USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 402 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 25 TYR OH : rot 178:sc= 0.38 USER MOD Set 1.2: A 29 ASN : amide:sc= -0.851 K(o=-0.47,f=-1.1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -1.77! X(o=-1.8!,f=-1.3) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -142:sc= -0.0822 (180deg=-1.62!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 93:sc= 1.2 USER MOD Single : A 30 HIS : no HD1:sc= -0.614 K(o=-0.61,f=-0.0095) USER MOD Single : A 31 ASN : amide:sc= -0.0713 K(o=-0.071,f=-2.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0652 K(o=-0.065,f=-1.4) USER MOD Single : A 42 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -60:sc= 0.0642 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.649 K(o=-0.65,f=-1.8!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.243 -1.124 -0.931 1.00 0.00 N ATOM 179 CA PHE A 14 -11.943 -1.796 0.328 1.00 0.00 C ATOM 180 C PHE A 14 -12.651 -1.111 1.492 1.00 0.00 C ATOM 181 O PHE A 14 -13.218 -0.030 1.340 1.00 0.00 O ATOM 182 CB PHE A 14 -10.432 -1.814 0.573 1.00 0.00 C ATOM 183 CG PHE A 14 -9.670 -2.621 -0.439 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.878 -3.986 -0.555 1.00 0.00 C ATOM 185 CD2 PHE A 14 -8.746 -2.014 -1.274 1.00 0.00 C ATOM 186 CE1 PHE A 14 -9.177 -4.731 -1.485 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.043 -2.754 -2.206 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.259 -4.114 -2.311 1.00 0.00 C ATOM 0 HA PHE A 14 -12.305 -2.822 0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.059 -0.790 0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.238 -2.216 1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.596 -4.473 0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.573 -0.951 -1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.347 -5.794 -1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.326 -2.269 -2.851 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.710 -4.694 -3.038 1.00 0.00 H new ATOM 198 N LYS A 15 -12.613 -1.750 2.658 1.00 0.00 N ATOM 199 CA LYS A 15 -13.250 -1.204 3.850 1.00 0.00 C ATOM 200 C LYS A 15 -12.316 -0.236 4.570 1.00 0.00 C ATOM 201 O LYS A 15 -11.124 -0.169 4.271 1.00 0.00 O ATOM 202 CB LYS A 15 -13.660 -2.333 4.797 1.00 0.00 C ATOM 203 CG LYS A 15 -14.547 -3.380 4.147 1.00 0.00 C ATOM 204 CD LYS A 15 -15.931 -2.829 3.845 1.00 0.00 C ATOM 205 CE LYS A 15 -16.665 -3.692 2.829 1.00 0.00 C ATOM 206 NZ LYS A 15 -17.402 -4.809 3.480 1.00 0.00 N ATOM 0 H LYS A 15 -12.148 -2.646 2.802 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.141 -0.659 3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.762 -2.817 5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.183 -1.906 5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.084 -3.728 3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.634 -4.244 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.512 -2.776 4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.844 -1.811 3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.365 -3.074 2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.950 -4.097 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.889 -5.373 2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.731 -5.413 3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.102 -4.422 4.145 1.00 0.00 H new ATOM 220 N HIS A 16 -12.866 0.512 5.523 1.00 0.00 N ATOM 221 CA HIS A 16 -12.081 1.474 6.288 1.00 0.00 C ATOM 222 C HIS A 16 -11.415 0.803 7.485 1.00 0.00 C ATOM 223 O HIS A 16 -10.485 1.350 8.078 1.00 0.00 O ATOM 224 CB HIS A 16 -12.968 2.625 6.763 1.00 0.00 C ATOM 225 CG HIS A 16 -13.439 3.515 5.653 1.00 0.00 C ATOM 226 ND1 HIS A 16 -12.589 4.068 4.719 1.00 0.00 N ATOM 227 CD2 HIS A 16 -14.682 3.946 5.331 1.00 0.00 C ATOM 228 CE1 HIS A 16 -13.288 4.801 3.871 1.00 0.00 C ATOM 229 NE2 HIS A 16 -14.559 4.744 4.220 1.00 0.00 N ATOM 0 H HIS A 16 -13.851 0.470 5.783 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.302 1.870 5.636 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.835 2.215 7.282 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.416 3.223 7.488 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.598 3.707 5.851 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.887 5.353 3.034 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.326 5.216 3.742 1.00 0.00 H new ATOM 238 N HIS A 17 -11.897 -0.384 7.836 1.00 0.00 N ATOM 239 CA HIS A 17 -11.349 -1.131 8.962 1.00 0.00 C ATOM 240 C HIS A 17 -10.053 -1.835 8.569 1.00 0.00 C ATOM 241 O HIS A 17 -8.977 -1.495 9.059 1.00 0.00 O ATOM 242 CB HIS A 17 -12.366 -2.154 9.469 1.00 0.00 C ATOM 243 CG HIS A 17 -13.694 -1.556 9.815 1.00 0.00 C ATOM 244 ND1 HIS A 17 -14.020 -1.129 11.086 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.784 -1.313 9.049 1.00 0.00 C ATOM 246 CE1 HIS A 17 -15.251 -0.651 11.085 1.00 0.00 C ATOM 247 NE2 HIS A 17 -15.737 -0.751 9.861 1.00 0.00 N ATOM 0 H HIS A 17 -12.667 -0.850 7.356 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.129 -0.423 9.761 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.509 -2.920 8.707 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.960 -2.652 10.350 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.885 -1.523 7.994 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.772 -0.247 11.940 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.669 -0.458 9.567 1.00 0.00 H new ATOM 256 N GLN A 18 -10.167 -2.819 7.683 1.00 0.00 N ATOM 257 CA GLN A 18 -9.005 -3.572 7.225 1.00 0.00 C ATOM 258 C GLN A 18 -7.895 -2.634 6.762 1.00 0.00 C ATOM 259 O GLN A 18 -6.746 -2.759 7.184 1.00 0.00 O ATOM 260 CB GLN A 18 -9.399 -4.515 6.087 1.00 0.00 C ATOM 261 CG GLN A 18 -10.555 -4.003 5.244 1.00 0.00 C ATOM 262 CD GLN A 18 -10.483 -4.476 3.805 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.226 -5.367 3.394 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.585 -3.879 3.030 1.00 0.00 N ATOM 0 H GLN A 18 -11.051 -3.113 7.268 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.632 -4.160 8.063 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.534 -4.675 5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.668 -5.484 6.507 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.495 -4.334 5.685 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.560 -2.913 5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.989 -3.145 3.412 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.491 -4.155 2.052 1.00 0.00 H new ATOM 273 N LEU A 19 -8.248 -1.692 5.893 1.00 0.00 N ATOM 274 CA LEU A 19 -7.281 -0.732 5.373 1.00 0.00 C ATOM 275 C LEU A 19 -6.540 -0.036 6.510 1.00 0.00 C ATOM 276 O LEU A 19 -5.315 0.086 6.482 1.00 0.00 O ATOM 277 CB LEU A 19 -7.986 0.305 4.497 1.00 0.00 C ATOM 278 CG LEU A 19 -8.099 -0.037 3.010 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.984 0.972 2.296 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.721 -0.089 2.368 1.00 0.00 C ATOM 0 H LEU A 19 -9.195 -1.573 5.534 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.553 -1.275 4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.990 0.461 4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.455 1.252 4.592 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.558 -1.021 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.053 0.713 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.980 0.959 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.555 1.969 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.821 -0.334 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.235 0.881 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.118 -0.852 2.861 1.00 0.00 H new ATOM 292 N ARG A 20 -7.291 0.418 7.508 1.00 0.00 N ATOM 293 CA ARG A 20 -6.704 1.101 8.654 1.00 0.00 C ATOM 294 C ARG A 20 -5.441 0.387 9.126 1.00 0.00 C ATOM 295 O ARG A 20 -4.474 1.024 9.546 1.00 0.00 O ATOM 296 CB ARG A 20 -7.716 1.181 9.800 1.00 0.00 C ATOM 297 CG ARG A 20 -7.423 2.292 10.795 1.00 0.00 C ATOM 298 CD ARG A 20 -7.815 3.653 10.241 1.00 0.00 C ATOM 299 NE ARG A 20 -9.262 3.847 10.236 1.00 0.00 N ATOM 300 CZ ARG A 20 -9.952 4.257 11.295 1.00 0.00 C ATOM 301 NH1 ARG A 20 -9.330 4.516 12.436 1.00 0.00 N ATOM 302 NH2 ARG A 20 -11.267 4.409 11.212 1.00 0.00 N ATOM 0 H ARG A 20 -8.306 0.325 7.546 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.435 2.111 8.344 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.712 1.331 9.384 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.731 0.227 10.327 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.966 2.105 11.721 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.361 2.290 11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.347 4.436 10.838 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.432 3.755 9.225 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.771 3.658 9.373 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.319 4.401 12.503 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.862 4.831 13.247 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.749 4.211 10.335 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.796 4.724 12.025 1.00 0.00 H new ATOM 316 N THR A 21 -5.456 -0.941 9.055 1.00 0.00 N ATOM 317 CA THR A 21 -4.314 -1.742 9.475 1.00 0.00 C ATOM 318 C THR A 21 -3.186 -1.671 8.452 1.00 0.00 C ATOM 319 O THR A 21 -2.014 -1.580 8.813 1.00 0.00 O ATOM 320 CB THR A 21 -4.709 -3.216 9.685 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.583 -3.333 10.813 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.476 -4.081 9.901 1.00 0.00 C ATOM 0 H THR A 21 -6.248 -1.484 8.710 1.00 0.00 H new ATOM 0 HA THR A 21 -3.968 -1.327 10.422 1.00 0.00 H new ATOM 0 HB THR A 21 -5.224 -3.562 8.789 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.831 -4.273 10.939 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.780 -5.118 10.047 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.826 -4.013 9.028 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.937 -3.733 10.782 1.00 0.00 H new ATOM 330 N MET A 22 -3.549 -1.712 7.174 1.00 0.00 N ATOM 331 CA MET A 22 -2.566 -1.651 6.099 1.00 0.00 C ATOM 332 C MET A 22 -1.943 -0.260 6.011 1.00 0.00 C ATOM 333 O MET A 22 -0.740 -0.094 6.215 1.00 0.00 O ATOM 334 CB MET A 22 -3.216 -2.016 4.762 1.00 0.00 C ATOM 335 CG MET A 22 -3.535 -3.495 4.627 1.00 0.00 C ATOM 336 SD MET A 22 -3.516 -4.056 2.913 1.00 0.00 S ATOM 337 CE MET A 22 -5.155 -3.570 2.379 1.00 0.00 C ATOM 0 H MET A 22 -4.516 -1.787 6.858 1.00 0.00 H new ATOM 0 HA MET A 22 -1.778 -2.371 6.320 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.135 -1.442 4.645 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.551 -1.720 3.951 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.812 -4.073 5.202 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.516 -3.692 5.059 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.562 -4.332 1.715 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.804 -3.462 3.248 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.098 -2.620 1.848 1.00 0.00 H new ATOM 347 N LYS A 23 -2.768 0.735 5.707 1.00 0.00 N ATOM 348 CA LYS A 23 -2.299 2.111 5.592 1.00 0.00 C ATOM 349 C LYS A 23 -1.262 2.422 6.667 1.00 0.00 C ATOM 350 O LYS A 23 -0.141 2.829 6.362 1.00 0.00 O ATOM 351 CB LYS A 23 -3.475 3.083 5.705 1.00 0.00 C ATOM 352 CG LYS A 23 -4.398 3.063 4.500 1.00 0.00 C ATOM 353 CD LYS A 23 -5.734 3.720 4.809 1.00 0.00 C ATOM 354 CE LYS A 23 -6.404 4.241 3.547 1.00 0.00 C ATOM 355 NZ LYS A 23 -5.959 5.622 3.212 1.00 0.00 N ATOM 0 H LYS A 23 -3.766 0.615 5.535 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.831 2.230 4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.051 2.840 6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.089 4.093 5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.921 3.580 3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.563 2.033 4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.390 3.001 5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.583 4.542 5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.178 3.575 2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.486 4.230 3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.438 5.941 2.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.197 6.263 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.930 5.628 3.060 1.00 0.00 H new ATOM 369 N SER A 24 -1.644 2.228 7.925 1.00 0.00 N ATOM 370 CA SER A 24 -0.748 2.492 9.045 1.00 0.00 C ATOM 371 C SER A 24 0.603 1.819 8.830 1.00 0.00 C ATOM 372 O SER A 24 1.647 2.371 9.175 1.00 0.00 O ATOM 373 CB SER A 24 -1.373 2.000 10.352 1.00 0.00 C ATOM 374 OG SER A 24 -2.647 2.585 10.561 1.00 0.00 O ATOM 0 H SER A 24 -2.568 1.889 8.194 1.00 0.00 H new ATOM 0 HA SER A 24 -0.592 3.569 9.107 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.468 0.914 10.327 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.716 2.244 11.187 1.00 0.00 H new ATOM 0 HG SER A 24 -3.341 1.998 10.195 1.00 0.00 H new ATOM 380 N TYR A 25 0.575 0.621 8.256 1.00 0.00 N ATOM 381 CA TYR A 25 1.798 -0.131 7.995 1.00 0.00 C ATOM 382 C TYR A 25 2.643 0.557 6.928 1.00 0.00 C ATOM 383 O TYR A 25 3.859 0.683 7.067 1.00 0.00 O ATOM 384 CB TYR A 25 1.461 -1.557 7.556 1.00 0.00 C ATOM 385 CG TYR A 25 2.665 -2.468 7.482 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.499 -2.459 6.371 1.00 0.00 C ATOM 387 CD2 TYR A 25 2.969 -3.336 8.523 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.600 -3.291 6.298 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.070 -4.170 8.459 1.00 0.00 C ATOM 390 CZ TYR A 25 4.881 -4.144 7.344 1.00 0.00 C ATOM 391 OH TYR A 25 5.978 -4.972 7.276 1.00 0.00 O ATOM 0 H TYR A 25 -0.281 0.150 7.963 1.00 0.00 H new ATOM 0 HA TYR A 25 2.375 -0.170 8.919 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.737 -1.981 8.252 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.981 -1.523 6.578 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.283 -1.791 5.551 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.335 -3.360 9.397 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.237 -3.273 5.426 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.294 -4.838 9.278 1.00 0.00 H new ATOM 0 HH TYR A 25 6.052 -5.485 8.107 1.00 0.00 H new ATOM 401 N PHE A 26 1.988 1.000 5.859 1.00 0.00 N ATOM 402 CA PHE A 26 2.678 1.674 4.765 1.00 0.00 C ATOM 403 C PHE A 26 3.702 2.670 5.301 1.00 0.00 C ATOM 404 O PHE A 26 4.762 2.866 4.707 1.00 0.00 O ATOM 405 CB PHE A 26 1.670 2.395 3.866 1.00 0.00 C ATOM 406 CG PHE A 26 2.295 3.040 2.663 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.981 2.279 1.731 1.00 0.00 C ATOM 408 CD2 PHE A 26 2.196 4.408 2.464 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.556 2.869 0.621 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.769 5.004 1.357 1.00 0.00 C ATOM 411 CZ PHE A 26 3.452 4.234 0.435 1.00 0.00 C ATOM 0 H PHE A 26 0.981 0.904 5.727 1.00 0.00 H new ATOM 0 HA PHE A 26 3.203 0.920 4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.915 1.682 3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.154 3.157 4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.068 1.212 1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.665 5.015 3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.086 2.264 -0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.683 6.071 1.212 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.904 4.698 -0.429 1.00 0.00 H new ATOM 421 N ALA A 27 3.376 3.298 6.426 1.00 0.00 N ATOM 422 CA ALA A 27 4.268 4.273 7.042 1.00 0.00 C ATOM 423 C ALA A 27 5.429 3.583 7.751 1.00 0.00 C ATOM 424 O ALA A 27 6.553 4.087 7.756 1.00 0.00 O ATOM 425 CB ALA A 27 3.497 5.150 8.018 1.00 0.00 C ATOM 0 H ALA A 27 2.501 3.149 6.929 1.00 0.00 H new ATOM 0 HA ALA A 27 4.680 4.902 6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.175 5.873 8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.706 5.678 7.486 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.057 4.528 8.797 1.00 0.00 H new ATOM 431 N ILE A 28 5.150 2.430 8.349 1.00 0.00 N ATOM 432 CA ILE A 28 6.171 1.672 9.060 1.00 0.00 C ATOM 433 C ILE A 28 7.156 1.030 8.089 1.00 0.00 C ATOM 434 O ILE A 28 8.369 1.185 8.225 1.00 0.00 O ATOM 435 CB ILE A 28 5.547 0.574 9.941 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.523 1.182 10.902 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.630 -0.167 10.712 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.567 0.165 11.488 1.00 0.00 C ATOM 0 H ILE A 28 4.225 2.000 8.355 1.00 0.00 H new ATOM 0 HA ILE A 28 6.701 2.380 9.697 1.00 0.00 H new ATOM 0 HB ILE A 28 5.034 -0.140 9.297 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.051 1.683 11.714 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.951 1.946 10.375 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.173 -0.940 11.330 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.326 -0.628 10.010 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.169 0.535 11.349 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.870 0.666 12.160 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.012 -0.319 10.684 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.130 -0.586 12.043 1.00 0.00 H new ATOM 450 N ASN A 29 6.625 0.310 7.106 1.00 0.00 N ATOM 451 CA ASN A 29 7.458 -0.355 6.110 1.00 0.00 C ATOM 452 C ASN A 29 6.817 -0.277 4.727 1.00 0.00 C ATOM 453 O ASN A 29 5.617 -0.507 4.573 1.00 0.00 O ATOM 454 CB ASN A 29 7.684 -1.817 6.498 1.00 0.00 C ATOM 455 CG ASN A 29 8.788 -2.467 5.686 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.700 -1.792 5.207 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.710 -3.783 5.529 1.00 0.00 N ATOM 0 H ASN A 29 5.623 0.172 6.978 1.00 0.00 H new ATOM 0 HA ASN A 29 8.420 0.157 6.075 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.934 -1.874 7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.758 -2.374 6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.424 -4.276 4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.936 -4.301 5.944 1.00 0.00 H new ATOM 464 N HIS A 30 7.626 0.048 3.723 1.00 0.00 N ATOM 465 CA HIS A 30 7.139 0.155 2.353 1.00 0.00 C ATOM 466 C HIS A 30 7.230 -1.190 1.638 1.00 0.00 C ATOM 467 O HIS A 30 6.303 -1.596 0.939 1.00 0.00 O ATOM 468 CB HIS A 30 7.938 1.209 1.586 1.00 0.00 C ATOM 469 CG HIS A 30 7.754 2.599 2.112 1.00 0.00 C ATOM 470 ND1 HIS A 30 8.786 3.508 2.214 1.00 0.00 N ATOM 471 CD2 HIS A 30 6.648 3.236 2.563 1.00 0.00 C ATOM 472 CE1 HIS A 30 8.324 4.642 2.708 1.00 0.00 C ATOM 473 NE2 HIS A 30 7.028 4.504 2.927 1.00 0.00 N ATOM 0 H HIS A 30 8.621 0.242 3.833 1.00 0.00 H new ATOM 0 HA HIS A 30 6.093 0.458 2.388 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.996 0.951 1.626 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.643 1.184 0.537 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.652 2.823 2.625 1.00 0.00 H new ATOM 0 HE1 HIS A 30 8.906 5.531 2.900 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.411 5.223 3.305 1.00 0.00 H new ATOM 482 N ASN A 31 8.355 -1.875 1.817 1.00 0.00 N ATOM 483 CA ASN A 31 8.568 -3.174 1.188 1.00 0.00 C ATOM 484 C ASN A 31 8.486 -4.297 2.217 1.00 0.00 C ATOM 485 O ASN A 31 9.499 -4.801 2.704 1.00 0.00 O ATOM 486 CB ASN A 31 9.928 -3.206 0.487 1.00 0.00 C ATOM 487 CG ASN A 31 9.868 -2.641 -0.918 1.00 0.00 C ATOM 488 OD1 ASN A 31 8.955 -2.950 -1.685 1.00 0.00 O ATOM 489 ND2 ASN A 31 10.843 -1.807 -1.264 1.00 0.00 N ATOM 0 H ASN A 31 9.133 -1.552 2.392 1.00 0.00 H new ATOM 0 HA ASN A 31 7.782 -3.326 0.449 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.649 -2.637 1.074 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.289 -4.234 0.447 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.855 -1.395 -2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.580 -1.579 -0.596 1.00 0.00 H new ATOM 496 N PRO A 32 7.252 -4.700 2.556 1.00 0.00 N ATOM 497 CA PRO A 32 7.009 -5.769 3.529 1.00 0.00 C ATOM 498 C PRO A 32 7.418 -7.140 3.000 1.00 0.00 C ATOM 499 O PRO A 32 7.241 -7.437 1.818 1.00 0.00 O ATOM 500 CB PRO A 32 5.494 -5.710 3.748 1.00 0.00 C ATOM 501 CG PRO A 32 4.954 -5.110 2.496 1.00 0.00 C ATOM 502 CD PRO A 32 6.001 -4.144 2.014 1.00 0.00 C ATOM 0 HA PRO A 32 7.592 -5.631 4.440 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.080 -6.703 3.922 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.243 -5.103 4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.758 -5.878 1.748 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.009 -4.600 2.684 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.025 -4.087 0.926 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.817 -3.135 2.382 1.00 0.00 H new ATOM 510 N ASP A 33 7.964 -7.970 3.881 1.00 0.00 N ATOM 511 CA ASP A 33 8.396 -9.311 3.502 1.00 0.00 C ATOM 512 C ASP A 33 7.229 -10.291 3.549 1.00 0.00 C ATOM 513 O ASP A 33 6.143 -9.958 4.023 1.00 0.00 O ATOM 514 CB ASP A 33 9.517 -9.787 4.427 1.00 0.00 C ATOM 515 CG ASP A 33 10.829 -9.076 4.161 1.00 0.00 C ATOM 516 OD1 ASP A 33 11.278 -9.074 2.996 1.00 0.00 O ATOM 517 OD2 ASP A 33 11.407 -8.519 5.118 1.00 0.00 O ATOM 0 H ASP A 33 8.118 -7.739 4.862 1.00 0.00 H new ATOM 0 HA ASP A 33 8.771 -9.271 2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.222 -9.624 5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.657 -10.861 4.301 1.00 0.00 H new ATOM 522 N ALA A 34 7.461 -11.502 3.053 1.00 0.00 N ATOM 523 CA ALA A 34 6.429 -12.532 3.039 1.00 0.00 C ATOM 524 C ALA A 34 5.689 -12.586 4.372 1.00 0.00 C ATOM 525 O ALA A 34 4.476 -12.380 4.428 1.00 0.00 O ATOM 526 CB ALA A 34 7.041 -13.888 2.719 1.00 0.00 C ATOM 0 H ALA A 34 8.354 -11.794 2.656 1.00 0.00 H new ATOM 0 HA ALA A 34 5.708 -12.278 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.259 -14.647 2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.519 -13.850 1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.784 -14.139 3.476 1.00 0.00 H new ATOM 532 N LYS A 35 6.426 -12.864 5.441 1.00 0.00 N ATOM 533 CA LYS A 35 5.840 -12.945 6.775 1.00 0.00 C ATOM 534 C LYS A 35 4.807 -11.842 6.982 1.00 0.00 C ATOM 535 O LYS A 35 3.667 -12.108 7.364 1.00 0.00 O ATOM 536 CB LYS A 35 6.932 -12.843 7.841 1.00 0.00 C ATOM 537 CG LYS A 35 6.392 -12.751 9.258 1.00 0.00 C ATOM 538 CD LYS A 35 5.810 -14.076 9.718 1.00 0.00 C ATOM 539 CE LYS A 35 6.892 -15.014 10.231 1.00 0.00 C ATOM 540 NZ LYS A 35 7.240 -14.735 11.652 1.00 0.00 N ATOM 0 H LYS A 35 7.431 -13.037 5.411 1.00 0.00 H new ATOM 0 HA LYS A 35 5.340 -13.909 6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.584 -13.713 7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.546 -11.966 7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.192 -12.449 9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.624 -11.979 9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.078 -13.899 10.506 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.280 -14.548 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.553 -16.046 10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.784 -14.913 9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.981 -15.395 11.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.587 -13.759 11.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.395 -14.856 12.247 1.00 0.00 H new ATOM 554 N ASP A 36 5.212 -10.602 6.728 1.00 0.00 N ATOM 555 CA ASP A 36 4.320 -9.459 6.884 1.00 0.00 C ATOM 556 C ASP A 36 3.098 -9.595 5.983 1.00 0.00 C ATOM 557 O ASP A 36 1.972 -9.322 6.401 1.00 0.00 O ATOM 558 CB ASP A 36 5.063 -8.160 6.565 1.00 0.00 C ATOM 559 CG ASP A 36 6.131 -7.836 7.591 1.00 0.00 C ATOM 560 OD1 ASP A 36 5.790 -7.245 8.636 1.00 0.00 O ATOM 561 OD2 ASP A 36 7.309 -8.173 7.347 1.00 0.00 O ATOM 0 H ASP A 36 6.152 -10.363 6.413 1.00 0.00 H new ATOM 0 HA ASP A 36 3.982 -9.431 7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.522 -8.240 5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.348 -7.338 6.517 1.00 0.00 H new ATOM 566 N LEU A 37 3.326 -10.019 4.745 1.00 0.00 N ATOM 567 CA LEU A 37 2.243 -10.190 3.783 1.00 0.00 C ATOM 568 C LEU A 37 1.229 -11.216 4.282 1.00 0.00 C ATOM 569 O LEU A 37 0.031 -10.937 4.350 1.00 0.00 O ATOM 570 CB LEU A 37 2.803 -10.628 2.428 1.00 0.00 C ATOM 571 CG LEU A 37 3.209 -9.505 1.475 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.934 -10.069 0.262 1.00 0.00 C ATOM 573 CD2 LEU A 37 1.989 -8.704 1.044 1.00 0.00 C ATOM 0 H LEU A 37 4.251 -10.251 4.384 1.00 0.00 H new ATOM 0 HA LEU A 37 1.737 -9.231 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.673 -11.260 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.055 -11.246 1.931 1.00 0.00 H new ATOM 0 HG LEU A 37 3.890 -8.837 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.215 -9.254 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.830 -10.598 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.277 -10.760 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.297 -7.908 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.283 -9.361 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.512 -8.268 1.921 1.00 0.00 H new ATOM 585 N LYS A 38 1.717 -12.400 4.633 1.00 0.00 N ATOM 586 CA LYS A 38 0.855 -13.466 5.129 1.00 0.00 C ATOM 587 C LYS A 38 0.215 -13.074 6.457 1.00 0.00 C ATOM 588 O LYS A 38 -0.918 -13.457 6.746 1.00 0.00 O ATOM 589 CB LYS A 38 1.656 -14.760 5.299 1.00 0.00 C ATOM 590 CG LYS A 38 2.795 -14.643 6.297 1.00 0.00 C ATOM 591 CD LYS A 38 3.243 -16.007 6.794 1.00 0.00 C ATOM 592 CE LYS A 38 3.898 -16.817 5.686 1.00 0.00 C ATOM 593 NZ LYS A 38 5.347 -16.497 5.549 1.00 0.00 N ATOM 0 H LYS A 38 2.706 -12.646 4.583 1.00 0.00 H new ATOM 0 HA LYS A 38 0.063 -13.629 4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.983 -15.555 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.061 -15.057 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.637 -14.130 5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.478 -14.033 7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.945 -15.882 7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.385 -16.552 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.779 -17.880 5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.391 -16.618 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.758 -17.069 4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.460 -15.488 5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.836 -16.711 6.442 1.00 0.00 H new ATOM 607 N GLN A 39 0.947 -12.307 7.259 1.00 0.00 N ATOM 608 CA GLN A 39 0.449 -11.863 8.554 1.00 0.00 C ATOM 609 C GLN A 39 -0.692 -10.865 8.386 1.00 0.00 C ATOM 610 O GLN A 39 -1.695 -10.928 9.099 1.00 0.00 O ATOM 611 CB GLN A 39 1.579 -11.231 9.369 1.00 0.00 C ATOM 612 CG GLN A 39 2.435 -12.244 10.111 1.00 0.00 C ATOM 613 CD GLN A 39 1.844 -12.641 11.449 1.00 0.00 C ATOM 614 OE1 GLN A 39 0.734 -12.238 11.794 1.00 0.00 O ATOM 615 NE2 GLN A 39 2.585 -13.438 12.211 1.00 0.00 N ATOM 0 H GLN A 39 1.887 -11.981 7.034 1.00 0.00 H new ATOM 0 HA GLN A 39 0.069 -12.735 9.087 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.215 -10.650 8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.150 -10.534 10.089 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.555 -13.134 9.493 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.430 -11.828 10.267 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.500 -13.748 11.885 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.239 -13.740 13.122 1.00 0.00 H new ATOM 624 N LEU A 40 -0.533 -9.946 7.441 1.00 0.00 N ATOM 625 CA LEU A 40 -1.550 -8.934 7.180 1.00 0.00 C ATOM 626 C LEU A 40 -2.833 -9.573 6.657 1.00 0.00 C ATOM 627 O LEU A 40 -3.925 -9.279 7.138 1.00 0.00 O ATOM 628 CB LEU A 40 -1.030 -7.908 6.171 1.00 0.00 C ATOM 629 CG LEU A 40 -0.077 -6.848 6.722 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.704 -6.193 5.594 1.00 0.00 C ATOM 631 CD2 LEU A 40 -0.844 -5.803 7.519 1.00 0.00 C ATOM 0 H LEU A 40 0.290 -9.881 6.843 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.774 -8.429 8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.522 -8.443 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.886 -7.402 5.724 1.00 0.00 H new ATOM 0 HG LEU A 40 0.632 -7.337 7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.377 -5.441 6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.285 -6.950 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.011 -5.718 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.149 -5.056 7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.576 -5.318 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.357 -6.285 8.352 1.00 0.00 H new ATOM 643 N ALA A 41 -2.690 -10.452 5.669 1.00 0.00 N ATOM 644 CA ALA A 41 -3.836 -11.136 5.084 1.00 0.00 C ATOM 645 C ALA A 41 -4.834 -11.552 6.159 1.00 0.00 C ATOM 646 O ALA A 41 -6.025 -11.704 5.887 1.00 0.00 O ATOM 647 CB ALA A 41 -3.377 -12.349 4.289 1.00 0.00 C ATOM 0 H ALA A 41 -1.792 -10.706 5.258 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.337 -10.442 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.243 -12.850 3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.708 -12.029 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.850 -13.038 4.949 1.00 0.00 H new ATOM 653 N GLN A 42 -4.340 -11.737 7.379 1.00 0.00 N ATOM 654 CA GLN A 42 -5.190 -12.137 8.495 1.00 0.00 C ATOM 655 C GLN A 42 -5.773 -10.917 9.200 1.00 0.00 C ATOM 656 O GLN A 42 -6.975 -10.852 9.460 1.00 0.00 O ATOM 657 CB GLN A 42 -4.397 -12.986 9.489 1.00 0.00 C ATOM 658 CG GLN A 42 -4.096 -14.389 8.988 1.00 0.00 C ATOM 659 CD GLN A 42 -5.205 -15.372 9.309 1.00 0.00 C ATOM 660 OE1 GLN A 42 -5.925 -15.826 8.419 1.00 0.00 O ATOM 661 NE2 GLN A 42 -5.348 -15.707 10.586 1.00 0.00 N ATOM 0 H GLN A 42 -3.356 -11.616 7.620 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.013 -12.731 8.097 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.458 -12.481 9.717 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.956 -13.055 10.422 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.941 -14.361 7.909 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.165 -14.738 9.434 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.729 -15.306 11.291 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.077 -16.365 10.862 1.00 0.00 H new ATOM 670 N LYS A 43 -4.913 -9.952 9.509 1.00 0.00 N ATOM 671 CA LYS A 43 -5.343 -8.733 10.184 1.00 0.00 C ATOM 672 C LYS A 43 -6.439 -8.028 9.392 1.00 0.00 C ATOM 673 O LYS A 43 -7.278 -7.328 9.958 1.00 0.00 O ATOM 674 CB LYS A 43 -4.153 -7.789 10.381 1.00 0.00 C ATOM 675 CG LYS A 43 -3.144 -8.287 11.402 1.00 0.00 C ATOM 676 CD LYS A 43 -2.278 -7.155 11.928 1.00 0.00 C ATOM 677 CE LYS A 43 -0.905 -7.654 12.350 1.00 0.00 C ATOM 678 NZ LYS A 43 -0.048 -6.550 12.864 1.00 0.00 N ATOM 0 H LYS A 43 -3.915 -9.991 9.303 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.746 -9.010 11.158 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.650 -7.648 9.424 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.523 -6.813 10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.668 -8.761 12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.511 -9.049 10.948 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.168 -6.392 11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.771 -6.682 12.777 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.017 -8.416 13.121 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.414 -8.129 11.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.879 -6.931 13.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.080 -5.835 12.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.504 -6.113 13.690 1.00 0.00 H new ATOM 692 N THR A 44 -6.425 -8.218 8.075 1.00 0.00 N ATOM 693 CA THR A 44 -7.418 -7.601 7.205 1.00 0.00 C ATOM 694 C THR A 44 -8.413 -8.632 6.687 1.00 0.00 C ATOM 695 O THR A 44 -9.581 -8.323 6.457 1.00 0.00 O ATOM 696 CB THR A 44 -6.754 -6.897 6.005 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.131 -7.866 5.154 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.719 -5.888 6.476 1.00 0.00 C ATOM 0 H THR A 44 -5.737 -8.794 7.589 1.00 0.00 H new ATOM 0 HA THR A 44 -7.946 -6.860 7.805 1.00 0.00 H new ATOM 0 HB THR A 44 -7.527 -6.367 5.448 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.444 -8.350 5.658 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.264 -5.404 5.612 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.202 -5.136 7.101 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.949 -6.399 7.053 1.00 0.00 H new ATOM 706 N GLY A 45 -7.942 -9.864 6.505 1.00 0.00 N ATOM 707 CA GLY A 45 -8.804 -10.923 6.016 1.00 0.00 C ATOM 708 C GLY A 45 -8.634 -11.169 4.530 1.00 0.00 C ATOM 709 O GLY A 45 -9.087 -12.187 4.006 1.00 0.00 O ATOM 0 H GLY A 45 -6.979 -10.146 6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.589 -11.843 6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.843 -10.666 6.222 1.00 0.00 H new ATOM 713 N LEU A 46 -7.981 -10.234 3.848 1.00 0.00 N ATOM 714 CA LEU A 46 -7.753 -10.353 2.412 1.00 0.00 C ATOM 715 C LEU A 46 -6.727 -11.441 2.112 1.00 0.00 C ATOM 716 O LEU A 46 -6.191 -12.074 3.022 1.00 0.00 O ATOM 717 CB LEU A 46 -7.281 -9.017 1.837 1.00 0.00 C ATOM 718 CG LEU A 46 -8.129 -7.796 2.194 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.326 -6.517 2.018 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.392 -7.756 1.345 1.00 0.00 C ATOM 0 H LEU A 46 -7.600 -9.385 4.266 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.696 -10.630 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.261 -8.838 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.244 -9.104 0.751 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.421 -7.875 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.947 -5.659 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.453 -6.543 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.002 -6.431 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.983 -6.880 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.120 -7.702 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.978 -8.658 1.522 1.00 0.00 H new ATOM 732 N THR A 47 -6.453 -11.651 0.828 1.00 0.00 N ATOM 733 CA THR A 47 -5.490 -12.660 0.407 1.00 0.00 C ATOM 734 C THR A 47 -4.134 -12.032 0.104 1.00 0.00 C ATOM 735 O THR A 47 -4.051 -10.873 -0.303 1.00 0.00 O ATOM 736 CB THR A 47 -5.980 -13.421 -0.840 1.00 0.00 C ATOM 737 OG1 THR A 47 -5.061 -14.468 -1.168 1.00 0.00 O ATOM 738 CG2 THR A 47 -6.128 -12.478 -2.025 1.00 0.00 C ATOM 0 H THR A 47 -6.885 -11.135 0.062 1.00 0.00 H new ATOM 0 HA THR A 47 -5.387 -13.362 1.234 1.00 0.00 H new ATOM 0 HB THR A 47 -6.955 -13.853 -0.615 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.381 -14.948 -1.961 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.475 -13.037 -2.894 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.851 -11.699 -1.782 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.164 -12.021 -2.249 1.00 0.00 H new ATOM 746 N LYS A 48 -3.071 -12.805 0.304 1.00 0.00 N ATOM 747 CA LYS A 48 -1.718 -12.326 0.050 1.00 0.00 C ATOM 748 C LYS A 48 -1.665 -11.494 -1.227 1.00 0.00 C ATOM 749 O LYS A 48 -1.156 -10.373 -1.227 1.00 0.00 O ATOM 750 CB LYS A 48 -0.750 -13.507 -0.057 1.00 0.00 C ATOM 751 CG LYS A 48 0.713 -13.103 0.016 1.00 0.00 C ATOM 752 CD LYS A 48 1.589 -14.260 0.467 1.00 0.00 C ATOM 753 CE LYS A 48 3.036 -14.062 0.038 1.00 0.00 C ATOM 754 NZ LYS A 48 3.812 -15.332 0.105 1.00 0.00 N ATOM 0 H LYS A 48 -3.121 -13.766 0.641 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.420 -11.693 0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.963 -14.215 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.928 -14.028 -0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.044 -12.754 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.827 -12.268 0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.539 -14.354 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.208 -15.191 0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.063 -13.673 -0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.506 -13.315 0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.792 -15.156 -0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.807 -15.691 1.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.379 -16.037 -0.525 1.00 0.00 H new ATOM 768 N ARG A 49 -2.195 -12.049 -2.312 1.00 0.00 N ATOM 769 CA ARG A 49 -2.209 -11.357 -3.595 1.00 0.00 C ATOM 770 C ARG A 49 -2.831 -9.970 -3.458 1.00 0.00 C ATOM 771 O ARG A 49 -2.171 -8.956 -3.688 1.00 0.00 O ATOM 772 CB ARG A 49 -2.982 -12.174 -4.631 1.00 0.00 C ATOM 773 CG ARG A 49 -3.043 -11.520 -6.001 1.00 0.00 C ATOM 774 CD ARG A 49 -1.848 -11.911 -6.858 1.00 0.00 C ATOM 775 NE ARG A 49 -1.885 -11.273 -8.172 1.00 0.00 N ATOM 776 CZ ARG A 49 -2.728 -11.625 -9.136 1.00 0.00 C ATOM 777 NH1 ARG A 49 -3.600 -12.604 -8.934 1.00 0.00 N ATOM 778 NH2 ARG A 49 -2.701 -10.997 -10.304 1.00 0.00 N ATOM 0 H ARG A 49 -2.620 -12.976 -2.328 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.178 -11.243 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.518 -13.156 -4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.998 -12.336 -4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.965 -11.812 -6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.072 -10.436 -5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.927 -11.632 -6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.829 -12.994 -6.981 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.228 -10.516 -8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.624 -13.088 -8.037 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.246 -12.872 -9.676 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.032 -10.243 -10.462 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.349 -11.268 -11.044 1.00 0.00 H new ATOM 792 N VAL A 50 -4.105 -9.933 -3.083 1.00 0.00 N ATOM 793 CA VAL A 50 -4.817 -8.671 -2.914 1.00 0.00 C ATOM 794 C VAL A 50 -3.954 -7.647 -2.185 1.00 0.00 C ATOM 795 O VAL A 50 -3.976 -6.458 -2.506 1.00 0.00 O ATOM 796 CB VAL A 50 -6.131 -8.867 -2.136 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.675 -7.529 -1.661 1.00 0.00 C ATOM 798 CG2 VAL A 50 -7.155 -9.593 -2.995 1.00 0.00 C ATOM 0 H VAL A 50 -4.666 -10.763 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.048 -8.302 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.925 -9.481 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.604 -7.688 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.945 -7.051 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.866 -6.888 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.078 -9.723 -2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.358 -9.007 -3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.764 -10.569 -3.280 1.00 0.00 H new ATOM 808 N LEU A 51 -3.194 -8.116 -1.200 1.00 0.00 N ATOM 809 CA LEU A 51 -2.323 -7.241 -0.424 1.00 0.00 C ATOM 810 C LEU A 51 -1.109 -6.814 -1.245 1.00 0.00 C ATOM 811 O LEU A 51 -0.740 -5.640 -1.258 1.00 0.00 O ATOM 812 CB LEU A 51 -1.866 -7.947 0.854 1.00 0.00 C ATOM 813 CG LEU A 51 -2.976 -8.416 1.794 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.503 -9.592 2.635 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.440 -7.274 2.686 1.00 0.00 C ATOM 0 H LEU A 51 -3.164 -9.097 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.890 -6.349 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.266 -8.812 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.212 -7.271 1.405 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.821 -8.744 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.307 -9.912 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.222 -10.417 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.641 -9.291 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.230 -7.628 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.601 -6.914 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.821 -6.461 2.068 1.00 0.00 H new ATOM 827 N GLN A 52 -0.495 -7.775 -1.928 1.00 0.00 N ATOM 828 CA GLN A 52 0.675 -7.498 -2.751 1.00 0.00 C ATOM 829 C GLN A 52 0.414 -6.326 -3.692 1.00 0.00 C ATOM 830 O GLN A 52 1.154 -5.343 -3.698 1.00 0.00 O ATOM 831 CB GLN A 52 1.064 -8.739 -3.557 1.00 0.00 C ATOM 832 CG GLN A 52 1.840 -9.768 -2.752 1.00 0.00 C ATOM 833 CD GLN A 52 2.764 -10.606 -3.614 1.00 0.00 C ATOM 834 OE1 GLN A 52 2.802 -10.453 -4.834 1.00 0.00 O ATOM 835 NE2 GLN A 52 3.516 -11.499 -2.981 1.00 0.00 N ATOM 0 H GLN A 52 -0.789 -8.752 -1.927 1.00 0.00 H new ATOM 0 HA GLN A 52 1.499 -7.231 -2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.160 -9.204 -3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.664 -8.432 -4.414 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.426 -9.259 -1.987 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.139 -10.423 -2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.452 -11.592 -1.967 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.157 -12.091 -3.509 1.00 0.00 H new ATOM 844 N VAL A 53 -0.646 -6.439 -4.488 1.00 0.00 N ATOM 845 CA VAL A 53 -1.006 -5.389 -5.433 1.00 0.00 C ATOM 846 C VAL A 53 -1.224 -4.059 -4.722 1.00 0.00 C ATOM 847 O VAL A 53 -0.499 -3.091 -4.957 1.00 0.00 O ATOM 848 CB VAL A 53 -2.281 -5.754 -6.218 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.654 -4.636 -7.179 1.00 0.00 C ATOM 850 CG2 VAL A 53 -2.091 -7.067 -6.962 1.00 0.00 C ATOM 0 H VAL A 53 -1.269 -7.246 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.173 -5.292 -6.130 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.100 -5.880 -5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.557 -4.911 -7.725 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.835 -3.719 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.839 -4.475 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.001 -7.309 -7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.260 -6.972 -7.661 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.875 -7.862 -6.248 1.00 0.00 H new ATOM 860 N TRP A 54 -2.225 -4.019 -3.850 1.00 0.00 N ATOM 861 CA TRP A 54 -2.538 -2.805 -3.102 1.00 0.00 C ATOM 862 C TRP A 54 -1.264 -2.074 -2.693 1.00 0.00 C ATOM 863 O TRP A 54 -1.050 -0.921 -3.071 1.00 0.00 O ATOM 864 CB TRP A 54 -3.365 -3.146 -1.862 1.00 0.00 C ATOM 865 CG TRP A 54 -3.784 -1.939 -1.077 1.00 0.00 C ATOM 866 CD1 TRP A 54 -4.959 -1.255 -1.192 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.027 -1.276 -0.058 1.00 0.00 C ATOM 868 NE1 TRP A 54 -4.979 -0.204 -0.306 1.00 0.00 N ATOM 869 CE2 TRP A 54 -3.807 -0.196 0.401 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.769 -1.489 0.511 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.366 0.666 1.402 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.334 -0.633 1.504 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.130 0.434 1.942 1.00 0.00 C ATOM 0 H TRP A 54 -2.833 -4.811 -3.643 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.119 -2.148 -3.749 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.254 -3.698 -2.167 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.785 -3.806 -1.217 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.756 -1.503 -1.878 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.743 0.462 -0.194 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.148 -2.308 0.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.978 1.489 1.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.363 -0.789 1.951 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.761 1.086 2.720 1.00 0.00 H new ATOM 884 N PHE A 55 -0.420 -2.750 -1.921 1.00 0.00 N ATOM 885 CA PHE A 55 0.833 -2.164 -1.460 1.00 0.00 C ATOM 886 C PHE A 55 1.643 -1.621 -2.633 1.00 0.00 C ATOM 887 O PHE A 55 2.200 -0.526 -2.562 1.00 0.00 O ATOM 888 CB PHE A 55 1.655 -3.202 -0.695 1.00 0.00 C ATOM 889 CG PHE A 55 1.368 -3.227 0.779 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.311 -3.969 1.280 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.154 -2.507 1.664 1.00 0.00 C ATOM 892 CE1 PHE A 55 0.043 -3.995 2.636 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.891 -2.529 3.021 1.00 0.00 C ATOM 894 CZ PHE A 55 0.834 -3.273 3.507 1.00 0.00 C ATOM 0 H PHE A 55 -0.581 -3.705 -1.601 1.00 0.00 H new ATOM 0 HA PHE A 55 0.594 -1.336 -0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.457 -4.189 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.715 -2.998 -0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.312 -4.534 0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.981 -1.922 1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.784 -4.579 3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.512 -1.965 3.701 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.627 -3.290 4.567 1.00 0.00 H new ATOM 904 N GLN A 56 1.702 -2.395 -3.712 1.00 0.00 N ATOM 905 CA GLN A 56 2.444 -1.993 -4.901 1.00 0.00 C ATOM 906 C GLN A 56 1.861 -0.718 -5.502 1.00 0.00 C ATOM 907 O GLN A 56 2.596 0.168 -5.937 1.00 0.00 O ATOM 908 CB GLN A 56 2.429 -3.114 -5.942 1.00 0.00 C ATOM 909 CG GLN A 56 3.493 -4.174 -5.708 1.00 0.00 C ATOM 910 CD GLN A 56 3.750 -5.023 -6.937 1.00 0.00 C ATOM 911 OE1 GLN A 56 4.830 -4.972 -7.527 1.00 0.00 O ATOM 912 NE2 GLN A 56 2.757 -5.813 -7.331 1.00 0.00 N ATOM 0 H GLN A 56 1.245 -3.304 -3.787 1.00 0.00 H new ATOM 0 HA GLN A 56 3.474 -1.796 -4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.448 -3.589 -5.939 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.570 -2.681 -6.932 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.422 -3.691 -5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.184 -4.818 -4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.878 -5.825 -6.813 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.873 -6.408 -8.151 1.00 0.00 H new ATOM 921 N ASN A 57 0.534 -0.632 -5.522 1.00 0.00 N ATOM 922 CA ASN A 57 -0.147 0.535 -6.071 1.00 0.00 C ATOM 923 C ASN A 57 0.071 1.758 -5.187 1.00 0.00 C ATOM 924 O ASN A 57 0.112 2.888 -5.673 1.00 0.00 O ATOM 925 CB ASN A 57 -1.645 0.255 -6.213 1.00 0.00 C ATOM 926 CG ASN A 57 -1.996 -0.351 -7.558 1.00 0.00 C ATOM 927 OD1 ASN A 57 -1.286 -0.154 -8.544 1.00 0.00 O ATOM 928 ND2 ASN A 57 -3.095 -1.095 -7.602 1.00 0.00 N ATOM 0 H ASN A 57 -0.090 -1.356 -5.165 1.00 0.00 H new ATOM 0 HA ASN A 57 0.273 0.741 -7.055 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.962 -0.421 -5.419 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.199 1.184 -6.081 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.381 -1.531 -8.479 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.653 -1.231 -6.759 1.00 0.00 H new ATOM 935 N ALA A 58 0.214 1.525 -3.887 1.00 0.00 N ATOM 936 CA ALA A 58 0.432 2.607 -2.935 1.00 0.00 C ATOM 937 C ALA A 58 1.617 3.472 -3.350 1.00 0.00 C ATOM 938 O ALA A 58 1.466 4.666 -3.608 1.00 0.00 O ATOM 939 CB ALA A 58 0.649 2.046 -1.538 1.00 0.00 C ATOM 0 H ALA A 58 0.183 0.595 -3.468 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.458 3.236 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.811 2.866 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.229 1.477 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.522 1.393 -1.540 1.00 0.00 H new ATOM 945 N ARG A 59 2.797 2.862 -3.410 1.00 0.00 N ATOM 946 CA ARG A 59 4.009 3.578 -3.792 1.00 0.00 C ATOM 947 C ARG A 59 3.740 4.512 -4.966 1.00 0.00 C ATOM 948 O ARG A 59 4.202 5.653 -4.982 1.00 0.00 O ATOM 949 CB ARG A 59 5.117 2.588 -4.155 1.00 0.00 C ATOM 950 CG ARG A 59 5.518 1.674 -3.009 1.00 0.00 C ATOM 951 CD ARG A 59 6.728 0.826 -3.369 1.00 0.00 C ATOM 952 NE ARG A 59 6.397 -0.218 -4.335 1.00 0.00 N ATOM 953 CZ ARG A 59 7.234 -1.190 -4.683 1.00 0.00 C ATOM 954 NH1 ARG A 59 8.445 -1.250 -4.145 1.00 0.00 N ATOM 955 NH2 ARG A 59 6.861 -2.103 -5.569 1.00 0.00 N ATOM 0 H ARG A 59 2.939 1.874 -3.199 1.00 0.00 H new ATOM 0 HA ARG A 59 4.332 4.178 -2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.786 1.978 -4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.993 3.143 -4.489 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.742 2.273 -2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.682 1.025 -2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.509 1.465 -3.780 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.132 0.369 -2.466 1.00 0.00 H new ATOM 0 HE ARG A 59 5.473 -0.200 -4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.735 -0.549 -3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.086 -1.997 -4.413 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.931 -2.060 -5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.505 -2.848 -5.835 1.00 0.00 H new