 -0.709 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.059 -12.713 0.059 1.00 0.00 H new ATOM 470 N LEU A 39 -6.817 -4.910 -4.229 1.00 0.00 N ATOM 471 CA LEU A 39 -6.859 -3.541 -4.707 1.00 0.00 C ATOM 472 C LEU A 39 -7.526 -2.664 -3.659 1.00 0.00 C ATOM 473 O LEU A 39 -8.607 -3.003 -3.149 1.00 0.00 O ATOM 474 CB LEU A 39 -7.628 -3.459 -6.043 1.00 0.00 C ATOM 475 CG LEU A 39 -7.213 -2.337 -7.033 1.00 0.00 C ATOM 476 CD1 LEU A 39 -7.974 -2.437 -8.331 1.00 0.00 C ATOM 477 CD2 LEU A 39 -7.396 -0.963 -6.471 1.00 0.00 C ATOM 0 H LEU A 39 -7.563 -5.509 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.842 -3.189 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.521 -4.416 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.687 -3.335 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.149 -2.491 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.659 -1.637 -9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.772 -3.401 -8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.042 -2.346 -8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.089 -0.224 -7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.445 -0.810 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.788 -0.853 -5.573 1.00 0.00 H new ATOM 489 N GLY A 40 -6.893 -1.573 -3.332 1.00 0.00 N ATOM 490 CA GLY A 40 -7.461 -0.663 -2.406 1.00 0.00 C ATOM 491 C GLY A 40 -7.078 0.767 -2.704 1.00 0.00 C ATOM 492 O GLY A 40 -6.251 1.024 -3.573 1.00 0.00 O ATOM 0 H GLY A 40 -5.981 -1.301 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.547 -0.758 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.136 -0.922 -1.398 1.00 0.00 H new ATOM 496 N THR A 41 -7.674 1.674 -1.996 1.00 0.00 N ATOM 497 CA THR A 41 -7.444 3.089 -2.159 1.00 0.00 C ATOM 498 C THR A 41 -6.716 3.626 -0.912 1.00 0.00 C ATOM 499 O THR A 41 -7.080 3.288 0.204 1.00 0.00 O ATOM 500 CB THR A 41 -8.804 3.793 -2.278 1.00 0.00 C ATOM 501 OG1 THR A 41 -9.617 3.119 -3.264 1.00 0.00 O ATOM 502 CG2 THR A 41 -8.630 5.241 -2.678 1.00 0.00 C ATOM 0 H THR A 41 -8.353 1.453 -1.268 1.00 0.00 H new ATOM 0 HA THR A 41 -6.841 3.272 -3.049 1.00 0.00 H new ATOM 0 HB THR A 41 -9.294 3.756 -1.305 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.348 3.406 -4.162 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.607 5.717 -2.755 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.034 5.757 -1.926 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.123 5.294 -3.642 1.00 0.00 H new ATOM 510 N ILE A 42 -5.699 4.431 -1.098 1.00 0.00 N ATOM 511 CA ILE A 42 -4.952 4.978 0.036 1.00 0.00 C ATOM 512 C ILE A 42 -5.736 6.109 0.703 1.00 0.00 C ATOM 513 O ILE A 42 -6.185 7.034 0.029 1.00 0.00 O ATOM 514 CB ILE A 42 -3.569 5.514 -0.402 1.00 0.00 C ATOM 515 CG1 ILE A 42 -2.855 4.454 -1.227 1.00 0.00 C ATOM 516 CG2 ILE A 42 -2.731 5.880 0.829 1.00 0.00 C ATOM 517 CD1 ILE A 42 -1.498 4.831 -1.701 1.00 0.00 C ATOM 0 H ILE A 42 -5.362 4.728 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.805 4.164 0.746 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.704 6.410 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.775 3.545 -0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.472 4.214 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.759 6.256 0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.246 6.649 1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.591 4.995 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.073 4.010 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.566 5.720 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.858 5.040 -0.844 1.00 0.00 H new ATOM 529 N ILE A 43 -5.909 6.029 2.004 1.00 0.00 N ATOM 530 CA ILE A 43 -6.605 7.071 2.748 1.00 0.00 C ATOM 531 C ILE A 43 -5.660 7.917 3.563 1.00 0.00 C ATOM 532 O ILE A 43 -5.869 9.114 3.688 1.00 0.00 O ATOM 533 CB ILE A 43 -7.737 6.575 3.684 1.00 0.00 C ATOM 534 CG1 ILE A 43 -7.269 5.406 4.554 1.00 0.00 C ATOM 535 CG2 ILE A 43 -9.000 6.228 2.916 1.00 0.00 C ATOM 536 CD1 ILE A 43 -7.565 4.059 3.998 1.00 0.00 C ATOM 0 H ILE A 43 -5.578 5.252 2.576 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.071 7.661 1.959 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.988 7.401 4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.193 5.493 4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.738 5.490 5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.766 5.885 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.359 7.111 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.783 5.438 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.197 3.294 4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.642 3.946 3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.073 3.948 3.032 1.00 0.00 H new ATOM 548 N ASP A 44 -4.624 7.318 4.108 1.00 0.00 N ATOM 549 CA ASP A 44 -3.680 8.073 4.916 1.00 0.00 C ATOM 550 C ASP A 44 -2.295 7.541 4.688 1.00 0.00 C ATOM 551 O ASP A 44 -2.134 6.411 4.242 1.00 0.00 O ATOM 552 CB ASP A 44 -4.024 8.029 6.411 1.00 0.00 C ATOM 553 CG ASP A 44 -3.225 9.049 7.209 1.00 0.00 C ATOM 554 OD1 ASP A 44 -2.887 10.115 6.646 1.00 0.00 O ATOM 555 OD2 ASP A 44 -2.950 8.830 8.406 1.00 0.00 O1- ATOM 0 H ASP A 44 -4.412 6.325 4.011 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.737 9.117 4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.089 8.218 6.544 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.827 7.030 6.799 1.00 0.00 H new ATOM 560 N GLN A 45 -1.310 8.338 4.949 1.00 0.00 N ATOM 561 CA GLN A 45 0.045 7.938 4.730 1.00 0.00 C ATOM 562 C GLN A 45 0.933 8.379 5.859 1.00 0.00 C ATOM 563 O GLN A 45 0.685 9.406 6.494 1.00 0.00 O ATOM 564 CB GLN A 45 0.564 8.492 3.409 1.00 0.00 C ATOM 565 CG GLN A 45 0.501 10.006 3.271 1.00 0.00 C ATOM 566 CD GLN A 45 1.029 10.483 1.937 1.00 0.00 C ATOM 567 OE1 GLN A 45 2.215 10.773 1.789 1.00 0.00 O ATOM 568 NE2 GLN A 45 0.166 10.570 0.963 1.00 0.00 N ATOM 0 H GLN A 45 -1.420 9.282 5.319 1.00 0.00 H new ATOM 0 HA GLN A 45 0.064 6.849 4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.599 8.175 3.282 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.008 8.045 2.596 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.531 10.337 3.390 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.078 10.466 4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.810 10.321 1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.467 10.887 0.042 1.00 0.00 H new ATOM 577 N THR A 46 1.927 7.592 6.123 1.00 0.00 N ATOM 578 CA THR A 46 2.947 7.904 7.078 1.00 0.00 C ATOM 579 C THR A 46 4.264 7.803 6.335 1.00 0.00 C ATOM 580 O THR A 46 4.262 7.573 5.114 1.00 0.00 O ATOM 581 CB THR A 46 2.941 6.922 8.284 1.00 0.00 C ATOM 582 OG1 THR A 46 3.024 5.576 7.816 1.00 0.00 O ATOM 583 CG2 THR A 46 1.701 7.084 9.138 1.00 0.00 C ATOM 0 H THR A 46 2.057 6.688 5.668 1.00 0.00 H new ATOM 0 HA THR A 46 2.781 8.898 7.493 1.00 0.00 H new ATOM 0 HB THR A 46 3.808 7.156 8.902 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.399 5.449 7.072 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.737 6.380 9.969 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.657 8.101 9.526 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.815 6.888 8.534 1.00 0.00 H new ATOM 591 N SER A 47 5.361 7.947 7.013 1.00 0.00 N ATOM 592 CA SER A 47 6.631 7.848 6.365 1.00 0.00 C ATOM 593 C SER A 47 6.998 6.383 6.059 1.00 0.00 C ATOM 594 O SER A 47 7.741 6.114 5.119 1.00 0.00 O ATOM 595 CB SER A 47 7.683 8.547 7.207 1.00 0.00 C ATOM 596 OG SER A 47 7.264 9.886 7.485 1.00 0.00 O ATOM 0 H SER A 47 5.402 8.133 8.015 1.00 0.00 H new ATOM 0 HA SER A 47 6.580 8.350 5.399 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.838 8.003 8.139 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.637 8.556 6.681 1.00 0.00 H new ATOM 0 HG SER A 47 7.944 10.335 8.030 1.00 0.00 H new ATOM 602 N ASP A 48 6.442 5.440 6.824 1.00 0.00 N ATOM 603 CA ASP A 48 6.742 4.019 6.588 1.00 0.00 C ATOM 604 C ASP A 48 5.583 3.246 6.004 1.00 0.00 C ATOM 605 O ASP A 48 5.796 2.272 5.298 1.00 0.00 O ATOM 606 CB ASP A 48 7.209 3.278 7.844 1.00 0.00 C ATOM 607 CG ASP A 48 8.565 3.682 8.347 1.00 0.00 C ATOM 608 OD1 ASP A 48 9.571 3.447 7.633 1.00 0.00 O ATOM 609 OD2 ASP A 48 8.663 4.177 9.497 1.00 0.00 O1- ATOM 0 H ASP A 48 5.798 5.623 7.593 1.00 0.00 H new ATOM 0 HA ASP A 48 7.555 4.055 5.863 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.479 3.441 8.637 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.219 2.208 7.635 1.00 0.00 H new ATOM 614 N GLN A 49 4.366 3.627 6.311 1.00 0.00 N ATOM 615 CA GLN A 49 3.218 2.850 5.862 1.00 0.00 C ATOM 616 C GLN A 49 2.151 3.710 5.216 1.00 0.00 C ATOM 617 O GLN A 49 2.119 4.934 5.381 1.00 0.00 O ATOM 618 CB GLN A 49 2.600 2.065 7.026 1.00 0.00 C ATOM 619 CG GLN A 49 3.527 1.035 7.661 1.00 0.00 C ATOM 620 CD GLN A 49 2.868 0.266 8.782 1.00 0.00 C ATOM 621 OE1 GLN A 49 2.892 0.682 9.938 1.00 0.00 O ATOM 622 NE2 GLN A 49 2.299 -0.865 8.467 1.00 0.00 N ATOM 0 H GLN A 49 4.139 4.456 6.861 1.00 0.00 H new ATOM 0 HA GLN A 49 3.593 2.157 5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.282 2.770 7.794 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.704 1.557 6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.864 0.336 6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.414 1.539 8.045 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.296 -1.182 7.498 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.857 -1.432 9.190 1.00 0.00 H new ATOM 631 N TYR A 50 1.285 3.063 4.501 1.00 0.00 N ATOM 632 CA TYR A 50 0.166 3.686 3.847 1.00 0.00 C ATOM 633 C TYR A 50 -1.115 2.988 4.286 1.00 0.00 C ATOM 634 O TYR A 50 -1.178 1.762 4.297 1.00 0.00 O ATOM 635 CB TYR A 50 0.333 3.608 2.322 1.00 0.00 C ATOM 636 CG TYR A 50 1.495 4.421 1.784 1.00 0.00 C ATOM 637 CD1 TYR A 50 1.320 5.756 1.519 1.00 0.00 C ATOM 638 CD2 TYR A 50 2.769 3.863 1.553 1.00 0.00 C ATOM 639 CE1 TYR A 50 2.347 6.536 1.043 1.00 0.00 C ATOM 640 CE2 TYR A 50 3.798 4.639 1.076 1.00 0.00 C ATOM 641 CZ TYR A 50 3.585 5.976 0.825 1.00 0.00 C ATOM 642 OH TYR A 50 4.608 6.754 0.328 1.00 0.00 O ATOM 0 H TYR A 50 1.334 2.056 4.349 1.00 0.00 H new ATOM 0 HA TYR A 50 0.115 4.738 4.126 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.469 2.565 2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.587 3.951 1.848 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.352 6.205 1.688 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.938 2.815 1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.183 7.584 0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.770 4.202 0.899 1.00 0.00 H new ATOM 0 HH TYR A 50 5.460 6.282 0.436 1.00 0.00 H new ATOM 652 N LEU A 51 -2.102 3.761 4.681 1.00 0.00 N ATOM 653 CA LEU A 51 -3.367 3.229 5.146 1.00 0.00 C ATOM 654 C LEU A 51 -4.227 3.015 3.939 1.00 0.00 C ATOM 655 O LEU A 51 -4.537 3.973 3.219 1.00 0.00 O ATOM 656 CB LEU A 51 -4.047 4.215 6.105 1.00 0.00 C ATOM 657 CG LEU A 51 -5.304 3.719 6.829 1.00 0.00 C ATOM 658 CD1 LEU A 51 -5.004 2.513 7.688 1.00 0.00 C ATOM 659 CD2 LEU A 51 -5.911 4.830 7.662 1.00 0.00 C ATOM 0 H LEU A 51 -2.051 4.780 4.689 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.211 2.295 5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.318 4.515 6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.310 5.110 5.542 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.028 3.416 6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.916 2.186 8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.624 1.706 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.255 2.776 8.435 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.802 4.460 8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.186 5.167 8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.182 5.664 7.014 1.00 0.00 H new ATOM 671 N ILE A 52 -4.551 1.789 3.672 1.00 0.00 N ATOM 672 CA ILE A 52 -5.285 1.445 2.480 1.00 0.00 C ATOM 673 C ILE A 52 -6.696 0.990 2.819 1.00 0.00 C ATOM 674 O ILE A 52 -6.884 0.201 3.736 1.00 0.00 O ATOM 675 CB ILE A 52 -4.571 0.313 1.701 1.00 0.00 C ATOM 676 CG1 ILE A 52 -3.055 0.571 1.632 1.00 0.00 C ATOM 677 CG2 ILE A 52 -5.151 0.187 0.295 1.00 0.00 C ATOM 678 CD1 ILE A 52 -2.677 1.842 0.933 1.00 0.00 C ATOM 0 H ILE A 52 -4.318 0.995 4.268 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.333 2.341 1.861 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.736 -0.624 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.656 0.595 2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.579 -0.266 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.639 -0.613 -0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.215 -0.043 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.015 1.127 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.592 1.946 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.043 1.815 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.121 2.690 1.454 1.00 0.00 H new ATOM 690 N ARG A 53 -7.654 1.499 2.080 1.00 0.00 N ATOM 691 CA ARG A 53 -9.040 1.130 2.198 1.00 0.00 C ATOM 692 C ARG A 53 -9.375 0.152 1.101 1.00 0.00 C ATOM 693 O ARG A 53 -9.254 0.464 -0.084 1.00 0.00 O ATOM 694 CB ARG A 53 -9.956 2.364 2.107 1.00 0.00 C ATOM 695 CG ARG A 53 -11.442 2.037 2.051 1.00 0.00 C ATOM 696 CD ARG A 53 -12.271 3.287 2.199 1.00 0.00 C ATOM 697 NE ARG A 53 -13.702 3.057 1.976 1.00 0.00 N ATOM 698 CZ ARG A 53 -14.679 3.770 2.556 1.00 0.00 C ATOM 699 NH1 ARG A 53 -14.391 4.632 3.542 1.00 0.00 N1+ ATOM 700 NH2 ARG A 53 -15.945 3.602 2.171 1.00 0.00 N ATOM 0 H ARG A 53 -7.483 2.201 1.360 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.204 0.671 3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.769 3.005 2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.688 2.937 1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.676 1.550 1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.694 1.332 2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.126 3.696 3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.915 4.038 1.493 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.972 2.307 1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.426 4.747 3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.136 5.173 3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.170 2.932 1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.688 4.144 2.612 1.00 0.00 H new ATOM 714 N PHE A 54 -9.760 -1.011 1.490 1.00 0.00 N ATOM 715 CA PHE A 54 -10.092 -2.072 0.566 1.00 0.00 C ATOM 716 C PHE A 54 -11.578 -2.070 0.266 1.00 0.00 C ATOM 717 O PHE A 54 -12.321 -1.264 0.828 1.00 0.00 O ATOM 718 CB PHE A 54 -9.647 -3.407 1.133 1.00 0.00 C ATOM 719 CG PHE A 54 -8.168 -3.473 1.352 1.00 0.00 C ATOM 720 CD1 PHE A 54 -7.614 -3.067 2.550 1.00 0.00 C ATOM 721 CD2 PHE A 54 -7.333 -3.913 0.348 1.00 0.00 C ATOM 722 CE1 PHE A 54 -6.257 -3.103 2.742 1.00 0.00 C ATOM 723 CE2 PHE A 54 -5.974 -3.955 0.537 1.00 0.00 C ATOM 724 CZ PHE A 54 -5.433 -3.549 1.736 1.00 0.00 C ATOM 0 H PHE A 54 -9.859 -1.271 2.471 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.565 -1.905 -0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.159 -3.585 2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.946 -4.205 0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.257 -2.717 3.344 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -7.752 -4.228 -0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.836 -2.781 3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.329 -4.307 -0.255 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.364 -3.581 1.886 1.00 0.00 H new ATOM 734 N ASP A 55 -12.015 -2.976 -0.601 1.00 0.00 N ATOM 735 CA ASP A 55 -13.425 -3.050 -1.025 1.00 0.00 C ATOM 736 C ASP A 55 -14.373 -3.367 0.132 1.00 0.00 C ATOM 737 O ASP A 55 -15.545 -2.984 0.125 1.00 0.00 O ATOM 738 CB ASP A 55 -13.621 -4.039 -2.185 1.00 0.00 C ATOM 739 CG ASP A 55 -15.080 -4.200 -2.589 1.00 0.00 C ATOM 740 OD1 ASP A 55 -15.644 -5.298 -2.400 1.00 0.00 O ATOM 741 OD2 ASP A 55 -15.697 -3.232 -3.095 1.00 0.00 O1- ATOM 0 H ASP A 55 -11.414 -3.679 -1.032 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.685 -2.055 -1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.047 -3.699 -3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.220 -5.011 -1.898 1.00 0.00 H new ATOM 746 N ASP A 56 -13.851 -4.006 1.160 1.00 0.00 N ATOM 747 CA ASP A 56 -14.662 -4.329 2.341 1.00 0.00 C ATOM 748 C ASP A 56 -14.679 -3.113 3.297 1.00 0.00 C ATOM 749 O ASP A 56 -15.211 -3.167 4.408 1.00 0.00 O ATOM 750 CB ASP A 56 -14.075 -5.575 3.043 1.00 0.00 C ATOM 751 CG ASP A 56 -14.956 -6.140 4.152 1.00 0.00 C ATOM 752 OD1 ASP A 56 -14.795 -5.762 5.325 1.00 0.00 O ATOM 753 OD2 ASP A 56 -15.824 -6.988 3.856 1.00 0.00 O1- ATOM 0 H ASP A 56 -12.880 -4.314 1.212 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.687 -4.552 2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.905 -6.352 2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.102 -5.318 3.462 1.00 0.00 H new ATOM 758 N GLN A 57 -14.120 -1.990 2.807 1.00 0.00 N ATOM 759 CA GLN A 57 -14.028 -0.697 3.514 1.00 0.00 C ATOM 760 C GLN A 57 -13.056 -0.774 4.678 1.00 0.00 C ATOM 761 O GLN A 57 -12.958 0.149 5.488 1.00 0.00 O ATOM 762 CB GLN A 57 -15.402 -0.197 3.971 1.00 0.00 C ATOM 763 CG GLN A 57 -16.413 -0.047 2.845 1.00 0.00 C ATOM 764 CD GLN A 57 -17.716 0.563 3.315 1.00 0.00 C ATOM 765 OE1 GLN A 57 -18.123 0.393 4.468 1.00 0.00 O ATOM 766 NE2 GLN A 57 -18.380 1.269 2.441 1.00 0.00 N ATOM 0 H GLN A 57 -13.705 -1.956 1.876 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.640 0.032 2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.800 -0.889 4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -15.280 0.766 4.466 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.987 0.576 2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -16.611 -1.025 2.406 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.013 1.388 1.497 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.266 1.702 2.702 1.00 0.00 H new ATOM 775 N SER A 58 -12.326 -1.863 4.734 1.00 0.00 N ATOM 776 CA SER A 58 -11.355 -2.093 5.757 1.00 0.00 C ATOM 777 C SER A 58 -10.114 -1.248 5.482 1.00 0.00 C ATOM 778 O SER A 58 -9.722 -1.088 4.315 1.00 0.00 O ATOM 779 CB SER A 58 -10.991 -3.564 5.742 1.00 0.00 C ATOM 780 OG SER A 58 -12.161 -4.361 5.718 1.00 0.00 O ATOM 0 H SER A 58 -12.397 -2.621 4.055 1.00 0.00 H new ATOM 0 HA SER A 58 -11.757 -1.817 6.732 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.375 -3.784 4.870 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.396 -3.807 6.622 1.00 0.00 H new ATOM 0 HG SER A 58 -11.911 -5.309 5.707 1.00 0.00 H new ATOM 786 N GLU A 59 -9.522 -0.711 6.525 1.00 0.00 N ATOM 787 CA GLU A 59 -8.337 0.103 6.399 1.00 0.00 C ATOM 788 C GLU A 59 -7.176 -0.613 7.074 1.00 0.00 C ATOM 789 O GLU A 59 -7.300 -1.047 8.225 1.00 0.00 O ATOM 790 CB GLU A 59 -8.535 1.453 7.080 1.00 0.00 C ATOM 791 CG GLU A 59 -9.738 2.243 6.608 1.00 0.00 C ATOM 792 CD GLU A 59 -9.810 3.591 7.271 1.00 0.00 C ATOM 793 OE1 GLU A 59 -9.858 4.611 6.570 1.00 0.00 O ATOM 794 OE2 GLU A 59 -9.780 3.656 8.521 1.00 0.00 O1- ATOM 0 H GLU A 59 -9.849 -0.827 7.484 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.133 0.265 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.626 1.290 8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.640 2.056 6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.689 2.371 5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.648 1.683 6.821 1.00 0.00 H new ATOM 801 N GLN A 60 -6.075 -0.746 6.369 1.00 0.00 N ATOM 802 CA GLN A 60 -4.878 -1.412 6.891 1.00 0.00 C ATOM 803 C GLN A 60 -3.643 -0.597 6.541 1.00 0.00 C ATOM 804 O GLN A 60 -3.579 -0.014 5.457 1.00 0.00 O ATOM 805 CB GLN A 60 -4.738 -2.815 6.267 1.00 0.00 C ATOM 806 CG GLN A 60 -3.505 -3.599 6.703 1.00 0.00 C ATOM 807 CD GLN A 60 -3.370 -4.924 5.982 1.00 0.00 C ATOM 808 OE1 GLN A 60 -3.868 -5.942 6.437 1.00 0.00 O ATOM 809 NE2 GLN A 60 -2.709 -4.925 4.858 1.00 0.00 N ATOM 0 H GLN A 60 -5.973 -0.399 5.415 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.972 -1.500 7.973 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.626 -3.396 6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.719 -2.712 5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.614 -2.998 6.520 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.554 -3.778 7.777 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.304 -4.058 4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.597 -5.792 4.333 1.00 0.00 H new ATOM 818 N TRP A 61 -2.668 -0.589 7.416 1.00 0.00 N ATOM 819 CA TRP A 61 -1.419 0.076 7.159 1.00 0.00 C ATOM 820 C TRP A 61 -0.506 -0.902 6.479 1.00 0.00 C ATOM 821 O TRP A 61 -0.139 -1.934 7.040 1.00 0.00 O ATOM 822 CB TRP A 61 -0.775 0.596 8.453 1.00 0.00 C ATOM 823 CG TRP A 61 -1.454 1.790 9.026 1.00 0.00 C ATOM 824 CD1 TRP A 61 -2.322 1.828 10.069 1.00 0.00 C ATOM 825 CD2 TRP A 61 -1.322 3.134 8.564 1.00 0.00 C ATOM 826 NE1 TRP A 61 -2.740 3.115 10.279 1.00 0.00 N ATOM 827 CE2 TRP A 61 -2.140 3.935 9.364 1.00 0.00 C ATOM 828 CE3 TRP A 61 -0.592 3.731 7.545 1.00 0.00 C ATOM 829 CZ2 TRP A 61 -2.246 5.307 9.173 1.00 0.00 C ATOM 830 CZ3 TRP A 61 -0.699 5.086 7.353 1.00 0.00 C ATOM 831 CH2 TRP A 61 -1.516 5.861 8.155 1.00 0.00 C ATOM 0 H TRP A 61 -2.720 -1.045 8.327 1.00 0.00 H new ATOM 0 HA TRP A 61 -1.597 0.944 6.524 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -0.778 -0.202 9.195 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.268 0.843 8.255 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.636 0.971 10.647 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.394 3.414 11.002 1.00 0.00 H new ATOM 0 HE3 TRP A 61 0.051 3.138 6.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.880 5.914 9.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.135 5.555 6.561 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.580 6.924 7.975 1.00 0.00 H new ATOM 842 N CYS A 62 -0.194 -0.608 5.260 1.00 0.00 N ATOM 843 CA CYS A 62 0.586 -1.475 4.448 1.00 0.00 C ATOM 844 C CYS A 62 1.901 -0.798 4.100 1.00 0.00 C ATOM 845 O CYS A 62 1.985 0.434 4.075 1.00 0.00 O ATOM 846 CB CYS A 62 -0.201 -1.782 3.184 1.00 0.00 C ATOM 847 SG CYS A 62 -1.926 -2.246 3.510 1.00 0.00 S ATOM 0 H CYS A 62 -0.479 0.254 4.796 1.00 0.00 H new ATOM 0 HA CYS A 62 0.804 -2.402 4.979 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.184 -0.909 2.532 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.291 -2.592 2.645 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.484 -1.343 4.261 1.00 0.00 H new ATOM 853 N GLU A 63 2.908 -1.590 3.868 1.00 0.00 N ATOM 854 CA GLU A 63 4.222 -1.106 3.502 1.00 0.00 C ATOM 855 C GLU A 63 4.229 -0.726 2.039 1.00 0.00 C ATOM 856 O GLU A 63 3.498 -1.322 1.249 1.00 0.00 O ATOM 857 CB GLU A 63 5.232 -2.221 3.703 1.00 0.00 C ATOM 858 CG GLU A 63 5.337 -2.689 5.116 1.00 0.00 C ATOM 859 CD GLU A 63 5.837 -4.102 5.196 1.00 0.00 C ATOM 860 OE1 GLU A 63 6.984 -4.327 5.625 1.00 0.00 O ATOM 861 OE2 GLU A 63 5.085 -5.029 4.794 1.00 0.00 O1- ATOM 0 H GLU A 63 2.846 -2.606 3.927 1.00 0.00 H new ATOM 0 HA GLU A 63 4.473 -0.242 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.959 -3.065 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.211 -1.876 3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.010 -2.033 5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.361 -2.621 5.596 1.00 0.00 H new ATOM 868 N PRO A 64 5.093 0.233 1.639 1.00 0.00 N ATOM 869 CA PRO A 64 5.239 0.645 0.234 1.00 0.00 C ATOM 870 C PRO A 64 5.698 -0.543 -0.625 1.00 0.00 C ATOM 871 O PRO A 64 5.437 -0.619 -1.828 1.00 0.00 O ATOM 872 CB PRO A 64 6.304 1.748 0.265 1.00 0.00 C ATOM 873 CG PRO A 64 6.529 2.093 1.703 1.00 0.00 C ATOM 874 CD PRO A 64 5.983 0.974 2.540 1.00 0.00 C ATOM 0 HA PRO A 64 4.303 0.995 -0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.229 1.405 -0.199 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.971 2.622 -0.295 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.592 2.232 1.900 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.033 3.031 1.952 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.782 0.337 2.919 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.442 1.355 3.406 1.00 0.00 H new ATOM 882 N ASP A 65 6.321 -1.494 0.062 1.00 0.00 N ATOM 883 CA ASP A 65 6.776 -2.778 -0.480 1.00 0.00 C ATOM 884 C ASP A 65 5.599 -3.620 -0.979 1.00 0.00 C ATOM 885 O ASP A 65 5.734 -4.409 -1.913 1.00 0.00 O ATOM 886 CB ASP A 65 7.539 -3.542 0.633 1.00 0.00 C ATOM 887 CG ASP A 65 7.712 -5.041 0.383 1.00 0.00 C ATOM 888 OD1 ASP A 65 8.499 -5.433 -0.481 1.00 0.00 O ATOM 889 OD2 ASP A 65 7.071 -5.857 1.104 1.00 0.00 O1- ATOM 0 H ASP A 65 6.534 -1.391 1.054 1.00 0.00 H new ATOM 0 HA ASP A 65 7.432 -2.592 -1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.525 -3.092 0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.010 -3.404 1.576 1.00 0.00 H new ATOM 894 N LYS A 66 4.446 -3.415 -0.388 1.00 0.00 N ATOM 895 CA LYS A 66 3.271 -4.202 -0.707 1.00 0.00 C ATOM 896 C LYS A 66 2.368 -3.496 -1.705 1.00 0.00 C ATOM 897 O LYS A 66 1.420 -4.080 -2.193 1.00 0.00 O ATOM 898 CB LYS A 66 2.471 -4.491 0.564 1.00 0.00 C ATOM 899 CG LYS A 66 3.210 -5.287 1.624 1.00 0.00 C ATOM 900 CD LYS A 66 3.696 -6.619 1.093 1.00 0.00 C ATOM 901 CE LYS A 66 4.239 -7.496 2.201 1.00 0.00 C ATOM 902 NZ LYS A 66 5.382 -6.873 2.909 1.00 0.00 N1+ ATOM 0 H LYS A 66 4.292 -2.702 0.325 1.00 0.00 H new ATOM 0 HA LYS A 66 3.620 -5.132 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.155 -3.543 0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.566 -5.033 0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.060 -4.708 1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.552 -5.454 2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.876 -7.132 0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.473 -6.452 0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.444 -7.706 2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.553 -8.452 1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.018 -7.616 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.902 -6.255 2.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.030 -6.310 3.709 1.00 0.00 H new ATOM 916 N LEU A 67 2.682 -2.271 -2.019 1.00 0.00 N ATOM 917 CA LEU A 67 1.839 -1.458 -2.866 1.00 0.00 C ATOM 918 C LEU A 67 2.358 -1.420 -4.274 1.00 0.00 C ATOM 919 O LEU A 67 3.578 -1.482 -4.491 1.00 0.00 O ATOM 920 CB LEU A 67 1.777 -0.048 -2.316 1.00 0.00 C ATOM 921 CG LEU A 67 1.043 0.125 -1.005 1.00 0.00 C ATOM 922 CD1 LEU A 67 1.834 0.964 -0.057 1.00 0.00 C ATOM 923 CD2 LEU A 67 -0.240 0.793 -1.258 1.00 0.00 C ATOM 0 H LEU A 67 3.529 -1.803 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 67 0.843 -1.900 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.797 0.315 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.302 0.590 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 67 0.889 -0.860 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.284 1.073 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.793 0.485 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.003 1.947 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.775 0.921 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.059 1.769 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.839 0.185 -1.936 1.00 0.00 H new ATOM 935 N ARG A 68 1.451 -1.329 -5.225 1.00 0.00 N ATOM 936 CA ARG A 68 1.790 -1.215 -6.640 1.00 0.00 C ATOM 937 C ARG A 68 0.852 -0.241 -7.320 1.00 0.00 C ATOM 938 O ARG A 68 -0.366 -0.324 -7.117 1.00 0.00 O ATOM 939 CB ARG A 68 1.662 -2.570 -7.361 1.00 0.00 C ATOM 940 CG ARG A 68 2.579 -3.663 -6.863 1.00 0.00 C ATOM 941 CD ARG A 68 4.040 -3.281 -7.038 1.00 0.00 C ATOM 942 NE ARG A 68 4.944 -4.366 -6.658 1.00 0.00 N ATOM 943 CZ ARG A 68 5.711 -4.374 -5.555 1.00 0.00 C ATOM 944 NH1 ARG A 68 5.578 -3.420 -4.632 1.00 0.00 N1+ ATOM 945 NH2 ARG A 68 6.582 -5.355 -5.360 1.00 0.00 N ATOM 0 H ARG A 68 0.448 -1.332 -5.042 1.00 0.00 H new ATOM 0 HA ARG A 68 2.822 -0.868 -6.698 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.632 -2.914 -7.269 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.853 -2.416 -8.423 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.376 -3.859 -5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.375 -4.587 -7.405 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.220 -3.007 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.258 -2.400 -6.434 1.00 0.00 H new ATOM 0 HE ARG A 68 4.996 -5.176 -7.276 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.890 -2.678 -4.761 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.164 -3.433 -3.797 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.670 -6.103 -6.047 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.164 -5.361 -4.523 1.00 0.00 H new ATOM 959 N LYS A 69 1.404 0.687 -8.108 1.00 0.00 N ATOM 960 CA LYS A 69 0.583 1.567 -8.925 1.00 0.00 C ATOM 961 C LYS A 69 -0.108 0.749 -9.994 1.00 0.00 C ATOM 962 O LYS A 69 0.508 -0.151 -10.586 1.00 0.00 O ATOM 963 CB LYS A 69 1.394 2.685 -9.627 1.00 0.00 C ATOM 964 CG LYS A 69 1.809 3.881 -8.773 1.00 0.00 C ATOM 965 CD LYS A 69 2.949 3.607 -7.835 1.00 0.00 C ATOM 966 CE LYS A 69 3.449 4.905 -7.179 1.00 0.00 C ATOM 967 NZ LYS A 69 2.350 5.798 -6.715 1.00 0.00 N1+ ATOM 0 H LYS A 69 2.408 0.843 -8.193 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.128 2.045 -8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.296 2.238 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.804 3.056 -10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.086 4.704 -9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.949 4.214 -8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.629 2.906 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.766 3.132 -8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.084 4.652 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.070 5.447 -7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.729 6.495 -6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.938 6.294 -7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.615 5.230 -6.247 1.00 0.00 H new ATOM 981 N LEU A 70 -1.373 1.044 -10.228 1.00 0.00 N ATOM 982 CA LEU A 70 -2.140 0.355 -11.272 1.00 0.00 C ATOM 983 C LEU A 70 -1.633 0.822 -12.626 1.00 0.00 C ATOM 984 O LEU A 70 -1.625 0.081 -13.620 1.00 0.00 O ATOM 985 CB LEU A 70 -3.632 0.694 -11.161 1.00 0.00 C ATOM 986 CG LEU A 70 -4.257 0.601 -9.771 1.00 0.00 C ATOM 987 CD1 LEU A 70 -5.736 0.817 -9.834 1.00 0.00 C ATOM 988 CD2 LEU A 70 -3.957 -0.707 -9.103 1.00 0.00 C ATOM 0 H LEU A 70 -1.898 1.753 -9.716 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.015 -0.722 -11.156 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.779 1.708 -11.532 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.182 0.028 -11.826 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.808 1.392 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.157 0.746 -8.831 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.942 1.805 -10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.188 0.057 -10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.422 -0.727 -8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.352 -1.523 -9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.878 -0.823 -8.998 1.00 0.00 H new