USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=7 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 18 GLN : amide:sc= -0.782 K(o=-11,f=-9.6) USER MOD Set 1.2: A 38 CYS SG : rot -31:sc= -10.2! USER MOD Single : A 9 SER OG : rot -11:sc= 0.782 USER MOD Single : A 11 GLN : amide:sc= -0.646 K(o=-0.65,f=-0.0033) USER MOD Single : A 23 LYS NZ :NH3+ -126:sc= -0.905 (180deg=-1.98!) USER MOD Single : A 24 GLN : amide:sc= -3.85! C(o=-3.9!,f=-1.7!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.5) USER MOD Single : A 28 SER OG : rot 180:sc= -0.291 USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0979) USER MOD Single : A 31 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.96 USER MOD Single : A 44 GLN : amide:sc= -0.054 X(o=-0.054,f=-0.006) USER MOD Single : A 51 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.013) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N SER A 9 12.321 -0.824 0.331 1.00 0.00 N ATOM 202 CA SER A 9 12.968 -2.131 0.240 1.00 0.00 C ATOM 203 C SER A 9 11.980 -3.170 -0.303 1.00 0.00 C ATOM 204 O SER A 9 10.850 -2.824 -0.648 1.00 0.00 O ATOM 205 CB SER A 9 13.477 -2.541 1.626 1.00 0.00 C ATOM 206 OG SER A 9 13.332 -1.484 2.559 1.00 0.00 O ATOM 0 HA SER A 9 13.813 -2.074 -0.446 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.927 -3.415 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.526 -2.830 1.560 1.00 0.00 H new ATOM 0 HG SER A 9 13.098 -0.659 2.085 1.00 0.00 H new ATOM 212 N PRO A 10 12.362 -4.463 -0.379 1.00 0.00 N ATOM 213 CA PRO A 10 11.456 -5.503 -0.872 1.00 0.00 C ATOM 214 C PRO A 10 10.132 -5.475 -0.121 1.00 0.00 C ATOM 215 O PRO A 10 9.106 -5.930 -0.624 1.00 0.00 O ATOM 216 CB PRO A 10 12.208 -6.815 -0.608 1.00 0.00 C ATOM 217 CG PRO A 10 13.314 -6.453 0.324 1.00 0.00 C ATOM 218 CD PRO A 10 13.660 -5.022 0.022 1.00 0.00 C ATOM 0 HA PRO A 10 11.205 -5.370 -1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.550 -7.563 -0.166 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.597 -7.239 -1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.003 -6.568 1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.177 -7.102 0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.071 -4.511 0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.400 -4.942 -0.774 1.00 0.00 H new ATOM 226 N GLN A 11 10.167 -4.913 1.085 1.00 0.00 N ATOM 227 CA GLN A 11 8.980 -4.789 1.918 1.00 0.00 C ATOM 228 C GLN A 11 7.831 -4.184 1.124 1.00 0.00 C ATOM 229 O GLN A 11 6.671 -4.436 1.420 1.00 0.00 O ATOM 230 CB GLN A 11 9.280 -3.918 3.136 1.00 0.00 C ATOM 231 CG GLN A 11 10.343 -4.494 4.055 1.00 0.00 C ATOM 232 CD GLN A 11 10.646 -3.591 5.236 1.00 0.00 C ATOM 233 OE1 GLN A 11 10.803 -4.056 6.365 1.00 0.00 O ATOM 234 NE2 GLN A 11 10.730 -2.291 4.978 1.00 0.00 N ATOM 0 H GLN A 11 11.014 -4.534 1.508 1.00 0.00 H new ATOM 0 HA GLN A 11 8.690 -5.785 2.253 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.601 -2.933 2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.361 -3.775 3.704 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.013 -5.466 4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.258 -4.661 3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.593 -1.950 4.027 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.932 -1.634 5.731 1.00 0.00 H new ATOM 243 N ALA A 12 8.152 -3.391 0.106 1.00 0.00 N ATOM 244 CA ALA A 12 7.121 -2.775 -0.722 1.00 0.00 C ATOM 245 C ALA A 12 6.010 -3.780 -1.011 1.00 0.00 C ATOM 246 O ALA A 12 4.852 -3.576 -0.643 1.00 0.00 O ATOM 247 CB ALA A 12 7.725 -2.260 -2.019 1.00 0.00 C ATOM 0 H ALA A 12 9.109 -3.161 -0.164 1.00 0.00 H new ATOM 0 HA ALA A 12 6.693 -1.930 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.945 -1.803 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.491 -1.518 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.173 -3.089 -2.566 1.00 0.00 H new ATOM 253 N ARG A 13 6.391 -4.879 -1.646 1.00 0.00 N ATOM 254 CA ARG A 13 5.457 -5.945 -1.973 1.00 0.00 C ATOM 255 C ARG A 13 5.229 -6.850 -0.768 1.00 0.00 C ATOM 256 O ARG A 13 4.130 -7.363 -0.566 1.00 0.00 O ATOM 257 CB ARG A 13 5.998 -6.773 -3.136 1.00 0.00 C ATOM 258 CG ARG A 13 7.255 -7.551 -2.778 1.00 0.00 C ATOM 259 CD ARG A 13 8.229 -7.608 -3.942 1.00 0.00 C ATOM 260 NE ARG A 13 8.132 -8.867 -4.679 1.00 0.00 N ATOM 261 CZ ARG A 13 8.536 -9.022 -5.937 1.00 0.00 C ATOM 262 NH1 ARG A 13 9.074 -8.006 -6.601 1.00 0.00 N ATOM 263 NH2 ARG A 13 8.404 -10.198 -6.534 1.00 0.00 N ATOM 0 H ARG A 13 7.349 -5.056 -1.947 1.00 0.00 H new ATOM 0 HA ARG A 13 4.507 -5.493 -2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.228 -7.470 -3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.213 -6.112 -3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.740 -7.085 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.984 -8.564 -2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.033 -6.776 -4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.246 -7.484 -3.570 1.00 0.00 H new ATOM 0 HE ARG A 13 7.731 -9.674 -4.201 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.180 -7.099 -6.147 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.381 -8.133 -7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.993 -10.983 -6.029 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.713 -10.318 -7.499 1.00 0.00 H new ATOM 277 N ALA A 14 6.281 -7.052 0.023 1.00 0.00 N ATOM 278 CA ALA A 14 6.202 -7.907 1.201 1.00 0.00 C ATOM 279 C ALA A 14 5.237 -7.336 2.234 1.00 0.00 C ATOM 280 O ALA A 14 4.267 -7.989 2.622 1.00 0.00 O ATOM 281 CB ALA A 14 7.582 -8.094 1.810 1.00 0.00 C ATOM 0 H ALA A 14 7.198 -6.634 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 14 5.820 -8.879 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.508 -8.735 2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.243 -8.557 1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.986 -7.124 2.101 1.00 0.00 H new ATOM 287 N PHE A 15 5.502 -6.111 2.671 1.00 0.00 N ATOM 288 CA PHE A 15 4.655 -5.449 3.647 1.00 0.00 C ATOM 289 C PHE A 15 3.218 -5.416 3.145 1.00 0.00 C ATOM 290 O PHE A 15 2.287 -5.722 3.886 1.00 0.00 O ATOM 291 CB PHE A 15 5.189 -4.033 3.961 1.00 0.00 C ATOM 292 CG PHE A 15 4.669 -2.920 3.076 1.00 0.00 C ATOM 293 CD1 PHE A 15 3.320 -2.601 3.041 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.541 -2.186 2.284 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.852 -1.583 2.234 1.00 0.00 C ATOM 296 CE2 PHE A 15 5.075 -1.164 1.476 1.00 0.00 C ATOM 297 CZ PHE A 15 3.730 -0.864 1.450 1.00 0.00 C ATOM 0 H PHE A 15 6.300 -5.557 2.362 1.00 0.00 H new ATOM 0 HA PHE A 15 4.673 -6.012 4.580 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.943 -3.794 4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.276 -4.051 3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.626 -3.157 3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.596 -2.415 2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.798 -1.350 2.217 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.765 -0.601 0.865 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.365 -0.068 0.818 1.00 0.00 H new ATOM 307 N LEU A 16 3.049 -5.063 1.875 1.00 0.00 N ATOM 308 CA LEU A 16 1.723 -5.013 1.275 1.00 0.00 C ATOM 309 C LEU A 16 1.173 -6.423 1.115 1.00 0.00 C ATOM 310 O LEU A 16 -0.033 -6.648 1.208 1.00 0.00 O ATOM 311 CB LEU A 16 1.772 -4.307 -0.079 1.00 0.00 C ATOM 312 CG LEU A 16 0.496 -3.563 -0.477 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.742 -4.372 -0.119 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.457 -2.199 0.192 1.00 0.00 C ATOM 0 H LEU A 16 3.810 -4.809 1.245 1.00 0.00 H new ATOM 0 HA LEU A 16 1.063 -4.447 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.599 -3.597 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.996 -5.047 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 16 0.502 -3.424 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.635 -3.820 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.717 -5.327 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.762 -4.549 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.455 -1.678 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.475 -2.324 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.323 -1.616 -0.120 1.00 0.00 H new ATOM 326 N GLU A 17 2.074 -7.375 0.889 1.00 0.00 N ATOM 327 CA GLU A 17 1.686 -8.771 0.737 1.00 0.00 C ATOM 328 C GLU A 17 0.870 -9.208 1.945 1.00 0.00 C ATOM 329 O GLU A 17 -0.317 -9.510 1.829 1.00 0.00 O ATOM 330 CB GLU A 17 2.927 -9.656 0.584 1.00 0.00 C ATOM 331 CG GLU A 17 3.056 -10.288 -0.792 1.00 0.00 C ATOM 332 CD GLU A 17 4.490 -10.638 -1.141 1.00 0.00 C ATOM 333 OE1 GLU A 17 5.301 -9.706 -1.326 1.00 0.00 O ATOM 334 OE2 GLU A 17 4.801 -11.845 -1.230 1.00 0.00 O ATOM 0 H GLU A 17 3.076 -7.204 0.807 1.00 0.00 H new ATOM 0 HA GLU A 17 1.078 -8.876 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.816 -9.059 0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.896 -10.445 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.446 -11.190 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.661 -9.602 -1.541 1.00 0.00 H new ATOM 341 N GLN A 18 1.514 -9.211 3.105 1.00 0.00 N ATOM 342 CA GLN A 18 0.852 -9.584 4.348 1.00 0.00 C ATOM 343 C GLN A 18 -0.336 -8.662 4.613 1.00 0.00 C ATOM 344 O GLN A 18 -1.347 -9.081 5.176 1.00 0.00 O ATOM 345 CB GLN A 18 1.839 -9.532 5.518 1.00 0.00 C ATOM 346 CG GLN A 18 2.795 -8.346 5.472 1.00 0.00 C ATOM 347 CD GLN A 18 2.668 -7.445 6.685 1.00 0.00 C ATOM 348 OE1 GLN A 18 3.667 -6.981 7.235 1.00 0.00 O ATOM 349 NE2 GLN A 18 1.436 -7.191 7.109 1.00 0.00 N ATOM 0 H GLN A 18 2.497 -8.959 3.211 1.00 0.00 H new ATOM 0 HA GLN A 18 0.485 -10.606 4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.278 -9.497 6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.421 -10.454 5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.819 -8.713 5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.603 -7.764 4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.636 -7.596 6.623 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.290 -6.590 7.920 1.00 0.00 H new ATOM 358 N VAL A 19 -0.212 -7.406 4.183 1.00 0.00 N ATOM 359 CA VAL A 19 -1.282 -6.426 4.354 1.00 0.00 C ATOM 360 C VAL A 19 -2.551 -6.913 3.661 1.00 0.00 C ATOM 361 O VAL A 19 -3.600 -7.059 4.288 1.00 0.00 O ATOM 362 CB VAL A 19 -0.868 -5.049 3.781 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.067 -4.131 3.589 1.00 0.00 C ATOM 364 CG2 VAL A 19 0.162 -4.386 4.680 1.00 0.00 C ATOM 0 H VAL A 19 0.619 -7.045 3.714 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.473 -6.312 5.421 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.425 -5.225 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.733 -3.175 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.771 -4.592 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.558 -3.968 4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.441 -3.419 4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.261 -4.243 5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.046 -5.020 4.750 1.00 0.00 H new ATOM 374 N PHE A 20 -2.437 -7.174 2.365 1.00 0.00 N ATOM 375 CA PHE A 20 -3.560 -7.660 1.576 1.00 0.00 C ATOM 376 C PHE A 20 -3.861 -9.123 1.906 1.00 0.00 C ATOM 377 O PHE A 20 -4.900 -9.655 1.516 1.00 0.00 O ATOM 378 CB PHE A 20 -3.251 -7.501 0.085 1.00 0.00 C ATOM 379 CG PHE A 20 -4.178 -8.261 -0.824 1.00 0.00 C ATOM 380 CD1 PHE A 20 -3.979 -9.612 -1.061 1.00 0.00 C ATOM 381 CD2 PHE A 20 -5.241 -7.625 -1.445 1.00 0.00 C ATOM 382 CE1 PHE A 20 -4.823 -10.315 -1.898 1.00 0.00 C ATOM 383 CE2 PHE A 20 -6.089 -8.323 -2.285 1.00 0.00 C ATOM 384 CZ PHE A 20 -5.879 -9.670 -2.511 1.00 0.00 C ATOM 0 H PHE A 20 -1.573 -7.056 1.836 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.443 -7.070 1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.296 -6.443 -0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.229 -7.831 -0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.154 -10.121 -0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.409 -6.572 -1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.657 -11.368 -2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.914 -7.816 -2.764 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.540 -10.218 -3.166 1.00 0.00 H new ATOM 394 N ARG A 21 -2.949 -9.768 2.630 1.00 0.00 N ATOM 395 CA ARG A 21 -3.124 -11.162 3.015 1.00 0.00 C ATOM 396 C ARG A 21 -4.031 -11.269 4.233 1.00 0.00 C ATOM 397 O ARG A 21 -4.844 -12.186 4.339 1.00 0.00 O ATOM 398 CB ARG A 21 -1.770 -11.797 3.328 1.00 0.00 C ATOM 399 CG ARG A 21 -1.655 -13.244 2.880 1.00 0.00 C ATOM 400 CD ARG A 21 -0.815 -13.370 1.619 1.00 0.00 C ATOM 401 NE ARG A 21 -0.489 -14.762 1.315 1.00 0.00 N ATOM 402 CZ ARG A 21 -0.087 -15.184 0.119 1.00 0.00 C ATOM 403 NH1 ARG A 21 0.041 -14.328 -0.888 1.00 0.00 N ATOM 404 NH2 ARG A 21 0.188 -16.468 -0.073 1.00 0.00 N ATOM 0 H ARG A 21 -2.082 -9.345 2.961 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.586 -11.692 2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.985 -11.214 2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.593 -11.744 4.402 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.209 -13.839 3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.650 -13.650 2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.354 -12.932 0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.106 -12.800 1.739 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.575 -15.450 2.063 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.169 -13.340 -0.747 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.350 -14.659 -1.802 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.091 -17.131 0.696 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.496 -16.792 -0.990 1.00 0.00 H new ATOM 418 N ARG A 22 -3.886 -10.316 5.148 1.00 0.00 N ATOM 419 CA ARG A 22 -4.693 -10.292 6.362 1.00 0.00 C ATOM 420 C ARG A 22 -6.170 -10.186 6.013 1.00 0.00 C ATOM 421 O ARG A 22 -7.014 -10.856 6.606 1.00 0.00 O ATOM 422 CB ARG A 22 -4.284 -9.114 7.245 1.00 0.00 C ATOM 423 CG ARG A 22 -3.156 -9.437 8.211 1.00 0.00 C ATOM 424 CD ARG A 22 -2.638 -8.186 8.908 1.00 0.00 C ATOM 425 NE ARG A 22 -3.717 -7.263 9.259 1.00 0.00 N ATOM 426 CZ ARG A 22 -4.614 -7.500 10.212 1.00 0.00 C ATOM 427 NH1 ARG A 22 -4.565 -8.623 10.917 1.00 0.00 N ATOM 428 NH2 ARG A 22 -5.564 -6.609 10.463 1.00 0.00 N ATOM 0 H ARG A 22 -3.217 -9.550 5.072 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.524 -11.221 6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.979 -8.283 6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.152 -8.779 7.813 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.508 -10.150 8.957 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.340 -9.917 7.671 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.099 -8.472 9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.925 -7.679 8.258 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.786 -6.386 8.743 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.836 -9.311 10.730 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.256 -8.798 11.646 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.606 -5.743 9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.252 -6.790 11.194 1.00 0.00 H new ATOM 442 N LYS A 23 -6.466 -9.339 5.038 1.00 0.00 N ATOM 443 CA LYS A 23 -7.836 -9.132 4.587 1.00 0.00 C ATOM 444 C LYS A 23 -7.851 -8.507 3.194 1.00 0.00 C ATOM 445 O LYS A 23 -6.900 -8.666 2.431 1.00 0.00 O ATOM 446 CB LYS A 23 -8.599 -8.258 5.586 1.00 0.00 C ATOM 447 CG LYS A 23 -8.128 -6.811 5.616 1.00 0.00 C ATOM 448 CD LYS A 23 -8.816 -5.991 6.707 1.00 0.00 C ATOM 449 CE LYS A 23 -9.235 -6.839 7.900 1.00 0.00 C ATOM 450 NZ LYS A 23 -8.073 -7.510 8.544 1.00 0.00 N ATOM 0 H LYS A 23 -5.772 -8.781 4.541 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.335 -10.100 4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.660 -8.280 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.495 -8.686 6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.050 -6.787 5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.318 -6.351 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.142 -5.204 7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.695 -5.500 6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.741 -6.210 8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.954 -7.591 7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.251 -8.533 8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.217 -7.339 7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.938 -7.127 9.502 1.00 0.00 H new ATOM 464 N GLN A 24 -8.930 -7.809 2.854 1.00 0.00 N ATOM 465 CA GLN A 24 -9.040 -7.186 1.540 1.00 0.00 C ATOM 466 C GLN A 24 -9.667 -5.804 1.628 1.00 0.00 C ATOM 467 O GLN A 24 -9.176 -4.845 1.034 1.00 0.00 O ATOM 468 CB GLN A 24 -9.883 -8.063 0.614 1.00 0.00 C ATOM 469 CG GLN A 24 -9.559 -9.545 0.707 1.00 0.00 C ATOM 470 CD GLN A 24 -8.347 -9.932 -0.116 1.00 0.00 C ATOM 471 OE1 GLN A 24 -8.352 -9.814 -1.342 1.00 0.00 O ATOM 472 NE2 GLN A 24 -7.300 -10.397 0.555 1.00 0.00 N ATOM 0 H GLN A 24 -9.734 -7.661 3.464 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.032 -7.082 1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.937 -7.916 0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.738 -7.733 -0.415 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.384 -9.810 1.750 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.420 -10.123 0.371 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.340 -10.478 1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.455 -10.673 0.055 1.00 0.00 H new ATOM 481 N SER A 25 -10.773 -5.720 2.350 1.00 0.00 N ATOM 482 CA SER A 25 -11.499 -4.465 2.495 1.00 0.00 C ATOM 483 C SER A 25 -10.838 -3.521 3.498 1.00 0.00 C ATOM 484 O SER A 25 -11.347 -3.318 4.600 1.00 0.00 O ATOM 485 CB SER A 25 -12.941 -4.749 2.914 1.00 0.00 C ATOM 486 OG SER A 25 -13.735 -3.578 2.836 1.00 0.00 O ATOM 0 H SER A 25 -11.190 -6.507 2.847 1.00 0.00 H new ATOM 0 HA SER A 25 -11.484 -3.965 1.527 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.364 -5.522 2.272 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.957 -5.136 3.933 1.00 0.00 H new ATOM 0 HG SER A 25 -14.653 -3.787 3.108 1.00 0.00 H new ATOM 492 N LEU A 26 -9.718 -2.922 3.098 1.00 0.00 N ATOM 493 CA LEU A 26 -9.014 -1.973 3.958 1.00 0.00 C ATOM 494 C LEU A 26 -9.694 -0.607 3.888 1.00 0.00 C ATOM 495 O LEU A 26 -9.723 0.025 2.833 1.00 0.00 O ATOM 496 CB LEU A 26 -7.541 -1.838 3.538 1.00 0.00 C ATOM 497 CG LEU A 26 -6.666 -3.094 3.702 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.313 -2.736 4.306 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.363 -4.145 4.553 1.00 0.00 C ATOM 0 H LEU A 26 -9.281 -3.076 2.189 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.049 -2.348 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.510 -1.534 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.093 -1.031 4.118 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.504 -3.515 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.712 -3.639 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.798 -2.032 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.461 -2.281 5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.720 -5.020 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.569 -3.735 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.300 -4.435 4.078 1.00 0.00 H new ATOM 511 N ASN A 27 -10.246 -0.156 5.011 1.00 0.00 N ATOM 512 CA ASN A 27 -10.930 1.137 5.057 1.00 0.00 C ATOM 513 C ASN A 27 -10.010 2.211 5.624 1.00 0.00 C ATOM 514 O ASN A 27 -8.852 1.947 5.929 1.00 0.00 O ATOM 515 CB ASN A 27 -12.219 1.058 5.891 1.00 0.00 C ATOM 516 CG ASN A 27 -12.489 -0.328 6.451 1.00 0.00 C ATOM 517 OD1 ASN A 27 -13.189 -1.133 5.837 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.932 -0.611 7.624 1.00 0.00 N ATOM 0 H ASN A 27 -10.235 -0.661 5.897 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.199 1.403 4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.154 1.769 6.715 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.063 1.363 5.272 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.078 -1.526 8.050 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.359 0.087 8.098 1.00 0.00 H new ATOM 525 N SER A 28 -10.537 3.425 5.770 1.00 0.00 N ATOM 526 CA SER A 28 -9.758 4.536 6.310 1.00 0.00 C ATOM 527 C SER A 28 -9.113 4.145 7.635 1.00 0.00 C ATOM 528 O SER A 28 -8.075 4.684 8.022 1.00 0.00 O ATOM 529 CB SER A 28 -10.647 5.766 6.502 1.00 0.00 C ATOM 530 OG SER A 28 -10.577 6.627 5.378 1.00 0.00 O ATOM 0 H SER A 28 -11.497 3.663 5.523 1.00 0.00 H new ATOM 0 HA SER A 28 -8.970 4.779 5.598 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.679 5.452 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.338 6.306 7.397 1.00 0.00 H new ATOM 0 HG SER A 28 -11.155 7.404 5.525 1.00 0.00 H new ATOM 536 N LYS A 29 -9.739 3.200 8.323 1.00 0.00 N ATOM 537 CA LYS A 29 -9.244 2.719 9.599 1.00 0.00 C ATOM 538 C LYS A 29 -8.093 1.744 9.400 1.00 0.00 C ATOM 539 O LYS A 29 -7.038 1.877 10.016 1.00 0.00 O ATOM 540 CB LYS A 29 -10.380 2.036 10.351 1.00 0.00 C ATOM 541 CG LYS A 29 -11.614 2.909 10.509 1.00 0.00 C ATOM 542 CD LYS A 29 -12.629 2.651 9.404 1.00 0.00 C ATOM 543 CE LYS A 29 -12.993 3.930 8.668 1.00 0.00 C ATOM 544 NZ LYS A 29 -13.642 4.922 9.569 1.00 0.00 N ATOM 0 H LYS A 29 -10.599 2.749 8.012 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.875 3.566 10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.656 1.122 9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.025 1.740 11.338 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.074 2.717 11.478 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.321 3.959 10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.222 1.927 8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.529 2.208 9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.094 4.367 8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.665 3.695 7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.128 5.643 8.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.333 4.438 10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.919 5.379 10.161 1.00 0.00 H new ATOM 558 N GLU A 30 -8.301 0.770 8.524 1.00 0.00 N ATOM 559 CA GLU A 30 -7.281 -0.219 8.233 1.00 0.00 C ATOM 560 C GLU A 30 -6.171 0.413 7.420 1.00 0.00 C ATOM 561 O GLU A 30 -5.007 0.104 7.601 1.00 0.00 O ATOM 562 CB GLU A 30 -7.877 -1.402 7.473 1.00 0.00 C ATOM 563 CG GLU A 30 -9.151 -1.946 8.099 1.00 0.00 C ATOM 564 CD GLU A 30 -8.994 -3.361 8.622 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.841 -3.806 8.797 1.00 0.00 O ATOM 566 OE2 GLU A 30 -10.027 -4.022 8.857 1.00 0.00 O ATOM 0 H GLU A 30 -9.170 0.647 8.004 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.874 -0.586 9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.087 -1.096 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.137 -2.201 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.455 -1.293 8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.951 -1.924 7.359 1.00 0.00 H new ATOM 573 N LYS A 31 -6.540 1.318 6.532 1.00 0.00 N ATOM 574 CA LYS A 31 -5.564 2.002 5.708 1.00 0.00 C ATOM 575 C LYS A 31 -4.593 2.779 6.591 1.00 0.00 C ATOM 576 O LYS A 31 -3.411 2.889 6.287 1.00 0.00 O ATOM 577 CB LYS A 31 -6.277 2.935 4.726 1.00 0.00 C ATOM 578 CG LYS A 31 -6.441 4.357 5.234 1.00 0.00 C ATOM 579 CD LYS A 31 -7.035 5.262 4.170 1.00 0.00 C ATOM 580 CE LYS A 31 -7.346 6.643 4.724 1.00 0.00 C ATOM 581 NZ LYS A 31 -7.659 7.618 3.642 1.00 0.00 N ATOM 0 H LYS A 31 -7.507 1.595 6.364 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.995 1.270 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.718 2.956 3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.261 2.525 4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.084 4.358 6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.472 4.747 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.338 5.352 3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.947 4.813 3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.191 6.577 5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.494 7.003 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.865 8.547 4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.843 7.700 3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.487 7.288 3.106 1.00 0.00 H new ATOM 595 N GLU A 32 -5.110 3.312 7.694 1.00 0.00 N ATOM 596 CA GLU A 32 -4.295 4.074 8.630 1.00 0.00 C ATOM 597 C GLU A 32 -3.699 3.158 9.696 1.00 0.00 C ATOM 598 O GLU A 32 -2.570 3.356 10.144 1.00 0.00 O ATOM 599 CB GLU A 32 -5.139 5.176 9.283 1.00 0.00 C ATOM 600 CG GLU A 32 -6.107 4.672 10.342 1.00 0.00 C ATOM 601 CD GLU A 32 -6.757 5.799 11.119 1.00 0.00 C ATOM 602 OE1 GLU A 32 -7.705 6.417 10.588 1.00 0.00 O ATOM 603 OE2 GLU A 32 -6.319 6.067 12.258 1.00 0.00 O ATOM 0 H GLU A 32 -6.091 3.229 7.960 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.474 4.536 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.472 5.909 9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.703 5.694 8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.881 4.070 9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.576 4.018 11.033 1.00 0.00 H new ATOM 610 N GLU A 33 -4.471 2.151 10.090 1.00 0.00 N ATOM 611 CA GLU A 33 -4.038 1.191 11.095 1.00 0.00 C ATOM 612 C GLU A 33 -3.032 0.208 10.505 1.00 0.00 C ATOM 613 O GLU A 33 -2.092 -0.220 11.174 1.00 0.00 O ATOM 614 CB GLU A 33 -5.253 0.435 11.630 1.00 0.00 C ATOM 615 CG GLU A 33 -6.171 1.292 12.486 1.00 0.00 C ATOM 616 CD GLU A 33 -5.913 1.124 13.970 1.00 0.00 C ATOM 617 OE1 GLU A 33 -4.989 1.784 14.490 1.00 0.00 O ATOM 618 OE2 GLU A 33 -6.634 0.331 14.612 1.00 0.00 O ATOM 0 H GLU A 33 -5.407 1.979 9.724 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.553 1.729 11.910 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.821 0.035 10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.911 -0.417 12.218 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.040 2.340 12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.208 1.034 12.270 1.00 0.00 H new ATOM 625 N VAL A 34 -3.243 -0.133 9.241 1.00 0.00 N ATOM 626 CA VAL A 34 -2.372 -1.057 8.525 1.00 0.00 C ATOM 627 C VAL A 34 -1.114 -0.341 8.056 1.00 0.00 C ATOM 628 O VAL A 34 -0.017 -0.893 8.103 1.00 0.00 O ATOM 629 CB VAL A 34 -3.102 -1.685 7.311 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.170 -2.554 6.478 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.301 -2.495 7.776 1.00 0.00 C ATOM 0 H VAL A 34 -4.020 0.222 8.684 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.095 -1.857 9.212 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.446 -0.868 6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.720 -2.975 5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.345 -1.948 6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.777 -3.362 7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.804 -2.930 6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.966 -3.292 8.440 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.994 -1.845 8.310 1.00 0.00 H new ATOM 641 N ALA A 35 -1.281 0.895 7.602 1.00 0.00 N ATOM 642 CA ALA A 35 -0.155 1.688 7.125 1.00 0.00 C ATOM 643 C ALA A 35 0.882 1.914 8.221 1.00 0.00 C ATOM 644 O ALA A 35 2.080 1.986 7.951 1.00 0.00 O ATOM 645 CB ALA A 35 -0.638 3.022 6.583 1.00 0.00 C ATOM 0 H ALA A 35 -2.183 1.369 7.554 1.00 0.00 H new ATOM 0 HA ALA A 35 0.324 1.126 6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.215 3.602 6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.327 2.851 5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.149 3.572 7.373 1.00 0.00 H new ATOM 651 N LYS A 36 0.413 2.045 9.454 1.00 0.00 N ATOM 652 CA LYS A 36 1.300 2.287 10.589 1.00 0.00 C ATOM 653 C LYS A 36 1.823 0.992 11.209 1.00 0.00 C ATOM 654 O LYS A 36 2.818 1.006 11.935 1.00 0.00 O ATOM 655 CB LYS A 36 0.567 3.107 11.649 1.00 0.00 C ATOM 656 CG LYS A 36 -0.506 2.324 12.388 1.00 0.00 C ATOM 657 CD LYS A 36 -1.190 3.174 13.447 1.00 0.00 C ATOM 658 CE LYS A 36 -0.198 3.678 14.483 1.00 0.00 C ATOM 659 NZ LYS A 36 -0.868 4.049 15.759 1.00 0.00 N ATOM 0 H LYS A 36 -0.576 1.988 9.696 1.00 0.00 H new ATOM 0 HA LYS A 36 2.163 2.839 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.292 3.484 12.370 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.110 3.975 11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.248 1.962 11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.059 1.447 12.857 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.684 4.022 12.972 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.966 2.588 13.940 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.548 2.907 14.676 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.333 4.544 14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.157 4.388 16.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.562 4.802 15.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.353 3.217 16.151 1.00 0.00 H new ATOM 673 N LYS A 37 1.150 -0.122 10.942 1.00 0.00 N ATOM 674 CA LYS A 37 1.561 -1.406 11.504 1.00 0.00 C ATOM 675 C LYS A 37 2.231 -2.294 10.460 1.00 0.00 C ATOM 676 O LYS A 37 2.948 -3.235 10.802 1.00 0.00 O ATOM 677 CB LYS A 37 0.354 -2.130 12.111 1.00 0.00 C ATOM 678 CG LYS A 37 -0.590 -2.731 11.078 1.00 0.00 C ATOM 679 CD LYS A 37 -0.592 -4.251 11.140 1.00 0.00 C ATOM 680 CE LYS A 37 -1.472 -4.764 12.269 1.00 0.00 C ATOM 681 NZ LYS A 37 -0.693 -5.550 13.266 1.00 0.00 N ATOM 0 H LYS A 37 0.324 -0.164 10.345 1.00 0.00 H new ATOM 0 HA LYS A 37 2.293 -1.202 12.286 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.711 -2.924 12.767 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.203 -1.429 12.733 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.600 -2.358 11.247 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.293 -2.407 10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.945 -4.654 10.191 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.427 -4.611 11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.953 -3.922 12.766 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.266 -5.386 11.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.328 -5.882 14.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.255 -6.368 12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.049 -4.949 13.679 1.00 0.00 H new ATOM 695 N CYS A 38 1.993 -2.000 9.187 1.00 0.00 N ATOM 696 CA CYS A 38 2.573 -2.785 8.108 1.00 0.00 C ATOM 697 C CYS A 38 3.701 -2.027 7.415 1.00 0.00 C ATOM 698 O CYS A 38 4.625 -2.637 6.875 1.00 0.00 O ATOM 699 CB CYS A 38 1.492 -3.177 7.102 1.00 0.00 C ATOM 700 SG CYS A 38 0.175 -4.193 7.815 1.00 0.00 S ATOM 0 H CYS A 38 1.404 -1.226 8.879 1.00 0.00 H new ATOM 0 HA CYS A 38 2.999 -3.691 8.539 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.054 -2.272 6.681 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.954 -3.721 6.278 1.00 0.00 H new ATOM 0 HG CYS A 38 0.661 -4.923 8.774 1.00 0.00 H new ATOM 706 N GLY A 39 3.639 -0.697 7.450 1.00 0.00 N ATOM 707 CA GLY A 39 4.688 0.099 6.833 1.00 0.00 C ATOM 708 C GLY A 39 4.210 0.968 5.685 1.00 0.00 C ATOM 709 O GLY A 39 5.010 1.382 4.847 1.00 0.00 O ATOM 0 H GLY A 39 2.890 -0.161 7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.141 0.736 7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.469 -0.568 6.469 1.00 0.00 H new ATOM 713 N ILE A 40 2.917 1.264 5.650 1.00 0.00 N ATOM 714 CA ILE A 40 2.368 2.110 4.597 1.00 0.00 C ATOM 715 C ILE A 40 1.946 3.461 5.173 1.00 0.00 C ATOM 716 O ILE A 40 2.333 3.815 6.286 1.00 0.00 O ATOM 717 CB ILE A 40 1.162 1.457 3.881 1.00 0.00 C ATOM 718 CG1 ILE A 40 0.971 0.000 4.311 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.337 1.536 2.371 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.233 -0.653 3.666 1.00 0.00 C ATOM 0 H ILE A 40 2.234 0.934 6.332 1.00 0.00 H new ATOM 0 HA ILE A 40 3.157 2.247 3.858 1.00 0.00 H new ATOM 0 HB ILE A 40 0.269 2.011 4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.866 -0.568 4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.864 -0.042 5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.481 1.073 1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.408 2.580 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.248 1.012 2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.315 -1.684 4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.135 -0.106 3.941 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.117 -0.640 2.582 1.00 0.00 H new ATOM 732 N THR A 41 1.152 4.214 4.416 1.00 0.00 N ATOM 733 CA THR A 41 0.687 5.522 4.870 1.00 0.00 C ATOM 734 C THR A 41 -0.697 5.837 4.302 1.00 0.00 C ATOM 735 O THR A 41 -1.095 5.286 3.275 1.00 0.00 O ATOM 736 CB THR A 41 1.685 6.612 4.468 1.00 0.00 C ATOM 737 OG1 THR A 41 2.867 6.040 3.932 1.00 0.00 O ATOM 738 CG2 THR A 41 2.093 7.504 5.621 1.00 0.00 C ATOM 0 H THR A 41 0.819 3.943 3.491 1.00 0.00 H new ATOM 0 HA THR A 41 0.613 5.496 5.957 1.00 0.00 H new ATOM 0 HB THR A 41 1.166 7.217 3.725 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.490 6.753 3.680 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.801 8.254 5.268 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.211 8.000 6.027 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.561 6.901 6.399 1.00 0.00 H new ATOM 746 N PRO A 42 -1.450 6.733 4.968 1.00 0.00 N ATOM 747 CA PRO A 42 -2.796 7.119 4.527 1.00 0.00 C ATOM 748 C PRO A 42 -2.840 7.498 3.050 1.00 0.00 C ATOM 749 O PRO A 42 -3.875 7.369 2.398 1.00 0.00 O ATOM 750 CB PRO A 42 -3.116 8.333 5.400 1.00 0.00 C ATOM 751 CG PRO A 42 -2.311 8.129 6.636 1.00 0.00 C ATOM 752 CD PRO A 42 -1.049 7.436 6.201 1.00 0.00 C ATOM 0 HA PRO A 42 -3.509 6.301 4.629 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.846 9.263 4.900 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.181 8.390 5.625 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.087 9.081 7.117 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.857 7.526 7.362 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.245 8.147 6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.690 6.741 6.961 1.00 0.00 H new ATOM 760 N LEU A 43 -1.710 7.963 2.530 1.00 0.00 N ATOM 761 CA LEU A 43 -1.616 8.358 1.129 1.00 0.00 C ATOM 762 C LEU A 43 -1.221 7.167 0.262 1.00 0.00 C ATOM 763 O LEU A 43 -1.587 7.086 -0.915 1.00 0.00 O ATOM 764 CB LEU A 43 -0.597 9.487 0.962 1.00 0.00 C ATOM 765 CG LEU A 43 -0.733 10.291 -0.333 1.00 0.00 C ATOM 766 CD1 LEU A 43 -1.583 11.533 -0.107 1.00 0.00 C ATOM 767 CD2 LEU A 43 0.640 10.672 -0.869 1.00 0.00 C ATOM 0 H LEU A 43 -0.845 8.076 3.058 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.594 8.715 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.690 10.169 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.406 9.061 1.005 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.232 9.667 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.667 12.091 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.576 11.238 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.115 12.162 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.525 11.243 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.164 11.277 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.215 9.768 -1.072 1.00 0.00 H new ATOM 779 N GLN A 44 -0.482 6.235 0.852 1.00 0.00 N ATOM 780 CA GLN A 44 -0.053 5.047 0.134 1.00 0.00 C ATOM 781 C GLN A 44 -1.182 4.034 0.097 1.00 0.00 C ATOM 782 O GLN A 44 -1.634 3.633 -0.966 1.00 0.00 O ATOM 783 CB GLN A 44 1.184 4.426 0.786 1.00 0.00 C ATOM 784 CG GLN A 44 2.155 5.444 1.357 1.00 0.00 C ATOM 785 CD GLN A 44 2.750 6.345 0.292 1.00 0.00 C ATOM 786 OE1 GLN A 44 3.298 5.872 -0.704 1.00 0.00 O ATOM 787 NE2 GLN A 44 2.644 7.654 0.497 1.00 0.00 N ATOM 0 H GLN A 44 -0.170 6.281 1.822 1.00 0.00 H new ATOM 0 HA GLN A 44 0.209 5.338 -0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.864 3.756 1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.705 3.816 0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.640 6.055 2.098 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.959 4.922 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.182 8.003 1.337 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.025 8.310 -0.185 1.00 0.00 H new ATOM 796 N VAL A 45 -1.642 3.640 1.273 1.00 0.00 N ATOM 797 CA VAL A 45 -2.729 2.674 1.403 1.00 0.00 C ATOM 798 C VAL A 45 -3.779 2.826 0.308 1.00 0.00 C ATOM 799 O VAL A 45 -4.346 1.842 -0.154 1.00 0.00 O ATOM 800 CB VAL A 45 -3.412 2.825 2.764 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.456 2.421 3.866 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.887 4.257 2.961 1.00 0.00 C ATOM 0 H VAL A 45 -1.276 3.977 2.164 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.280 1.685 1.309 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.283 2.170 2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.948 2.531 4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.158 1.382 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.573 3.059 3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.371 4.349 3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.033 4.933 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.598 4.516 2.176 1.00 0.00 H new ATOM 812 N ARG A 46 -4.032 4.055 -0.116 1.00 0.00 N ATOM 813 CA ARG A 46 -5.011 4.295 -1.165 1.00 0.00 C ATOM 814 C ARG A 46 -4.411 4.006 -2.538 1.00 0.00 C ATOM 815 O ARG A 46 -4.949 3.205 -3.298 1.00 0.00 O ATOM 816 CB ARG A 46 -5.545 5.729 -1.105 1.00 0.00 C ATOM 817 CG ARG A 46 -4.517 6.762 -0.674 1.00 0.00 C ATOM 818 CD ARG A 46 -4.697 8.085 -1.409 1.00 0.00 C ATOM 819 NE ARG A 46 -6.083 8.318 -1.812 1.00 0.00 N ATOM 820 CZ ARG A 46 -7.082 8.516 -0.955 1.00 0.00 C ATOM 821 NH1 ARG A 46 -6.855 8.516 0.352 1.00 0.00 N ATOM 822 NH2 ARG A 46 -8.312 8.717 -1.407 1.00 0.00 N ATOM 0 H ARG A 46 -3.578 4.894 0.246 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.848 3.616 -1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.928 6.003 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.387 5.762 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.599 6.929 0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.515 6.376 -0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.367 8.901 -0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.059 8.096 -2.292 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.297 8.330 -2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.910 8.364 0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.625 8.668 1.003 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.492 8.720 -2.411 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.078 8.869 -0.751 1.00 0.00 H new ATOM 836 N VAL A 47 -3.293 4.653 -2.853 1.00 0.00 N ATOM 837 CA VAL A 47 -2.631 4.446 -4.140 1.00 0.00 C ATOM 838 C VAL A 47 -2.006 3.056 -4.222 1.00 0.00 C ATOM 839 O VAL A 47 -2.112 2.363 -5.233 1.00 0.00 O ATOM 840 CB VAL A 47 -1.525 5.490 -4.368 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.106 6.895 -4.329 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.426 5.324 -3.327 1.00 0.00 C ATOM 0 H VAL A 47 -2.827 5.322 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.397 4.548 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.088 5.334 -5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.311 7.622 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.859 6.999 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.566 7.072 -3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.352 6.068 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.846 5.460 -2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.003 4.325 -3.407 1.00 0.00 H new ATOM 852 N TRP A 48 -1.343 2.672 -3.141 1.00 0.00 N ATOM 853 CA TRP A 48 -0.676 1.387 -3.047 1.00 0.00 C ATOM 854 C TRP A 48 -1.676 0.235 -3.158 1.00 0.00 C ATOM 855 O TRP A 48 -1.497 -0.667 -3.975 1.00 0.00 O ATOM 856 CB TRP A 48 0.110 1.320 -1.734 1.00 0.00 C ATOM 857 CG TRP A 48 1.582 1.126 -1.937 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.550 2.088 -1.881 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.251 -0.102 -2.230 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.782 1.529 -2.120 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.624 0.186 -2.338 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.823 -1.417 -2.411 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.570 -0.796 -2.618 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.761 -2.390 -2.688 1.00 0.00 C ATOM 865 CH2 TRP A 48 4.121 -2.076 -2.789 1.00 0.00 C ATOM 0 H TRP A 48 -1.254 3.247 -2.303 1.00 0.00 H new ATOM 0 HA TRP A 48 0.019 1.284 -3.880 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.055 2.239 -1.172 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.278 0.502 -1.127 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.373 3.134 -1.679 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.669 2.032 -2.133 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.776 -1.669 -2.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.620 -0.556 -2.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.440 -3.412 -2.829 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.830 -2.861 -3.006 1.00 0.00 H new ATOM 876 N PHE A 49 -2.738 0.273 -2.352 1.00 0.00 N ATOM 877 CA PHE A 49 -3.757 -0.773 -2.401 1.00 0.00 C ATOM 878 C PHE A 49 -4.517 -0.718 -3.723 1.00 0.00 C ATOM 879 O PHE A 49 -5.054 -1.722 -4.176 1.00 0.00 O ATOM 880 CB PHE A 49 -4.749 -0.646 -1.239 1.00 0.00 C ATOM 881 CG PHE A 49 -4.151 -0.866 0.127 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.981 -1.593 0.290 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.772 -0.346 1.253 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.443 -1.793 1.548 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.238 -0.544 2.511 1.00 0.00 C ATOM 886 CZ PHE A 49 -3.073 -1.267 2.659 1.00 0.00 C ATOM 0 H PHE A 49 -2.913 1.007 -1.666 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.243 -1.731 -2.315 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.197 0.347 -1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.555 -1.364 -1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.485 -2.007 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.685 0.221 1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.531 -2.360 1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.733 -0.133 3.379 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.654 -1.422 3.642 1.00 0.00 H new ATOM 896 N ILE A 50 -4.561 0.458 -4.341 1.00 0.00 N ATOM 897 CA ILE A 50 -5.260 0.615 -5.613 1.00 0.00 C ATOM 898 C ILE A 50 -4.699 -0.356 -6.652 1.00 0.00 C ATOM 899 O ILE A 50 -5.445 -1.092 -7.299 1.00 0.00 O ATOM 900 CB ILE A 50 -5.167 2.073 -6.134 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.373 2.883 -5.649 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.075 2.118 -7.657 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.678 2.487 -6.310 1.00 0.00 C ATOM 0 H ILE A 50 -4.125 1.309 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.312 0.386 -5.445 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.255 2.515 -5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.471 2.762 -4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.188 3.941 -5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.011 3.155 -7.987 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.187 1.578 -7.984 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.961 1.654 -8.089 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.487 3.103 -5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.600 2.635 -7.387 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.887 1.438 -6.102 1.00 0.00 H new ATOM 915 N ASN A 51 -3.377 -0.358 -6.796 1.00 0.00 N ATOM 916 CA ASN A 51 -2.710 -1.241 -7.746 1.00 0.00 C ATOM 917 C ASN A 51 -2.569 -2.644 -7.164 1.00 0.00 C ATOM 918 O ASN A 51 -2.611 -3.638 -7.889 1.00 0.00 O ATOM 919 CB ASN A 51 -1.332 -0.689 -8.112 1.00 0.00 C ATOM 920 CG ASN A 51 -1.368 0.793 -8.432 1.00 0.00 C ATOM 921 OD1 ASN A 51 -1.910 1.205 -9.458 1.00 0.00 O ATOM 922 ND2 ASN A 51 -0.789 1.602 -7.554 1.00 0.00 N ATOM 0 H ASN A 51 -2.746 0.243 -6.266 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.320 -1.294 -8.648 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.643 -0.863 -7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.942 -1.234 -8.972 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.781 2.609 -7.716 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.352 1.217 -6.717 1.00 0.00 H new ATOM 929 N LYS A 52 -2.409 -2.715 -5.846 1.00 0.00 N ATOM 930 CA LYS A 52 -2.267 -3.993 -5.156 1.00 0.00 C ATOM 931 C LYS A 52 -3.620 -4.504 -4.665 1.00 0.00 C ATOM 932 O LYS A 52 -3.684 -5.391 -3.814 1.00 0.00 O ATOM 933 CB LYS A 52 -1.314 -3.847 -3.967 1.00 0.00 C ATOM 934 CG LYS A 52 0.156 -3.923 -4.343 1.00 0.00 C ATOM 935 CD LYS A 52 0.469 -5.182 -5.137 1.00 0.00 C ATOM 936 CE LYS A 52 1.800 -5.787 -4.720 1.00 0.00 C ATOM 937 NZ LYS A 52 1.750 -7.275 -4.693 1.00 0.00 N ATOM 0 H LYS A 52 -2.374 -1.900 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.859 -4.714 -5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.504 -2.892 -3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.534 -4.629 -3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.427 -3.046 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.764 -3.902 -3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.326 -5.913 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.493 -4.946 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.578 -5.462 -5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.074 -5.415 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.677 -7.648 -4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.025 -7.586 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.513 -7.632 -5.641 1.00 0.00 H new ATOM 951 N ARG A 53 -4.696 -3.935 -5.199 1.00 0.00 N ATOM 952 CA ARG A 53 -6.043 -4.328 -4.806 1.00 0.00 C ATOM 953 C ARG A 53 -7.093 -3.557 -5.598 1.00 0.00 C ATOM 954 O ARG A 53 -8.150 -3.220 -5.067 1.00 0.00 O ATOM 955 CB ARG A 53 -6.257 -4.085 -3.309 1.00 0.00 C ATOM 956 CG ARG A 53 -7.452 -4.835 -2.744 1.00 0.00 C ATOM 957 CD ARG A 53 -7.848 -4.309 -1.373 1.00 0.00 C ATOM 958 NE ARG A 53 -9.246 -3.882 -1.336 1.00 0.00 N ATOM 959 CZ ARG A 53 -9.669 -2.682 -1.728 1.00 0.00 C ATOM 960 NH1 ARG A 53 -8.809 -1.783 -2.191 1.00 0.00 N ATOM 961 NH2 ARG A 53 -10.958 -2.381 -1.659 1.00 0.00 N ATOM 0 H ARG A 53 -4.660 -3.200 -5.905 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.152 -5.391 -5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.360 -4.384 -2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.392 -3.017 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.296 -4.742 -3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.215 -5.896 -2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.686 -5.085 -0.625 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.205 -3.470 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.940 -4.544 -0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.816 -2.009 -2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.141 -0.866 -2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.624 -3.068 -1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.284 -1.462 -1.959 1.00 0.00 H new ATOM 975 N MET A 54 -6.799 -3.278 -6.865 1.00 0.00 N ATOM 976 CA MET A 54 -7.727 -2.545 -7.720 1.00 0.00 C ATOM 977 C MET A 54 -9.069 -3.272 -7.807 1.00 0.00 C ATOM 978 O MET A 54 -9.348 -3.971 -8.780 1.00 0.00 O ATOM 979 CB MET A 54 -7.132 -2.362 -9.119 1.00 0.00 C ATOM 980 CG MET A 54 -7.087 -0.911 -9.574 1.00 0.00 C ATOM 981 SD MET A 54 -7.754 -0.679 -11.234 1.00 0.00 S ATOM 982 CE MET A 54 -8.317 1.019 -11.138 1.00 0.00 C ATOM 0 H MET A 54 -5.928 -3.548 -7.321 1.00 0.00 H new ATOM 0 HA MET A 54 -7.895 -1.562 -7.280 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.121 -2.770 -9.132 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.718 -2.940 -9.833 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.651 -0.297 -8.872 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.056 -0.559 -9.549 1.00 0.00 H new ATOM 0 HE1 MET A 54 -8.756 1.311 -12.092 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.065 1.110 -10.351 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.472 1.670 -10.913 1.00 0.00 H new