USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 410 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 Single : A 17 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -114:sc= -0.0119 (180deg=-0.19) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0.0147 (180deg=0.00974) USER MOD Single : A 30 CYS SG : rot 20:sc= 0.134 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.39) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 43 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.52) USER MOD Single : A 44 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.38) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.67 K(o=-3.7,f=-4.9!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 252 N ILE A 15 57.219 1.384 10.081 1.00 0.00 N ATOM 253 CA ILE A 15 56.701 1.689 8.716 1.00 0.00 C ATOM 254 C ILE A 15 55.550 2.691 8.833 1.00 0.00 C ATOM 255 O ILE A 15 54.399 2.362 8.606 1.00 0.00 O ATOM 256 CB ILE A 15 56.218 0.398 8.022 1.00 0.00 C ATOM 257 CG1 ILE A 15 57.425 -0.501 7.701 1.00 0.00 C ATOM 258 CG2 ILE A 15 55.483 0.737 6.711 1.00 0.00 C ATOM 259 CD1 ILE A 15 58.367 0.196 6.704 1.00 0.00 C ATOM 0 HA ILE A 15 57.500 2.119 8.113 1.00 0.00 H new ATOM 0 HB ILE A 15 55.535 -0.122 8.694 1.00 0.00 H new ATOM 0 HG12 ILE A 15 57.966 -0.735 8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 15 57.080 -1.447 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 15 55.148 -0.184 6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 15 54.621 1.367 6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 15 56.159 1.268 6.041 1.00 0.00 H new ATOM 0 HD11 ILE A 15 59.215 -0.454 6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 15 57.828 0.407 5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 15 58.727 1.130 7.135 1.00 0.00 H new ATOM 271 N GLU A 16 55.858 3.916 9.160 1.00 0.00 N ATOM 272 CA GLU A 16 54.801 4.948 9.257 1.00 0.00 C ATOM 273 C GLU A 16 54.257 5.189 7.855 1.00 0.00 C ATOM 274 O GLU A 16 54.936 4.950 6.874 1.00 0.00 O ATOM 275 CB GLU A 16 55.391 6.246 9.811 1.00 0.00 C ATOM 276 CG GLU A 16 55.623 6.096 11.315 1.00 0.00 C ATOM 277 CD GLU A 16 54.397 6.605 12.075 1.00 0.00 C ATOM 278 OE1 GLU A 16 53.297 6.227 11.707 1.00 0.00 O ATOM 279 OE2 GLU A 16 54.580 7.362 13.013 1.00 0.00 O ATOM 0 H GLU A 16 56.802 4.243 9.364 1.00 0.00 H new ATOM 0 HA GLU A 16 54.006 4.616 9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 16 56.330 6.475 9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 16 54.714 7.078 9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 16 55.809 5.051 11.562 1.00 0.00 H new ATOM 0 HG3 GLU A 16 56.508 6.657 11.615 1.00 0.00 H new ATOM 286 N ASN A 17 53.046 5.651 7.747 1.00 0.00 N ATOM 287 CA ASN A 17 52.464 5.905 6.397 1.00 0.00 C ATOM 288 C ASN A 17 53.319 6.939 5.660 1.00 0.00 C ATOM 289 O ASN A 17 53.339 6.984 4.444 1.00 0.00 O ATOM 290 CB ASN A 17 51.030 6.421 6.539 1.00 0.00 C ATOM 291 CG ASN A 17 50.237 6.071 5.278 1.00 0.00 C ATOM 292 OD1 ASN A 17 50.466 5.044 4.669 1.00 0.00 O ATOM 293 ND2 ASN A 17 49.308 6.885 4.856 1.00 0.00 N ATOM 0 H ASN A 17 52.432 5.865 8.533 1.00 0.00 H new ATOM 0 HA ASN A 17 52.451 4.976 5.827 1.00 0.00 H new ATOM 0 HB2 ASN A 17 50.557 5.977 7.415 1.00 0.00 H new ATOM 0 HB3 ASN A 17 51.034 7.500 6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 17 48.775 6.659 4.016 1.00 0.00 H new ATOM 0 HD22 ASN A 17 49.115 7.747 5.366 1.00 0.00 H new ATOM 300 N ARG A 18 54.039 7.757 6.389 1.00 0.00 N ATOM 301 CA ARG A 18 54.906 8.771 5.737 1.00 0.00 C ATOM 302 C ARG A 18 56.204 8.096 5.285 1.00 0.00 C ATOM 303 O ARG A 18 56.798 8.487 4.298 1.00 0.00 O ATOM 304 CB ARG A 18 55.216 9.898 6.734 1.00 0.00 C ATOM 305 CG ARG A 18 54.859 11.250 6.111 1.00 0.00 C ATOM 306 CD ARG A 18 53.337 11.397 6.055 1.00 0.00 C ATOM 307 NE ARG A 18 52.971 12.832 6.217 1.00 0.00 N ATOM 308 CZ ARG A 18 52.801 13.331 7.411 1.00 0.00 C ATOM 309 NH1 ARG A 18 52.057 12.702 8.281 1.00 0.00 N ATOM 310 NH2 ARG A 18 53.374 14.457 7.734 1.00 0.00 N ATOM 0 H ARG A 18 54.059 7.761 7.409 1.00 0.00 H new ATOM 0 HA ARG A 18 54.398 9.197 4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 18 54.650 9.749 7.653 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.272 9.878 7.003 1.00 0.00 H new ATOM 0 HG2 ARG A 18 55.292 12.059 6.698 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.280 11.323 5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 18 52.959 11.019 5.105 1.00 0.00 H new ATOM 0 HD3 ARG A 18 52.874 10.801 6.842 1.00 0.00 H new ATOM 0 HE ARG A 18 52.853 13.424 5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 18 51.609 11.821 8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 18 51.924 13.091 9.214 1.00 0.00 H new ATOM 0 HH21 ARG A 18 53.955 14.947 7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 18 53.241 14.847 8.667 1.00 0.00 H new ATOM 324 N VAL A 19 56.647 7.083 5.997 1.00 0.00 N ATOM 325 CA VAL A 19 57.907 6.388 5.597 1.00 0.00 C ATOM 326 C VAL A 19 57.708 5.732 4.234 1.00 0.00 C ATOM 327 O VAL A 19 58.558 5.812 3.375 1.00 0.00 O ATOM 328 CB VAL A 19 58.336 5.355 6.683 1.00 0.00 C ATOM 329 CG1 VAL A 19 57.902 3.908 6.368 1.00 0.00 C ATOM 330 CG2 VAL A 19 59.860 5.383 6.785 1.00 0.00 C ATOM 0 H VAL A 19 56.191 6.713 6.831 1.00 0.00 H new ATOM 0 HA VAL A 19 58.716 7.114 5.515 1.00 0.00 H new ATOM 0 HB VAL A 19 57.844 5.641 7.613 1.00 0.00 H new ATOM 0 HG11 VAL A 19 58.235 3.246 7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 19 56.816 3.863 6.289 1.00 0.00 H new ATOM 0 HG13 VAL A 19 58.348 3.591 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 19 60.187 4.668 7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 19 60.294 5.118 5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 19 60.187 6.384 7.067 1.00 0.00 H new ATOM 340 N ARG A 20 56.604 5.057 4.051 1.00 0.00 N ATOM 341 CA ARG A 20 56.347 4.376 2.746 1.00 0.00 C ATOM 342 C ARG A 20 56.338 5.396 1.616 1.00 0.00 C ATOM 343 O ARG A 20 56.960 5.194 0.588 1.00 0.00 O ATOM 344 CB ARG A 20 55.000 3.655 2.803 1.00 0.00 C ATOM 345 CG ARG A 20 55.143 2.365 3.612 1.00 0.00 C ATOM 346 CD ARG A 20 53.907 1.490 3.394 1.00 0.00 C ATOM 347 NE ARG A 20 54.300 0.054 3.434 1.00 0.00 N ATOM 348 CZ ARG A 20 53.391 -0.864 3.620 1.00 0.00 C ATOM 349 NH1 ARG A 20 52.347 -0.916 2.839 1.00 0.00 N ATOM 350 NH2 ARG A 20 53.526 -1.730 4.587 1.00 0.00 N ATOM 0 H ARG A 20 55.868 4.947 4.749 1.00 0.00 H new ATOM 0 HA ARG A 20 57.139 3.651 2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 20 54.249 4.301 3.259 1.00 0.00 H new ATOM 0 HB3 ARG A 20 54.655 3.427 1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 20 56.041 1.828 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 20 55.256 2.597 4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 20 53.163 1.696 4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 20 53.447 1.725 2.434 1.00 0.00 H new ATOM 0 HE ARG A 20 55.278 -0.212 3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 20 52.241 -0.239 2.083 1.00 0.00 H new ATOM 0 HH12 ARG A 20 51.637 -1.633 2.984 1.00 0.00 H new ATOM 0 HH21 ARG A 20 54.342 -1.690 5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 20 52.815 -2.447 4.732 1.00 0.00 H new ATOM 364 N TRP A 21 55.654 6.490 1.788 1.00 0.00 N ATOM 365 CA TRP A 21 55.637 7.506 0.701 1.00 0.00 C ATOM 366 C TRP A 21 56.927 8.330 0.727 1.00 0.00 C ATOM 367 O TRP A 21 57.228 9.045 -0.211 1.00 0.00 O ATOM 368 CB TRP A 21 54.336 8.310 0.759 1.00 0.00 C ATOM 369 CG TRP A 21 53.216 7.302 0.670 1.00 0.00 C ATOM 370 CD1 TRP A 21 52.086 7.311 1.414 1.00 0.00 C ATOM 371 CD2 TRP A 21 53.138 6.097 -0.170 1.00 0.00 C ATOM 372 NE1 TRP A 21 51.327 6.193 1.094 1.00 0.00 N ATOM 373 CE2 TRP A 21 51.937 5.414 0.125 1.00 0.00 C ATOM 374 CE3 TRP A 21 53.986 5.533 -1.149 1.00 0.00 C ATOM 375 CZ2 TRP A 21 51.600 4.214 -0.521 1.00 0.00 C ATOM 376 CZ3 TRP A 21 53.654 4.342 -1.793 1.00 0.00 C ATOM 377 CH2 TRP A 21 52.467 3.676 -1.476 1.00 0.00 C ATOM 0 H TRP A 21 55.113 6.724 2.621 1.00 0.00 H new ATOM 0 HA TRP A 21 55.632 7.031 -0.280 1.00 0.00 H new ATOM 0 HB2 TRP A 21 54.273 8.882 1.685 1.00 0.00 H new ATOM 0 HB3 TRP A 21 54.283 9.025 -0.062 1.00 0.00 H new ATOM 0 HD1 TRP A 21 51.818 8.065 2.139 1.00 0.00 H new ATOM 0 HE1 TRP A 21 50.428 5.972 1.522 1.00 0.00 H new ATOM 0 HE3 TRP A 21 54.909 6.034 -1.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 50.676 3.709 -0.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 54.317 3.932 -2.540 1.00 0.00 H new ATOM 0 HH2 TRP A 21 52.220 2.747 -1.968 1.00 0.00 H new ATOM 388 N SER A 22 57.756 8.126 1.728 1.00 0.00 N ATOM 389 CA SER A 22 59.089 8.769 1.732 1.00 0.00 C ATOM 390 C SER A 22 59.910 7.954 0.725 1.00 0.00 C ATOM 391 O SER A 22 60.648 8.485 -0.080 1.00 0.00 O ATOM 392 CB SER A 22 59.718 8.687 3.125 1.00 0.00 C ATOM 393 OG SER A 22 60.737 9.673 3.238 1.00 0.00 O ATOM 0 H SER A 22 57.556 7.539 2.538 1.00 0.00 H new ATOM 0 HA SER A 22 59.042 9.826 1.472 1.00 0.00 H new ATOM 0 HB2 SER A 22 58.958 8.844 3.890 1.00 0.00 H new ATOM 0 HB3 SER A 22 60.136 7.694 3.290 1.00 0.00 H new ATOM 0 HG SER A 22 61.141 9.625 4.129 1.00 0.00 H new ATOM 399 N LEU A 23 59.709 6.643 0.720 1.00 0.00 N ATOM 400 CA LEU A 23 60.388 5.763 -0.280 1.00 0.00 C ATOM 401 C LEU A 23 60.023 6.287 -1.663 1.00 0.00 C ATOM 402 O LEU A 23 60.844 6.408 -2.542 1.00 0.00 O ATOM 403 CB LEU A 23 59.804 4.345 -0.228 1.00 0.00 C ATOM 404 CG LEU A 23 59.990 3.644 1.108 1.00 0.00 C ATOM 405 CD1 LEU A 23 58.840 2.633 1.241 1.00 0.00 C ATOM 406 CD2 LEU A 23 61.327 2.892 1.116 1.00 0.00 C ATOM 0 H LEU A 23 59.098 6.153 1.374 1.00 0.00 H new ATOM 0 HA LEU A 23 61.459 5.755 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 23 58.739 4.394 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 23 60.269 3.744 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 23 59.989 4.361 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.930 2.102 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 23 57.887 3.160 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 23 58.887 1.919 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 23 61.457 2.391 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 23 61.333 2.152 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 23 62.143 3.598 0.962 1.00 0.00 H new ATOM 418 N GLU A 24 58.752 6.560 -1.840 1.00 0.00 N ATOM 419 CA GLU A 24 58.232 7.051 -3.157 1.00 0.00 C ATOM 420 C GLU A 24 59.054 8.234 -3.681 1.00 0.00 C ATOM 421 O GLU A 24 59.519 8.210 -4.804 1.00 0.00 O ATOM 422 CB GLU A 24 56.770 7.485 -2.990 1.00 0.00 C ATOM 423 CG GLU A 24 55.924 6.921 -4.137 1.00 0.00 C ATOM 424 CD GLU A 24 54.505 7.488 -4.057 1.00 0.00 C ATOM 425 OE1 GLU A 24 54.360 8.690 -4.205 1.00 0.00 O ATOM 426 OE2 GLU A 24 53.588 6.710 -3.850 1.00 0.00 O ATOM 0 H GLU A 24 58.041 6.462 -1.115 1.00 0.00 H new ATOM 0 HA GLU A 24 58.310 6.238 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 24 56.384 7.132 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 24 56.704 8.573 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 24 56.375 7.178 -5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 24 55.895 5.833 -4.080 1.00 0.00 H new ATOM 433 N THR A 25 59.224 9.272 -2.897 1.00 0.00 N ATOM 434 CA THR A 25 60.007 10.448 -3.385 1.00 0.00 C ATOM 435 C THR A 25 61.445 10.017 -3.680 1.00 0.00 C ATOM 436 O THR A 25 62.106 10.586 -4.528 1.00 0.00 O ATOM 437 CB THR A 25 59.999 11.567 -2.338 1.00 0.00 C ATOM 438 OG1 THR A 25 60.829 12.631 -2.784 1.00 0.00 O ATOM 439 CG2 THR A 25 60.520 11.041 -1.002 1.00 0.00 C ATOM 0 H THR A 25 58.857 9.355 -1.949 1.00 0.00 H new ATOM 0 HA THR A 25 59.548 10.826 -4.298 1.00 0.00 H new ATOM 0 HB THR A 25 58.978 11.925 -2.204 1.00 0.00 H new ATOM 0 HG1 THR A 25 60.826 13.350 -2.118 1.00 0.00 H new ATOM 0 HG21 THR A 25 60.510 11.845 -0.266 1.00 0.00 H new ATOM 0 HG22 THR A 25 59.883 10.226 -0.658 1.00 0.00 H new ATOM 0 HG23 THR A 25 61.540 10.676 -1.127 1.00 0.00 H new ATOM 447 N MET A 26 61.933 9.012 -2.992 1.00 0.00 N ATOM 448 CA MET A 26 63.330 8.545 -3.243 1.00 0.00 C ATOM 449 C MET A 26 63.391 7.728 -4.546 1.00 0.00 C ATOM 450 O MET A 26 64.427 7.645 -5.180 1.00 0.00 O ATOM 451 CB MET A 26 63.801 7.678 -2.070 1.00 0.00 C ATOM 452 CG MET A 26 63.768 8.494 -0.772 1.00 0.00 C ATOM 453 SD MET A 26 64.938 9.875 -0.875 1.00 0.00 S ATOM 454 CE MET A 26 66.443 8.938 -0.513 1.00 0.00 C ATOM 0 H MET A 26 61.426 8.498 -2.271 1.00 0.00 H new ATOM 0 HA MET A 26 63.982 9.414 -3.339 1.00 0.00 H new ATOM 0 HB2 MET A 26 63.161 6.801 -1.975 1.00 0.00 H new ATOM 0 HB3 MET A 26 64.812 7.316 -2.257 1.00 0.00 H new ATOM 0 HG2 MET A 26 62.761 8.873 -0.597 1.00 0.00 H new ATOM 0 HG3 MET A 26 64.020 7.856 0.075 1.00 0.00 H new ATOM 0 HE1 MET A 26 66.855 9.266 0.441 1.00 0.00 H new ATOM 0 HE2 MET A 26 66.206 7.875 -0.460 1.00 0.00 H new ATOM 0 HE3 MET A 26 67.176 9.107 -1.302 1.00 0.00 H new ATOM 464 N PHE A 27 62.294 7.128 -4.952 1.00 0.00 N ATOM 465 CA PHE A 27 62.293 6.321 -6.215 1.00 0.00 C ATOM 466 C PHE A 27 61.897 7.199 -7.411 1.00 0.00 C ATOM 467 O PHE A 27 62.107 6.826 -8.550 1.00 0.00 O ATOM 468 CB PHE A 27 61.303 5.148 -6.096 1.00 0.00 C ATOM 469 CG PHE A 27 61.917 4.062 -5.246 1.00 0.00 C ATOM 470 CD1 PHE A 27 63.071 3.400 -5.682 1.00 0.00 C ATOM 471 CD2 PHE A 27 61.333 3.719 -4.022 1.00 0.00 C ATOM 472 CE1 PHE A 27 63.642 2.395 -4.892 1.00 0.00 C ATOM 473 CE2 PHE A 27 61.904 2.714 -3.232 1.00 0.00 C ATOM 474 CZ PHE A 27 63.058 2.052 -3.667 1.00 0.00 C ATOM 0 H PHE A 27 61.400 7.163 -4.462 1.00 0.00 H new ATOM 0 HA PHE A 27 63.299 5.932 -6.373 1.00 0.00 H new ATOM 0 HB2 PHE A 27 60.368 5.489 -5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 27 61.062 4.759 -7.085 1.00 0.00 H new ATOM 0 HD1 PHE A 27 63.521 3.665 -6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 27 60.442 4.229 -3.687 1.00 0.00 H new ATOM 0 HE1 PHE A 27 64.533 1.885 -5.228 1.00 0.00 H new ATOM 0 HE2 PHE A 27 61.454 2.449 -2.287 1.00 0.00 H new ATOM 0 HZ PHE A 27 63.498 1.277 -3.057 1.00 0.00 H new ATOM 484 N LEU A 28 61.313 8.350 -7.169 1.00 0.00 N ATOM 485 CA LEU A 28 60.891 9.234 -8.297 1.00 0.00 C ATOM 486 C LEU A 28 61.999 10.232 -8.657 1.00 0.00 C ATOM 487 O LEU A 28 61.739 11.266 -9.244 1.00 0.00 O ATOM 488 CB LEU A 28 59.625 9.986 -7.895 1.00 0.00 C ATOM 489 CG LEU A 28 58.517 8.972 -7.599 1.00 0.00 C ATOM 490 CD1 LEU A 28 57.363 9.672 -6.881 1.00 0.00 C ATOM 491 CD2 LEU A 28 58.015 8.349 -8.914 1.00 0.00 C ATOM 0 H LEU A 28 61.111 8.713 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 28 60.695 8.617 -9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.816 10.602 -7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.316 10.659 -8.695 1.00 0.00 H new ATOM 0 HG LEU A 28 58.912 8.182 -6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.574 8.950 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 28 57.723 10.100 -5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 28 56.968 10.466 -7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.227 7.628 -8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 28 57.622 9.133 -9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 28 58.840 7.844 -9.416 1.00 0.00 H new ATOM 503 N LYS A 29 63.230 9.924 -8.332 1.00 0.00 N ATOM 504 CA LYS A 29 64.353 10.846 -8.677 1.00 0.00 C ATOM 505 C LYS A 29 65.017 10.318 -9.948 1.00 0.00 C ATOM 506 O LYS A 29 65.359 11.060 -10.849 1.00 0.00 O ATOM 507 CB LYS A 29 65.371 10.887 -7.522 1.00 0.00 C ATOM 508 CG LYS A 29 66.027 9.510 -7.326 1.00 0.00 C ATOM 509 CD LYS A 29 66.757 9.478 -5.982 1.00 0.00 C ATOM 510 CE LYS A 29 67.702 8.273 -5.936 1.00 0.00 C ATOM 511 NZ LYS A 29 67.608 7.622 -4.599 1.00 0.00 N ATOM 0 H LYS A 29 63.505 9.073 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 29 63.982 11.858 -8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 29 66.137 11.634 -7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 29 64.872 11.192 -6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 29 65.270 8.727 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 29 66.727 9.311 -8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 29 67.321 10.400 -5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 29 66.036 9.418 -5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 29 67.440 7.561 -6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 29 68.727 8.593 -6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 68.156 6.738 -4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 67.990 8.262 -3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 66.612 7.411 -4.385 1.00 0.00 H new ATOM 525 N CYS A 30 65.173 9.027 -10.014 1.00 0.00 N ATOM 526 CA CYS A 30 65.779 8.388 -11.196 1.00 0.00 C ATOM 527 C CYS A 30 65.012 7.080 -11.460 1.00 0.00 C ATOM 528 O CYS A 30 64.578 6.438 -10.523 1.00 0.00 O ATOM 529 CB CYS A 30 67.251 8.075 -10.917 1.00 0.00 C ATOM 530 SG CYS A 30 68.250 9.554 -11.216 1.00 0.00 S ATOM 0 H CYS A 30 64.897 8.379 -9.276 1.00 0.00 H new ATOM 0 HA CYS A 30 65.723 9.049 -12.061 1.00 0.00 H new ATOM 0 HB2 CYS A 30 67.374 7.742 -9.886 1.00 0.00 H new ATOM 0 HB3 CYS A 30 67.588 7.260 -11.557 1.00 0.00 H new ATOM 0 HG CYS A 30 67.489 10.607 -11.178 1.00 0.00 H new ATOM 536 N PRO A 31 64.861 6.705 -12.712 1.00 0.00 N ATOM 537 CA PRO A 31 64.152 5.469 -13.071 1.00 0.00 C ATOM 538 C PRO A 31 65.110 4.274 -12.997 1.00 0.00 C ATOM 539 O PRO A 31 64.774 3.185 -13.425 1.00 0.00 O ATOM 540 CB PRO A 31 63.747 5.702 -14.526 1.00 0.00 C ATOM 541 CG PRO A 31 64.737 6.748 -15.087 1.00 0.00 C ATOM 542 CD PRO A 31 65.369 7.454 -13.875 1.00 0.00 C ATOM 0 HA PRO A 31 63.311 5.255 -12.412 1.00 0.00 H new ATOM 0 HB2 PRO A 31 63.796 4.775 -15.097 1.00 0.00 H new ATOM 0 HB3 PRO A 31 62.721 6.063 -14.591 1.00 0.00 H new ATOM 0 HG2 PRO A 31 65.502 6.268 -15.698 1.00 0.00 H new ATOM 0 HG3 PRO A 31 64.222 7.464 -15.727 1.00 0.00 H new ATOM 0 HD2 PRO A 31 66.458 7.426 -13.921 1.00 0.00 H new ATOM 0 HD3 PRO A 31 65.079 8.504 -13.830 1.00 0.00 H new ATOM 550 N LYS A 32 66.313 4.470 -12.494 1.00 0.00 N ATOM 551 CA LYS A 32 67.286 3.353 -12.444 1.00 0.00 C ATOM 552 C LYS A 32 67.773 3.089 -10.998 1.00 0.00 C ATOM 553 O LYS A 32 68.950 3.233 -10.721 1.00 0.00 O ATOM 554 CB LYS A 32 68.486 3.712 -13.332 1.00 0.00 C ATOM 555 CG LYS A 32 69.038 5.087 -12.926 1.00 0.00 C ATOM 556 CD LYS A 32 70.319 5.377 -13.715 1.00 0.00 C ATOM 557 CE LYS A 32 71.503 4.672 -13.048 1.00 0.00 C ATOM 558 NZ LYS A 32 72.735 5.493 -13.223 1.00 0.00 N ATOM 0 H LYS A 32 66.650 5.357 -12.120 1.00 0.00 H new ATOM 0 HA LYS A 32 66.798 2.446 -12.801 1.00 0.00 H new ATOM 0 HB2 LYS A 32 69.263 2.954 -13.234 1.00 0.00 H new ATOM 0 HB3 LYS A 32 68.184 3.725 -14.379 1.00 0.00 H new ATOM 0 HG2 LYS A 32 68.295 5.861 -13.121 1.00 0.00 H new ATOM 0 HG3 LYS A 32 69.245 5.106 -11.856 1.00 0.00 H new ATOM 0 HD2 LYS A 32 70.210 5.033 -14.744 1.00 0.00 H new ATOM 0 HD3 LYS A 32 70.498 6.451 -13.755 1.00 0.00 H new ATOM 0 HE2 LYS A 32 71.300 4.523 -11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 32 71.646 3.685 -13.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 73.539 5.014 -12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 72.931 5.613 -14.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 72.596 6.426 -12.784 1.00 0.00 H new ATOM 572 N PRO A 33 66.885 2.682 -10.106 1.00 0.00 N ATOM 573 CA PRO A 33 67.286 2.384 -8.721 1.00 0.00 C ATOM 574 C PRO A 33 68.016 1.041 -8.690 1.00 0.00 C ATOM 575 O PRO A 33 67.512 0.040 -9.164 1.00 0.00 O ATOM 576 CB PRO A 33 65.965 2.330 -7.951 1.00 0.00 C ATOM 577 CG PRO A 33 64.866 2.049 -8.996 1.00 0.00 C ATOM 578 CD PRO A 33 65.438 2.474 -10.367 1.00 0.00 C ATOM 0 HA PRO A 33 67.966 3.119 -8.290 1.00 0.00 H new ATOM 0 HB2 PRO A 33 65.989 1.548 -7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 33 65.778 3.271 -7.433 1.00 0.00 H new ATOM 0 HG2 PRO A 33 64.596 0.993 -9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 33 63.960 2.609 -8.765 1.00 0.00 H new ATOM 0 HD2 PRO A 33 65.276 1.705 -11.123 1.00 0.00 H new ATOM 0 HD3 PRO A 33 64.964 3.385 -10.732 1.00 0.00 H new ATOM 586 N SER A 34 69.204 1.022 -8.151 1.00 0.00 N ATOM 587 CA SER A 34 69.991 -0.241 -8.100 1.00 0.00 C ATOM 588 C SER A 34 69.519 -1.093 -6.941 1.00 0.00 C ATOM 589 O SER A 34 69.046 -0.582 -5.947 1.00 0.00 O ATOM 590 CB SER A 34 71.469 0.094 -7.902 1.00 0.00 C ATOM 591 OG SER A 34 72.081 0.285 -9.171 1.00 0.00 O ATOM 0 H SER A 34 69.666 1.834 -7.741 1.00 0.00 H new ATOM 0 HA SER A 34 69.854 -0.788 -9.033 1.00 0.00 H new ATOM 0 HB2 SER A 34 71.572 0.995 -7.297 1.00 0.00 H new ATOM 0 HB3 SER A 34 71.967 -0.711 -7.363 1.00 0.00 H new ATOM 0 HG SER A 34 73.029 0.502 -9.048 1.00 0.00 H new ATOM 597 N LEU A 35 69.679 -2.392 -7.041 1.00 0.00 N ATOM 598 CA LEU A 35 69.286 -3.268 -5.903 1.00 0.00 C ATOM 599 C LEU A 35 70.157 -2.872 -4.692 1.00 0.00 C ATOM 600 O LEU A 35 69.792 -3.084 -3.552 1.00 0.00 O ATOM 601 CB LEU A 35 69.461 -4.759 -6.286 1.00 0.00 C ATOM 602 CG LEU A 35 70.934 -5.200 -6.231 1.00 0.00 C ATOM 603 CD1 LEU A 35 71.009 -6.725 -6.321 1.00 0.00 C ATOM 604 CD2 LEU A 35 71.704 -4.589 -7.403 1.00 0.00 C ATOM 0 H LEU A 35 70.061 -2.875 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 35 68.234 -3.137 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.872 -5.378 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 35 69.071 -4.923 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 35 71.375 -4.861 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 35 72.051 -7.041 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 35 70.465 -7.166 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 35 70.564 -7.056 -7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 35 72.746 -4.905 -7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 35 71.263 -4.924 -8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 35 71.652 -3.502 -7.345 1.00 0.00 H new ATOM 616 N GLN A 36 71.296 -2.251 -4.950 1.00 0.00 N ATOM 617 CA GLN A 36 72.169 -1.790 -3.835 1.00 0.00 C ATOM 618 C GLN A 36 71.435 -0.637 -3.166 1.00 0.00 C ATOM 619 O GLN A 36 71.374 -0.537 -1.955 1.00 0.00 O ATOM 620 CB GLN A 36 73.518 -1.311 -4.391 1.00 0.00 C ATOM 621 CG GLN A 36 74.620 -2.302 -4.002 1.00 0.00 C ATOM 622 CD GLN A 36 75.294 -1.835 -2.710 1.00 0.00 C ATOM 623 OE1 GLN A 36 76.159 -0.982 -2.737 1.00 0.00 O ATOM 624 NE2 GLN A 36 74.933 -2.362 -1.572 1.00 0.00 N ATOM 0 H GLN A 36 71.648 -2.049 -5.886 1.00 0.00 H new ATOM 0 HA GLN A 36 72.370 -2.593 -3.126 1.00 0.00 H new ATOM 0 HB2 GLN A 36 73.463 -1.221 -5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 36 73.752 -0.321 -4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 36 74.197 -3.297 -3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 36 75.356 -2.376 -4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 36 74.207 -3.078 -1.549 1.00 0.00 H new ATOM 0 HE22 GLN A 36 75.377 -2.058 -0.705 1.00 0.00 H new ATOM 633 N GLN A 37 70.833 0.208 -3.965 1.00 0.00 N ATOM 634 CA GLN A 37 70.040 1.333 -3.408 1.00 0.00 C ATOM 635 C GLN A 37 68.828 0.740 -2.678 1.00 0.00 C ATOM 636 O GLN A 37 68.305 1.336 -1.760 1.00 0.00 O ATOM 637 CB GLN A 37 69.563 2.250 -4.539 1.00 0.00 C ATOM 638 CG GLN A 37 69.005 3.552 -3.946 1.00 0.00 C ATOM 639 CD GLN A 37 69.968 4.708 -4.233 1.00 0.00 C ATOM 640 OE1 GLN A 37 70.424 4.872 -5.347 1.00 0.00 O ATOM 641 NE2 GLN A 37 70.297 5.522 -3.268 1.00 0.00 N ATOM 0 H GLN A 37 70.860 0.162 -4.984 1.00 0.00 H new ATOM 0 HA GLN A 37 70.650 1.920 -2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 37 70.389 2.471 -5.215 1.00 0.00 H new ATOM 0 HB3 GLN A 37 68.795 1.748 -5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 37 68.026 3.767 -4.375 1.00 0.00 H new ATOM 0 HG3 GLN A 37 68.865 3.442 -2.871 1.00 0.00 H new ATOM 0 HE21 GLN A 37 69.914 5.385 -2.332 1.00 0.00 H new ATOM 0 HE22 GLN A 37 70.937 6.296 -3.449 1.00 0.00 H new ATOM 650 N ILE A 38 68.399 -0.449 -3.063 1.00 0.00 N ATOM 651 CA ILE A 38 67.252 -1.094 -2.366 1.00 0.00 C ATOM 652 C ILE A 38 67.737 -1.520 -0.980 1.00 0.00 C ATOM 653 O ILE A 38 66.984 -1.524 -0.029 1.00 0.00 O ATOM 654 CB ILE A 38 66.735 -2.301 -3.189 1.00 0.00 C ATOM 655 CG1 ILE A 38 65.929 -1.779 -4.392 1.00 0.00 C ATOM 656 CG2 ILE A 38 65.815 -3.198 -2.333 1.00 0.00 C ATOM 657 CD1 ILE A 38 64.751 -0.915 -3.906 1.00 0.00 C ATOM 0 H ILE A 38 68.800 -0.991 -3.829 1.00 0.00 H new ATOM 0 HA ILE A 38 66.416 -0.402 -2.263 1.00 0.00 H new ATOM 0 HB ILE A 38 67.592 -2.887 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 38 66.575 -1.192 -5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 38 65.557 -2.617 -4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 38 65.465 -4.038 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 38 66.370 -3.573 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 38 64.959 -2.617 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 38 64.188 -0.551 -4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 38 64.098 -1.514 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 38 65.132 -0.067 -3.337 1.00 0.00 H new ATOM 669 N THR A 39 69.000 -1.846 -0.860 1.00 0.00 N ATOM 670 CA THR A 39 69.555 -2.227 0.470 1.00 0.00 C ATOM 671 C THR A 39 69.518 -0.979 1.350 1.00 0.00 C ATOM 672 O THR A 39 69.081 -1.014 2.482 1.00 0.00 O ATOM 673 CB THR A 39 71.000 -2.718 0.319 1.00 0.00 C ATOM 674 OG1 THR A 39 71.199 -3.212 -0.998 1.00 0.00 O ATOM 675 CG2 THR A 39 71.266 -3.836 1.330 1.00 0.00 C ATOM 0 H THR A 39 69.670 -1.864 -1.629 1.00 0.00 H new ATOM 0 HA THR A 39 68.971 -3.033 0.914 1.00 0.00 H new ATOM 0 HB THR A 39 71.686 -1.891 0.502 1.00 0.00 H new ATOM 0 HG1 THR A 39 72.123 -3.524 -1.094 1.00 0.00 H new ATOM 0 HG21 THR A 39 72.293 -4.186 1.224 1.00 0.00 H new ATOM 0 HG22 THR A 39 71.115 -3.456 2.340 1.00 0.00 H new ATOM 0 HG23 THR A 39 70.580 -4.663 1.147 1.00 0.00 H new ATOM 683 N HIS A 40 69.941 0.135 0.806 1.00 0.00 N ATOM 684 CA HIS A 40 69.899 1.420 1.570 1.00 0.00 C ATOM 685 C HIS A 40 68.439 1.824 1.790 1.00 0.00 C ATOM 686 O HIS A 40 68.128 2.576 2.694 1.00 0.00 O ATOM 687 CB HIS A 40 70.620 2.514 0.779 1.00 0.00 C ATOM 688 CG HIS A 40 71.299 3.459 1.732 1.00 0.00 C ATOM 689 ND1 HIS A 40 72.458 3.116 2.409 1.00 0.00 N ATOM 690 CD2 HIS A 40 70.997 4.738 2.129 1.00 0.00 C ATOM 691 CE1 HIS A 40 72.809 4.167 3.171 1.00 0.00 C ATOM 692 NE2 HIS A 40 71.952 5.184 3.038 1.00 0.00 N ATOM 0 H HIS A 40 70.316 0.210 -0.140 1.00 0.00 H new ATOM 0 HA HIS A 40 70.394 1.290 2.532 1.00 0.00 H new ATOM 0 HB2 HIS A 40 71.354 2.068 0.108 1.00 0.00 H new ATOM 0 HB3 HIS A 40 69.908 3.057 0.157 1.00 0.00 H new ATOM 0 HD2 HIS A 40 70.147 5.311 1.788 1.00 0.00 H new ATOM 0 HE1 HIS A 40 73.678 4.187 3.812 1.00 0.00 H new ATOM 0 HE2 HIS A 40 71.990 6.091 3.502 1.00 0.00 H new ATOM 700 N ILE A 41 67.541 1.311 0.985 1.00 0.00 N ATOM 701 CA ILE A 41 66.106 1.633 1.159 1.00 0.00 C ATOM 702 C ILE A 41 65.648 0.925 2.439 1.00 0.00 C ATOM 703 O ILE A 41 64.958 1.485 3.251 1.00 0.00 O ATOM 704 CB ILE A 41 65.338 1.148 -0.108 1.00 0.00 C ATOM 705 CG1 ILE A 41 64.897 2.365 -0.949 1.00 0.00 C ATOM 706 CG2 ILE A 41 64.097 0.308 0.229 1.00 0.00 C ATOM 707 CD1 ILE A 41 65.745 2.456 -2.223 1.00 0.00 C ATOM 0 H ILE A 41 67.750 0.679 0.212 1.00 0.00 H new ATOM 0 HA ILE A 41 65.915 2.701 1.262 1.00 0.00 H new ATOM 0 HB ILE A 41 66.027 0.514 -0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 41 63.843 2.275 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 41 65.004 3.279 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 41 63.605 -0.000 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 41 64.398 -0.575 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 41 63.407 0.903 0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 41 65.427 3.317 -2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 41 66.795 2.568 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 41 65.616 1.548 -2.812 1.00 0.00 H new ATOM 719 N ALA A 42 66.056 -0.305 2.616 1.00 0.00 N ATOM 720 CA ALA A 42 65.666 -1.075 3.833 1.00 0.00 C ATOM 721 C ALA A 42 66.211 -0.376 5.065 1.00 0.00 C ATOM 722 O ALA A 42 65.477 -0.065 5.980 1.00 0.00 O ATOM 723 CB ALA A 42 66.229 -2.493 3.742 1.00 0.00 C ATOM 0 H ALA A 42 66.650 -0.814 1.961 1.00 0.00 H new ATOM 0 HA ALA A 42 64.580 -1.129 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 42 65.944 -3.055 4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 42 65.829 -2.987 2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 42 67.316 -2.449 3.673 1.00 0.00 H new ATOM 729 N ASN A 43 67.483 -0.088 5.078 1.00 0.00 N ATOM 730 CA ASN A 43 68.066 0.647 6.232 1.00 0.00 C ATOM 731 C ASN A 43 67.417 2.042 6.293 1.00 0.00 C ATOM 732 O ASN A 43 67.444 2.706 7.310 1.00 0.00 O ATOM 733 CB ASN A 43 69.578 0.794 6.040 1.00 0.00 C ATOM 734 CG ASN A 43 70.210 -0.588 5.863 1.00 0.00 C ATOM 735 OD1 ASN A 43 69.809 -1.539 6.503 1.00 0.00 O ATOM 736 ND2 ASN A 43 71.189 -0.741 5.013 1.00 0.00 N ATOM 0 H ASN A 43 68.143 -0.330 4.339 1.00 0.00 H new ATOM 0 HA ASN A 43 67.879 0.102 7.157 1.00 0.00 H new ATOM 0 HB2 ASN A 43 69.785 1.414 5.168 1.00 0.00 H new ATOM 0 HB3 ASN A 43 70.017 1.298 6.901 1.00 0.00 H new ATOM 0 HD21 ASN A 43 71.616 -1.659 4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 43 71.527 0.057 4.475 1.00 0.00 H new ATOM 743 N GLN A 44 66.830 2.483 5.196 1.00 0.00 N ATOM 744 CA GLN A 44 66.177 3.817 5.164 1.00 0.00 C ATOM 745 C GLN A 44 64.843 3.774 5.931 1.00 0.00 C ATOM 746 O GLN A 44 64.440 4.760 6.522 1.00 0.00 O ATOM 747 CB GLN A 44 65.949 4.221 3.700 1.00 0.00 C ATOM 748 CG GLN A 44 67.036 5.199 3.230 1.00 0.00 C ATOM 749 CD GLN A 44 66.988 6.476 4.072 1.00 0.00 C ATOM 750 OE1 GLN A 44 66.039 7.232 3.998 1.00 0.00 O ATOM 751 NE2 GLN A 44 67.980 6.752 4.874 1.00 0.00 N ATOM 0 H GLN A 44 66.781 1.962 4.320 1.00 0.00 H new ATOM 0 HA GLN A 44 66.818 4.555 5.647 1.00 0.00 H new ATOM 0 HB2 GLN A 44 65.954 3.333 3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 44 64.967 4.683 3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 44 68.018 4.733 3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 44 66.889 5.441 2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 44 68.777 6.118 4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 44 67.959 7.602 5.438 1.00 0.00 H new ATOM 760 N LEU A 45 64.160 2.647 5.947 1.00 0.00 N ATOM 761 CA LEU A 45 62.863 2.572 6.707 1.00 0.00 C ATOM 762 C LEU A 45 62.798 1.295 7.573 1.00 0.00 C ATOM 763 O LEU A 45 61.733 0.833 7.932 1.00 0.00 O ATOM 764 CB LEU A 45 61.666 2.668 5.733 1.00 0.00 C ATOM 765 CG LEU A 45 61.397 1.351 5.005 1.00 0.00 C ATOM 766 CD1 LEU A 45 60.003 1.400 4.376 1.00 0.00 C ATOM 767 CD2 LEU A 45 62.439 1.169 3.915 1.00 0.00 C ATOM 0 H LEU A 45 64.439 1.788 5.474 1.00 0.00 H new ATOM 0 HA LEU A 45 62.809 3.421 7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 45 60.774 2.962 6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 45 61.860 3.451 5.000 1.00 0.00 H new ATOM 0 HG LEU A 45 61.450 0.519 5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 45 59.806 0.463 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 45 59.256 1.545 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 45 59.952 2.227 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 45 62.256 0.232 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 45 62.377 1.998 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 45 63.433 1.146 4.362 1.00 0.00 H new ATOM 779 N GLY A 46 63.937 0.757 7.933 1.00 0.00 N ATOM 780 CA GLY A 46 64.003 -0.465 8.809 1.00 0.00 C ATOM 781 C GLY A 46 62.952 -1.537 8.450 1.00 0.00 C ATOM 782 O GLY A 46 62.488 -2.251 9.319 1.00 0.00 O ATOM 0 H GLY A 46 64.848 1.119 7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 46 64.998 -0.903 8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 46 63.865 -0.166 9.848 1.00 0.00 H new ATOM 786 N LEU A 47 62.585 -1.674 7.198 1.00 0.00 N ATOM 787 CA LEU A 47 61.574 -2.731 6.831 1.00 0.00 C ATOM 788 C LEU A 47 62.283 -3.965 6.249 1.00 0.00 C ATOM 789 O LEU A 47 63.488 -3.990 6.087 1.00 0.00 O ATOM 790 CB LEU A 47 60.523 -2.176 5.820 1.00 0.00 C ATOM 791 CG LEU A 47 60.898 -2.459 4.347 1.00 0.00 C ATOM 792 CD1 LEU A 47 59.901 -1.771 3.413 1.00 0.00 C ATOM 793 CD2 LEU A 47 62.304 -1.951 4.048 1.00 0.00 C ATOM 0 H LEU A 47 62.932 -1.112 6.421 1.00 0.00 H new ATOM 0 HA LEU A 47 61.044 -3.025 7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 47 59.551 -2.620 6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 47 60.421 -1.100 5.964 1.00 0.00 H new ATOM 0 HG LEU A 47 60.867 -3.536 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 47 60.172 -1.975 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 47 58.898 -2.151 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 47 59.921 -0.695 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 47 62.552 -2.158 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 47 62.348 -0.876 4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 47 63.019 -2.455 4.699 1.00 0.00 H new ATOM 805 N GLU A 48 61.518 -4.969 5.905 1.00 0.00 N ATOM 806 CA GLU A 48 62.096 -6.196 5.296 1.00 0.00 C ATOM 807 C GLU A 48 62.086 -6.027 3.774 1.00 0.00 C ATOM 808 O GLU A 48 61.181 -5.443 3.213 1.00 0.00 O ATOM 809 CB GLU A 48 61.251 -7.410 5.685 1.00 0.00 C ATOM 810 CG GLU A 48 62.115 -8.673 5.637 1.00 0.00 C ATOM 811 CD GLU A 48 61.687 -9.627 6.753 1.00 0.00 C ATOM 812 OE1 GLU A 48 60.521 -9.983 6.787 1.00 0.00 O ATOM 813 OE2 GLU A 48 62.534 -9.986 7.556 1.00 0.00 O ATOM 0 H GLU A 48 60.505 -4.987 6.023 1.00 0.00 H new ATOM 0 HA GLU A 48 63.115 -6.349 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 48 60.841 -7.275 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 48 60.405 -7.510 5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 48 62.011 -9.161 4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 48 63.167 -8.411 5.751 1.00 0.00 H new ATOM 820 N LYS A 49 63.082 -6.533 3.101 1.00 0.00 N ATOM 821 CA LYS A 49 63.139 -6.399 1.609 1.00 0.00 C ATOM 822 C LYS A 49 61.858 -6.950 0.967 1.00 0.00 C ATOM 823 O LYS A 49 61.519 -6.601 -0.149 1.00 0.00 O ATOM 824 CB LYS A 49 64.342 -7.175 1.072 1.00 0.00 C ATOM 825 CG LYS A 49 65.635 -6.551 1.601 1.00 0.00 C ATOM 826 CD LYS A 49 66.718 -7.627 1.689 1.00 0.00 C ATOM 827 CE LYS A 49 67.157 -8.029 0.278 1.00 0.00 C ATOM 828 NZ LYS A 49 68.275 -9.009 0.367 1.00 0.00 N ATOM 0 H LYS A 49 63.865 -7.037 3.518 1.00 0.00 H new ATOM 0 HA LYS A 49 63.234 -5.342 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 49 64.279 -8.219 1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 49 64.339 -7.161 -0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 49 65.959 -5.746 0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 49 65.464 -6.110 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 49 67.572 -7.253 2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 49 66.338 -8.497 2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 49 66.319 -8.466 -0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 49 67.474 -7.148 -0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 68.574 -9.283 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 69.076 -8.577 0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 67.956 -9.853 0.885 1.00 0.00 H new ATOM 842 N ASP A 50 61.153 -7.814 1.655 1.00 0.00 N ATOM 843 CA ASP A 50 59.905 -8.398 1.081 1.00 0.00 C ATOM 844 C ASP A 50 58.790 -7.348 1.035 1.00 0.00 C ATOM 845 O ASP A 50 58.035 -7.289 0.077 1.00 0.00 O ATOM 846 CB ASP A 50 59.456 -9.580 1.945 1.00 0.00 C ATOM 847 CG ASP A 50 58.647 -10.561 1.094 1.00 0.00 C ATOM 848 OD1 ASP A 50 59.230 -11.170 0.211 1.00 0.00 O ATOM 849 OD2 ASP A 50 57.459 -10.689 1.341 1.00 0.00 O ATOM 0 H ASP A 50 61.390 -8.140 2.592 1.00 0.00 H new ATOM 0 HA ASP A 50 60.109 -8.735 0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 50 60.324 -10.083 2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 50 58.853 -9.224 2.780 1.00 0.00 H new ATOM 854 N VAL A 51 58.674 -6.516 2.046 1.00 0.00 N ATOM 855 CA VAL A 51 57.596 -5.484 2.026 1.00 0.00 C ATOM 856 C VAL A 51 58.043 -4.305 1.154 1.00 0.00 C ATOM 857 O VAL A 51 57.227 -3.558 0.647 1.00 0.00 O ATOM 858 CB VAL A 51 57.294 -5.013 3.459 1.00 0.00 C ATOM 859 CG1 VAL A 51 58.532 -4.344 4.073 1.00 0.00 C ATOM 860 CG2 VAL A 51 56.128 -4.017 3.432 1.00 0.00 C ATOM 0 H VAL A 51 59.273 -6.509 2.872 1.00 0.00 H new ATOM 0 HA VAL A 51 56.685 -5.912 1.607 1.00 0.00 H new ATOM 0 HB VAL A 51 57.025 -5.876 4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 51 58.303 -4.016 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 51 59.356 -5.058 4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 51 58.818 -3.483 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 51 55.912 -3.682 4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 51 56.397 -3.159 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 51 55.245 -4.501 3.014 1.00 0.00 H new ATOM 870 N VAL A 52 59.331 -4.137 0.976 1.00 0.00 N ATOM 871 CA VAL A 52 59.829 -3.016 0.140 1.00 0.00 C ATOM 872 C VAL A 52 59.696 -3.393 -1.346 1.00 0.00 C ATOM 873 O VAL A 52 59.559 -2.536 -2.199 1.00 0.00 O ATOM 874 CB VAL A 52 61.293 -2.697 0.546 1.00 0.00 C ATOM 875 CG1 VAL A 52 62.323 -3.424 -0.337 1.00 0.00 C ATOM 876 CG2 VAL A 52 61.507 -1.186 0.453 1.00 0.00 C ATOM 0 H VAL A 52 60.055 -4.733 1.377 1.00 0.00 H new ATOM 0 HA VAL A 52 59.238 -2.114 0.300 1.00 0.00 H new ATOM 0 HB VAL A 52 61.445 -3.050 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 52 63.330 -3.165 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 52 62.179 -4.501 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 52 62.190 -3.121 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 52 62.532 -0.946 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 52 61.325 -0.855 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 52 60.816 -0.679 1.127 1.00 0.00 H new ATOM 886 N ARG A 53 59.731 -4.669 -1.654 1.00 0.00 N ATOM 887 CA ARG A 53 59.599 -5.099 -3.075 1.00 0.00 C ATOM 888 C ARG A 53 58.126 -5.041 -3.478 1.00 0.00 C ATOM 889 O ARG A 53 57.782 -4.511 -4.518 1.00 0.00 O ATOM 890 CB ARG A 53 60.120 -6.527 -3.235 1.00 0.00 C ATOM 891 CG ARG A 53 60.507 -6.762 -4.697 1.00 0.00 C ATOM 892 CD ARG A 53 59.301 -7.296 -5.476 1.00 0.00 C ATOM 893 NE ARG A 53 59.509 -8.739 -5.782 1.00 0.00 N ATOM 894 CZ ARG A 53 58.513 -9.577 -5.683 1.00 0.00 C ATOM 895 NH1 ARG A 53 57.593 -9.607 -6.608 1.00 0.00 N ATOM 896 NH2 ARG A 53 58.438 -10.384 -4.660 1.00 0.00 N ATOM 0 H ARG A 53 59.845 -5.427 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 53 60.182 -4.436 -3.714 1.00 0.00 H new ATOM 0 HB2 ARG A 53 60.983 -6.686 -2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 53 59.356 -7.242 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 53 60.856 -5.831 -5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 53 61.332 -7.473 -4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 53 58.390 -7.164 -4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 53 59.172 -6.732 -6.400 1.00 0.00 H new ATOM 0 HE ARG A 53 60.429 -9.072 -6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 53 57.653 -8.976 -7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 53 56.814 -10.261 -6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 53 59.158 -10.360 -3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 53 57.660 -11.039 -4.583 1.00 0.00 H new ATOM 910 N VAL A 54 57.253 -5.570 -2.656 1.00 0.00 N ATOM 911 CA VAL A 54 55.795 -5.531 -2.983 1.00 0.00 C ATOM 912 C VAL A 54 55.324 -4.079 -2.954 1.00 0.00 C ATOM 913 O VAL A 54 54.435 -3.692 -3.688 1.00 0.00 O ATOM 914 CB VAL A 54 55.011 -6.352 -1.953 1.00 0.00 C ATOM 915 CG1 VAL A 54 53.534 -6.403 -2.353 1.00 0.00 C ATOM 916 CG2 VAL A 54 55.572 -7.777 -1.897 1.00 0.00 C ATOM 0 H VAL A 54 57.487 -6.026 -1.774 1.00 0.00 H new ATOM 0 HA VAL A 54 55.626 -5.955 -3.973 1.00 0.00 H new ATOM 0 HB VAL A 54 55.106 -5.885 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 54 52.978 -6.987 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 54 53.132 -5.391 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 54 53.439 -6.868 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 54 55.013 -8.359 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 54 55.479 -8.243 -2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 54 56.623 -7.743 -1.609 1.00 0.00 H new ATOM 926 N TRP A 55 55.925 -3.271 -2.118 1.00 0.00 N ATOM 927 CA TRP A 55 55.530 -1.838 -2.045 1.00 0.00 C ATOM 928 C TRP A 55 56.044 -1.123 -3.302 1.00 0.00 C ATOM 929 O TRP A 55 55.387 -0.241 -3.824 1.00 0.00 O ATOM 930 CB TRP A 55 56.113 -1.215 -0.760 1.00 0.00 C ATOM 931 CG TRP A 55 55.911 0.267 -0.766 1.00 0.00 C ATOM 932 CD1 TRP A 55 54.885 0.931 -0.177 1.00 0.00 C ATOM 933 CD2 TRP A 55 56.736 1.275 -1.410 1.00 0.00 C ATOM 934 NE1 TRP A 55 55.043 2.277 -0.410 1.00 0.00 N ATOM 935 CE2 TRP A 55 56.163 2.541 -1.178 1.00 0.00 C ATOM 936 CE3 TRP A 55 57.920 1.210 -2.167 1.00 0.00 C ATOM 937 CZ2 TRP A 55 56.741 3.704 -1.689 1.00 0.00 C ATOM 938 CZ3 TRP A 55 58.504 2.376 -2.677 1.00 0.00 C ATOM 939 CH2 TRP A 55 57.914 3.618 -2.445 1.00 0.00 C ATOM 0 H TRP A 55 56.674 -3.546 -1.482 1.00 0.00 H new ATOM 0 HA TRP A 55 54.446 -1.735 -2.006 1.00 0.00 H new ATOM 0 HB2 TRP A 55 55.631 -1.651 0.115 1.00 0.00 H new ATOM 0 HB3 TRP A 55 57.176 -1.444 -0.686 1.00 0.00 H new ATOM 0 HD1 TRP A 55 54.079 0.478 0.381 1.00 0.00 H new ATOM 0 HE1 TRP A 55 54.410 2.995 -0.058 1.00 0.00 H new ATOM 0 HE3 TRP A 55 58.382 0.253 -2.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 56.285 4.665 -1.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 59.416 2.313 -3.253 1.00 0.00 H new ATOM 0 HH2 TRP A 55 58.363 4.513 -2.849 1.00 0.00 H new ATOM 950 N PHE A 56 57.192 -1.504 -3.810 1.00 0.00 N ATOM 951 CA PHE A 56 57.691 -0.840 -5.049 1.00 0.00 C ATOM 952 C PHE A 56 57.054 -1.498 -6.276 1.00 0.00 C ATOM 953 O PHE A 56 57.156 -0.984 -7.372 1.00 0.00 O ATOM 954 CB PHE A 56 59.219 -0.918 -5.156 1.00 0.00 C ATOM 955 CG PHE A 56 59.709 0.204 -6.056 1.00 0.00 C ATOM 956 CD1 PHE A 56 59.299 1.523 -5.821 1.00 0.00 C ATOM 957 CD2 PHE A 56 60.563 -0.072 -7.131 1.00 0.00 C ATOM 958 CE1 PHE A 56 59.733 2.558 -6.648 1.00 0.00 C ATOM 959 CE2 PHE A 56 60.999 0.969 -7.963 1.00 0.00 C ATOM 960 CZ PHE A 56 60.582 2.284 -7.718 1.00 0.00 C ATOM 0 H PHE A 56 57.794 -2.233 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 56 57.412 0.213 -5.003 1.00 0.00 H new ATOM 0 HB2 PHE A 56 59.671 -0.832 -4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 56 59.519 -1.884 -5.561 1.00 0.00 H new ATOM 0 HD1 PHE A 56 58.641 1.740 -4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 56 60.885 -1.085 -7.319 1.00 0.00 H new ATOM 0 HE1 PHE A 56 59.411 3.572 -6.459 1.00 0.00 H new ATOM 0 HE2 PHE A 56 61.657 0.757 -8.793 1.00 0.00 H new ATOM 0 HZ PHE A 56 60.919 3.085 -8.359 1.00 0.00 H new ATOM 970 N CYS A 57 56.374 -2.615 -6.107 1.00 0.00 N ATOM 971 CA CYS A 57 55.709 -3.264 -7.270 1.00 0.00 C ATOM 972 C CYS A 57 54.592 -2.334 -7.724 1.00 0.00 C ATOM 973 O CYS A 57 54.423 -2.074 -8.901 1.00 0.00 O ATOM 974 CB CYS A 57 55.126 -4.616 -6.847 1.00 0.00 C ATOM 975 SG CYS A 57 55.232 -5.785 -8.226 1.00 0.00 S ATOM 0 H CYS A 57 56.256 -3.096 -5.215 1.00 0.00 H new ATOM 0 HA CYS A 57 56.419 -3.439 -8.078 1.00 0.00 H new ATOM 0 HB2 CYS A 57 55.670 -5.004 -5.986 1.00 0.00 H new ATOM 0 HB3 CYS A 57 54.087 -4.495 -6.539 1.00 0.00 H new ATOM 0 HG CYS A 57 54.738 -6.931 -7.862 1.00 0.00 H new ATOM 981 N ASN A 58 53.851 -1.803 -6.783 1.00 0.00 N ATOM 982 CA ASN A 58 52.765 -0.851 -7.144 1.00 0.00 C ATOM 983 C ASN A 58 53.413 0.453 -7.619 1.00 0.00 C ATOM 984 O ASN A 58 52.981 1.045 -8.588 1.00 0.00 O ATOM 985 CB ASN A 58 51.851 -0.589 -5.939 1.00 0.00 C ATOM 986 CG ASN A 58 52.649 -0.012 -4.766 1.00 0.00 C ATOM 987 OD1 ASN A 58 53.077 1.124 -4.805 1.00 0.00 O ATOM 988 ND2 ASN A 58 52.857 -0.751 -3.711 1.00 0.00 N ATOM 0 H ASN A 58 53.953 -1.989 -5.785 1.00 0.00 H new ATOM 0 HA ASN A 58 52.149 -1.274 -7.937 1.00 0.00 H new ATOM 0 HB2 ASN A 58 51.059 0.104 -6.222 1.00 0.00 H new ATOM 0 HB3 ASN A 58 51.368 -1.518 -5.634 1.00 0.00 H new ATOM 0 HD21 ASN A 58 53.379 -0.375 -2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 58 52.498 -1.705 -3.678 1.00 0.00 H new ATOM 995 N ARG A 59 54.466 0.891 -6.958 1.00 0.00 N ATOM 996 CA ARG A 59 55.158 2.151 -7.399 1.00 0.00 C ATOM 997 C ARG A 59 55.699 1.962 -8.825 1.00 0.00 C ATOM 998 O ARG A 59 55.966 2.920 -9.525 1.00 0.00 O ATOM 999 CB ARG A 59 56.336 2.473 -6.458 1.00 0.00 C ATOM 1000 CG ARG A 59 56.319 3.956 -6.081 1.00 0.00 C ATOM 1001 CD ARG A 59 56.695 4.803 -7.302 1.00 0.00 C ATOM 1002 NE ARG A 59 55.463 5.398 -7.890 1.00 0.00 N ATOM 1003 CZ ARG A 59 55.536 6.112 -8.982 1.00 0.00 C ATOM 1004 NH1 ARG A 59 56.333 5.751 -9.952 1.00 0.00 N ATOM 1005 NH2 ARG A 59 54.808 7.188 -9.105 1.00 0.00 N ATOM 0 H ARG A 59 54.872 0.435 -6.141 1.00 0.00 H new ATOM 0 HA ARG A 59 54.442 2.972 -7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 59 56.271 1.861 -5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 59 57.279 2.225 -6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 59 55.330 4.238 -5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 59 57.020 4.142 -5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 59 57.390 5.591 -7.012 1.00 0.00 H new ATOM 0 HD3 ARG A 59 57.204 4.187 -8.043 1.00 0.00 H new ATOM 0 HE ARG A 59 54.560 5.248 -7.439 1.00 0.00 H new ATOM 0 HH11 ARG A 59 56.901 4.909 -9.859 1.00 0.00 H new ATOM 0 HH12 ARG A 59 56.387 6.311 -10.803 1.00 0.00 H new ATOM 0 HH21 ARG A 59 54.183 7.470 -8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 59 54.864 7.747 -9.957 1.00 0.00 H new ATOM 1019 N ARG A 60 55.873 0.734 -9.252 1.00 0.00 N ATOM 1020 CA ARG A 60 56.407 0.473 -10.618 1.00 0.00 C ATOM 1021 C ARG A 60 55.270 0.528 -11.638 1.00 0.00 C ATOM 1022 O ARG A 60 55.447 0.988 -12.751 1.00 0.00 O ATOM 1023 CB ARG A 60 57.045 -0.918 -10.644 1.00 0.00 C ATOM 1024 CG ARG A 60 58.532 -0.813 -10.301 1.00 0.00 C ATOM 1025 CD ARG A 60 59.125 -2.220 -10.179 1.00 0.00 C ATOM 1026 NE ARG A 60 59.437 -2.746 -11.538 1.00 0.00 N ATOM 1027 CZ ARG A 60 58.749 -3.740 -12.029 1.00 0.00 C ATOM 1028 NH1 ARG A 60 58.725 -4.887 -11.406 1.00 0.00 N ATOM 1029 NH2 ARG A 60 58.086 -3.587 -13.144 1.00 0.00 N ATOM 0 H ARG A 60 55.665 -0.102 -8.706 1.00 0.00 H new ATOM 0 HA ARG A 60 57.150 1.229 -10.870 1.00 0.00 H new ATOM 0 HB2 ARG A 60 56.543 -1.572 -9.930 1.00 0.00 H new ATOM 0 HB3 ARG A 60 56.921 -1.367 -11.630 1.00 0.00 H new ATOM 0 HG2 ARG A 60 59.056 -0.251 -11.074 1.00 0.00 H new ATOM 0 HG3 ARG A 60 58.664 -0.268 -9.366 1.00 0.00 H new ATOM 0 HD2 ARG A 60 60.029 -2.194 -9.571 1.00 0.00 H new ATOM 0 HD3 ARG A 60 58.420 -2.881 -9.674 1.00 0.00 H new ATOM 0 HE ARG A 60 60.190 -2.328 -12.085 1.00 0.00 H new ATOM 0 HH11 ARG A 60 59.244 -5.006 -10.536 1.00 0.00 H new ATOM 0 HH12 ARG A 60 58.187 -5.664 -11.789 1.00 0.00 H new ATOM 0 HH21 ARG A 60 58.106 -2.691 -13.631 1.00 0.00 H new ATOM 0 HH22 ARG A 60 57.548 -4.364 -13.528 1.00 0.00 H new ATOM 1043 N GLN A 61 54.108 0.051 -11.271 1.00 0.00 N ATOM 1044 CA GLN A 61 52.958 0.062 -12.223 1.00 0.00 C ATOM 1045 C GLN A 61 51.844 0.970 -11.694 1.00 0.00 C ATOM 1046 O GLN A 61 50.718 0.544 -11.506 1.00 0.00 O ATOM 1047 CB GLN A 61 52.431 -1.367 -12.394 1.00 0.00 C ATOM 1048 CG GLN A 61 52.120 -1.966 -11.020 1.00 0.00 C ATOM 1049 CD GLN A 61 50.957 -2.952 -11.143 1.00 0.00 C ATOM 1050 OE1 GLN A 61 50.025 -2.911 -10.364 1.00 0.00 O ATOM 1051 NE2 GLN A 61 50.971 -3.844 -12.096 1.00 0.00 N ATOM 0 H GLN A 61 53.906 -0.345 -10.353 1.00 0.00 H new ATOM 0 HA GLN A 61 53.291 0.446 -13.187 1.00 0.00 H new ATOM 0 HB2 GLN A 61 51.533 -1.363 -13.012 1.00 0.00 H new ATOM 0 HB3 GLN A 61 53.171 -1.979 -12.910 1.00 0.00 H new ATOM 0 HG2 GLN A 61 53.000 -2.473 -10.625 1.00 0.00 H new ATOM 0 HG3 GLN A 61 51.866 -1.174 -10.316 1.00 0.00 H new ATOM 0 HE21 GLN A 61 51.753 -3.879 -12.750 1.00 0.00 H new ATOM 0 HE22 GLN A 61 50.200 -4.506 -12.186 1.00 0.00 H new