USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 292 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 32 LYS NZ :NH3+ 166:sc= -1.49! (180deg=-2.35!) USER MOD Set 1.2: A 53 TYR OH : rot 30:sc= 0.423 USER MOD Single : A 19 THR OG1 : rot 170:sc= -0.844 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.749 K(o=0.75,f=-0.24) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= -0.125 (180deg=-0.623) USER MOD Single : A 52 ASN : amide:sc=-0.00347 K(o=-0.0035,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.378 -6.407 -3.385 1.00 0.00 N ATOM 224 CA LEU A 17 9.143 -7.623 -4.159 1.00 0.00 C ATOM 225 C LEU A 17 7.722 -7.650 -4.710 1.00 0.00 C ATOM 226 O LEU A 17 6.783 -8.039 -4.016 1.00 0.00 O ATOM 227 CB LEU A 17 9.390 -8.859 -3.292 1.00 0.00 C ATOM 228 CG LEU A 17 9.719 -10.149 -4.043 1.00 0.00 C ATOM 229 CD1 LEU A 17 8.701 -10.399 -5.146 1.00 0.00 C ATOM 230 CD2 LEU A 17 11.127 -10.090 -4.618 1.00 0.00 C ATOM 0 HA LEU A 17 9.839 -7.631 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.210 -8.641 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.504 -9.033 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 17 9.672 -10.978 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.951 -11.322 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.706 -10.488 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.715 -9.567 -5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.342 -11.017 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.203 -9.250 -5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.845 -9.960 -3.809 1.00 0.00 H new ATOM 242 N ALA A 18 7.571 -7.235 -5.964 1.00 0.00 N ATOM 243 CA ALA A 18 6.264 -7.216 -6.610 1.00 0.00 C ATOM 244 C ALA A 18 6.404 -7.155 -8.128 1.00 0.00 C ATOM 245 O ALA A 18 7.072 -6.272 -8.666 1.00 0.00 O ATOM 246 CB ALA A 18 5.443 -6.040 -6.105 1.00 0.00 C ATOM 0 H ALA A 18 8.337 -6.908 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 18 5.746 -8.141 -6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.470 -6.038 -6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.306 -6.128 -5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.964 -5.109 -6.329 1.00 0.00 H new ATOM 252 N THR A 19 5.768 -8.100 -8.814 1.00 0.00 N ATOM 253 CA THR A 19 5.823 -8.154 -10.269 1.00 0.00 C ATOM 254 C THR A 19 5.632 -6.770 -10.878 1.00 0.00 C ATOM 255 O THR A 19 5.125 -5.848 -10.239 1.00 0.00 O ATOM 256 CB THR A 19 4.751 -9.104 -10.837 1.00 0.00 C ATOM 257 OG1 THR A 19 3.617 -9.142 -9.962 1.00 0.00 O ATOM 258 CG2 THR A 19 5.309 -10.508 -11.011 1.00 0.00 C ATOM 0 H THR A 19 5.209 -8.838 -8.385 1.00 0.00 H new ATOM 0 HA THR A 19 6.810 -8.532 -10.534 1.00 0.00 H new ATOM 0 HB THR A 19 4.445 -8.728 -11.813 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.880 -9.615 -10.402 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.534 -11.160 -11.413 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.154 -10.481 -11.699 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.640 -10.890 -10.045 1.00 0.00 H new ATOM 266 N PRO A 20 6.046 -6.618 -12.146 1.00 0.00 N ATOM 267 CA PRO A 20 5.930 -5.348 -12.870 1.00 0.00 C ATOM 268 C PRO A 20 4.483 -4.999 -13.198 1.00 0.00 C ATOM 269 O PRO A 20 4.112 -3.826 -13.243 1.00 0.00 O ATOM 270 CB PRO A 20 6.725 -5.599 -14.153 1.00 0.00 C ATOM 271 CG PRO A 20 6.675 -7.075 -14.348 1.00 0.00 C ATOM 272 CD PRO A 20 6.660 -7.673 -12.968 1.00 0.00 C ATOM 0 HA PRO A 20 6.298 -4.507 -12.282 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.285 -5.073 -15.000 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.752 -5.247 -14.057 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.787 -7.365 -14.909 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.538 -7.423 -14.915 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.080 -8.596 -12.936 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.665 -7.916 -12.624 1.00 0.00 H new ATOM 280 N ALA A 21 3.668 -6.024 -13.426 1.00 0.00 N ATOM 281 CA ALA A 21 2.261 -5.824 -13.748 1.00 0.00 C ATOM 282 C ALA A 21 1.488 -5.312 -12.537 1.00 0.00 C ATOM 283 O ALA A 21 0.496 -4.596 -12.678 1.00 0.00 O ATOM 284 CB ALA A 21 1.647 -7.119 -14.258 1.00 0.00 C ATOM 0 H ALA A 21 3.959 -7.001 -13.394 1.00 0.00 H new ATOM 0 HA ALA A 21 2.197 -5.070 -14.533 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.596 -6.955 -14.495 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.175 -7.443 -15.155 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.730 -7.888 -13.490 1.00 0.00 H new ATOM 290 N VAL A 22 1.949 -5.683 -11.346 1.00 0.00 N ATOM 291 CA VAL A 22 1.300 -5.260 -10.111 1.00 0.00 C ATOM 292 C VAL A 22 1.834 -3.910 -9.645 1.00 0.00 C ATOM 293 O VAL A 22 1.097 -3.102 -9.079 1.00 0.00 O ATOM 294 CB VAL A 22 1.504 -6.295 -8.987 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.975 -5.761 -7.666 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.832 -7.611 -9.348 1.00 0.00 C ATOM 0 H VAL A 22 2.769 -6.275 -11.211 1.00 0.00 H new ATOM 0 HA VAL A 22 0.235 -5.173 -10.326 1.00 0.00 H new ATOM 0 HB VAL A 22 2.573 -6.478 -8.874 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.128 -6.506 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.507 -4.846 -7.404 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.090 -5.547 -7.760 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.986 -8.331 -8.544 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.236 -7.447 -9.489 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.264 -7.999 -10.270 1.00 0.00 H new ATOM 306 N ARG A 23 3.118 -3.672 -9.886 1.00 0.00 N ATOM 307 CA ARG A 23 3.751 -2.419 -9.491 1.00 0.00 C ATOM 308 C ARG A 23 3.039 -1.228 -10.125 1.00 0.00 C ATOM 309 O ARG A 23 3.028 -0.130 -9.567 1.00 0.00 O ATOM 310 CB ARG A 23 5.227 -2.419 -9.894 1.00 0.00 C ATOM 311 CG ARG A 23 6.114 -3.221 -8.956 1.00 0.00 C ATOM 312 CD ARG A 23 7.519 -3.379 -9.517 1.00 0.00 C ATOM 313 NE ARG A 23 8.312 -2.163 -9.356 1.00 0.00 N ATOM 314 CZ ARG A 23 9.640 -2.150 -9.333 1.00 0.00 C ATOM 315 NH1 ARG A 23 10.320 -3.280 -9.461 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.290 -1.003 -9.182 1.00 0.00 N ATOM 0 H ARG A 23 3.741 -4.330 -10.353 1.00 0.00 H new ATOM 0 HA ARG A 23 3.678 -2.329 -8.407 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.320 -2.823 -10.902 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.586 -1.390 -9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.162 -2.726 -7.986 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.675 -4.205 -8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.019 -4.207 -9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.460 -3.636 -10.575 1.00 0.00 H new ATOM 0 HE ARG A 23 7.819 -1.276 -9.256 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.824 -4.163 -9.578 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.340 -3.266 -9.443 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.770 -0.131 -9.084 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.310 -0.993 -9.164 1.00 0.00 H new ATOM 330 N ARG A 24 2.447 -1.451 -11.293 1.00 0.00 N ATOM 331 CA ARG A 24 1.735 -0.396 -12.003 1.00 0.00 C ATOM 332 C ARG A 24 0.362 -0.154 -11.383 1.00 0.00 C ATOM 333 O ARG A 24 -0.112 0.982 -11.321 1.00 0.00 O ATOM 334 CB ARG A 24 1.582 -0.759 -13.481 1.00 0.00 C ATOM 335 CG ARG A 24 0.376 -0.116 -14.145 1.00 0.00 C ATOM 336 CD ARG A 24 0.621 0.133 -15.626 1.00 0.00 C ATOM 337 NE ARG A 24 -0.615 0.434 -16.342 1.00 0.00 N ATOM 338 CZ ARG A 24 -0.707 0.467 -17.668 1.00 0.00 C ATOM 339 NH1 ARG A 24 0.359 0.218 -18.416 1.00 0.00 N ATOM 340 NH2 ARG A 24 -1.867 0.749 -18.246 1.00 0.00 N ATOM 0 H ARG A 24 2.446 -2.354 -11.768 1.00 0.00 H new ATOM 0 HA ARG A 24 2.319 0.521 -11.920 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.483 -0.458 -14.015 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.503 -1.842 -13.574 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.495 -0.760 -14.023 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.147 0.827 -13.650 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.319 0.962 -15.744 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.091 -0.745 -16.068 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.454 0.630 -15.795 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.252 0.000 -17.974 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.286 0.244 -19.433 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.689 0.941 -17.673 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.937 0.774 -19.263 1.00 0.00 H new ATOM 354 N LEU A 25 -0.273 -1.227 -10.926 1.00 0.00 N ATOM 355 CA LEU A 25 -1.592 -1.133 -10.311 1.00 0.00 C ATOM 356 C LEU A 25 -1.594 -0.107 -9.182 1.00 0.00 C ATOM 357 O LEU A 25 -2.637 0.448 -8.836 1.00 0.00 O ATOM 358 CB LEU A 25 -2.026 -2.498 -9.776 1.00 0.00 C ATOM 359 CG LEU A 25 -3.532 -2.766 -9.761 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.107 -2.662 -11.165 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.825 -4.134 -9.163 1.00 0.00 C ATOM 0 H LEU A 25 0.105 -2.173 -10.970 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.299 -0.808 -11.074 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.546 -3.271 -10.377 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.648 -2.604 -8.759 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.009 -2.010 -9.138 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.179 -2.856 -11.134 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.930 -1.661 -11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.624 -3.395 -11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.901 -4.307 -9.161 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.335 -4.904 -9.759 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.449 -4.172 -8.141 1.00 0.00 H new ATOM 373 N ALA A 26 -0.419 0.140 -8.612 1.00 0.00 N ATOM 374 CA ALA A 26 -0.284 1.102 -7.525 1.00 0.00 C ATOM 375 C ALA A 26 -0.148 2.522 -8.063 1.00 0.00 C ATOM 376 O ALA A 26 -0.904 3.415 -7.683 1.00 0.00 O ATOM 377 CB ALA A 26 0.910 0.747 -6.652 1.00 0.00 C ATOM 0 H ALA A 26 0.453 -0.313 -8.885 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.188 1.058 -6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.999 1.474 -5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.770 -0.248 -6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.818 0.761 -7.254 1.00 0.00 H new ATOM 383 N MET A 27 0.823 2.724 -8.948 1.00 0.00 N ATOM 384 CA MET A 27 1.058 4.036 -9.538 1.00 0.00 C ATOM 385 C MET A 27 -0.224 4.597 -10.145 1.00 0.00 C ATOM 386 O MET A 27 -0.408 5.812 -10.214 1.00 0.00 O ATOM 387 CB MET A 27 2.148 3.950 -10.608 1.00 0.00 C ATOM 388 CG MET A 27 1.611 3.656 -11.999 1.00 0.00 C ATOM 389 SD MET A 27 2.918 3.281 -13.184 1.00 0.00 S ATOM 390 CE MET A 27 2.525 4.435 -14.497 1.00 0.00 C ATOM 0 H MET A 27 1.459 1.996 -9.272 1.00 0.00 H new ATOM 0 HA MET A 27 1.388 4.709 -8.746 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.698 4.891 -10.631 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.859 3.172 -10.330 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.921 2.814 -11.947 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.041 4.515 -12.353 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.247 4.325 -15.306 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.523 4.230 -14.874 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.566 5.453 -14.111 1.00 0.00 H new ATOM 400 N GLU A 28 -1.107 3.705 -10.582 1.00 0.00 N ATOM 401 CA GLU A 28 -2.370 4.112 -11.183 1.00 0.00 C ATOM 402 C GLU A 28 -3.391 4.479 -10.111 1.00 0.00 C ATOM 403 O GLU A 28 -4.185 5.403 -10.283 1.00 0.00 O ATOM 404 CB GLU A 28 -2.924 2.994 -12.069 1.00 0.00 C ATOM 405 CG GLU A 28 -2.191 2.845 -13.392 1.00 0.00 C ATOM 406 CD GLU A 28 -2.600 3.896 -14.406 1.00 0.00 C ATOM 407 OE1 GLU A 28 -3.817 4.072 -14.620 1.00 0.00 O ATOM 408 OE2 GLU A 28 -1.703 4.544 -14.984 1.00 0.00 O ATOM 0 H GLU A 28 -0.970 2.696 -10.531 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.182 4.993 -11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.870 2.051 -11.525 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.978 3.188 -12.267 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.117 2.912 -13.218 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.386 1.854 -13.802 1.00 0.00 H new ATOM 415 N ASN A 29 -3.364 3.746 -9.001 1.00 0.00 N ATOM 416 CA ASN A 29 -4.287 3.993 -7.900 1.00 0.00 C ATOM 417 C ASN A 29 -3.602 4.770 -6.780 1.00 0.00 C ATOM 418 O ASN A 29 -4.103 4.833 -5.658 1.00 0.00 O ATOM 419 CB ASN A 29 -4.831 2.669 -7.358 1.00 0.00 C ATOM 420 CG ASN A 29 -5.848 2.038 -8.289 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.991 2.487 -8.376 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.434 0.990 -8.992 1.00 0.00 N ATOM 0 H ASN A 29 -2.713 2.977 -8.841 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.115 4.591 -8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.004 1.976 -7.204 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.290 2.839 -6.384 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.073 0.523 -9.636 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.477 0.652 -8.888 1.00 0.00 H new ATOM 429 N ASN A 30 -2.454 5.361 -7.094 1.00 0.00 N ATOM 430 CA ASN A 30 -1.700 6.135 -6.114 1.00 0.00 C ATOM 431 C ASN A 30 -1.506 5.341 -4.826 1.00 0.00 C ATOM 432 O ASN A 30 -1.690 5.866 -3.727 1.00 0.00 O ATOM 433 CB ASN A 30 -2.418 7.451 -5.811 1.00 0.00 C ATOM 434 CG ASN A 30 -1.457 8.554 -5.405 1.00 0.00 C ATOM 435 OD1 ASN A 30 -0.643 9.009 -6.208 1.00 0.00 O ATOM 436 ND2 ASN A 30 -1.550 8.986 -4.154 1.00 0.00 N ATOM 0 H ASN A 30 -2.025 5.319 -8.019 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.719 6.353 -6.537 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.979 7.767 -6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.142 7.291 -5.012 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.931 9.726 -3.822 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.241 8.579 -3.524 1.00 0.00 H new ATOM 443 N ILE A 31 -1.133 4.074 -4.969 1.00 0.00 N ATOM 444 CA ILE A 31 -0.913 3.208 -3.818 1.00 0.00 C ATOM 445 C ILE A 31 0.576 3.037 -3.535 1.00 0.00 C ATOM 446 O ILE A 31 1.391 2.973 -4.457 1.00 0.00 O ATOM 447 CB ILE A 31 -1.546 1.820 -4.027 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.053 1.953 -4.259 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.267 0.923 -2.829 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.735 0.639 -4.565 1.00 0.00 C ATOM 0 H ILE A 31 -0.977 3.624 -5.871 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.390 3.691 -2.965 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.099 1.363 -4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.511 2.393 -3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.226 2.644 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.721 -0.054 -2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.190 0.807 -2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.689 1.374 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.801 0.809 -4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.303 0.207 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.593 -0.048 -3.730 1.00 0.00 H new ATOM 462 N LYS A 32 0.926 2.962 -2.255 1.00 0.00 N ATOM 463 CA LYS A 32 2.316 2.794 -1.850 1.00 0.00 C ATOM 464 C LYS A 32 2.639 1.323 -1.610 1.00 0.00 C ATOM 465 O LYS A 32 2.433 0.803 -0.513 1.00 0.00 O ATOM 466 CB LYS A 32 2.600 3.604 -0.582 1.00 0.00 C ATOM 467 CG LYS A 32 2.644 5.103 -0.815 1.00 0.00 C ATOM 468 CD LYS A 32 1.250 5.712 -0.800 1.00 0.00 C ATOM 469 CE LYS A 32 0.848 6.148 0.600 1.00 0.00 C ATOM 470 NZ LYS A 32 0.167 5.054 1.347 1.00 0.00 N ATOM 0 H LYS A 32 0.265 3.015 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 32 2.951 3.159 -2.657 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.833 3.383 0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.553 3.282 -0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.256 5.574 -0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.122 5.309 -1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.219 6.569 -1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.530 4.985 -1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.734 6.467 1.150 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.185 7.011 0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.121 5.299 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.797 4.929 0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.701 4.169 1.230 1.00 0.00 H new ATOM 484 N LEU A 33 3.149 0.658 -2.641 1.00 0.00 N ATOM 485 CA LEU A 33 3.503 -0.754 -2.541 1.00 0.00 C ATOM 486 C LEU A 33 4.018 -1.089 -1.145 1.00 0.00 C ATOM 487 O LEU A 33 3.450 -1.929 -0.448 1.00 0.00 O ATOM 488 CB LEU A 33 4.561 -1.109 -3.586 1.00 0.00 C ATOM 489 CG LEU A 33 4.035 -1.605 -4.934 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.163 -2.198 -5.762 1.00 0.00 C ATOM 491 CD2 LEU A 33 2.926 -2.626 -4.730 1.00 0.00 C ATOM 0 H LEU A 33 3.327 1.074 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 33 2.605 -1.343 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.179 -0.228 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.212 -1.877 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 33 3.623 -0.754 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.769 -2.545 -6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.924 -1.438 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.606 -3.037 -5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.564 -2.968 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.313 -3.475 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.106 -2.167 -4.177 1.00 0.00 H new ATOM 503 N SER A 34 5.096 -0.424 -0.742 1.00 0.00 N ATOM 504 CA SER A 34 5.689 -0.652 0.570 1.00 0.00 C ATOM 505 C SER A 34 4.611 -0.722 1.649 1.00 0.00 C ATOM 506 O SER A 34 4.634 -1.604 2.506 1.00 0.00 O ATOM 507 CB SER A 34 6.686 0.459 0.903 1.00 0.00 C ATOM 508 OG SER A 34 7.235 0.282 2.198 1.00 0.00 O ATOM 0 H SER A 34 5.577 0.277 -1.306 1.00 0.00 H new ATOM 0 HA SER A 34 6.215 -1.606 0.542 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.487 0.467 0.163 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.189 1.427 0.845 1.00 0.00 H new ATOM 0 HG SER A 34 7.870 1.004 2.386 1.00 0.00 H new ATOM 514 N GLU A 35 3.669 0.214 1.596 1.00 0.00 N ATOM 515 CA GLU A 35 2.583 0.258 2.569 1.00 0.00 C ATOM 516 C GLU A 35 1.631 -0.919 2.375 1.00 0.00 C ATOM 517 O GLU A 35 0.997 -1.381 3.325 1.00 0.00 O ATOM 518 CB GLU A 35 1.814 1.575 2.447 1.00 0.00 C ATOM 519 CG GLU A 35 2.690 2.808 2.589 1.00 0.00 C ATOM 520 CD GLU A 35 3.360 2.894 3.946 1.00 0.00 C ATOM 521 OE1 GLU A 35 2.638 2.921 4.965 1.00 0.00 O ATOM 522 OE2 GLU A 35 4.608 2.934 3.990 1.00 0.00 O ATOM 0 H GLU A 35 3.635 0.951 0.891 1.00 0.00 H new ATOM 0 HA GLU A 35 3.019 0.190 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.313 1.605 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.036 1.603 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.453 2.798 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.084 3.700 2.430 1.00 0.00 H new ATOM 529 N VAL A 36 1.537 -1.400 1.140 1.00 0.00 N ATOM 530 CA VAL A 36 0.664 -2.523 0.822 1.00 0.00 C ATOM 531 C VAL A 36 1.212 -3.826 1.394 1.00 0.00 C ATOM 532 O VAL A 36 2.273 -4.298 0.986 1.00 0.00 O ATOM 533 CB VAL A 36 0.484 -2.681 -0.700 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.435 -3.852 -1.011 1.00 0.00 C ATOM 535 CG2 VAL A 36 -0.054 -1.394 -1.308 1.00 0.00 C ATOM 0 H VAL A 36 2.055 -1.029 0.343 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.304 -2.308 1.276 1.00 0.00 H new ATOM 0 HB VAL A 36 1.458 -2.887 -1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.550 -3.948 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.004 -4.769 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.410 -3.680 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.175 -1.523 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.019 -1.155 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.646 -0.581 -1.117 1.00 0.00 H new ATOM 545 N VAL A 37 0.483 -4.401 2.345 1.00 0.00 N ATOM 546 CA VAL A 37 0.895 -5.651 2.974 1.00 0.00 C ATOM 547 C VAL A 37 0.883 -6.800 1.973 1.00 0.00 C ATOM 548 O VAL A 37 -0.169 -7.362 1.670 1.00 0.00 O ATOM 549 CB VAL A 37 -0.019 -6.009 4.161 1.00 0.00 C ATOM 550 CG1 VAL A 37 0.441 -7.302 4.817 1.00 0.00 C ATOM 551 CG2 VAL A 37 -0.050 -4.871 5.171 1.00 0.00 C ATOM 0 H VAL A 37 -0.396 -4.021 2.697 1.00 0.00 H new ATOM 0 HA VAL A 37 1.911 -5.502 3.339 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.031 -6.160 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.216 -7.539 5.654 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.408 -8.112 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.462 -7.183 5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.700 -5.141 6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.958 -4.687 5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.430 -3.969 4.691 1.00 0.00 H new ATOM 561 N GLY A 38 2.061 -7.145 1.462 1.00 0.00 N ATOM 562 CA GLY A 38 2.165 -8.226 0.500 1.00 0.00 C ATOM 563 C GLY A 38 1.653 -9.544 1.050 1.00 0.00 C ATOM 564 O GLY A 38 1.418 -9.672 2.252 1.00 0.00 O ATOM 0 H GLY A 38 2.945 -6.695 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.601 -7.966 -0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.206 -8.341 0.199 1.00 0.00 H new ATOM 627 N ARG A 44 6.313 -10.867 -0.947 1.00 0.00 N ATOM 628 CA ARG A 44 5.867 -10.530 -2.293 1.00 0.00 C ATOM 629 C ARG A 44 4.480 -9.895 -2.262 1.00 0.00 C ATOM 630 O ARG A 44 3.666 -10.200 -1.390 1.00 0.00 O ATOM 631 CB ARG A 44 5.848 -11.780 -3.175 1.00 0.00 C ATOM 632 CG ARG A 44 5.392 -11.513 -4.600 1.00 0.00 C ATOM 633 CD ARG A 44 3.886 -11.666 -4.740 1.00 0.00 C ATOM 634 NE ARG A 44 3.400 -11.144 -6.015 1.00 0.00 N ATOM 635 CZ ARG A 44 3.657 -11.711 -7.188 1.00 0.00 C ATOM 636 NH1 ARG A 44 4.392 -12.814 -7.248 1.00 0.00 N ATOM 637 NH2 ARG A 44 3.178 -11.177 -8.304 1.00 0.00 N ATOM 0 HA ARG A 44 6.569 -9.809 -2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.848 -12.214 -3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.189 -12.522 -2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.685 -10.505 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.894 -12.202 -5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.619 -12.719 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.391 -11.143 -3.922 1.00 0.00 H new ATOM 0 HE ARG A 44 2.832 -10.297 -6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.761 -13.228 -6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.588 -13.248 -8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.612 -10.330 -8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.376 -11.614 -9.204 1.00 0.00 H new ATOM 651 N ILE A 45 4.218 -9.013 -3.221 1.00 0.00 N ATOM 652 CA ILE A 45 2.929 -8.336 -3.304 1.00 0.00 C ATOM 653 C ILE A 45 2.213 -8.675 -4.607 1.00 0.00 C ATOM 654 O ILE A 45 2.600 -8.211 -5.680 1.00 0.00 O ATOM 655 CB ILE A 45 3.088 -6.808 -3.201 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.013 -6.446 -2.037 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.730 -6.144 -3.032 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.660 -5.087 -2.178 1.00 0.00 C ATOM 0 H ILE A 45 4.880 -8.751 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 45 2.333 -8.688 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 45 3.537 -6.442 -4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.442 -6.473 -1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.792 -7.203 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.859 -5.064 -2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.101 -6.378 -3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.255 -6.513 -2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.301 -4.898 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.258 -5.062 -3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.887 -4.320 -2.230 1.00 0.00 H new ATOM 670 N LEU A 46 1.166 -9.486 -4.506 1.00 0.00 N ATOM 671 CA LEU A 46 0.393 -9.886 -5.677 1.00 0.00 C ATOM 672 C LEU A 46 -0.695 -8.863 -5.987 1.00 0.00 C ATOM 673 O LEU A 46 -1.002 -7.998 -5.166 1.00 0.00 O ATOM 674 CB LEU A 46 -0.236 -11.263 -5.452 1.00 0.00 C ATOM 675 CG LEU A 46 0.724 -12.378 -5.034 1.00 0.00 C ATOM 676 CD1 LEU A 46 0.006 -13.403 -4.171 1.00 0.00 C ATOM 677 CD2 LEU A 46 1.335 -13.043 -6.258 1.00 0.00 C ATOM 0 H LEU A 46 0.833 -9.879 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 46 1.071 -9.938 -6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.006 -11.168 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.736 -11.567 -6.372 1.00 0.00 H new ATOM 0 HG LEU A 46 1.529 -11.937 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.704 -14.189 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.383 -12.917 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.819 -13.839 -4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.015 -13.834 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.543 -13.470 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.885 -12.302 -6.838 1.00 0.00 H new ATOM 689 N LYS A 47 -1.276 -8.968 -7.177 1.00 0.00 N ATOM 690 CA LYS A 47 -2.333 -8.054 -7.597 1.00 0.00 C ATOM 691 C LYS A 47 -3.464 -8.025 -6.574 1.00 0.00 C ATOM 692 O LYS A 47 -4.044 -6.974 -6.307 1.00 0.00 O ATOM 693 CB LYS A 47 -2.878 -8.467 -8.965 1.00 0.00 C ATOM 694 CG LYS A 47 -4.137 -7.718 -9.369 1.00 0.00 C ATOM 695 CD LYS A 47 -4.386 -7.813 -10.865 1.00 0.00 C ATOM 696 CE LYS A 47 -5.839 -7.521 -11.208 1.00 0.00 C ATOM 697 NZ LYS A 47 -6.762 -8.525 -10.610 1.00 0.00 N ATOM 0 H LYS A 47 -1.033 -9.677 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.907 -7.053 -7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.108 -8.301 -9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.089 -9.536 -8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.993 -8.125 -8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.047 -6.671 -9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.739 -7.109 -11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.121 -8.810 -11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.104 -6.526 -10.851 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.962 -7.514 -12.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.637 -8.569 -11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.305 -9.459 -10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.989 -8.249 -9.633 1.00 0.00 H new ATOM 711 N GLU A 48 -3.772 -9.187 -6.006 1.00 0.00 N ATOM 712 CA GLU A 48 -4.834 -9.294 -5.012 1.00 0.00 C ATOM 713 C GLU A 48 -4.596 -8.326 -3.856 1.00 0.00 C ATOM 714 O GLU A 48 -5.514 -7.642 -3.406 1.00 0.00 O ATOM 715 CB GLU A 48 -4.926 -10.726 -4.483 1.00 0.00 C ATOM 716 CG GLU A 48 -5.198 -11.759 -5.565 1.00 0.00 C ATOM 717 CD GLU A 48 -6.674 -11.900 -5.878 1.00 0.00 C ATOM 718 OE1 GLU A 48 -7.497 -11.722 -4.956 1.00 0.00 O ATOM 719 OE2 GLU A 48 -7.007 -12.190 -7.047 1.00 0.00 O ATOM 0 H GLU A 48 -3.301 -10.067 -6.217 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.776 -9.032 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.994 -10.978 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.718 -10.778 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.663 -11.479 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.804 -12.724 -5.248 1.00 0.00 H new ATOM 726 N ASP A 49 -3.357 -8.277 -3.379 1.00 0.00 N ATOM 727 CA ASP A 49 -2.996 -7.395 -2.275 1.00 0.00 C ATOM 728 C ASP A 49 -3.395 -5.954 -2.580 1.00 0.00 C ATOM 729 O ASP A 49 -3.819 -5.216 -1.690 1.00 0.00 O ATOM 730 CB ASP A 49 -1.494 -7.475 -2.001 1.00 0.00 C ATOM 731 CG ASP A 49 -1.113 -8.723 -1.228 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.924 -9.174 -0.391 1.00 0.00 O ATOM 733 OD2 ASP A 49 -0.004 -9.247 -1.460 1.00 0.00 O ATOM 0 H ASP A 49 -2.585 -8.838 -3.740 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.537 -7.723 -1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.953 -7.458 -2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.182 -6.594 -1.440 1.00 0.00 H new ATOM 738 N ILE A 50 -3.254 -5.561 -3.841 1.00 0.00 N ATOM 739 CA ILE A 50 -3.599 -4.209 -4.262 1.00 0.00 C ATOM 740 C ILE A 50 -5.085 -3.933 -4.059 1.00 0.00 C ATOM 741 O ILE A 50 -5.469 -2.878 -3.550 1.00 0.00 O ATOM 742 CB ILE A 50 -3.240 -3.970 -5.740 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.755 -4.247 -5.978 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.592 -2.547 -6.148 1.00 0.00 C ATOM 745 CD1 ILE A 50 -0.841 -3.220 -5.348 1.00 0.00 C ATOM 0 H ILE A 50 -2.903 -6.159 -4.589 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.017 -3.527 -3.642 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.821 -4.657 -6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.509 -5.232 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.567 -4.279 -7.051 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.332 -2.394 -7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.661 -2.383 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.035 -1.843 -5.530 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.197 -3.480 -5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.059 -2.236 -5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.001 -3.203 -4.270 1.00 0.00 H new ATOM 757 N LEU A 51 -5.918 -4.886 -4.461 1.00 0.00 N ATOM 758 CA LEU A 51 -7.363 -4.747 -4.322 1.00 0.00 C ATOM 759 C LEU A 51 -7.767 -4.693 -2.852 1.00 0.00 C ATOM 760 O LEU A 51 -8.860 -4.240 -2.514 1.00 0.00 O ATOM 761 CB LEU A 51 -8.076 -5.909 -5.016 1.00 0.00 C ATOM 762 CG LEU A 51 -7.980 -5.940 -6.542 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.426 -7.292 -7.077 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.814 -4.823 -7.151 1.00 0.00 C ATOM 0 H LEU A 51 -5.618 -5.763 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.660 -3.811 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.670 -6.843 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.130 -5.880 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.939 -5.785 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.351 -7.296 -8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.788 -8.074 -6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.460 -7.476 -6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.734 -4.860 -8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.857 -4.947 -6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.449 -3.860 -6.793 1.00 0.00 H new ATOM 776 N ASN A 52 -6.876 -5.158 -1.982 1.00 0.00 N ATOM 777 CA ASN A 52 -7.139 -5.161 -0.547 1.00 0.00 C ATOM 778 C ASN A 52 -6.723 -3.836 0.085 1.00 0.00 C ATOM 779 O ASN A 52 -7.153 -3.501 1.189 1.00 0.00 O ATOM 780 CB ASN A 52 -6.395 -6.316 0.127 1.00 0.00 C ATOM 781 CG ASN A 52 -6.962 -7.670 -0.256 1.00 0.00 C ATOM 782 OD1 ASN A 52 -7.853 -7.766 -1.100 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.447 -8.724 0.367 1.00 0.00 N ATOM 0 H ASN A 52 -5.966 -5.537 -2.245 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.211 -5.293 -0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.341 -6.275 -0.148 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.447 -6.196 1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.789 -9.661 0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.709 -8.597 1.060 1.00 0.00 H new ATOM 790 N TYR A 53 -5.885 -3.087 -0.622 1.00 0.00 N ATOM 791 CA TYR A 53 -5.409 -1.800 -0.131 1.00 0.00 C ATOM 792 C TYR A 53 -6.395 -0.686 -0.475 1.00 0.00 C ATOM 793 O TYR A 53 -6.529 0.290 0.264 1.00 0.00 O ATOM 794 CB TYR A 53 -4.035 -1.480 -0.722 1.00 0.00 C ATOM 795 CG TYR A 53 -3.582 -0.060 -0.470 1.00 0.00 C ATOM 796 CD1 TYR A 53 -4.135 1.002 -1.176 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.602 0.221 0.474 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.724 2.301 -0.950 1.00 0.00 C ATOM 799 CE2 TYR A 53 -2.187 1.518 0.708 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.750 2.554 -0.007 1.00 0.00 C ATOM 801 OH TYR A 53 -2.338 3.846 0.223 1.00 0.00 O ATOM 0 H TYR A 53 -5.521 -3.349 -1.538 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.324 -1.864 0.954 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.300 -2.167 -0.302 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.061 -1.659 -1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.899 0.808 -1.914 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.157 -0.588 1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.163 3.114 -1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.426 1.719 1.447 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.079 4.462 0.047 1.00 0.00 H new ATOM 811 N LEU A 54 -7.081 -0.841 -1.601 1.00 0.00 N ATOM 812 CA LEU A 54 -8.056 0.148 -2.045 1.00 0.00 C ATOM 813 C LEU A 54 -9.369 0.000 -1.282 1.00 0.00 C ATOM 814 O LEU A 54 -10.007 0.991 -0.929 1.00 0.00 O ATOM 815 CB LEU A 54 -8.307 0.008 -3.547 1.00 0.00 C ATOM 816 CG LEU A 54 -7.162 0.443 -4.462 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.304 -0.196 -5.835 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.118 1.959 -4.579 1.00 0.00 C ATOM 0 H LEU A 54 -6.980 -1.643 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.649 1.139 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.540 -1.035 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.192 0.591 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.223 0.106 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.480 0.125 -6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.284 -1.281 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.250 0.110 -6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.297 2.250 -5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.059 2.319 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.967 2.396 -3.592 1.00 0.00 H new ATOM 830 N GLU A 55 -9.764 -1.243 -1.031 1.00 0.00 N ATOM 831 CA GLU A 55 -11.000 -1.520 -0.310 1.00 0.00 C ATOM 832 C GLU A 55 -10.993 -0.847 1.060 1.00 0.00 C ATOM 833 O GLU A 55 -12.047 -0.543 1.622 1.00 0.00 O ATOM 834 CB GLU A 55 -11.196 -3.029 -0.146 1.00 0.00 C ATOM 835 CG GLU A 55 -10.281 -3.652 0.895 1.00 0.00 C ATOM 836 CD GLU A 55 -10.847 -4.932 1.478 1.00 0.00 C ATOM 837 OE1 GLU A 55 -10.803 -5.970 0.786 1.00 0.00 O ATOM 838 OE2 GLU A 55 -11.334 -4.896 2.627 1.00 0.00 O ATOM 0 H GLU A 55 -9.246 -2.074 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.827 -1.115 -0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.232 -3.224 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.024 -3.516 -1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.311 -3.861 0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.110 -2.936 1.699 1.00 0.00 H new