USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 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 51 ASN : amide:sc= -0.0648 K(o=-0.065,f=-2!) USER MOD Set 1.2: A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 GLN : amide:sc= -0.889 K(o=-12,f=-10) USER MOD Set 2.2: A 38 CYS SG : rot -131:sc= -11.1! USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0.93 USER MOD Set 3.2: A 31 LYS NZ :NH3+ -141:sc= 1.09 (180deg=0) USER MOD Set 4.1: A 9 SER OG : rot 4:sc= 0.701 USER MOD Set 4.2: A 11 GLN : amide:sc= -2.04 X(o=-1.3,f=-1.5!) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= 0.102 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -3.83 K(o=-3.8,f=-1.7!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.15 K(o=-2.1,f=-0.72) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 156:sc= -0.0212 (180deg=-0.515) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.56 USER MOD Single : A 44 GLN : amide:sc= -0.0155 X(o=-0.015,f=-0.079) USER MOD Single : A 52 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.0206) USER MOD ----------------------------------------------------------------- ATOM 201 N SER A 9 12.740 -1.246 1.135 1.00 0.00 N ATOM 202 CA SER A 9 13.333 -2.570 0.970 1.00 0.00 C ATOM 203 C SER A 9 12.328 -3.512 0.302 1.00 0.00 C ATOM 204 O SER A 9 11.244 -3.077 -0.087 1.00 0.00 O ATOM 205 CB SER A 9 13.753 -3.107 2.343 1.00 0.00 C ATOM 206 OG SER A 9 13.634 -2.109 3.343 1.00 0.00 O ATOM 0 HA SER A 9 14.214 -2.504 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.134 -3.964 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.783 -3.460 2.299 1.00 0.00 H new ATOM 0 HG SER A 9 13.247 -1.298 2.952 1.00 0.00 H new ATOM 212 N PRO A 10 12.639 -4.821 0.168 1.00 0.00 N ATOM 213 CA PRO A 10 11.706 -5.772 -0.443 1.00 0.00 C ATOM 214 C PRO A 10 10.345 -5.710 0.233 1.00 0.00 C ATOM 215 O PRO A 10 9.326 -6.087 -0.344 1.00 0.00 O ATOM 216 CB PRO A 10 12.364 -7.141 -0.218 1.00 0.00 C ATOM 217 CG PRO A 10 13.418 -6.902 0.809 1.00 0.00 C ATOM 218 CD PRO A 10 13.873 -5.485 0.608 1.00 0.00 C ATOM 0 HA PRO A 10 11.528 -5.561 -1.497 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.637 -7.876 0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.794 -7.528 -1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.024 -7.047 1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.247 -7.600 0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.264 -5.049 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.663 -5.413 -0.140 1.00 0.00 H new ATOM 226 N GLN A 11 10.344 -5.207 1.466 1.00 0.00 N ATOM 227 CA GLN A 11 9.125 -5.061 2.245 1.00 0.00 C ATOM 228 C GLN A 11 8.051 -4.336 1.447 1.00 0.00 C ATOM 229 O GLN A 11 6.873 -4.480 1.729 1.00 0.00 O ATOM 230 CB GLN A 11 9.423 -4.302 3.539 1.00 0.00 C ATOM 231 CG GLN A 11 10.433 -5.005 4.433 1.00 0.00 C ATOM 232 CD GLN A 11 11.658 -4.155 4.714 1.00 0.00 C ATOM 233 OE1 GLN A 11 12.785 -4.650 4.712 1.00 0.00 O ATOM 234 NE2 GLN A 11 11.441 -2.868 4.959 1.00 0.00 N ATOM 0 H GLN A 11 11.186 -4.892 1.948 1.00 0.00 H new ATOM 0 HA GLN A 11 8.752 -6.056 2.489 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.798 -3.309 3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.494 -4.163 4.092 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.955 -5.269 5.376 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.743 -5.937 3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.490 -2.501 4.950 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.226 -2.247 5.156 1.00 0.00 H new ATOM 243 N ALA A 12 8.449 -3.569 0.437 1.00 0.00 N ATOM 244 CA ALA A 12 7.474 -2.860 -0.386 1.00 0.00 C ATOM 245 C ALA A 12 6.323 -3.796 -0.755 1.00 0.00 C ATOM 246 O ALA A 12 5.159 -3.539 -0.431 1.00 0.00 O ATOM 247 CB ALA A 12 8.138 -2.309 -1.639 1.00 0.00 C ATOM 0 H ALA A 12 9.423 -3.423 0.171 1.00 0.00 H new ATOM 0 HA ALA A 12 7.074 -2.022 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.398 -1.783 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.932 -1.618 -1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.560 -3.130 -2.218 1.00 0.00 H new ATOM 253 N ARG A 13 6.671 -4.900 -1.407 1.00 0.00 N ATOM 254 CA ARG A 13 5.696 -5.903 -1.809 1.00 0.00 C ATOM 255 C ARG A 13 5.355 -6.823 -0.641 1.00 0.00 C ATOM 256 O ARG A 13 4.213 -7.253 -0.490 1.00 0.00 O ATOM 257 CB ARG A 13 6.248 -6.734 -2.968 1.00 0.00 C ATOM 258 CG ARG A 13 7.460 -7.569 -2.586 1.00 0.00 C ATOM 259 CD ARG A 13 8.454 -7.675 -3.732 1.00 0.00 C ATOM 260 NE ARG A 13 8.596 -9.049 -4.210 1.00 0.00 N ATOM 261 CZ ARG A 13 9.557 -9.884 -3.815 1.00 0.00 C ATOM 262 NH1 ARG A 13 10.460 -9.501 -2.920 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.612 -11.111 -4.314 1.00 0.00 N ATOM 0 H ARG A 13 7.631 -5.123 -1.670 1.00 0.00 H new ATOM 0 HA ARG A 13 4.789 -5.389 -2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.463 -7.394 -3.339 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.518 -6.068 -3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.950 -7.124 -1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.136 -8.567 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.129 -7.037 -4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.425 -7.303 -3.405 1.00 0.00 H new ATOM 0 HE ARG A 13 7.916 -9.391 -4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.422 -8.560 -2.528 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.191 -10.148 -2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.920 -11.415 -4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.347 -11.751 -4.013 1.00 0.00 H new ATOM 277 N ALA A 14 6.361 -7.127 0.176 1.00 0.00 N ATOM 278 CA ALA A 14 6.176 -8.003 1.326 1.00 0.00 C ATOM 279 C ALA A 14 5.218 -7.387 2.339 1.00 0.00 C ATOM 280 O ALA A 14 4.265 -8.028 2.782 1.00 0.00 O ATOM 281 CB ALA A 14 7.518 -8.301 1.979 1.00 0.00 C ATOM 0 H ALA A 14 7.313 -6.778 0.061 1.00 0.00 H new ATOM 0 HA ALA A 14 5.737 -8.937 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.368 -8.956 2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.172 -8.791 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.976 -7.369 2.310 1.00 0.00 H new ATOM 287 N PHE A 15 5.482 -6.136 2.701 1.00 0.00 N ATOM 288 CA PHE A 15 4.656 -5.417 3.656 1.00 0.00 C ATOM 289 C PHE A 15 3.212 -5.385 3.188 1.00 0.00 C ATOM 290 O PHE A 15 2.300 -5.687 3.957 1.00 0.00 O ATOM 291 CB PHE A 15 5.208 -3.992 3.899 1.00 0.00 C ATOM 292 CG PHE A 15 4.666 -2.911 2.985 1.00 0.00 C ATOM 293 CD1 PHE A 15 3.318 -2.583 2.983 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.514 -2.220 2.129 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.829 -1.601 2.145 1.00 0.00 C ATOM 296 CE2 PHE A 15 5.028 -1.233 1.292 1.00 0.00 C ATOM 297 CZ PHE A 15 3.684 -0.925 1.300 1.00 0.00 C ATOM 0 H PHE A 15 6.270 -5.597 2.342 1.00 0.00 H new ATOM 0 HA PHE A 15 4.687 -5.944 4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.994 -3.711 4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.293 -4.020 3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.642 -3.103 3.646 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.568 -2.457 2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.776 -1.362 2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.700 -0.704 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.301 -0.156 0.646 1.00 0.00 H new ATOM 307 N LEU A 16 3.000 -5.028 1.926 1.00 0.00 N ATOM 308 CA LEU A 16 1.649 -4.982 1.393 1.00 0.00 C ATOM 309 C LEU A 16 1.138 -6.389 1.131 1.00 0.00 C ATOM 310 O LEU A 16 -0.066 -6.642 1.173 1.00 0.00 O ATOM 311 CB LEU A 16 1.571 -4.140 0.123 1.00 0.00 C ATOM 312 CG LEU A 16 0.250 -3.381 -0.043 1.00 0.00 C ATOM 313 CD1 LEU A 16 0.473 -1.879 0.060 1.00 0.00 C ATOM 314 CD2 LEU A 16 -0.421 -3.744 -1.363 1.00 0.00 C ATOM 0 H LEU A 16 3.733 -4.771 1.265 1.00 0.00 H new ATOM 0 HA LEU A 16 1.014 -4.507 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.392 -3.423 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.716 -4.789 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.417 -3.678 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.478 -1.361 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.895 -1.640 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.162 -1.559 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.357 -3.193 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.239 -3.484 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.626 -4.814 -1.385 1.00 0.00 H new ATOM 326 N GLU A 17 2.063 -7.315 0.887 1.00 0.00 N ATOM 327 CA GLU A 17 1.695 -8.705 0.654 1.00 0.00 C ATOM 328 C GLU A 17 0.880 -9.212 1.831 1.00 0.00 C ATOM 329 O GLU A 17 -0.271 -9.613 1.674 1.00 0.00 O ATOM 330 CB GLU A 17 2.945 -9.566 0.457 1.00 0.00 C ATOM 331 CG GLU A 17 3.194 -9.951 -0.992 1.00 0.00 C ATOM 332 CD GLU A 17 2.817 -11.390 -1.286 1.00 0.00 C ATOM 333 OE1 GLU A 17 1.918 -11.920 -0.599 1.00 0.00 O ATOM 334 OE2 GLU A 17 3.420 -11.986 -2.202 1.00 0.00 O ATOM 0 H GLU A 17 3.065 -7.128 0.846 1.00 0.00 H new ATOM 0 HA GLU A 17 1.095 -8.770 -0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.812 -9.025 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.850 -10.473 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.623 -9.289 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.247 -9.800 -1.228 1.00 0.00 H new ATOM 341 N GLN A 18 1.478 -9.159 3.014 1.00 0.00 N ATOM 342 CA GLN A 18 0.801 -9.585 4.230 1.00 0.00 C ATOM 343 C GLN A 18 -0.408 -8.692 4.494 1.00 0.00 C ATOM 344 O GLN A 18 -1.422 -9.145 5.026 1.00 0.00 O ATOM 345 CB GLN A 18 1.759 -9.555 5.425 1.00 0.00 C ATOM 346 CG GLN A 18 2.682 -8.346 5.450 1.00 0.00 C ATOM 347 CD GLN A 18 2.508 -7.500 6.697 1.00 0.00 C ATOM 348 OE1 GLN A 18 3.483 -7.041 7.291 1.00 0.00 O ATOM 349 NE2 GLN A 18 1.260 -7.289 7.101 1.00 0.00 N ATOM 0 H GLN A 18 2.431 -8.825 3.157 1.00 0.00 H new ATOM 0 HA GLN A 18 0.460 -10.611 4.095 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.175 -9.572 6.345 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.365 -10.461 5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.717 -8.683 5.386 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.492 -7.731 4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.480 -7.689 6.579 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.082 -6.727 7.934 1.00 0.00 H new ATOM 358 N VAL A 19 -0.302 -7.422 4.099 1.00 0.00 N ATOM 359 CA VAL A 19 -1.398 -6.470 4.276 1.00 0.00 C ATOM 360 C VAL A 19 -2.652 -6.976 3.569 1.00 0.00 C ATOM 361 O VAL A 19 -3.690 -7.189 4.196 1.00 0.00 O ATOM 362 CB VAL A 19 -1.023 -5.072 3.730 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.241 -4.165 3.633 1.00 0.00 C ATOM 364 CG2 VAL A 19 0.045 -4.428 4.600 1.00 0.00 C ATOM 0 H VAL A 19 0.529 -7.031 3.656 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.592 -6.380 5.345 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.625 -5.207 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.940 -3.192 3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.975 -4.611 2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.682 -4.041 4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.296 -3.445 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.331 -4.321 5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.936 -5.056 4.606 1.00 0.00 H new ATOM 374 N PHE A 20 -2.539 -7.182 2.261 1.00 0.00 N ATOM 375 CA PHE A 20 -3.655 -7.682 1.467 1.00 0.00 C ATOM 376 C PHE A 20 -3.944 -9.143 1.814 1.00 0.00 C ATOM 377 O PHE A 20 -4.982 -9.687 1.440 1.00 0.00 O ATOM 378 CB PHE A 20 -3.344 -7.543 -0.027 1.00 0.00 C ATOM 379 CG PHE A 20 -4.284 -8.300 -0.924 1.00 0.00 C ATOM 380 CD1 PHE A 20 -4.106 -9.655 -1.148 1.00 0.00 C ATOM 381 CD2 PHE A 20 -5.344 -7.656 -1.543 1.00 0.00 C ATOM 382 CE1 PHE A 20 -4.967 -10.356 -1.972 1.00 0.00 C ATOM 383 CE2 PHE A 20 -6.209 -8.351 -2.368 1.00 0.00 C ATOM 384 CZ PHE A 20 -6.020 -9.702 -2.583 1.00 0.00 C ATOM 0 H PHE A 20 -1.686 -7.010 1.729 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.540 -7.089 1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.373 -6.487 -0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.327 -7.890 -0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.284 -10.171 -0.673 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.496 -6.599 -1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.817 -11.413 -2.138 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.032 -7.838 -2.844 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.694 -10.247 -3.228 1.00 0.00 H new ATOM 394 N ARG A 21 -3.018 -9.771 2.534 1.00 0.00 N ATOM 395 CA ARG A 21 -3.176 -11.161 2.935 1.00 0.00 C ATOM 396 C ARG A 21 -4.017 -11.258 4.202 1.00 0.00 C ATOM 397 O ARG A 21 -4.802 -12.190 4.370 1.00 0.00 O ATOM 398 CB ARG A 21 -1.805 -11.798 3.164 1.00 0.00 C ATOM 399 CG ARG A 21 -1.659 -13.173 2.537 1.00 0.00 C ATOM 400 CD ARG A 21 -1.239 -13.071 1.081 1.00 0.00 C ATOM 401 NE ARG A 21 -1.425 -14.332 0.366 1.00 0.00 N ATOM 402 CZ ARG A 21 -0.594 -15.368 0.462 1.00 0.00 C ATOM 403 NH1 ARG A 21 0.479 -15.298 1.240 1.00 0.00 N ATOM 404 NH2 ARG A 21 -0.838 -16.476 -0.223 1.00 0.00 N ATOM 0 H ARG A 21 -2.151 -9.337 2.850 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.689 -11.698 2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.036 -11.140 2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.625 -11.876 4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.920 -13.752 3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.605 -13.711 2.609 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.818 -12.288 0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.192 -12.775 1.026 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.239 -14.424 -0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.671 -14.447 1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.112 -16.095 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.661 -16.534 -0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.203 -17.271 -0.151 1.00 0.00 H new ATOM 418 N ARG A 22 -3.851 -10.280 5.086 1.00 0.00 N ATOM 419 CA ARG A 22 -4.599 -10.241 6.336 1.00 0.00 C ATOM 420 C ARG A 22 -6.092 -10.159 6.053 1.00 0.00 C ATOM 421 O ARG A 22 -6.905 -10.778 6.739 1.00 0.00 O ATOM 422 CB ARG A 22 -4.161 -9.038 7.170 1.00 0.00 C ATOM 423 CG ARG A 22 -2.865 -9.261 7.932 1.00 0.00 C ATOM 424 CD ARG A 22 -2.108 -7.957 8.141 1.00 0.00 C ATOM 425 NE ARG A 22 -2.538 -7.263 9.355 1.00 0.00 N ATOM 426 CZ ARG A 22 -3.513 -6.355 9.390 1.00 0.00 C ATOM 427 NH1 ARG A 22 -4.170 -6.024 8.285 1.00 0.00 N ATOM 428 NH2 ARG A 22 -3.833 -5.775 10.539 1.00 0.00 N ATOM 0 H ARG A 22 -3.203 -9.502 4.959 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.396 -11.155 6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.042 -8.176 6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.951 -8.792 7.879 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.084 -9.715 8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.237 -9.964 7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.039 -8.164 8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.260 -7.307 7.279 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.062 -7.488 10.229 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.930 -6.466 7.397 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.914 -5.328 8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.333 -6.024 11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.579 -5.080 10.569 1.00 0.00 H new ATOM 442 N LYS A 23 -6.436 -9.391 5.028 1.00 0.00 N ATOM 443 CA LYS A 23 -7.826 -9.218 4.626 1.00 0.00 C ATOM 444 C LYS A 23 -7.904 -8.602 3.228 1.00 0.00 C ATOM 445 O LYS A 23 -7.029 -8.837 2.397 1.00 0.00 O ATOM 446 CB LYS A 23 -8.581 -8.362 5.648 1.00 0.00 C ATOM 447 CG LYS A 23 -8.206 -6.887 5.619 1.00 0.00 C ATOM 448 CD LYS A 23 -9.160 -6.027 6.443 1.00 0.00 C ATOM 449 CE LYS A 23 -10.589 -6.555 6.428 1.00 0.00 C ATOM 450 NZ LYS A 23 -11.529 -5.633 7.123 1.00 0.00 N ATOM 0 H LYS A 23 -5.767 -8.875 4.456 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.303 -10.198 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.651 -8.458 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.391 -8.755 6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.192 -6.765 5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.204 -6.536 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.805 -5.982 7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.149 -5.008 6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.914 -6.695 5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.620 -7.534 6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.281 -6.185 7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.012 -5.087 7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.951 -4.981 6.431 1.00 0.00 H new ATOM 464 N GLN A 24 -8.953 -7.826 2.958 1.00 0.00 N ATOM 465 CA GLN A 24 -9.115 -7.209 1.647 1.00 0.00 C ATOM 466 C GLN A 24 -9.733 -5.822 1.749 1.00 0.00 C ATOM 467 O GLN A 24 -9.253 -4.867 1.140 1.00 0.00 O ATOM 468 CB GLN A 24 -9.998 -8.086 0.758 1.00 0.00 C ATOM 469 CG GLN A 24 -9.706 -9.573 0.876 1.00 0.00 C ATOM 470 CD GLN A 24 -8.488 -9.994 0.076 1.00 0.00 C ATOM 471 OE1 GLN A 24 -8.366 -9.669 -1.105 1.00 0.00 O ATOM 472 NE2 GLN A 24 -7.582 -10.722 0.717 1.00 0.00 N ATOM 0 H GLN A 24 -9.695 -7.612 3.624 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.122 -7.112 1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -11.043 -7.909 1.013 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.868 -7.781 -0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.553 -9.827 1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.573 -10.138 0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.725 -10.968 1.697 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.742 -11.036 0.230 1.00 0.00 H new ATOM 481 N SER A 25 -10.822 -5.730 2.496 1.00 0.00 N ATOM 482 CA SER A 25 -11.540 -4.472 2.653 1.00 0.00 C ATOM 483 C SER A 25 -10.854 -3.521 3.634 1.00 0.00 C ATOM 484 O SER A 25 -11.384 -3.238 4.708 1.00 0.00 O ATOM 485 CB SER A 25 -12.972 -4.751 3.109 1.00 0.00 C ATOM 486 OG SER A 25 -13.765 -3.577 3.049 1.00 0.00 O ATOM 0 H SER A 25 -11.230 -6.514 3.005 1.00 0.00 H new ATOM 0 HA SER A 25 -11.545 -3.977 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.413 -5.524 2.480 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.964 -5.136 4.129 1.00 0.00 H new ATOM 0 HG SER A 25 -14.677 -3.783 3.344 1.00 0.00 H new ATOM 492 N LEU A 26 -9.689 -3.004 3.247 1.00 0.00 N ATOM 493 CA LEU A 26 -8.964 -2.056 4.089 1.00 0.00 C ATOM 494 C LEU A 26 -9.639 -0.687 4.024 1.00 0.00 C ATOM 495 O LEU A 26 -9.589 -0.012 2.996 1.00 0.00 O ATOM 496 CB LEU A 26 -7.499 -1.932 3.645 1.00 0.00 C ATOM 497 CG LEU A 26 -6.656 -3.216 3.709 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.229 -2.900 4.146 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.280 -4.240 4.647 1.00 0.00 C ATOM 0 H LEU A 26 -9.230 -3.224 2.363 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.982 -2.426 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.483 -1.563 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.017 -1.175 4.264 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.629 -3.646 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.648 -3.821 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.773 -2.214 3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.245 -2.439 5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.661 -5.137 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.349 -3.820 5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.278 -4.498 4.292 1.00 0.00 H new ATOM 511 N ASN A 27 -10.282 -0.285 5.118 1.00 0.00 N ATOM 512 CA ASN A 27 -10.976 1.005 5.161 1.00 0.00 C ATOM 513 C ASN A 27 -10.079 2.096 5.737 1.00 0.00 C ATOM 514 O ASN A 27 -8.952 1.835 6.147 1.00 0.00 O ATOM 515 CB ASN A 27 -12.279 0.913 5.974 1.00 0.00 C ATOM 516 CG ASN A 27 -12.329 -0.288 6.901 1.00 0.00 C ATOM 517 OD1 ASN A 27 -12.981 -1.289 6.606 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.638 -0.190 8.030 1.00 0.00 N ATOM 0 H ASN A 27 -10.338 -0.826 5.981 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.228 1.268 4.134 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.395 1.822 6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.124 0.868 5.287 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.634 -0.964 8.694 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.111 0.659 8.234 1.00 0.00 H new ATOM 525 N SER A 28 -10.593 3.326 5.758 1.00 0.00 N ATOM 526 CA SER A 28 -9.847 4.473 6.276 1.00 0.00 C ATOM 527 C SER A 28 -9.164 4.144 7.603 1.00 0.00 C ATOM 528 O SER A 28 -8.116 4.701 7.930 1.00 0.00 O ATOM 529 CB SER A 28 -10.780 5.672 6.455 1.00 0.00 C ATOM 530 OG SER A 28 -10.785 6.490 5.297 1.00 0.00 O ATOM 0 H SER A 28 -11.528 3.554 5.420 1.00 0.00 H new ATOM 0 HA SER A 28 -9.073 4.721 5.550 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.791 5.322 6.662 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.463 6.258 7.317 1.00 0.00 H new ATOM 0 HG SER A 28 -11.390 7.249 5.435 1.00 0.00 H new ATOM 536 N LYS A 29 -9.763 3.236 8.362 1.00 0.00 N ATOM 537 CA LYS A 29 -9.211 2.832 9.644 1.00 0.00 C ATOM 538 C LYS A 29 -8.081 1.833 9.448 1.00 0.00 C ATOM 539 O LYS A 29 -7.018 1.952 10.053 1.00 0.00 O ATOM 540 CB LYS A 29 -10.307 2.216 10.510 1.00 0.00 C ATOM 541 CG LYS A 29 -11.283 3.232 11.086 1.00 0.00 C ATOM 542 CD LYS A 29 -10.560 4.400 11.737 1.00 0.00 C ATOM 543 CE LYS A 29 -10.589 5.635 10.851 1.00 0.00 C ATOM 544 NZ LYS A 29 -10.648 6.891 11.650 1.00 0.00 N ATOM 0 H LYS A 29 -10.632 2.766 8.110 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.811 3.714 10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.862 1.491 9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.843 1.667 11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.933 3.603 10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.923 2.745 11.821 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.024 4.628 12.696 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.526 4.121 11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.702 5.649 10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.453 5.586 10.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.666 7.710 11.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.508 6.890 12.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.811 6.951 12.265 1.00 0.00 H new ATOM 558 N GLU A 30 -8.315 0.858 8.582 1.00 0.00 N ATOM 559 CA GLU A 30 -7.319 -0.154 8.289 1.00 0.00 C ATOM 560 C GLU A 30 -6.204 0.451 7.458 1.00 0.00 C ATOM 561 O GLU A 30 -5.045 0.110 7.622 1.00 0.00 O ATOM 562 CB GLU A 30 -7.946 -1.329 7.541 1.00 0.00 C ATOM 563 CG GLU A 30 -9.085 -1.996 8.298 1.00 0.00 C ATOM 564 CD GLU A 30 -8.856 -3.479 8.525 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.894 -4.029 7.948 1.00 0.00 O ATOM 566 OE2 GLU A 30 -9.640 -4.091 9.281 1.00 0.00 O ATOM 0 H GLU A 30 -9.190 0.749 8.070 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.911 -0.523 9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.317 -0.979 6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.174 -2.071 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.213 -1.502 9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.013 -1.858 7.743 1.00 0.00 H new ATOM 573 N LYS A 31 -6.563 1.365 6.573 1.00 0.00 N ATOM 574 CA LYS A 31 -5.583 2.024 5.733 1.00 0.00 C ATOM 575 C LYS A 31 -4.600 2.805 6.596 1.00 0.00 C ATOM 576 O LYS A 31 -3.418 2.896 6.281 1.00 0.00 O ATOM 577 CB LYS A 31 -6.293 2.944 4.738 1.00 0.00 C ATOM 578 CG LYS A 31 -6.458 4.372 5.225 1.00 0.00 C ATOM 579 CD LYS A 31 -7.071 5.257 4.157 1.00 0.00 C ATOM 580 CE LYS A 31 -7.507 6.597 4.725 1.00 0.00 C ATOM 581 NZ LYS A 31 -8.501 7.277 3.847 1.00 0.00 N ATOM 0 H LYS A 31 -7.525 1.666 6.419 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.022 1.277 5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.732 2.953 3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.277 2.531 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.088 4.384 6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.487 4.772 5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.348 5.418 3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.929 4.752 3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.939 6.448 5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.635 7.239 4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.305 8.298 3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.434 6.892 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.459 7.116 4.218 1.00 0.00 H new ATOM 595 N GLU A 32 -5.104 3.361 7.692 1.00 0.00 N ATOM 596 CA GLU A 32 -4.275 4.129 8.611 1.00 0.00 C ATOM 597 C GLU A 32 -3.670 3.215 9.672 1.00 0.00 C ATOM 598 O GLU A 32 -2.529 3.402 10.097 1.00 0.00 O ATOM 599 CB GLU A 32 -5.107 5.234 9.270 1.00 0.00 C ATOM 600 CG GLU A 32 -6.083 4.728 10.323 1.00 0.00 C ATOM 601 CD GLU A 32 -6.727 5.852 11.113 1.00 0.00 C ATOM 602 OE1 GLU A 32 -6.326 7.019 10.922 1.00 0.00 O ATOM 603 OE2 GLU A 32 -7.632 5.564 11.923 1.00 0.00 O ATOM 0 H GLU A 32 -6.084 3.294 7.965 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.462 4.589 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.433 5.956 9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.664 5.765 8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.861 4.138 9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.559 4.062 11.008 1.00 0.00 H new ATOM 610 N GLU A 33 -4.449 2.222 10.090 1.00 0.00 N ATOM 611 CA GLU A 33 -4.013 1.265 11.095 1.00 0.00 C ATOM 612 C GLU A 33 -3.016 0.275 10.503 1.00 0.00 C ATOM 613 O GLU A 33 -2.066 -0.142 11.164 1.00 0.00 O ATOM 614 CB GLU A 33 -5.228 0.518 11.646 1.00 0.00 C ATOM 615 CG GLU A 33 -6.129 1.381 12.512 1.00 0.00 C ATOM 616 CD GLU A 33 -5.873 1.191 13.994 1.00 0.00 C ATOM 617 OE1 GLU A 33 -4.861 1.723 14.495 1.00 0.00 O ATOM 618 OE2 GLU A 33 -6.686 0.509 14.654 1.00 0.00 O ATOM 0 H GLU A 33 -5.394 2.061 9.743 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.518 1.804 11.903 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.809 0.122 10.813 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.885 -0.336 12.230 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.979 2.429 12.253 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.170 1.144 12.294 1.00 0.00 H new ATOM 625 N VAL A 34 -3.246 -0.090 9.247 1.00 0.00 N ATOM 626 CA VAL A 34 -2.383 -1.027 8.537 1.00 0.00 C ATOM 627 C VAL A 34 -1.123 -0.322 8.049 1.00 0.00 C ATOM 628 O VAL A 34 -0.032 -0.890 8.075 1.00 0.00 O ATOM 629 CB VAL A 34 -3.124 -1.667 7.334 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.199 -2.536 6.495 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.312 -2.480 7.822 1.00 0.00 C ATOM 0 H VAL A 34 -4.032 0.253 8.694 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.106 -1.819 9.233 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.479 -0.857 6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.758 -2.965 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.381 -1.928 6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.794 -3.338 7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.824 -2.924 6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.964 -3.270 8.487 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.001 -1.830 8.360 1.00 0.00 H new ATOM 641 N ALA A 35 -1.284 0.918 7.607 1.00 0.00 N ATOM 642 CA ALA A 35 -0.157 1.699 7.114 1.00 0.00 C ATOM 643 C ALA A 35 0.884 1.936 8.204 1.00 0.00 C ATOM 644 O ALA A 35 2.078 2.039 7.925 1.00 0.00 O ATOM 645 CB ALA A 35 -0.639 3.024 6.552 1.00 0.00 C ATOM 0 H ALA A 35 -2.181 1.404 7.580 1.00 0.00 H new ATOM 0 HA ALA A 35 0.319 1.125 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.214 3.597 6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.331 2.840 5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.147 3.588 7.334 1.00 0.00 H new ATOM 651 N LYS A 36 0.425 2.040 9.445 1.00 0.00 N ATOM 652 CA LYS A 36 1.319 2.287 10.572 1.00 0.00 C ATOM 653 C LYS A 36 1.876 0.995 11.169 1.00 0.00 C ATOM 654 O LYS A 36 2.894 1.017 11.862 1.00 0.00 O ATOM 655 CB LYS A 36 0.585 3.079 11.651 1.00 0.00 C ATOM 656 CG LYS A 36 -0.480 2.273 12.379 1.00 0.00 C ATOM 657 CD LYS A 36 -1.143 3.090 13.477 1.00 0.00 C ATOM 658 CE LYS A 36 -2.124 4.100 12.906 1.00 0.00 C ATOM 659 NZ LYS A 36 -2.347 5.244 13.833 1.00 0.00 N ATOM 0 H LYS A 36 -0.560 1.957 9.698 1.00 0.00 H new ATOM 0 HA LYS A 36 2.165 2.862 10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.310 3.447 12.377 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.119 3.953 11.195 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.234 1.938 11.667 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.030 1.379 12.811 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.665 2.423 14.163 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.380 3.610 14.056 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.748 4.473 11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.075 3.607 12.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.022 5.910 13.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.730 4.892 14.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.444 5.730 14.008 1.00 0.00 H new ATOM 673 N LYS A 37 1.205 -0.125 10.921 1.00 0.00 N ATOM 674 CA LYS A 37 1.648 -1.405 11.466 1.00 0.00 C ATOM 675 C LYS A 37 2.335 -2.263 10.409 1.00 0.00 C ATOM 676 O LYS A 37 3.156 -3.120 10.733 1.00 0.00 O ATOM 677 CB LYS A 37 0.462 -2.166 12.071 1.00 0.00 C ATOM 678 CG LYS A 37 -0.494 -2.748 11.038 1.00 0.00 C ATOM 679 CD LYS A 37 -0.716 -4.237 11.256 1.00 0.00 C ATOM 680 CE LYS A 37 0.497 -5.053 10.838 1.00 0.00 C ATOM 681 NZ LYS A 37 1.271 -5.538 12.015 1.00 0.00 N ATOM 0 H LYS A 37 0.360 -0.174 10.352 1.00 0.00 H new ATOM 0 HA LYS A 37 2.377 -1.193 12.248 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.843 -2.975 12.695 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.092 -1.493 12.725 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.449 -2.226 11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.095 -2.582 10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.935 -4.422 12.308 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.587 -4.562 10.687 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.173 -5.905 10.240 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.143 -4.445 10.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.814 -6.384 11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.924 -4.793 12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.616 -5.776 12.787 1.00 0.00 H new ATOM 695 N CYS A 38 1.988 -2.040 9.148 1.00 0.00 N ATOM 696 CA CYS A 38 2.570 -2.807 8.057 1.00 0.00 C ATOM 697 C CYS A 38 3.705 -2.043 7.382 1.00 0.00 C ATOM 698 O CYS A 38 4.627 -2.648 6.837 1.00 0.00 O ATOM 699 CB CYS A 38 1.490 -3.175 7.041 1.00 0.00 C ATOM 700 SG CYS A 38 0.179 -4.216 7.725 1.00 0.00 S ATOM 0 H CYS A 38 1.309 -1.337 8.857 1.00 0.00 H new ATOM 0 HA CYS A 38 2.992 -3.722 8.473 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.048 -2.261 6.646 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.954 -3.693 6.202 1.00 0.00 H new ATOM 0 HG CYS A 38 -0.025 -5.230 6.938 1.00 0.00 H new ATOM 706 N GLY A 39 3.647 -0.715 7.434 1.00 0.00 N ATOM 707 CA GLY A 39 4.702 0.084 6.830 1.00 0.00 C ATOM 708 C GLY A 39 4.231 0.935 5.667 1.00 0.00 C ATOM 709 O GLY A 39 5.022 1.283 4.790 1.00 0.00 O ATOM 0 H GLY A 39 2.899 -0.182 7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.136 0.733 7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.496 -0.579 6.486 1.00 0.00 H new ATOM 713 N ILE A 40 2.952 1.290 5.661 1.00 0.00 N ATOM 714 CA ILE A 40 2.404 2.124 4.600 1.00 0.00 C ATOM 715 C ILE A 40 1.976 3.479 5.165 1.00 0.00 C ATOM 716 O ILE A 40 2.381 3.850 6.266 1.00 0.00 O ATOM 717 CB ILE A 40 1.200 1.457 3.889 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.025 0.001 4.329 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.374 1.527 2.377 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.257 -0.622 3.821 1.00 0.00 C ATOM 0 H ILE A 40 2.278 1.015 6.375 1.00 0.00 H new ATOM 0 HA ILE A 40 3.193 2.260 3.860 1.00 0.00 H new ATOM 0 HB ILE A 40 0.302 2.005 4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.873 -0.584 3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.039 -0.048 5.418 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.521 1.055 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.438 2.570 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.288 1.007 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.322 -1.654 4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.110 -0.058 4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.264 -0.603 2.731 1.00 0.00 H new ATOM 732 N THR A 41 1.164 4.216 4.414 1.00 0.00 N ATOM 733 CA THR A 41 0.699 5.525 4.862 1.00 0.00 C ATOM 734 C THR A 41 -0.685 5.839 4.296 1.00 0.00 C ATOM 735 O THR A 41 -1.086 5.286 3.273 1.00 0.00 O ATOM 736 CB THR A 41 1.696 6.614 4.451 1.00 0.00 C ATOM 737 OG1 THR A 41 2.881 6.039 3.929 1.00 0.00 O ATOM 738 CG2 THR A 41 2.095 7.522 5.594 1.00 0.00 C ATOM 0 H THR A 41 0.816 3.932 3.498 1.00 0.00 H new ATOM 0 HA THR A 41 0.626 5.503 5.949 1.00 0.00 H new ATOM 0 HB THR A 41 1.179 7.208 3.697 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.504 6.750 3.671 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.802 8.270 5.235 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.210 8.020 5.989 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.561 6.931 6.382 1.00 0.00 H new ATOM 746 N PRO A 42 -1.436 6.737 4.961 1.00 0.00 N ATOM 747 CA PRO A 42 -2.781 7.126 4.520 1.00 0.00 C ATOM 748 C PRO A 42 -2.819 7.509 3.044 1.00 0.00 C ATOM 749 O PRO A 42 -3.861 7.419 2.396 1.00 0.00 O ATOM 750 CB PRO A 42 -3.103 8.337 5.397 1.00 0.00 C ATOM 751 CG PRO A 42 -2.296 8.131 6.631 1.00 0.00 C ATOM 752 CD PRO A 42 -1.032 7.446 6.191 1.00 0.00 C ATOM 0 HA PRO A 42 -3.496 6.309 4.619 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.836 9.269 4.899 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.168 8.391 5.624 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.076 9.082 7.116 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.838 7.522 7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.233 8.162 5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.664 6.756 6.950 1.00 0.00 H new ATOM 760 N LEU A 43 -1.673 7.935 2.519 1.00 0.00 N ATOM 761 CA LEU A 43 -1.569 8.329 1.118 1.00 0.00 C ATOM 762 C LEU A 43 -1.203 7.130 0.250 1.00 0.00 C ATOM 763 O LEU A 43 -1.577 7.057 -0.923 1.00 0.00 O ATOM 764 CB LEU A 43 -0.521 9.431 0.956 1.00 0.00 C ATOM 765 CG LEU A 43 -0.699 10.316 -0.281 1.00 0.00 C ATOM 766 CD1 LEU A 43 -1.437 11.595 0.080 1.00 0.00 C ATOM 767 CD2 LEU A 43 0.651 10.637 -0.906 1.00 0.00 C ATOM 0 H LEU A 43 -0.802 8.016 3.044 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.538 8.710 0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.541 10.064 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.466 8.970 0.916 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.295 9.770 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.554 12.211 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.420 11.347 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.867 12.145 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.505 11.267 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.272 11.163 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.144 9.711 -1.202 1.00 0.00 H new ATOM 779 N GLN A 44 -0.480 6.182 0.835 1.00 0.00 N ATOM 780 CA GLN A 44 -0.078 4.985 0.113 1.00 0.00 C ATOM 781 C GLN A 44 -1.229 3.994 0.078 1.00 0.00 C ATOM 782 O GLN A 44 -1.695 3.606 -0.984 1.00 0.00 O ATOM 783 CB GLN A 44 1.146 4.342 0.762 1.00 0.00 C ATOM 784 CG GLN A 44 2.141 5.345 1.324 1.00 0.00 C ATOM 785 CD GLN A 44 2.688 6.280 0.265 1.00 0.00 C ATOM 786 OE1 GLN A 44 3.074 5.850 -0.822 1.00 0.00 O ATOM 787 NE2 GLN A 44 2.724 7.571 0.577 1.00 0.00 N ATOM 0 H GLN A 44 -0.162 6.220 1.803 1.00 0.00 H new ATOM 0 HA GLN A 44 0.186 5.269 -0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.816 3.683 1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.651 3.718 0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.658 5.931 2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.967 4.809 1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.394 7.884 1.490 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.082 8.249 -0.096 1.00 0.00 H new ATOM 796 N VAL A 45 -1.687 3.602 1.257 1.00 0.00 N ATOM 797 CA VAL A 45 -2.795 2.659 1.396 1.00 0.00 C ATOM 798 C VAL A 45 -3.866 2.848 0.322 1.00 0.00 C ATOM 799 O VAL A 45 -4.515 1.890 -0.084 1.00 0.00 O ATOM 800 CB VAL A 45 -3.448 2.810 2.771 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.476 2.386 3.853 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.902 4.245 2.987 1.00 0.00 C ATOM 0 H VAL A 45 -1.304 3.926 2.145 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.370 1.662 1.280 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.326 2.166 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.948 2.496 4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.195 1.344 3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.585 3.012 3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.365 4.336 3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.042 4.912 2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.626 4.517 2.219 1.00 0.00 H new ATOM 812 N ARG A 46 -4.049 4.078 -0.139 1.00 0.00 N ATOM 813 CA ARG A 46 -5.044 4.354 -1.163 1.00 0.00 C ATOM 814 C ARG A 46 -4.479 4.099 -2.560 1.00 0.00 C ATOM 815 O ARG A 46 -5.084 3.389 -3.357 1.00 0.00 O ATOM 816 CB ARG A 46 -5.554 5.791 -1.050 1.00 0.00 C ATOM 817 CG ARG A 46 -4.473 6.807 -0.716 1.00 0.00 C ATOM 818 CD ARG A 46 -4.873 8.234 -1.079 1.00 0.00 C ATOM 819 NE ARG A 46 -6.195 8.319 -1.703 1.00 0.00 N ATOM 820 CZ ARG A 46 -6.405 8.252 -3.017 1.00 0.00 C ATOM 821 NH1 ARG A 46 -5.388 8.074 -3.853 1.00 0.00 N ATOM 822 NH2 ARG A 46 -7.636 8.358 -3.497 1.00 0.00 N ATOM 0 H ARG A 46 -3.525 4.894 0.178 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.882 3.675 -1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.025 6.073 -1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.326 5.832 -0.282 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.250 6.757 0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.557 6.545 -1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.863 8.848 -0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.130 8.652 -1.758 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.005 8.437 -1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.439 7.988 -3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.557 8.024 -4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.422 8.491 -2.861 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.797 8.307 -4.503 1.00 0.00 H new ATOM 836 N VAL A 47 -3.312 4.668 -2.852 1.00 0.00 N ATOM 837 CA VAL A 47 -2.679 4.483 -4.155 1.00 0.00 C ATOM 838 C VAL A 47 -2.054 3.098 -4.259 1.00 0.00 C ATOM 839 O VAL A 47 -2.165 2.418 -5.279 1.00 0.00 O ATOM 840 CB VAL A 47 -1.578 5.533 -4.393 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.151 6.938 -4.298 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.443 5.338 -3.396 1.00 0.00 C ATOM 0 H VAL A 47 -2.787 5.259 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.458 4.597 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.178 5.401 -5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.358 7.667 -4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.929 7.065 -5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.577 7.091 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.330 6.086 -3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.827 5.447 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.019 4.342 -3.518 1.00 0.00 H new ATOM 852 N TRP A 48 -1.392 2.703 -3.184 1.00 0.00 N ATOM 853 CA TRP A 48 -0.726 1.418 -3.106 1.00 0.00 C ATOM 854 C TRP A 48 -1.737 0.274 -3.212 1.00 0.00 C ATOM 855 O TRP A 48 -1.572 -0.625 -4.036 1.00 0.00 O ATOM 856 CB TRP A 48 0.073 1.339 -1.801 1.00 0.00 C ATOM 857 CG TRP A 48 1.544 1.129 -2.011 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.524 2.076 -1.940 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.201 -0.104 -2.320 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.751 1.507 -2.182 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.578 0.168 -2.418 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.759 -1.411 -2.521 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.515 -0.823 -2.706 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.687 -2.393 -2.807 1.00 0.00 C ATOM 865 CH2 TRP A 48 4.052 -2.096 -2.896 1.00 0.00 C ATOM 0 H TRP A 48 -1.302 3.268 -2.339 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.037 1.317 -3.945 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.078 2.259 -1.236 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.319 0.524 -1.193 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.359 3.121 -1.725 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.644 2.000 -2.185 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.708 -1.651 -2.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.568 -0.594 -2.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.354 -3.408 -2.965 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.753 -2.887 -3.119 1.00 0.00 H new ATOM 876 N PHE A 49 -2.793 0.316 -2.395 1.00 0.00 N ATOM 877 CA PHE A 49 -3.825 -0.721 -2.434 1.00 0.00 C ATOM 878 C PHE A 49 -4.632 -0.640 -3.729 1.00 0.00 C ATOM 879 O PHE A 49 -5.319 -1.588 -4.096 1.00 0.00 O ATOM 880 CB PHE A 49 -4.791 -0.600 -1.250 1.00 0.00 C ATOM 881 CG PHE A 49 -4.171 -0.820 0.106 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.963 -1.488 0.244 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.810 -0.359 1.246 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.408 -1.689 1.495 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.259 -0.557 2.497 1.00 0.00 C ATOM 886 CZ PHE A 49 -3.058 -1.221 2.622 1.00 0.00 C ATOM 0 H PHE A 49 -2.954 1.050 -1.705 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.308 -1.679 -2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.242 0.392 -1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.598 -1.320 -1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.451 -1.855 -0.634 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.752 0.162 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.468 -2.211 1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.769 -0.192 3.376 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.625 -1.376 3.599 1.00 0.00 H new ATOM 896 N ILE A 50 -4.565 0.497 -4.412 1.00 0.00 N ATOM 897 CA ILE A 50 -5.309 0.670 -5.654 1.00 0.00 C ATOM 898 C ILE A 50 -4.815 -0.302 -6.726 1.00 0.00 C ATOM 899 O ILE A 50 -5.581 -1.120 -7.237 1.00 0.00 O ATOM 900 CB ILE A 50 -5.216 2.131 -6.167 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.432 2.932 -5.693 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.102 2.188 -7.686 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.727 2.528 -6.364 1.00 0.00 C ATOM 0 H ILE A 50 -4.009 1.305 -4.131 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.356 0.450 -5.443 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.310 2.574 -5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.538 2.810 -4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.253 3.991 -5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.039 3.228 -8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.206 1.655 -8.004 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.979 1.722 -8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.543 3.139 -5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.641 2.677 -7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.931 1.477 -6.158 1.00 0.00 H new ATOM 915 N ASN A 51 -3.534 -0.208 -7.062 1.00 0.00 N ATOM 916 CA ASN A 51 -2.942 -1.076 -8.074 1.00 0.00 C ATOM 917 C ASN A 51 -2.713 -2.485 -7.532 1.00 0.00 C ATOM 918 O ASN A 51 -2.728 -3.459 -8.284 1.00 0.00 O ATOM 919 CB ASN A 51 -1.619 -0.486 -8.566 1.00 0.00 C ATOM 920 CG ASN A 51 -1.820 0.754 -9.414 1.00 0.00 C ATOM 921 OD1 ASN A 51 -2.884 0.955 -9.999 1.00 0.00 O ATOM 922 ND2 ASN A 51 -0.795 1.595 -9.486 1.00 0.00 N ATOM 0 H ASN A 51 -2.884 0.461 -6.648 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.641 -1.142 -8.908 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.993 -0.239 -7.708 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.083 -1.237 -9.146 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.872 2.446 -10.042 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.069 1.390 -8.985 1.00 0.00 H new ATOM 929 N LYS A 52 -2.497 -2.586 -6.225 1.00 0.00 N ATOM 930 CA LYS A 52 -2.258 -3.876 -5.586 1.00 0.00 C ATOM 931 C LYS A 52 -3.568 -4.577 -5.244 1.00 0.00 C ATOM 932 O LYS A 52 -3.652 -5.805 -5.266 1.00 0.00 O ATOM 933 CB LYS A 52 -1.426 -3.687 -4.317 1.00 0.00 C ATOM 934 CG LYS A 52 0.069 -3.636 -4.576 1.00 0.00 C ATOM 935 CD LYS A 52 0.563 -4.921 -5.219 1.00 0.00 C ATOM 936 CE LYS A 52 1.994 -5.235 -4.814 1.00 0.00 C ATOM 937 NZ LYS A 52 2.055 -5.965 -3.518 1.00 0.00 N ATOM 0 H LYS A 52 -2.482 -1.790 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.711 -4.502 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.733 -2.764 -3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.640 -4.503 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.299 -2.791 -5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.597 -3.470 -3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.087 -5.747 -4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.502 -4.833 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.468 -5.834 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.561 -4.308 -4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.786 -5.539 -2.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.133 -5.904 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.289 -6.963 -3.692 1.00 0.00 H new ATOM 951 N ARG A 53 -4.584 -3.789 -4.921 1.00 0.00 N ATOM 952 CA ARG A 53 -5.891 -4.328 -4.564 1.00 0.00 C ATOM 953 C ARG A 53 -7.001 -3.669 -5.378 1.00 0.00 C ATOM 954 O ARG A 53 -8.085 -3.409 -4.861 1.00 0.00 O ATOM 955 CB ARG A 53 -6.154 -4.126 -3.071 1.00 0.00 C ATOM 956 CG ARG A 53 -7.341 -4.920 -2.549 1.00 0.00 C ATOM 957 CD ARG A 53 -7.845 -4.368 -1.224 1.00 0.00 C ATOM 958 NE ARG A 53 -9.259 -4.000 -1.287 1.00 0.00 N ATOM 959 CZ ARG A 53 -9.705 -2.827 -1.731 1.00 0.00 C ATOM 960 NH1 ARG A 53 -8.854 -1.902 -2.160 1.00 0.00 N ATOM 961 NH2 ARG A 53 -11.007 -2.577 -1.748 1.00 0.00 N ATOM 0 H ARG A 53 -4.529 -2.771 -4.899 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.888 -5.394 -4.790 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.263 -4.411 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.324 -3.066 -2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.146 -4.897 -3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.054 -5.964 -2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.699 -5.113 -0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.255 -3.494 -0.947 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.946 -4.685 -0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.851 -2.088 -2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.203 -1.006 -2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.666 -3.283 -1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.349 -1.678 -2.088 1.00 0.00 H new ATOM 975 N MET A 54 -6.726 -3.403 -6.652 1.00 0.00 N ATOM 976 CA MET A 54 -7.711 -2.779 -7.530 1.00 0.00 C ATOM 977 C MET A 54 -9.003 -3.592 -7.561 1.00 0.00 C ATOM 978 O MET A 54 -9.199 -4.433 -8.439 1.00 0.00 O ATOM 979 CB MET A 54 -7.147 -2.639 -8.945 1.00 0.00 C ATOM 980 CG MET A 54 -7.553 -1.347 -9.637 1.00 0.00 C ATOM 981 SD MET A 54 -7.221 -1.375 -11.409 1.00 0.00 S ATOM 982 CE MET A 54 -5.831 -0.249 -11.511 1.00 0.00 C ATOM 0 H MET A 54 -5.832 -3.609 -7.098 1.00 0.00 H new ATOM 0 HA MET A 54 -7.936 -1.787 -7.137 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.059 -2.691 -8.900 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.482 -3.484 -9.546 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.616 -1.170 -9.473 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.017 -0.513 -9.184 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.510 -0.161 -12.549 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.129 0.731 -11.139 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.008 -0.631 -10.907 1.00 0.00 H new