USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=8 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= -1.12 K(o=-12,f=-7.8) USER MOD Set 1.2: A 38 CYS SG : rot -131:sc= -10.7! USER MOD Single : A 9 SER OG : rot 12:sc= 0.874 USER MOD Single : A 11 GLN : amide:sc= -0.604 K(o=-0.6,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -132:sc= -0.67 (180deg=-1.62) USER MOD Single : A 24 GLN : amide:sc= -3.67! K(o=-3.7!,f=-1.6) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.29! C(o=-3.3!,f=-15!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.362 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= -0.035 (180deg=-0.265) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 44 GLN : amide:sc= -0.966 K(o=-0.97,f=-0.2) USER MOD Single : A 51 ASN : amide:sc= -0.0906 X(o=-0.091,f=-0.45) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -165:sc= 0 (180deg=-0.272) USER MOD ----------------------------------------------------------------- ATOM 201 N SER A 9 12.267 -0.959 0.432 1.00 0.00 N ATOM 202 CA SER A 9 12.958 -2.242 0.392 1.00 0.00 C ATOM 203 C SER A 9 11.995 -3.325 -0.096 1.00 0.00 C ATOM 204 O SER A 9 10.859 -3.017 -0.454 1.00 0.00 O ATOM 205 CB SER A 9 13.491 -2.576 1.789 1.00 0.00 C ATOM 206 OG SER A 9 13.307 -1.491 2.682 1.00 0.00 O ATOM 0 HA SER A 9 13.800 -2.191 -0.299 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.980 -3.458 2.175 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.551 -2.823 1.727 1.00 0.00 H new ATOM 0 HG SER A 9 12.711 -0.829 2.274 1.00 0.00 H new ATOM 212 N PRO A 10 12.401 -4.613 -0.107 1.00 0.00 N ATOM 213 CA PRO A 10 11.516 -5.695 -0.544 1.00 0.00 C ATOM 214 C PRO A 10 10.164 -5.609 0.152 1.00 0.00 C ATOM 215 O PRO A 10 9.154 -6.091 -0.359 1.00 0.00 O ATOM 216 CB PRO A 10 12.259 -6.976 -0.136 1.00 0.00 C ATOM 217 CG PRO A 10 13.363 -6.523 0.759 1.00 0.00 C ATOM 218 CD PRO A 10 13.710 -5.133 0.312 1.00 0.00 C ATOM 0 HA PRO A 10 11.306 -5.654 -1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.594 -7.669 0.380 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.650 -7.499 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.048 -6.531 1.802 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.225 -7.185 0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.145 -4.542 1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.430 -5.135 -0.507 1.00 0.00 H new ATOM 226 N GLN A 11 10.157 -4.968 1.320 1.00 0.00 N ATOM 227 CA GLN A 11 8.939 -4.783 2.098 1.00 0.00 C ATOM 228 C GLN A 11 7.799 -4.304 1.215 1.00 0.00 C ATOM 229 O GLN A 11 6.639 -4.563 1.504 1.00 0.00 O ATOM 230 CB GLN A 11 9.179 -3.773 3.218 1.00 0.00 C ATOM 231 CG GLN A 11 10.039 -4.303 4.353 1.00 0.00 C ATOM 232 CD GLN A 11 10.245 -3.281 5.454 1.00 0.00 C ATOM 233 OE1 GLN A 11 10.202 -3.610 6.639 1.00 0.00 O ATOM 234 NE2 GLN A 11 10.468 -2.031 5.065 1.00 0.00 N ATOM 0 H GLN A 11 10.991 -4.566 1.749 1.00 0.00 H new ATOM 0 HA GLN A 11 8.664 -5.745 2.530 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.655 -2.887 2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.217 -3.458 3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.572 -5.194 4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.008 -4.607 3.958 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.495 -1.803 4.071 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.612 -1.299 5.760 1.00 0.00 H new ATOM 243 N ALA A 12 8.124 -3.609 0.130 1.00 0.00 N ATOM 244 CA ALA A 12 7.095 -3.121 -0.780 1.00 0.00 C ATOM 245 C ALA A 12 6.049 -4.207 -1.019 1.00 0.00 C ATOM 246 O ALA A 12 4.859 -4.021 -0.754 1.00 0.00 O ATOM 247 CB ALA A 12 7.717 -2.678 -2.095 1.00 0.00 C ATOM 0 H ALA A 12 9.079 -3.373 -0.138 1.00 0.00 H new ATOM 0 HA ALA A 12 6.605 -2.260 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.936 -2.316 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.433 -1.878 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.229 -3.522 -2.558 1.00 0.00 H new ATOM 253 N ARG A 13 6.518 -5.354 -1.496 1.00 0.00 N ATOM 254 CA ARG A 13 5.650 -6.496 -1.758 1.00 0.00 C ATOM 255 C ARG A 13 5.364 -7.265 -0.471 1.00 0.00 C ATOM 256 O ARG A 13 4.270 -7.794 -0.286 1.00 0.00 O ATOM 257 CB ARG A 13 6.300 -7.427 -2.785 1.00 0.00 C ATOM 258 CG ARG A 13 7.511 -8.173 -2.245 1.00 0.00 C ATOM 259 CD ARG A 13 8.538 -8.436 -3.335 1.00 0.00 C ATOM 260 NE ARG A 13 8.564 -9.840 -3.736 1.00 0.00 N ATOM 261 CZ ARG A 13 9.562 -10.400 -4.415 1.00 0.00 C ATOM 262 NH1 ARG A 13 10.619 -9.679 -4.768 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.505 -11.683 -4.742 1.00 0.00 N ATOM 0 H ARG A 13 7.502 -5.518 -1.710 1.00 0.00 H new ATOM 0 HA ARG A 13 4.707 -6.123 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.560 -8.151 -3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.601 -6.843 -3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.970 -7.592 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.191 -9.120 -1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.313 -7.816 -4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.526 -8.142 -2.981 1.00 0.00 H new ATOM 0 HE ARG A 13 7.770 -10.426 -3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.669 -8.691 -4.519 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.382 -10.113 -5.288 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.695 -12.242 -4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.271 -12.111 -5.263 1.00 0.00 H new ATOM 277 N ALA A 14 6.360 -7.330 0.412 1.00 0.00 N ATOM 278 CA ALA A 14 6.221 -8.042 1.679 1.00 0.00 C ATOM 279 C ALA A 14 5.193 -7.367 2.579 1.00 0.00 C ATOM 280 O ALA A 14 4.218 -7.988 3.005 1.00 0.00 O ATOM 281 CB ALA A 14 7.569 -8.129 2.378 1.00 0.00 C ATOM 0 H ALA A 14 7.273 -6.897 0.272 1.00 0.00 H new ATOM 0 HA ALA A 14 5.866 -9.051 1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.456 -8.662 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.275 -8.664 1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.944 -7.124 2.571 1.00 0.00 H new ATOM 287 N PHE A 15 5.412 -6.089 2.859 1.00 0.00 N ATOM 288 CA PHE A 15 4.506 -5.319 3.693 1.00 0.00 C ATOM 289 C PHE A 15 3.087 -5.440 3.163 1.00 0.00 C ATOM 290 O PHE A 15 2.164 -5.759 3.906 1.00 0.00 O ATOM 291 CB PHE A 15 4.965 -3.846 3.772 1.00 0.00 C ATOM 292 CG PHE A 15 4.331 -2.910 2.767 1.00 0.00 C ATOM 293 CD1 PHE A 15 2.975 -2.620 2.818 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.098 -2.316 1.774 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.399 -1.763 1.898 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.526 -1.458 0.855 1.00 0.00 C ATOM 297 CZ PHE A 15 3.175 -1.182 0.915 1.00 0.00 C ATOM 0 H PHE A 15 6.216 -5.563 2.517 1.00 0.00 H new ATOM 0 HA PHE A 15 4.521 -5.719 4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.754 -3.472 4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.047 -3.813 3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.362 -3.069 3.585 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.156 -2.527 1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.342 -1.548 1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.136 -1.003 0.089 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.726 -0.514 0.195 1.00 0.00 H new ATOM 307 N LEU A 16 2.924 -5.207 1.866 1.00 0.00 N ATOM 308 CA LEU A 16 1.615 -5.318 1.242 1.00 0.00 C ATOM 309 C LEU A 16 1.169 -6.771 1.236 1.00 0.00 C ATOM 310 O LEU A 16 -0.012 -7.070 1.409 1.00 0.00 O ATOM 311 CB LEU A 16 1.646 -4.772 -0.188 1.00 0.00 C ATOM 312 CG LEU A 16 0.428 -5.129 -1.048 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.506 -3.937 -1.178 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.869 -5.621 -2.418 1.00 0.00 C ATOM 0 H LEU A 16 3.677 -4.942 1.231 1.00 0.00 H new ATOM 0 HA LEU A 16 0.905 -4.725 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.734 -3.686 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.543 -5.145 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.117 -5.934 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.364 -4.212 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.850 -3.635 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.025 -3.108 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.008 -5.870 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.439 -4.839 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.493 -6.507 -2.303 1.00 0.00 H new ATOM 326 N GLU A 17 2.127 -7.675 1.043 1.00 0.00 N ATOM 327 CA GLU A 17 1.833 -9.102 1.022 1.00 0.00 C ATOM 328 C GLU A 17 0.973 -9.477 2.217 1.00 0.00 C ATOM 329 O GLU A 17 -0.151 -9.946 2.059 1.00 0.00 O ATOM 330 CB GLU A 17 3.128 -9.922 1.022 1.00 0.00 C ATOM 331 CG GLU A 17 3.448 -10.549 -0.325 1.00 0.00 C ATOM 332 CD GLU A 17 4.744 -11.337 -0.307 1.00 0.00 C ATOM 333 OE1 GLU A 17 5.567 -11.107 0.605 1.00 0.00 O ATOM 334 OE2 GLU A 17 4.936 -12.185 -1.205 1.00 0.00 O ATOM 0 H GLU A 17 3.110 -7.444 0.900 1.00 0.00 H new ATOM 0 HA GLU A 17 1.284 -9.328 0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.956 -9.279 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.050 -10.710 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.631 -11.207 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.514 -9.766 -1.080 1.00 0.00 H new ATOM 341 N GLN A 18 1.505 -9.246 3.410 1.00 0.00 N ATOM 342 CA GLN A 18 0.782 -9.544 4.637 1.00 0.00 C ATOM 343 C GLN A 18 -0.455 -8.659 4.761 1.00 0.00 C ATOM 344 O GLN A 18 -1.493 -9.100 5.255 1.00 0.00 O ATOM 345 CB GLN A 18 1.691 -9.378 5.861 1.00 0.00 C ATOM 346 CG GLN A 18 2.705 -8.249 5.741 1.00 0.00 C ATOM 347 CD GLN A 18 2.752 -7.371 6.976 1.00 0.00 C ATOM 348 OE1 GLN A 18 3.827 -7.048 7.481 1.00 0.00 O ATOM 349 NE2 GLN A 18 1.583 -6.977 7.468 1.00 0.00 N ATOM 0 H GLN A 18 2.435 -8.853 3.553 1.00 0.00 H new ATOM 0 HA GLN A 18 0.457 -10.584 4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.070 -9.201 6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.225 -10.313 6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.694 -8.672 5.563 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.459 -7.636 4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.716 -7.269 7.017 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.553 -6.383 8.297 1.00 0.00 H new ATOM 358 N VAL A 19 -0.352 -7.414 4.292 1.00 0.00 N ATOM 359 CA VAL A 19 -1.485 -6.489 4.343 1.00 0.00 C ATOM 360 C VAL A 19 -2.675 -7.078 3.591 1.00 0.00 C ATOM 361 O VAL A 19 -3.705 -7.395 4.185 1.00 0.00 O ATOM 362 CB VAL A 19 -1.127 -5.112 3.740 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.346 -4.199 3.690 1.00 0.00 C ATOM 364 CG2 VAL A 19 -0.009 -4.454 4.532 1.00 0.00 C ATOM 0 H VAL A 19 0.495 -7.026 3.877 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.743 -6.344 5.392 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.783 -5.276 2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.063 -3.238 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.119 -4.658 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.729 -4.048 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.228 -3.486 4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.328 -4.314 5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.876 -5.090 4.509 1.00 0.00 H new ATOM 374 N PHE A 20 -2.517 -7.232 2.279 1.00 0.00 N ATOM 375 CA PHE A 20 -3.569 -7.797 1.442 1.00 0.00 C ATOM 376 C PHE A 20 -3.910 -9.223 1.880 1.00 0.00 C ATOM 377 O PHE A 20 -4.966 -9.750 1.535 1.00 0.00 O ATOM 378 CB PHE A 20 -3.122 -7.790 -0.022 1.00 0.00 C ATOM 379 CG PHE A 20 -4.084 -8.462 -0.961 1.00 0.00 C ATOM 380 CD1 PHE A 20 -4.122 -9.844 -1.062 1.00 0.00 C ATOM 381 CD2 PHE A 20 -4.944 -7.713 -1.747 1.00 0.00 C ATOM 382 CE1 PHE A 20 -5.002 -10.465 -1.928 1.00 0.00 C ATOM 383 CE2 PHE A 20 -5.825 -8.328 -2.616 1.00 0.00 C ATOM 384 CZ PHE A 20 -5.854 -9.707 -2.706 1.00 0.00 C ATOM 0 H PHE A 20 -1.670 -6.973 1.773 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.465 -7.185 1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.980 -6.758 -0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.153 -8.284 -0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.457 -10.442 -0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.926 -6.635 -1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.023 -11.543 -1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.490 -7.732 -3.224 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.542 -10.191 -3.384 1.00 0.00 H new ATOM 394 N ARG A 21 -3.013 -9.843 2.642 1.00 0.00 N ATOM 395 CA ARG A 21 -3.229 -11.202 3.125 1.00 0.00 C ATOM 396 C ARG A 21 -4.213 -11.214 4.286 1.00 0.00 C ATOM 397 O ARG A 21 -5.051 -12.110 4.397 1.00 0.00 O ATOM 398 CB ARG A 21 -1.906 -11.824 3.571 1.00 0.00 C ATOM 399 CG ARG A 21 -1.714 -13.256 3.100 1.00 0.00 C ATOM 400 CD ARG A 21 -0.765 -13.327 1.914 1.00 0.00 C ATOM 401 NE ARG A 21 -0.317 -14.693 1.651 1.00 0.00 N ATOM 402 CZ ARG A 21 0.662 -15.294 2.322 1.00 0.00 C ATOM 403 NH1 ARG A 21 1.297 -14.657 3.299 1.00 0.00 N ATOM 404 NH2 ARG A 21 1.008 -16.537 2.016 1.00 0.00 N ATOM 0 H ARG A 21 -2.131 -9.426 2.938 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.645 -11.788 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.084 -11.214 3.196 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.851 -11.799 4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.322 -13.860 3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.678 -13.682 2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.262 -12.932 1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.100 -12.692 2.104 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.782 -15.216 0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.035 -13.701 3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.047 -15.124 3.809 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.524 -17.031 1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.758 -16.999 2.530 1.00 0.00 H new ATOM 418 N ARG A 22 -4.103 -10.213 5.153 1.00 0.00 N ATOM 419 CA ARG A 22 -4.981 -10.107 6.312 1.00 0.00 C ATOM 420 C ARG A 22 -6.437 -10.017 5.876 1.00 0.00 C ATOM 421 O ARG A 22 -7.317 -10.640 6.468 1.00 0.00 O ATOM 422 CB ARG A 22 -4.615 -8.878 7.141 1.00 0.00 C ATOM 423 CG ARG A 22 -3.567 -9.152 8.209 1.00 0.00 C ATOM 424 CD ARG A 22 -2.437 -8.136 8.160 1.00 0.00 C ATOM 425 NE ARG A 22 -1.354 -8.479 9.079 1.00 0.00 N ATOM 426 CZ ARG A 22 -0.528 -9.508 8.900 1.00 0.00 C ATOM 427 NH1 ARG A 22 -0.657 -10.295 7.839 1.00 0.00 N ATOM 428 NH2 ARG A 22 0.430 -9.750 9.785 1.00 0.00 N ATOM 0 H ARG A 22 -3.415 -9.464 5.075 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.852 -11.002 6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.247 -8.098 6.475 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.515 -8.491 7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.035 -9.129 9.193 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.161 -10.155 8.073 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.046 -8.077 7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.826 -7.149 8.410 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.223 -7.896 9.906 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.392 -10.113 7.155 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.021 -11.082 7.707 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.534 -9.148 10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.063 -10.538 9.649 1.00 0.00 H new ATOM 442 N LYS A 23 -6.676 -9.239 4.830 1.00 0.00 N ATOM 443 CA LYS A 23 -8.022 -9.063 4.297 1.00 0.00 C ATOM 444 C LYS A 23 -7.971 -8.452 2.893 1.00 0.00 C ATOM 445 O LYS A 23 -7.068 -8.756 2.118 1.00 0.00 O ATOM 446 CB LYS A 23 -8.863 -8.202 5.247 1.00 0.00 C ATOM 447 CG LYS A 23 -8.443 -6.742 5.286 1.00 0.00 C ATOM 448 CD LYS A 23 -9.496 -5.856 5.942 1.00 0.00 C ATOM 449 CE LYS A 23 -10.906 -6.175 5.465 1.00 0.00 C ATOM 450 NZ LYS A 23 -11.566 -7.194 6.327 1.00 0.00 N ATOM 0 H LYS A 23 -5.954 -8.718 4.332 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.497 -10.041 4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.909 -8.262 4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.796 -8.616 6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.503 -6.651 5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.258 -6.392 4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.446 -5.978 7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.271 -4.811 5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.503 -5.263 5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.869 -6.538 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.994 -7.930 5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.860 -7.627 6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.306 -6.738 6.899 1.00 0.00 H new ATOM 464 N GLN A 24 -8.939 -7.598 2.556 1.00 0.00 N ATOM 465 CA GLN A 24 -8.969 -6.980 1.236 1.00 0.00 C ATOM 466 C GLN A 24 -9.511 -5.557 1.296 1.00 0.00 C ATOM 467 O GLN A 24 -8.935 -4.637 0.717 1.00 0.00 O ATOM 468 CB GLN A 24 -9.831 -7.807 0.275 1.00 0.00 C ATOM 469 CG GLN A 24 -9.723 -9.311 0.475 1.00 0.00 C ATOM 470 CD GLN A 24 -8.490 -9.900 -0.181 1.00 0.00 C ATOM 471 OE1 GLN A 24 -8.211 -9.635 -1.350 1.00 0.00 O ATOM 472 NE2 GLN A 24 -7.747 -10.706 0.569 1.00 0.00 N ATOM 0 H GLN A 24 -9.703 -7.323 3.173 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.942 -6.946 0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.873 -7.510 0.393 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.545 -7.567 -0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.702 -9.531 1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.612 -9.793 0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.017 -10.897 1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.907 -11.134 0.180 1.00 0.00 H new ATOM 481 N SER A 25 -10.638 -5.392 1.974 1.00 0.00 N ATOM 482 CA SER A 25 -11.282 -4.088 2.083 1.00 0.00 C ATOM 483 C SER A 25 -10.729 -3.256 3.238 1.00 0.00 C ATOM 484 O SER A 25 -11.400 -3.066 4.253 1.00 0.00 O ATOM 485 CB SER A 25 -12.792 -4.265 2.249 1.00 0.00 C ATOM 486 OG SER A 25 -13.468 -3.026 2.130 1.00 0.00 O ATOM 0 H SER A 25 -11.127 -6.145 2.458 1.00 0.00 H new ATOM 0 HA SER A 25 -11.068 -3.546 1.162 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.165 -4.960 1.496 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.004 -4.706 3.223 1.00 0.00 H new ATOM 0 HG SER A 25 -14.432 -3.167 2.239 1.00 0.00 H new ATOM 492 N LEU A 26 -9.515 -2.739 3.071 1.00 0.00 N ATOM 493 CA LEU A 26 -8.902 -1.901 4.098 1.00 0.00 C ATOM 494 C LEU A 26 -9.580 -0.532 4.119 1.00 0.00 C ATOM 495 O LEU A 26 -9.475 0.231 3.158 1.00 0.00 O ATOM 496 CB LEU A 26 -7.398 -1.725 3.844 1.00 0.00 C ATOM 497 CG LEU A 26 -6.572 -3.014 3.713 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.175 -2.814 4.287 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.262 -4.183 4.399 1.00 0.00 C ATOM 0 H LEU A 26 -8.940 -2.884 2.241 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.033 -2.393 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.271 -1.144 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.981 -1.133 4.659 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.486 -3.248 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.604 -3.737 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.670 -2.014 3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.250 -2.548 5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.653 -5.080 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.390 -3.959 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.238 -4.348 3.942 1.00 0.00 H new ATOM 511 N ASN A 27 -10.281 -0.223 5.206 1.00 0.00 N ATOM 512 CA ASN A 27 -10.975 1.056 5.320 1.00 0.00 C ATOM 513 C ASN A 27 -10.058 2.125 5.907 1.00 0.00 C ATOM 514 O ASN A 27 -8.909 1.849 6.249 1.00 0.00 O ATOM 515 CB ASN A 27 -12.242 0.905 6.171 1.00 0.00 C ATOM 516 CG ASN A 27 -11.954 0.828 7.659 1.00 0.00 C ATOM 517 OD1 ASN A 27 -11.970 1.842 8.358 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.690 -0.376 8.151 1.00 0.00 N ATOM 0 H ASN A 27 -10.383 -0.836 6.015 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.266 1.375 4.319 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.905 1.749 5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -12.774 0.005 5.863 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.490 -0.488 9.145 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.687 -1.189 7.535 1.00 0.00 H new ATOM 525 N SER A 28 -10.571 3.347 6.023 1.00 0.00 N ATOM 526 CA SER A 28 -9.796 4.459 6.570 1.00 0.00 C ATOM 527 C SER A 28 -9.094 4.054 7.863 1.00 0.00 C ATOM 528 O SER A 28 -8.036 4.584 8.203 1.00 0.00 O ATOM 529 CB SER A 28 -10.703 5.664 6.825 1.00 0.00 C ATOM 530 OG SER A 28 -10.734 6.526 5.701 1.00 0.00 O ATOM 0 H SER A 28 -11.521 3.593 5.745 1.00 0.00 H new ATOM 0 HA SER A 28 -9.037 4.732 5.837 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.712 5.322 7.052 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.348 6.212 7.698 1.00 0.00 H new ATOM 0 HG SER A 28 -11.322 7.287 5.889 1.00 0.00 H new ATOM 536 N LYS A 29 -9.693 3.110 8.577 1.00 0.00 N ATOM 537 CA LYS A 29 -9.140 2.621 9.830 1.00 0.00 C ATOM 538 C LYS A 29 -7.982 1.667 9.577 1.00 0.00 C ATOM 539 O LYS A 29 -6.902 1.820 10.144 1.00 0.00 O ATOM 540 CB LYS A 29 -10.228 1.906 10.627 1.00 0.00 C ATOM 541 CG LYS A 29 -11.355 2.818 11.092 1.00 0.00 C ATOM 542 CD LYS A 29 -10.822 4.113 11.683 1.00 0.00 C ATOM 543 CE LYS A 29 -10.862 5.246 10.670 1.00 0.00 C ATOM 544 NZ LYS A 29 -11.443 6.489 11.248 1.00 0.00 N ATOM 0 H LYS A 29 -10.570 2.665 8.305 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.767 3.473 10.398 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.649 1.109 10.014 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.775 1.433 11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.011 3.044 10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.959 2.300 11.837 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.412 4.385 12.558 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.797 3.964 12.024 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.852 5.449 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.450 4.939 9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.452 7.237 10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.416 6.303 11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.868 6.797 12.058 1.00 0.00 H new ATOM 558 N GLU A 30 -8.215 0.686 8.719 1.00 0.00 N ATOM 559 CA GLU A 30 -7.197 -0.293 8.384 1.00 0.00 C ATOM 560 C GLU A 30 -6.113 0.358 7.551 1.00 0.00 C ATOM 561 O GLU A 30 -4.938 0.083 7.722 1.00 0.00 O ATOM 562 CB GLU A 30 -7.806 -1.467 7.619 1.00 0.00 C ATOM 563 CG GLU A 30 -8.906 -2.185 8.384 1.00 0.00 C ATOM 564 CD GLU A 30 -8.890 -3.686 8.163 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.844 -4.212 7.726 1.00 0.00 O ATOM 566 OE2 GLU A 30 -9.924 -4.334 8.427 1.00 0.00 O ATOM 0 H GLU A 30 -9.105 0.548 8.241 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.764 -0.672 9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.209 -1.104 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.018 -2.180 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.797 -1.978 9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.874 -1.787 8.079 1.00 0.00 H new ATOM 573 N LYS A 31 -6.520 1.237 6.655 1.00 0.00 N ATOM 574 CA LYS A 31 -5.577 1.936 5.806 1.00 0.00 C ATOM 575 C LYS A 31 -4.588 2.726 6.658 1.00 0.00 C ATOM 576 O LYS A 31 -3.419 2.853 6.313 1.00 0.00 O ATOM 577 CB LYS A 31 -6.334 2.855 4.847 1.00 0.00 C ATOM 578 CG LYS A 31 -6.503 4.276 5.353 1.00 0.00 C ATOM 579 CD LYS A 31 -7.143 5.167 4.305 1.00 0.00 C ATOM 580 CE LYS A 31 -7.434 6.555 4.852 1.00 0.00 C ATOM 581 NZ LYS A 31 -7.476 7.580 3.772 1.00 0.00 N ATOM 0 H LYS A 31 -7.497 1.483 6.497 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.011 1.213 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.807 2.881 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.319 2.430 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.118 4.272 6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.531 4.682 5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.482 5.247 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.070 4.711 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.388 6.545 5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.669 6.826 5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.677 8.513 4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.558 7.608 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.223 7.336 3.090 1.00 0.00 H new ATOM 595 N GLU A 32 -5.074 3.250 7.776 1.00 0.00 N ATOM 596 CA GLU A 32 -4.238 4.023 8.684 1.00 0.00 C ATOM 597 C GLU A 32 -3.601 3.117 9.734 1.00 0.00 C ATOM 598 O GLU A 32 -2.448 3.308 10.122 1.00 0.00 O ATOM 599 CB GLU A 32 -5.071 5.119 9.357 1.00 0.00 C ATOM 600 CG GLU A 32 -6.010 4.610 10.443 1.00 0.00 C ATOM 601 CD GLU A 32 -6.623 5.733 11.256 1.00 0.00 C ATOM 602 OE1 GLU A 32 -5.918 6.290 12.124 1.00 0.00 O ATOM 603 OE2 GLU A 32 -7.807 6.056 11.025 1.00 0.00 O ATOM 0 H GLU A 32 -6.044 3.153 8.076 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.439 4.490 8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.397 5.857 9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.658 5.633 8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.805 4.022 9.985 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.463 3.942 11.108 1.00 0.00 H new ATOM 610 N GLU A 33 -4.365 2.129 10.185 1.00 0.00 N ATOM 611 CA GLU A 33 -3.896 1.180 11.185 1.00 0.00 C ATOM 612 C GLU A 33 -2.889 0.212 10.576 1.00 0.00 C ATOM 613 O GLU A 33 -1.944 -0.223 11.234 1.00 0.00 O ATOM 614 CB GLU A 33 -5.085 0.402 11.746 1.00 0.00 C ATOM 615 CG GLU A 33 -6.015 1.246 12.602 1.00 0.00 C ATOM 616 CD GLU A 33 -5.737 1.101 14.085 1.00 0.00 C ATOM 617 OE1 GLU A 33 -4.668 1.563 14.537 1.00 0.00 O ATOM 618 OE2 GLU A 33 -6.588 0.524 14.795 1.00 0.00 O ATOM 0 H GLU A 33 -5.321 1.964 9.870 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.405 1.730 11.988 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.653 -0.024 10.919 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.714 -0.433 12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.913 2.293 12.318 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.047 0.960 12.400 1.00 0.00 H new ATOM 625 N VAL A 34 -3.111 -0.115 9.313 1.00 0.00 N ATOM 626 CA VAL A 34 -2.246 -1.030 8.579 1.00 0.00 C ATOM 627 C VAL A 34 -1.015 -0.300 8.053 1.00 0.00 C ATOM 628 O VAL A 34 0.088 -0.842 8.056 1.00 0.00 O ATOM 629 CB VAL A 34 -3.010 -1.688 7.403 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.095 -2.564 6.559 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.186 -2.498 7.926 1.00 0.00 C ATOM 0 H VAL A 34 -3.894 0.245 8.767 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.926 -1.812 9.268 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.385 -0.890 6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.667 -3.008 5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.288 -1.957 6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.674 -3.355 7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.714 -2.955 7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.822 -3.278 8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.866 -1.842 8.470 1.00 0.00 H new ATOM 641 N ALA A 35 -1.212 0.934 7.601 1.00 0.00 N ATOM 642 CA ALA A 35 -0.111 1.731 7.071 1.00 0.00 C ATOM 643 C ALA A 35 0.953 2.011 8.129 1.00 0.00 C ATOM 644 O ALA A 35 2.138 2.106 7.819 1.00 0.00 O ATOM 645 CB ALA A 35 -0.631 3.036 6.494 1.00 0.00 C ATOM 0 H ALA A 35 -2.118 1.402 7.591 1.00 0.00 H new ATOM 0 HA ALA A 35 0.358 1.149 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.203 3.619 6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.334 2.823 5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.136 3.604 7.276 1.00 0.00 H new ATOM 651 N LYS A 36 0.524 2.163 9.376 1.00 0.00 N ATOM 652 CA LYS A 36 1.449 2.454 10.467 1.00 0.00 C ATOM 653 C LYS A 36 2.029 1.182 11.087 1.00 0.00 C ATOM 654 O LYS A 36 3.050 1.231 11.773 1.00 0.00 O ATOM 655 CB LYS A 36 0.746 3.282 11.543 1.00 0.00 C ATOM 656 CG LYS A 36 -0.240 2.485 12.380 1.00 0.00 C ATOM 657 CD LYS A 36 -0.872 3.345 13.463 1.00 0.00 C ATOM 658 CE LYS A 36 -2.195 2.767 13.939 1.00 0.00 C ATOM 659 NZ LYS A 36 -3.356 3.555 13.441 1.00 0.00 N ATOM 0 H LYS A 36 -0.454 2.090 9.657 1.00 0.00 H new ATOM 0 HA LYS A 36 2.279 3.023 10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.497 3.719 12.201 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.219 4.109 11.066 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.019 2.077 11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.271 1.638 12.838 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.187 3.429 14.307 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.032 4.353 13.080 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.284 1.735 13.599 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.211 2.746 15.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.231 3.010 13.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.419 4.450 13.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.231 3.756 12.428 1.00 0.00 H new ATOM 673 N LYS A 37 1.373 0.049 10.860 1.00 0.00 N ATOM 674 CA LYS A 37 1.835 -1.219 11.420 1.00 0.00 C ATOM 675 C LYS A 37 2.536 -2.072 10.366 1.00 0.00 C ATOM 676 O LYS A 37 3.373 -2.913 10.694 1.00 0.00 O ATOM 677 CB LYS A 37 0.661 -1.990 12.030 1.00 0.00 C ATOM 678 CG LYS A 37 -0.264 -2.623 11.000 1.00 0.00 C ATOM 679 CD LYS A 37 -0.148 -4.139 11.002 1.00 0.00 C ATOM 680 CE LYS A 37 -1.472 -4.799 10.654 1.00 0.00 C ATOM 681 NZ LYS A 37 -2.401 -4.829 11.817 1.00 0.00 N ATOM 0 H LYS A 37 0.526 -0.019 10.296 1.00 0.00 H new ATOM 0 HA LYS A 37 2.558 -0.993 12.203 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.052 -2.772 12.682 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.081 -1.313 12.657 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.294 -2.336 11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.022 -2.240 10.009 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.613 -4.448 10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.182 -4.478 11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.940 -4.261 9.830 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.290 -5.817 10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.292 -5.287 11.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.966 -5.364 12.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.595 -3.857 12.131 1.00 0.00 H new ATOM 695 N CYS A 38 2.188 -1.858 9.103 1.00 0.00 N ATOM 696 CA CYS A 38 2.785 -2.617 8.011 1.00 0.00 C ATOM 697 C CYS A 38 3.908 -1.831 7.345 1.00 0.00 C ATOM 698 O CYS A 38 4.861 -2.414 6.829 1.00 0.00 O ATOM 699 CB CYS A 38 1.720 -2.995 6.982 1.00 0.00 C ATOM 700 SG CYS A 38 0.441 -4.096 7.629 1.00 0.00 S ATOM 0 H CYS A 38 1.497 -1.167 8.810 1.00 0.00 H new ATOM 0 HA CYS A 38 3.212 -3.529 8.428 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.249 -2.085 6.609 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.204 -3.475 6.131 1.00 0.00 H new ATOM 0 HG CYS A 38 0.275 -5.095 6.813 1.00 0.00 H new ATOM 706 N GLY A 39 3.800 -0.505 7.367 1.00 0.00 N ATOM 707 CA GLY A 39 4.831 0.325 6.769 1.00 0.00 C ATOM 708 C GLY A 39 4.332 1.162 5.606 1.00 0.00 C ATOM 709 O GLY A 39 5.118 1.588 4.762 1.00 0.00 O ATOM 0 H GLY A 39 3.023 0.006 7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.243 0.986 7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.646 -0.312 6.425 1.00 0.00 H new ATOM 713 N ILE A 40 3.030 1.414 5.569 1.00 0.00 N ATOM 714 CA ILE A 40 2.443 2.223 4.509 1.00 0.00 C ATOM 715 C ILE A 40 1.982 3.565 5.075 1.00 0.00 C ATOM 716 O ILE A 40 2.386 3.952 6.172 1.00 0.00 O ATOM 717 CB ILE A 40 1.250 1.512 3.823 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.140 0.050 4.265 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.387 1.580 2.309 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.111 -0.628 3.753 1.00 0.00 C ATOM 0 H ILE A 40 2.362 1.071 6.259 1.00 0.00 H new ATOM 0 HA ILE A 40 3.214 2.379 3.754 1.00 0.00 H new ATOM 0 HB ILE A 40 0.341 2.032 4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.014 -0.498 3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.153 0.003 5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.540 1.075 1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.407 2.623 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.312 1.091 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.132 -1.661 4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.989 -0.102 4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.114 -0.610 2.663 1.00 0.00 H new ATOM 732 N THR A 41 1.139 4.277 4.333 1.00 0.00 N ATOM 733 CA THR A 41 0.640 5.571 4.786 1.00 0.00 C ATOM 734 C THR A 41 -0.768 5.831 4.254 1.00 0.00 C ATOM 735 O THR A 41 -1.159 5.294 3.219 1.00 0.00 O ATOM 736 CB THR A 41 1.584 6.693 4.345 1.00 0.00 C ATOM 737 OG1 THR A 41 2.779 6.160 3.800 1.00 0.00 O ATOM 738 CG2 THR A 41 1.972 7.626 5.471 1.00 0.00 C ATOM 0 H THR A 41 0.789 3.982 3.421 1.00 0.00 H new ATOM 0 HA THR A 41 0.598 5.553 5.875 1.00 0.00 H new ATOM 0 HB THR A 41 1.028 7.260 3.599 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.368 6.893 3.523 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.642 8.397 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.077 8.093 5.881 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.478 7.061 6.254 1.00 0.00 H new ATOM 746 N PRO A 42 -1.552 6.667 4.961 1.00 0.00 N ATOM 747 CA PRO A 42 -2.922 6.999 4.555 1.00 0.00 C ATOM 748 C PRO A 42 -3.012 7.381 3.082 1.00 0.00 C ATOM 749 O PRO A 42 -4.050 7.200 2.447 1.00 0.00 O ATOM 750 CB PRO A 42 -3.269 8.194 5.442 1.00 0.00 C ATOM 751 CG PRO A 42 -2.440 8.009 6.665 1.00 0.00 C ATOM 752 CD PRO A 42 -1.163 7.354 6.209 1.00 0.00 C ATOM 0 HA PRO A 42 -3.601 6.154 4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.038 9.136 4.945 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.332 8.213 5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.237 8.966 7.146 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.957 7.388 7.396 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.376 8.088 6.034 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.785 6.652 6.952 1.00 0.00 H new ATOM 760 N LEU A 43 -1.916 7.907 2.546 1.00 0.00 N ATOM 761 CA LEU A 43 -1.864 8.311 1.146 1.00 0.00 C ATOM 762 C LEU A 43 -1.494 7.128 0.257 1.00 0.00 C ATOM 763 O LEU A 43 -1.882 7.066 -0.911 1.00 0.00 O ATOM 764 CB LEU A 43 -0.851 9.444 0.957 1.00 0.00 C ATOM 765 CG LEU A 43 -1.255 10.510 -0.061 1.00 0.00 C ATOM 766 CD1 LEU A 43 -2.236 11.493 0.558 1.00 0.00 C ATOM 767 CD2 LEU A 43 -0.027 11.238 -0.585 1.00 0.00 C ATOM 0 H LEU A 43 -1.050 8.064 3.061 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.853 8.667 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.685 9.927 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.101 9.012 0.649 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.746 10.017 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.513 12.245 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.129 10.959 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.771 11.980 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.333 11.993 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.492 11.719 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.641 10.524 -1.066 1.00 0.00 H new ATOM 779 N GLN A 44 -0.748 6.184 0.821 1.00 0.00 N ATOM 780 CA GLN A 44 -0.338 5.000 0.083 1.00 0.00 C ATOM 781 C GLN A 44 -1.458 3.975 0.087 1.00 0.00 C ATOM 782 O GLN A 44 -1.954 3.580 -0.959 1.00 0.00 O ATOM 783 CB GLN A 44 0.927 4.395 0.690 1.00 0.00 C ATOM 784 CG GLN A 44 1.907 5.430 1.215 1.00 0.00 C ATOM 785 CD GLN A 44 2.352 6.407 0.144 1.00 0.00 C ATOM 786 OE1 GLN A 44 2.902 6.011 -0.884 1.00 0.00 O ATOM 787 NE2 GLN A 44 2.116 7.691 0.381 1.00 0.00 N ATOM 0 H GLN A 44 -0.417 6.218 1.785 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.121 5.291 -0.945 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.645 3.728 1.505 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.425 3.785 -0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.444 5.980 2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.781 4.923 1.625 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.657 7.974 1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.393 8.395 -0.303 1.00 0.00 H new ATOM 796 N VAL A 45 -1.860 3.563 1.278 1.00 0.00 N ATOM 797 CA VAL A 45 -2.932 2.587 1.446 1.00 0.00 C ATOM 798 C VAL A 45 -4.036 2.750 0.402 1.00 0.00 C ATOM 799 O VAL A 45 -4.639 1.775 -0.028 1.00 0.00 O ATOM 800 CB VAL A 45 -3.547 2.719 2.839 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.537 2.301 3.888 1.00 0.00 C ATOM 802 CG2 VAL A 45 -4.011 4.148 3.079 1.00 0.00 C ATOM 0 H VAL A 45 -1.456 3.892 2.155 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.486 1.601 1.317 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.415 2.064 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.981 2.397 4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.246 1.264 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.657 2.941 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.447 4.227 4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.160 4.825 3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.759 4.418 2.333 1.00 0.00 H new ATOM 812 N ARG A 46 -4.295 3.983 -0.008 1.00 0.00 N ATOM 813 CA ARG A 46 -5.323 4.242 -1.003 1.00 0.00 C ATOM 814 C ARG A 46 -4.789 4.012 -2.417 1.00 0.00 C ATOM 815 O ARG A 46 -5.337 3.210 -3.168 1.00 0.00 O ATOM 816 CB ARG A 46 -5.869 5.664 -0.862 1.00 0.00 C ATOM 817 CG ARG A 46 -4.810 6.712 -0.563 1.00 0.00 C ATOM 818 CD ARG A 46 -4.921 7.905 -1.500 1.00 0.00 C ATOM 819 NE ARG A 46 -6.303 8.359 -1.646 1.00 0.00 N ATOM 820 CZ ARG A 46 -6.683 9.324 -2.479 1.00 0.00 C ATOM 821 NH1 ARG A 46 -5.790 9.937 -3.247 1.00 0.00 N ATOM 822 NH2 ARG A 46 -7.959 9.677 -2.547 1.00 0.00 N ATOM 0 H ARG A 46 -3.811 4.814 0.331 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.139 3.541 -0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.384 5.936 -1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.613 5.678 -0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.912 7.049 0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.820 6.266 -0.657 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.309 8.723 -1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.522 7.636 -2.478 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.018 7.909 -1.075 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.807 9.669 -3.200 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.087 10.676 -3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.650 9.209 -1.960 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.250 10.417 -3.186 1.00 0.00 H new ATOM 836 N VAL A 47 -3.715 4.711 -2.776 1.00 0.00 N ATOM 837 CA VAL A 47 -3.118 4.569 -4.103 1.00 0.00 C ATOM 838 C VAL A 47 -2.409 3.226 -4.251 1.00 0.00 C ATOM 839 O VAL A 47 -2.527 2.551 -5.273 1.00 0.00 O ATOM 840 CB VAL A 47 -2.099 5.691 -4.370 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.761 7.049 -4.219 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.907 5.556 -3.431 1.00 0.00 C ATOM 0 H VAL A 47 -3.241 5.380 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.932 4.630 -4.825 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.736 5.603 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.029 7.834 -4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.581 7.135 -4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.149 7.154 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.194 6.356 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.248 5.624 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.425 4.592 -3.592 1.00 0.00 H new ATOM 852 N TRP A 48 -1.667 2.861 -3.219 1.00 0.00 N ATOM 853 CA TRP A 48 -0.922 1.618 -3.200 1.00 0.00 C ATOM 854 C TRP A 48 -1.865 0.421 -3.310 1.00 0.00 C ATOM 855 O TRP A 48 -1.718 -0.403 -4.212 1.00 0.00 O ATOM 856 CB TRP A 48 -0.073 1.553 -1.925 1.00 0.00 C ATOM 857 CG TRP A 48 1.387 1.355 -2.196 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.300 2.327 -2.487 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.104 0.115 -2.209 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.541 1.769 -2.680 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.446 0.413 -2.515 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.744 -1.217 -1.992 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.426 -0.572 -2.608 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.718 -2.193 -2.085 1.00 0.00 C ATOM 865 CH2 TRP A 48 4.044 -1.866 -2.391 1.00 0.00 C ATOM 0 H TRP A 48 -1.566 3.420 -2.372 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.255 1.581 -4.062 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.209 2.474 -1.359 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.433 0.737 -1.298 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.079 3.382 -2.556 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.393 2.281 -2.909 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.723 -1.479 -1.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.450 -0.322 -2.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.451 -3.226 -1.919 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.781 -2.653 -2.457 1.00 0.00 H new ATOM 876 N PHE A 49 -2.848 0.336 -2.413 1.00 0.00 N ATOM 877 CA PHE A 49 -3.812 -0.758 -2.455 1.00 0.00 C ATOM 878 C PHE A 49 -4.612 -0.714 -3.754 1.00 0.00 C ATOM 879 O PHE A 49 -5.163 -1.720 -4.184 1.00 0.00 O ATOM 880 CB PHE A 49 -4.776 -0.699 -1.266 1.00 0.00 C ATOM 881 CG PHE A 49 -4.121 -0.856 0.082 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.822 -1.329 0.201 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.817 -0.529 1.236 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.235 -1.470 1.446 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.235 -0.668 2.478 1.00 0.00 C ATOM 886 CZ PHE A 49 -2.943 -1.139 2.584 1.00 0.00 C ATOM 0 H PHE A 49 -2.995 1.005 -1.657 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.250 -1.690 -2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.304 0.255 -1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.526 -1.481 -1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.264 -1.589 -0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.829 -0.160 1.161 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.223 -1.839 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.790 -0.408 3.367 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.486 -1.249 3.556 1.00 0.00 H new ATOM 896 N ILE A 50 -4.677 0.458 -4.378 1.00 0.00 N ATOM 897 CA ILE A 50 -5.413 0.598 -5.626 1.00 0.00 C ATOM 898 C ILE A 50 -4.759 -0.245 -6.721 1.00 0.00 C ATOM 899 O ILE A 50 -5.421 -1.049 -7.378 1.00 0.00 O ATOM 900 CB ILE A 50 -5.504 2.082 -6.069 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.773 2.721 -5.497 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.485 2.214 -7.588 1.00 0.00 C ATOM 903 CD1 ILE A 50 -8.052 2.153 -6.074 1.00 0.00 C ATOM 0 H ILE A 50 -4.234 1.314 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.429 0.239 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.630 2.604 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.781 2.586 -4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.745 3.794 -5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.550 3.267 -7.863 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.558 1.794 -7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.333 1.676 -8.011 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.909 2.653 -5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.066 2.311 -7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.103 1.085 -5.863 1.00 0.00 H new ATOM 915 N ASN A 51 -3.456 -0.064 -6.903 1.00 0.00 N ATOM 916 CA ASN A 51 -2.713 -0.811 -7.912 1.00 0.00 C ATOM 917 C ASN A 51 -2.374 -2.215 -7.416 1.00 0.00 C ATOM 918 O ASN A 51 -2.350 -3.169 -8.195 1.00 0.00 O ATOM 919 CB ASN A 51 -1.428 -0.068 -8.284 1.00 0.00 C ATOM 920 CG ASN A 51 -1.676 1.397 -8.584 1.00 0.00 C ATOM 921 OD1 ASN A 51 -1.449 2.263 -7.738 1.00 0.00 O ATOM 922 ND2 ASN A 51 -2.143 1.683 -9.793 1.00 0.00 N ATOM 0 H ASN A 51 -2.892 0.594 -6.365 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.344 -0.900 -8.796 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.712 -0.153 -7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.975 -0.543 -9.154 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.328 2.652 -10.052 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.317 0.934 -10.463 1.00 0.00 H new ATOM 929 N LYS A 52 -2.113 -2.336 -6.118 1.00 0.00 N ATOM 930 CA LYS A 52 -1.774 -3.625 -5.522 1.00 0.00 C ATOM 931 C LYS A 52 -3.026 -4.457 -5.262 1.00 0.00 C ATOM 932 O LYS A 52 -2.968 -5.687 -5.225 1.00 0.00 O ATOM 933 CB LYS A 52 -1.006 -3.420 -4.212 1.00 0.00 C ATOM 934 CG LYS A 52 0.506 -3.426 -4.377 1.00 0.00 C ATOM 935 CD LYS A 52 0.961 -2.502 -5.494 1.00 0.00 C ATOM 936 CE LYS A 52 2.478 -2.369 -5.527 1.00 0.00 C ATOM 937 NZ LYS A 52 3.042 -2.769 -6.845 1.00 0.00 N ATOM 0 H LYS A 52 -2.130 -1.558 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.143 -4.164 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.310 -2.472 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.288 -4.205 -3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.974 -3.121 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.844 -4.441 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.608 -2.886 -6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.512 -1.518 -5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.757 -1.338 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.914 -2.988 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.077 -2.664 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.798 -3.761 -7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.646 -2.162 -7.591 1.00 0.00 H new ATOM 951 N ARG A 53 -4.154 -3.781 -5.073 1.00 0.00 N ATOM 952 CA ARG A 53 -5.416 -4.463 -4.807 1.00 0.00 C ATOM 953 C ARG A 53 -6.549 -3.908 -5.664 1.00 0.00 C ATOM 954 O ARG A 53 -7.691 -3.836 -5.213 1.00 0.00 O ATOM 955 CB ARG A 53 -5.797 -4.336 -3.330 1.00 0.00 C ATOM 956 CG ARG A 53 -6.993 -5.198 -2.950 1.00 0.00 C ATOM 957 CD ARG A 53 -8.074 -4.382 -2.257 1.00 0.00 C ATOM 958 NE ARG A 53 -7.529 -3.533 -1.200 1.00 0.00 N ATOM 959 CZ ARG A 53 -8.148 -2.455 -0.722 1.00 0.00 C ATOM 960 NH1 ARG A 53 -9.330 -2.088 -1.205 1.00 0.00 N ATOM 961 NH2 ARG A 53 -7.583 -1.742 0.242 1.00 0.00 N ATOM 0 H ARG A 53 -4.221 -2.764 -5.099 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.270 -5.513 -5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.943 -4.617 -2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.022 -3.293 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.406 -5.664 -3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.667 -6.004 -2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.586 -3.761 -2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.820 -5.055 -1.833 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.622 -3.780 -0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.769 -2.633 -1.947 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.798 -1.261 -0.834 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.676 -2.019 0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.056 -0.916 0.609 1.00 0.00 H new ATOM 975 N MET A 54 -6.240 -3.521 -6.898 1.00 0.00 N ATOM 976 CA MET A 54 -7.255 -2.984 -7.801 1.00 0.00 C ATOM 977 C MET A 54 -8.421 -3.958 -7.944 1.00 0.00 C ATOM 978 O MET A 54 -8.459 -4.764 -8.874 1.00 0.00 O ATOM 979 CB MET A 54 -6.647 -2.691 -9.175 1.00 0.00 C ATOM 980 CG MET A 54 -7.172 -1.414 -9.812 1.00 0.00 C ATOM 981 SD MET A 54 -7.179 -1.489 -11.613 1.00 0.00 S ATOM 982 CE MET A 54 -5.496 -2.008 -11.937 1.00 0.00 C ATOM 0 H MET A 54 -5.301 -3.568 -7.295 1.00 0.00 H new ATOM 0 HA MET A 54 -7.630 -2.053 -7.375 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.564 -2.619 -9.076 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.852 -3.530 -9.840 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.185 -1.225 -9.456 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.558 -0.573 -9.490 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.261 -1.845 -12.989 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.811 -1.428 -11.319 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.390 -3.067 -11.701 1.00 0.00 H new