USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=7 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 Set 1.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 44 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.8!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 25 THR OG1 : rot 65:sc= 0.682 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 25:sc= 0.0356 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0939 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 39 THR OG1 : rot 67:sc= 1.22 USER MOD Single : A 40 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=0.0013) USER MOD Single : A 43 ASN : amide:sc= -0.0776 X(o=-0.078,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc=-0.00979 (180deg=-0.259) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 252 N ILE A 15 56.658 9.242 0.412 1.00 0.00 N ATOM 253 CA ILE A 15 57.154 7.915 0.880 1.00 0.00 C ATOM 254 C ILE A 15 58.096 8.139 2.062 1.00 0.00 C ATOM 255 O ILE A 15 59.298 7.973 1.955 1.00 0.00 O ATOM 256 CB ILE A 15 57.886 7.184 -0.267 1.00 0.00 C ATOM 257 CG1 ILE A 15 56.864 6.744 -1.330 1.00 0.00 C ATOM 258 CG2 ILE A 15 58.621 5.940 0.271 1.00 0.00 C ATOM 259 CD1 ILE A 15 55.854 5.753 -0.724 1.00 0.00 C ATOM 0 HA ILE A 15 56.316 7.293 1.193 1.00 0.00 H new ATOM 0 HB ILE A 15 58.614 7.866 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 15 56.339 7.615 -1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 15 57.380 6.279 -2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 15 59.132 5.436 -0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 15 59.351 6.245 1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 15 57.900 5.259 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 15 55.138 5.451 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 15 56.383 4.874 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 15 55.325 6.231 0.101 1.00 0.00 H new ATOM 271 N GLU A 16 57.552 8.494 3.195 1.00 0.00 N ATOM 272 CA GLU A 16 58.394 8.704 4.394 1.00 0.00 C ATOM 273 C GLU A 16 59.006 7.363 4.780 1.00 0.00 C ATOM 274 O GLU A 16 58.462 6.318 4.477 1.00 0.00 O ATOM 275 CB GLU A 16 57.530 9.228 5.543 1.00 0.00 C ATOM 276 CG GLU A 16 58.429 9.815 6.633 1.00 0.00 C ATOM 277 CD GLU A 16 57.622 10.793 7.489 1.00 0.00 C ATOM 278 OE1 GLU A 16 56.978 11.657 6.918 1.00 0.00 O ATOM 279 OE2 GLU A 16 57.662 10.660 8.700 1.00 0.00 O ATOM 0 H GLU A 16 56.553 8.647 3.336 1.00 0.00 H new ATOM 0 HA GLU A 16 59.178 9.432 4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 16 56.841 9.989 5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 16 56.923 8.421 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 16 58.832 9.016 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 16 59.279 10.326 6.182 1.00 0.00 H new ATOM 286 N ASN A 17 60.130 7.380 5.435 1.00 0.00 N ATOM 287 CA ASN A 17 60.780 6.098 5.839 1.00 0.00 C ATOM 288 C ASN A 17 59.832 5.311 6.748 1.00 0.00 C ATOM 289 O ASN A 17 59.914 4.100 6.840 1.00 0.00 O ATOM 290 CB ASN A 17 62.086 6.393 6.580 1.00 0.00 C ATOM 291 CG ASN A 17 63.018 5.184 6.476 1.00 0.00 C ATOM 292 OD1 ASN A 17 63.473 4.843 5.402 1.00 0.00 O ATOM 293 ND2 ASN A 17 63.323 4.517 7.556 1.00 0.00 N ATOM 0 H ASN A 17 60.630 8.225 5.710 1.00 0.00 H new ATOM 0 HA ASN A 17 61.001 5.507 4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 17 62.567 7.274 6.154 1.00 0.00 H new ATOM 0 HB3 ASN A 17 61.880 6.617 7.627 1.00 0.00 H new ATOM 0 HD21 ASN A 17 63.943 3.709 7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 17 62.941 4.803 8.457 1.00 0.00 H new ATOM 300 N ARG A 18 58.922 5.989 7.404 1.00 0.00 N ATOM 301 CA ARG A 18 57.957 5.284 8.287 1.00 0.00 C ATOM 302 C ARG A 18 56.815 4.732 7.432 1.00 0.00 C ATOM 303 O ARG A 18 56.229 3.716 7.754 1.00 0.00 O ATOM 304 CB ARG A 18 57.404 6.259 9.326 1.00 0.00 C ATOM 305 CG ARG A 18 58.540 6.728 10.235 1.00 0.00 C ATOM 306 CD ARG A 18 58.067 7.916 11.073 1.00 0.00 C ATOM 307 NE ARG A 18 57.289 7.418 12.240 1.00 0.00 N ATOM 308 CZ ARG A 18 57.325 8.066 13.372 1.00 0.00 C ATOM 309 NH1 ARG A 18 58.473 8.417 13.886 1.00 0.00 N ATOM 310 NH2 ARG A 18 56.215 8.364 13.989 1.00 0.00 N ATOM 0 H ARG A 18 58.810 7.002 7.362 1.00 0.00 H new ATOM 0 HA ARG A 18 58.457 4.465 8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.943 7.114 8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.626 5.776 9.917 1.00 0.00 H new ATOM 0 HG2 ARG A 18 58.858 5.914 10.886 1.00 0.00 H new ATOM 0 HG3 ARG A 18 59.405 7.014 9.636 1.00 0.00 H new ATOM 0 HD2 ARG A 18 58.923 8.498 11.414 1.00 0.00 H new ATOM 0 HD3 ARG A 18 57.450 8.580 10.467 1.00 0.00 H new ATOM 0 HE ARG A 18 56.728 6.570 12.155 1.00 0.00 H new ATOM 0 HH11 ARG A 18 59.341 8.185 13.403 1.00 0.00 H new ATOM 0 HH12 ARG A 18 58.502 8.924 14.771 1.00 0.00 H new ATOM 0 HH21 ARG A 18 55.319 8.090 13.587 1.00 0.00 H new ATOM 0 HH22 ARG A 18 56.244 8.871 14.874 1.00 0.00 H new ATOM 324 N VAL A 19 56.496 5.393 6.340 1.00 0.00 N ATOM 325 CA VAL A 19 55.392 4.894 5.467 1.00 0.00 C ATOM 326 C VAL A 19 55.790 3.544 4.883 1.00 0.00 C ATOM 327 O VAL A 19 54.999 2.628 4.839 1.00 0.00 O ATOM 328 CB VAL A 19 55.051 5.929 4.353 1.00 0.00 C ATOM 329 CG1 VAL A 19 55.716 5.621 2.995 1.00 0.00 C ATOM 330 CG2 VAL A 19 53.537 5.926 4.154 1.00 0.00 C ATOM 0 H VAL A 19 56.951 6.249 6.022 1.00 0.00 H new ATOM 0 HA VAL A 19 54.487 4.764 6.061 1.00 0.00 H new ATOM 0 HB VAL A 19 55.432 6.895 4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 19 55.433 6.384 2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 19 56.800 5.617 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 19 55.386 4.644 2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 19 53.271 6.643 3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 19 53.211 4.930 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 19 53.047 6.203 5.087 1.00 0.00 H new ATOM 340 N ARG A 20 57.003 3.431 4.408 1.00 0.00 N ATOM 341 CA ARG A 20 57.452 2.138 3.812 1.00 0.00 C ATOM 342 C ARG A 20 57.411 1.049 4.877 1.00 0.00 C ATOM 343 O ARG A 20 56.975 -0.059 4.623 1.00 0.00 O ATOM 344 CB ARG A 20 58.877 2.282 3.273 1.00 0.00 C ATOM 345 CG ARG A 20 58.888 3.284 2.114 1.00 0.00 C ATOM 346 CD ARG A 20 60.169 4.126 2.163 1.00 0.00 C ATOM 347 NE ARG A 20 60.938 3.932 0.902 1.00 0.00 N ATOM 348 CZ ARG A 20 62.004 4.649 0.672 1.00 0.00 C ATOM 349 NH1 ARG A 20 62.893 4.815 1.613 1.00 0.00 N ATOM 350 NH2 ARG A 20 62.181 5.198 -0.498 1.00 0.00 N ATOM 0 H ARG A 20 57.700 4.176 4.407 1.00 0.00 H new ATOM 0 HA ARG A 20 56.788 1.868 2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 20 59.544 2.620 4.066 1.00 0.00 H new ATOM 0 HB3 ARG A 20 59.248 1.315 2.935 1.00 0.00 H new ATOM 0 HG2 ARG A 20 58.827 2.754 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 20 58.014 3.932 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 20 59.920 5.179 2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 20 60.776 3.835 3.020 1.00 0.00 H new ATOM 0 HE ARG A 20 60.632 3.239 0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 20 62.754 4.385 2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 20 63.726 5.375 1.434 1.00 0.00 H new ATOM 0 HH21 ARG A 20 61.486 5.067 -1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 20 63.014 5.758 -0.678 1.00 0.00 H new ATOM 364 N TRP A 21 57.843 1.354 6.067 1.00 0.00 N ATOM 365 CA TRP A 21 57.809 0.325 7.141 1.00 0.00 C ATOM 366 C TRP A 21 56.418 0.279 7.787 1.00 0.00 C ATOM 367 O TRP A 21 56.107 -0.623 8.541 1.00 0.00 O ATOM 368 CB TRP A 21 58.985 0.545 8.100 1.00 0.00 C ATOM 369 CG TRP A 21 60.231 0.548 7.241 1.00 0.00 C ATOM 370 CD1 TRP A 21 61.277 1.398 7.365 1.00 0.00 C ATOM 371 CD2 TRP A 21 60.537 -0.303 6.082 1.00 0.00 C ATOM 372 NE1 TRP A 21 62.196 1.130 6.355 1.00 0.00 N ATOM 373 CE2 TRP A 21 61.781 0.090 5.540 1.00 0.00 C ATOM 374 CE3 TRP A 21 59.860 -1.368 5.453 1.00 0.00 C ATOM 375 CZ2 TRP A 21 62.319 -0.551 4.408 1.00 0.00 C ATOM 376 CZ3 TRP A 21 60.393 -2.003 4.338 1.00 0.00 C ATOM 377 CH2 TRP A 21 61.616 -1.596 3.807 1.00 0.00 C ATOM 0 H TRP A 21 58.215 2.263 6.341 1.00 0.00 H new ATOM 0 HA TRP A 21 57.954 -0.677 6.737 1.00 0.00 H new ATOM 0 HB2 TRP A 21 58.879 1.488 8.637 1.00 0.00 H new ATOM 0 HB3 TRP A 21 59.030 -0.245 8.849 1.00 0.00 H new ATOM 0 HD1 TRP A 21 61.381 2.160 8.124 1.00 0.00 H new ATOM 0 HE1 TRP A 21 63.071 1.639 6.230 1.00 0.00 H new ATOM 0 HE3 TRP A 21 58.909 -1.696 5.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 63.271 -0.236 4.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 59.855 -2.819 3.879 1.00 0.00 H new ATOM 0 HH2 TRP A 21 62.018 -2.088 2.934 1.00 0.00 H new ATOM 388 N SER A 22 55.536 1.162 7.370 1.00 0.00 N ATOM 389 CA SER A 22 54.125 1.082 7.811 1.00 0.00 C ATOM 390 C SER A 22 53.514 -0.008 6.920 1.00 0.00 C ATOM 391 O SER A 22 52.735 -0.835 7.360 1.00 0.00 O ATOM 392 CB SER A 22 53.417 2.420 7.585 1.00 0.00 C ATOM 393 OG SER A 22 52.044 2.288 7.928 1.00 0.00 O ATOM 0 H SER A 22 55.746 1.935 6.739 1.00 0.00 H new ATOM 0 HA SER A 22 54.029 0.856 8.873 1.00 0.00 H new ATOM 0 HB2 SER A 22 53.882 3.198 8.191 1.00 0.00 H new ATOM 0 HB3 SER A 22 53.516 2.726 6.543 1.00 0.00 H new ATOM 0 HG SER A 22 51.588 3.144 7.786 1.00 0.00 H new ATOM 399 N LEU A 23 53.946 -0.056 5.663 1.00 0.00 N ATOM 400 CA LEU A 23 53.495 -1.131 4.730 1.00 0.00 C ATOM 401 C LEU A 23 53.879 -2.456 5.375 1.00 0.00 C ATOM 402 O LEU A 23 53.097 -3.371 5.475 1.00 0.00 O ATOM 403 CB LEU A 23 54.286 -1.071 3.416 1.00 0.00 C ATOM 404 CG LEU A 23 54.081 0.217 2.637 1.00 0.00 C ATOM 405 CD1 LEU A 23 55.329 0.425 1.767 1.00 0.00 C ATOM 406 CD2 LEU A 23 52.855 0.082 1.730 1.00 0.00 C ATOM 0 H LEU A 23 54.596 0.615 5.255 1.00 0.00 H new ATOM 0 HA LEU A 23 52.428 -1.020 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 23 55.347 -1.187 3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 23 53.996 -1.914 2.789 1.00 0.00 H new ATOM 0 HG LEU A 23 53.927 1.057 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 23 55.221 1.343 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 23 56.209 0.499 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 23 55.444 -0.420 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 23 52.711 1.008 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 23 53.007 -0.742 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 23 51.973 -0.116 2.338 1.00 0.00 H new ATOM 418 N GLU A 24 55.119 -2.536 5.799 1.00 0.00 N ATOM 419 CA GLU A 24 55.642 -3.778 6.444 1.00 0.00 C ATOM 420 C GLU A 24 54.796 -4.130 7.665 1.00 0.00 C ATOM 421 O GLU A 24 54.678 -5.279 8.031 1.00 0.00 O ATOM 422 CB GLU A 24 57.092 -3.539 6.889 1.00 0.00 C ATOM 423 CG GLU A 24 58.019 -4.571 6.240 1.00 0.00 C ATOM 424 CD GLU A 24 59.317 -4.667 7.044 1.00 0.00 C ATOM 425 OE1 GLU A 24 59.242 -4.619 8.261 1.00 0.00 O ATOM 426 OE2 GLU A 24 60.364 -4.786 6.430 1.00 0.00 O ATOM 0 H GLU A 24 55.799 -1.780 5.723 1.00 0.00 H new ATOM 0 HA GLU A 24 55.598 -4.600 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 24 57.405 -2.532 6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 24 57.163 -3.607 7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 24 57.529 -5.544 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 24 58.236 -4.284 5.211 1.00 0.00 H new ATOM 433 N THR A 25 54.220 -3.146 8.301 1.00 0.00 N ATOM 434 CA THR A 25 53.384 -3.420 9.501 1.00 0.00 C ATOM 435 C THR A 25 52.130 -4.175 9.066 1.00 0.00 C ATOM 436 O THR A 25 51.647 -5.052 9.758 1.00 0.00 O ATOM 437 CB THR A 25 52.986 -2.097 10.159 1.00 0.00 C ATOM 438 OG1 THR A 25 54.155 -1.336 10.431 1.00 0.00 O ATOM 439 CG2 THR A 25 52.241 -2.376 11.464 1.00 0.00 C ATOM 0 H THR A 25 54.293 -2.163 8.039 1.00 0.00 H new ATOM 0 HA THR A 25 53.946 -4.020 10.217 1.00 0.00 H new ATOM 0 HB THR A 25 52.335 -1.538 9.487 1.00 0.00 H new ATOM 0 HG1 THR A 25 54.589 -1.090 9.587 1.00 0.00 H new ATOM 0 HG21 THR A 25 51.959 -1.432 11.931 1.00 0.00 H new ATOM 0 HG22 THR A 25 51.345 -2.959 11.254 1.00 0.00 H new ATOM 0 HG23 THR A 25 52.888 -2.936 12.140 1.00 0.00 H new ATOM 447 N MET A 26 51.595 -3.827 7.925 1.00 0.00 N ATOM 448 CA MET A 26 50.355 -4.508 7.432 1.00 0.00 C ATOM 449 C MET A 26 50.688 -5.829 6.709 1.00 0.00 C ATOM 450 O MET A 26 49.848 -6.702 6.604 1.00 0.00 O ATOM 451 CB MET A 26 49.615 -3.578 6.465 1.00 0.00 C ATOM 452 CG MET A 26 48.553 -2.784 7.229 1.00 0.00 C ATOM 453 SD MET A 26 47.503 -1.894 6.052 1.00 0.00 S ATOM 454 CE MET A 26 46.883 -0.640 7.200 1.00 0.00 C ATOM 0 H MET A 26 51.962 -3.100 7.311 1.00 0.00 H new ATOM 0 HA MET A 26 49.728 -4.737 8.294 1.00 0.00 H new ATOM 0 HB2 MET A 26 50.320 -2.897 5.988 1.00 0.00 H new ATOM 0 HB3 MET A 26 49.147 -4.160 5.671 1.00 0.00 H new ATOM 0 HG2 MET A 26 47.948 -3.457 7.837 1.00 0.00 H new ATOM 0 HG3 MET A 26 49.030 -2.081 7.911 1.00 0.00 H new ATOM 0 HE1 MET A 26 46.203 0.030 6.674 1.00 0.00 H new ATOM 0 HE2 MET A 26 46.353 -1.127 8.019 1.00 0.00 H new ATOM 0 HE3 MET A 26 47.720 -0.067 7.600 1.00 0.00 H new ATOM 464 N PHE A 27 51.890 -5.982 6.202 1.00 0.00 N ATOM 465 CA PHE A 27 52.247 -7.248 5.479 1.00 0.00 C ATOM 466 C PHE A 27 52.849 -8.276 6.446 1.00 0.00 C ATOM 467 O PHE A 27 52.897 -9.455 6.148 1.00 0.00 O ATOM 468 CB PHE A 27 53.264 -6.953 4.365 1.00 0.00 C ATOM 469 CG PHE A 27 52.593 -6.171 3.261 1.00 0.00 C ATOM 470 CD1 PHE A 27 51.475 -6.705 2.608 1.00 0.00 C ATOM 471 CD2 PHE A 27 53.091 -4.917 2.886 1.00 0.00 C ATOM 472 CE1 PHE A 27 50.854 -5.985 1.582 1.00 0.00 C ATOM 473 CE2 PHE A 27 52.470 -4.197 1.858 1.00 0.00 C ATOM 474 CZ PHE A 27 51.352 -4.731 1.206 1.00 0.00 C ATOM 0 H PHE A 27 52.636 -5.289 6.257 1.00 0.00 H new ATOM 0 HA PHE A 27 51.334 -7.657 5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 27 54.104 -6.387 4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 27 53.667 -7.886 3.971 1.00 0.00 H new ATOM 0 HD1 PHE A 27 51.092 -7.673 2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 27 53.953 -4.506 3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 27 49.991 -6.396 1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 27 52.853 -3.230 1.568 1.00 0.00 H new ATOM 0 HZ PHE A 27 50.873 -4.176 0.413 1.00 0.00 H new ATOM 484 N LEU A 28 53.319 -7.843 7.588 1.00 0.00 N ATOM 485 CA LEU A 28 53.928 -8.797 8.561 1.00 0.00 C ATOM 486 C LEU A 28 52.869 -9.326 9.540 1.00 0.00 C ATOM 487 O LEU A 28 53.192 -10.030 10.479 1.00 0.00 O ATOM 488 CB LEU A 28 55.048 -8.089 9.326 1.00 0.00 C ATOM 489 CG LEU A 28 56.187 -7.766 8.355 1.00 0.00 C ATOM 490 CD1 LEU A 28 57.235 -6.900 9.056 1.00 0.00 C ATOM 491 CD2 LEU A 28 56.837 -9.069 7.880 1.00 0.00 C ATOM 0 H LEU A 28 53.307 -6.868 7.888 1.00 0.00 H new ATOM 0 HA LEU A 28 54.338 -9.647 8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 28 54.672 -7.174 9.783 1.00 0.00 H new ATOM 0 HB3 LEU A 28 55.411 -8.723 10.135 1.00 0.00 H new ATOM 0 HG LEU A 28 55.787 -7.224 7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 28 58.043 -6.673 8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.774 -5.971 9.392 1.00 0.00 H new ATOM 0 HD13 LEU A 28 57.636 -7.438 9.915 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.648 -8.840 7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 28 57.234 -9.612 8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 28 56.092 -9.684 7.375 1.00 0.00 H new ATOM 503 N LYS A 29 51.611 -9.014 9.324 1.00 0.00 N ATOM 504 CA LYS A 29 50.545 -9.524 10.236 1.00 0.00 C ATOM 505 C LYS A 29 49.884 -10.733 9.572 1.00 0.00 C ATOM 506 O LYS A 29 49.538 -11.705 10.216 1.00 0.00 O ATOM 507 CB LYS A 29 49.502 -8.422 10.504 1.00 0.00 C ATOM 508 CG LYS A 29 48.764 -8.039 9.211 1.00 0.00 C ATOM 509 CD LYS A 29 48.214 -6.615 9.339 1.00 0.00 C ATOM 510 CE LYS A 29 47.018 -6.599 10.299 1.00 0.00 C ATOM 511 NZ LYS A 29 45.761 -6.419 9.519 1.00 0.00 N ATOM 0 H LYS A 29 51.281 -8.429 8.556 1.00 0.00 H new ATOM 0 HA LYS A 29 50.979 -9.816 11.192 1.00 0.00 H new ATOM 0 HB2 LYS A 29 48.785 -8.768 11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 29 49.994 -7.543 10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 29 49.442 -8.103 8.360 1.00 0.00 H new ATOM 0 HG3 LYS A 29 47.950 -8.739 9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 29 48.994 -5.947 9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 29 47.910 -6.244 8.360 1.00 0.00 H new ATOM 0 HE2 LYS A 29 46.978 -7.530 10.864 1.00 0.00 H new ATOM 0 HE3 LYS A 29 47.129 -5.792 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 44.948 -6.408 10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 45.801 -5.519 8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 45.655 -7.204 8.845 1.00 0.00 H new ATOM 525 N CYS A 30 49.727 -10.669 8.278 1.00 0.00 N ATOM 526 CA CYS A 30 49.115 -11.788 7.526 1.00 0.00 C ATOM 527 C CYS A 30 49.859 -11.933 6.183 1.00 0.00 C ATOM 528 O CYS A 30 50.084 -10.942 5.517 1.00 0.00 O ATOM 529 CB CYS A 30 47.640 -11.477 7.260 1.00 0.00 C ATOM 530 SG CYS A 30 46.631 -12.118 8.619 1.00 0.00 S ATOM 0 H CYS A 30 50.004 -9.872 7.705 1.00 0.00 H new ATOM 0 HA CYS A 30 49.187 -12.712 8.099 1.00 0.00 H new ATOM 0 HB2 CYS A 30 47.496 -10.401 7.163 1.00 0.00 H new ATOM 0 HB3 CYS A 30 47.327 -11.927 6.318 1.00 0.00 H new ATOM 0 HG CYS A 30 47.353 -12.195 9.697 1.00 0.00 H new ATOM 536 N PRO A 31 50.216 -13.147 5.797 1.00 0.00 N ATOM 537 CA PRO A 31 50.917 -13.388 4.524 1.00 0.00 C ATOM 538 C PRO A 31 49.898 -13.562 3.394 1.00 0.00 C ATOM 539 O PRO A 31 50.186 -14.196 2.395 1.00 0.00 O ATOM 540 CB PRO A 31 51.629 -14.720 4.754 1.00 0.00 C ATOM 541 CG PRO A 31 50.828 -15.448 5.859 1.00 0.00 C ATOM 542 CD PRO A 31 49.981 -14.379 6.574 1.00 0.00 C ATOM 0 HA PRO A 31 51.587 -12.573 4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 31 51.656 -15.311 3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 31 52.663 -14.562 5.062 1.00 0.00 H new ATOM 0 HG2 PRO A 31 50.191 -16.221 5.429 1.00 0.00 H new ATOM 0 HG3 PRO A 31 51.500 -15.942 6.561 1.00 0.00 H new ATOM 0 HD2 PRO A 31 48.925 -14.649 6.582 1.00 0.00 H new ATOM 0 HD3 PRO A 31 50.287 -14.258 7.613 1.00 0.00 H new ATOM 550 N LYS A 32 48.700 -13.043 3.552 1.00 0.00 N ATOM 551 CA LYS A 32 47.671 -13.225 2.501 1.00 0.00 C ATOM 552 C LYS A 32 47.105 -11.864 2.028 1.00 0.00 C ATOM 553 O LYS A 32 45.904 -11.666 2.060 1.00 0.00 O ATOM 554 CB LYS A 32 46.536 -14.080 3.077 1.00 0.00 C ATOM 555 CG LYS A 32 46.000 -13.423 4.354 1.00 0.00 C ATOM 556 CD LYS A 32 44.664 -14.063 4.739 1.00 0.00 C ATOM 557 CE LYS A 32 43.573 -13.597 3.774 1.00 0.00 C ATOM 558 NZ LYS A 32 42.242 -14.034 4.282 1.00 0.00 N ATOM 0 H LYS A 32 48.401 -12.504 4.365 1.00 0.00 H new ATOM 0 HA LYS A 32 48.126 -13.716 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 32 45.736 -14.183 2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 32 46.898 -15.084 3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 32 46.719 -13.541 5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 32 45.870 -12.352 4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 32 44.748 -15.149 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 32 44.400 -13.790 5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.598 -12.512 3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 32 43.749 -14.011 2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 41.499 -13.718 3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 42.221 -15.071 4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 42.075 -13.618 5.221 1.00 0.00 H new ATOM 572 N PRO A 33 47.957 -10.958 1.576 1.00 0.00 N ATOM 573 CA PRO A 33 47.489 -9.650 1.085 1.00 0.00 C ATOM 574 C PRO A 33 46.851 -9.825 -0.292 1.00 0.00 C ATOM 575 O PRO A 33 47.386 -10.500 -1.152 1.00 0.00 O ATOM 576 CB PRO A 33 48.759 -8.803 1.005 1.00 0.00 C ATOM 577 CG PRO A 33 49.934 -9.798 0.909 1.00 0.00 C ATOM 578 CD PRO A 33 49.429 -11.131 1.502 1.00 0.00 C ATOM 0 HA PRO A 33 46.736 -9.188 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 33 48.734 -8.145 0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 33 48.859 -8.167 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 33 50.248 -9.928 -0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 33 50.799 -9.431 1.461 1.00 0.00 H new ATOM 0 HD2 PRO A 33 49.700 -11.977 0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 33 49.859 -11.318 2.486 1.00 0.00 H new ATOM 586 N SER A 34 45.708 -9.232 -0.500 1.00 0.00 N ATOM 587 CA SER A 34 45.015 -9.366 -1.808 1.00 0.00 C ATOM 588 C SER A 34 45.448 -8.253 -2.740 1.00 0.00 C ATOM 589 O SER A 34 45.823 -7.181 -2.306 1.00 0.00 O ATOM 590 CB SER A 34 43.505 -9.282 -1.590 1.00 0.00 C ATOM 591 OG SER A 34 43.213 -8.169 -0.756 1.00 0.00 O ATOM 0 H SER A 34 45.222 -8.656 0.187 1.00 0.00 H new ATOM 0 HA SER A 34 45.273 -10.327 -2.253 1.00 0.00 H new ATOM 0 HB2 SER A 34 42.993 -9.179 -2.547 1.00 0.00 H new ATOM 0 HB3 SER A 34 43.140 -10.201 -1.131 1.00 0.00 H new ATOM 0 HG SER A 34 42.245 -8.111 -0.615 1.00 0.00 H new ATOM 597 N LEU A 35 45.356 -8.482 -4.028 1.00 0.00 N ATOM 598 CA LEU A 35 45.706 -7.407 -5.000 1.00 0.00 C ATOM 599 C LEU A 35 44.758 -6.227 -4.755 1.00 0.00 C ATOM 600 O LEU A 35 45.063 -5.093 -5.076 1.00 0.00 O ATOM 601 CB LEU A 35 45.535 -7.926 -6.429 1.00 0.00 C ATOM 602 CG LEU A 35 46.610 -8.982 -6.720 1.00 0.00 C ATOM 603 CD1 LEU A 35 45.968 -10.205 -7.380 1.00 0.00 C ATOM 604 CD2 LEU A 35 47.668 -8.396 -7.661 1.00 0.00 C ATOM 0 H LEU A 35 45.055 -9.363 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 35 46.742 -7.095 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 35 44.542 -8.358 -6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 35 45.617 -7.103 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 35 47.080 -9.279 -5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 35 46.735 -10.952 -7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 35 45.219 -10.628 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 35 45.493 -9.907 -8.315 1.00 0.00 H new ATOM 0 HD21 LEU A 35 48.430 -9.148 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 35 47.196 -8.094 -8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 35 48.132 -7.528 -7.192 1.00 0.00 H new ATOM 616 N GLN A 36 43.620 -6.493 -4.144 1.00 0.00 N ATOM 617 CA GLN A 36 42.668 -5.395 -3.829 1.00 0.00 C ATOM 618 C GLN A 36 43.292 -4.573 -2.706 1.00 0.00 C ATOM 619 O GLN A 36 43.262 -3.359 -2.716 1.00 0.00 O ATOM 620 CB GLN A 36 41.329 -5.980 -3.368 1.00 0.00 C ATOM 621 CG GLN A 36 40.178 -5.119 -3.900 1.00 0.00 C ATOM 622 CD GLN A 36 39.565 -5.785 -5.133 1.00 0.00 C ATOM 623 OE1 GLN A 36 39.861 -5.412 -6.251 1.00 0.00 O ATOM 624 NE2 GLN A 36 38.716 -6.764 -4.976 1.00 0.00 N ATOM 0 H GLN A 36 43.319 -7.424 -3.855 1.00 0.00 H new ATOM 0 HA GLN A 36 42.481 -4.777 -4.707 1.00 0.00 H new ATOM 0 HB2 GLN A 36 41.226 -7.004 -3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 36 41.294 -6.019 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 36 39.419 -4.992 -3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 36 40.543 -4.124 -4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 36 38.467 -7.078 -4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 36 38.302 -7.215 -5.791 1.00 0.00 H new ATOM 633 N GLN A 37 43.888 -5.244 -1.751 1.00 0.00 N ATOM 634 CA GLN A 37 44.558 -4.526 -0.633 1.00 0.00 C ATOM 635 C GLN A 37 45.824 -3.847 -1.168 1.00 0.00 C ATOM 636 O GLN A 37 46.328 -2.930 -0.556 1.00 0.00 O ATOM 637 CB GLN A 37 44.940 -5.514 0.477 1.00 0.00 C ATOM 638 CG GLN A 37 45.643 -4.765 1.627 1.00 0.00 C ATOM 639 CD GLN A 37 45.048 -5.200 2.968 1.00 0.00 C ATOM 640 OE1 GLN A 37 44.936 -6.378 3.242 1.00 0.00 O ATOM 641 NE2 GLN A 37 44.656 -4.292 3.820 1.00 0.00 N ATOM 0 H GLN A 37 43.937 -6.262 -1.701 1.00 0.00 H new ATOM 0 HA GLN A 37 43.877 -3.781 -0.222 1.00 0.00 H new ATOM 0 HB2 GLN A 37 44.048 -6.017 0.851 1.00 0.00 H new ATOM 0 HB3 GLN A 37 45.598 -6.286 0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 37 46.713 -4.973 1.609 1.00 0.00 H new ATOM 0 HG3 GLN A 37 45.525 -3.689 1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 37 44.750 -3.303 3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 37 44.256 -4.572 4.716 1.00 0.00 H new ATOM 650 N ILE A 38 46.339 -4.282 -2.303 1.00 0.00 N ATOM 651 CA ILE A 38 47.560 -3.633 -2.861 1.00 0.00 C ATOM 652 C ILE A 38 47.137 -2.295 -3.466 1.00 0.00 C ATOM 653 O ILE A 38 47.856 -1.319 -3.398 1.00 0.00 O ATOM 654 CB ILE A 38 48.223 -4.551 -3.912 1.00 0.00 C ATOM 655 CG1 ILE A 38 48.897 -5.730 -3.190 1.00 0.00 C ATOM 656 CG2 ILE A 38 49.290 -3.781 -4.715 1.00 0.00 C ATOM 657 CD1 ILE A 38 49.954 -5.213 -2.197 1.00 0.00 C ATOM 0 H ILE A 38 45.964 -5.052 -2.856 1.00 0.00 H new ATOM 0 HA ILE A 38 48.301 -3.462 -2.080 1.00 0.00 H new ATOM 0 HB ILE A 38 47.456 -4.909 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 38 48.147 -6.318 -2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 38 49.365 -6.392 -3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 38 49.744 -4.447 -5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 38 48.823 -2.940 -5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 38 50.059 -3.411 -4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 38 50.423 -6.058 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 38 50.712 -4.645 -2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 38 49.476 -4.570 -1.458 1.00 0.00 H new ATOM 669 N THR A 39 45.955 -2.243 -4.024 1.00 0.00 N ATOM 670 CA THR A 39 45.453 -0.955 -4.598 1.00 0.00 C ATOM 671 C THR A 39 45.234 0.007 -3.430 1.00 0.00 C ATOM 672 O THR A 39 45.680 1.141 -3.444 1.00 0.00 O ATOM 673 CB THR A 39 44.125 -1.168 -5.352 1.00 0.00 C ATOM 674 OG1 THR A 39 43.555 -2.419 -4.994 1.00 0.00 O ATOM 675 CG2 THR A 39 44.378 -1.139 -6.861 1.00 0.00 C ATOM 0 H THR A 39 45.316 -3.034 -4.108 1.00 0.00 H new ATOM 0 HA THR A 39 46.176 -0.556 -5.309 1.00 0.00 H new ATOM 0 HB THR A 39 43.435 -0.369 -5.081 1.00 0.00 H new ATOM 0 HG1 THR A 39 43.280 -2.396 -4.054 1.00 0.00 H new ATOM 0 HG21 THR A 39 43.437 -1.290 -7.391 1.00 0.00 H new ATOM 0 HG22 THR A 39 44.801 -0.174 -7.141 1.00 0.00 H new ATOM 0 HG23 THR A 39 45.076 -1.932 -7.128 1.00 0.00 H new ATOM 683 N HIS A 40 44.579 -0.467 -2.403 1.00 0.00 N ATOM 684 CA HIS A 40 44.349 0.377 -1.197 1.00 0.00 C ATOM 685 C HIS A 40 45.692 0.614 -0.493 1.00 0.00 C ATOM 686 O HIS A 40 45.840 1.551 0.261 1.00 0.00 O ATOM 687 CB HIS A 40 43.388 -0.337 -0.242 1.00 0.00 C ATOM 688 CG HIS A 40 42.547 0.683 0.475 1.00 0.00 C ATOM 689 ND1 HIS A 40 41.161 0.648 0.452 1.00 0.00 N ATOM 690 CD2 HIS A 40 42.881 1.775 1.237 1.00 0.00 C ATOM 691 CE1 HIS A 40 40.717 1.690 1.178 1.00 0.00 C ATOM 692 NE2 HIS A 40 41.725 2.409 1.680 1.00 0.00 N ATOM 0 H HIS A 40 44.192 -1.409 -2.349 1.00 0.00 H new ATOM 0 HA HIS A 40 43.913 1.331 -1.493 1.00 0.00 H new ATOM 0 HB2 HIS A 40 42.750 -1.025 -0.797 1.00 0.00 H new ATOM 0 HB3 HIS A 40 43.949 -0.933 0.478 1.00 0.00 H new ATOM 0 HD2 HIS A 40 43.889 2.094 1.459 1.00 0.00 H new ATOM 0 HE1 HIS A 40 39.673 1.918 1.336 1.00 0.00 H new ATOM 0 HE2 HIS A 40 41.661 3.244 2.263 1.00 0.00 H new ATOM 700 N ILE A 41 46.679 -0.216 -0.761 1.00 0.00 N ATOM 701 CA ILE A 41 48.026 -0.033 -0.145 1.00 0.00 C ATOM 702 C ILE A 41 48.606 1.235 -0.751 1.00 0.00 C ATOM 703 O ILE A 41 49.170 2.056 -0.082 1.00 0.00 O ATOM 704 CB ILE A 41 48.891 -1.288 -0.478 1.00 0.00 C ATOM 705 CG1 ILE A 41 49.394 -1.956 0.816 1.00 0.00 C ATOM 706 CG2 ILE A 41 50.102 -0.974 -1.373 1.00 0.00 C ATOM 707 CD1 ILE A 41 48.540 -3.188 1.120 1.00 0.00 C ATOM 0 H ILE A 41 46.602 -1.018 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 41 47.991 0.065 0.940 1.00 0.00 H new ATOM 0 HB ILE A 41 48.236 -1.962 -1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 41 50.440 -2.243 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 41 49.342 -1.251 1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 41 50.660 -1.891 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 41 49.757 -0.554 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 41 50.749 -0.255 -0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 41 48.896 -3.661 2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 41 47.500 -2.887 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 41 48.615 -3.895 0.294 1.00 0.00 H new ATOM 719 N ALA A 42 48.440 1.383 -2.030 1.00 0.00 N ATOM 720 CA ALA A 42 48.954 2.583 -2.737 1.00 0.00 C ATOM 721 C ALA A 42 48.306 3.820 -2.134 1.00 0.00 C ATOM 722 O ALA A 42 48.975 4.764 -1.758 1.00 0.00 O ATOM 723 CB ALA A 42 48.605 2.466 -4.217 1.00 0.00 C ATOM 0 H ALA A 42 47.960 0.710 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 42 50.036 2.661 -2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 42 48.977 3.342 -4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 42 49.065 1.568 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 42 47.523 2.404 -4.332 1.00 0.00 H new ATOM 729 N ASN A 43 47.010 3.797 -2.001 1.00 0.00 N ATOM 730 CA ASN A 43 46.305 4.944 -1.374 1.00 0.00 C ATOM 731 C ASN A 43 46.752 5.051 0.094 1.00 0.00 C ATOM 732 O ASN A 43 46.623 6.090 0.714 1.00 0.00 O ATOM 733 CB ASN A 43 44.793 4.710 -1.436 1.00 0.00 C ATOM 734 CG ASN A 43 44.059 6.022 -1.158 1.00 0.00 C ATOM 735 OD1 ASN A 43 43.331 6.131 -0.191 1.00 0.00 O ATOM 736 ND2 ASN A 43 44.219 7.030 -1.970 1.00 0.00 N ATOM 0 H ASN A 43 46.408 3.030 -2.301 1.00 0.00 H new ATOM 0 HA ASN A 43 46.544 5.866 -1.904 1.00 0.00 H new ATOM 0 HB2 ASN A 43 44.514 4.327 -2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 43 44.501 3.956 -0.705 1.00 0.00 H new ATOM 0 HD21 ASN A 43 43.733 7.909 -1.793 1.00 0.00 H new ATOM 0 HD22 ASN A 43 44.830 6.939 -2.782 1.00 0.00 H new ATOM 743 N GLN A 44 47.269 3.975 0.656 1.00 0.00 N ATOM 744 CA GLN A 44 47.713 4.008 2.082 1.00 0.00 C ATOM 745 C GLN A 44 49.077 4.716 2.212 1.00 0.00 C ATOM 746 O GLN A 44 49.375 5.282 3.249 1.00 0.00 O ATOM 747 CB GLN A 44 47.686 2.568 2.681 1.00 0.00 C ATOM 748 CG GLN A 44 49.076 1.910 2.792 1.00 0.00 C ATOM 749 CD GLN A 44 49.740 2.323 4.110 1.00 0.00 C ATOM 750 OE1 GLN A 44 49.285 3.230 4.781 1.00 0.00 O ATOM 751 NE2 GLN A 44 50.810 1.692 4.511 1.00 0.00 N ATOM 0 H GLN A 44 47.400 3.080 0.184 1.00 0.00 H new ATOM 0 HA GLN A 44 47.017 4.601 2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 44 47.233 2.606 3.672 1.00 0.00 H new ATOM 0 HB3 GLN A 44 47.046 1.940 2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 44 48.980 0.825 2.746 1.00 0.00 H new ATOM 0 HG3 GLN A 44 49.699 2.210 1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 44 51.194 0.931 3.950 1.00 0.00 H new ATOM 0 HE22 GLN A 44 51.263 1.960 5.385 1.00 0.00 H new ATOM 760 N LEU A 45 49.890 4.730 1.175 1.00 0.00 N ATOM 761 CA LEU A 45 51.203 5.457 1.278 1.00 0.00 C ATOM 762 C LEU A 45 51.414 6.389 0.063 1.00 0.00 C ATOM 763 O LEU A 45 52.518 6.804 -0.228 1.00 0.00 O ATOM 764 CB LEU A 45 52.370 4.461 1.452 1.00 0.00 C ATOM 765 CG LEU A 45 52.752 3.782 0.137 1.00 0.00 C ATOM 766 CD1 LEU A 45 54.109 3.081 0.300 1.00 0.00 C ATOM 767 CD2 LEU A 45 51.685 2.759 -0.214 1.00 0.00 C ATOM 0 H LEU A 45 49.706 4.279 0.279 1.00 0.00 H new ATOM 0 HA LEU A 45 51.180 6.087 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 45 53.237 4.986 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 45 52.091 3.702 2.183 1.00 0.00 H new ATOM 0 HG LEU A 45 52.826 4.523 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 45 54.383 2.596 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 45 54.869 3.816 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 45 54.039 2.332 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 45 51.946 2.267 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 45 51.619 2.015 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 45 50.723 3.260 -0.323 1.00 0.00 H new ATOM 779 N GLY A 46 50.351 6.748 -0.614 1.00 0.00 N ATOM 780 CA GLY A 46 50.444 7.688 -1.779 1.00 0.00 C ATOM 781 C GLY A 46 51.546 7.300 -2.779 1.00 0.00 C ATOM 782 O GLY A 46 52.060 8.153 -3.480 1.00 0.00 O ATOM 0 H GLY A 46 49.406 6.425 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 46 49.485 7.713 -2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 46 50.634 8.696 -1.411 1.00 0.00 H new ATOM 786 N LEU A 47 51.903 6.042 -2.880 1.00 0.00 N ATOM 787 CA LEU A 47 52.962 5.654 -3.874 1.00 0.00 C ATOM 788 C LEU A 47 52.302 5.001 -5.102 1.00 0.00 C ATOM 789 O LEU A 47 51.101 4.815 -5.150 1.00 0.00 O ATOM 790 CB LEU A 47 54.025 4.721 -3.211 1.00 0.00 C ATOM 791 CG LEU A 47 53.807 3.220 -3.505 1.00 0.00 C ATOM 792 CD1 LEU A 47 54.786 2.377 -2.674 1.00 0.00 C ATOM 793 CD2 LEU A 47 52.374 2.808 -3.170 1.00 0.00 C ATOM 0 H LEU A 47 51.516 5.276 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 47 53.491 6.546 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 47 55.016 5.010 -3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 47 54.009 4.876 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 47 53.985 3.049 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 47 54.627 1.320 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 47 55.810 2.649 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 47 54.617 2.564 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 47 52.241 1.748 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 47 52.180 2.992 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 47 51.678 3.390 -3.773 1.00 0.00 H new ATOM 805 N GLU A 48 53.092 4.640 -6.075 1.00 0.00 N ATOM 806 CA GLU A 48 52.539 3.978 -7.295 1.00 0.00 C ATOM 807 C GLU A 48 52.556 2.461 -7.097 1.00 0.00 C ATOM 808 O GLU A 48 52.858 1.971 -6.028 1.00 0.00 O ATOM 809 CB GLU A 48 53.394 4.338 -8.518 1.00 0.00 C ATOM 810 CG GLU A 48 54.881 4.115 -8.213 1.00 0.00 C ATOM 811 CD GLU A 48 55.563 5.461 -7.952 1.00 0.00 C ATOM 812 OE1 GLU A 48 54.910 6.341 -7.415 1.00 0.00 O ATOM 813 OE2 GLU A 48 56.727 5.588 -8.294 1.00 0.00 O ATOM 0 H GLU A 48 54.103 4.775 -6.079 1.00 0.00 H new ATOM 0 HA GLU A 48 51.517 4.320 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 48 53.095 3.729 -9.371 1.00 0.00 H new ATOM 0 HB3 GLU A 48 53.225 5.379 -8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 48 54.990 3.467 -7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 48 55.362 3.609 -9.050 1.00 0.00 H new ATOM 820 N LYS A 49 52.250 1.712 -8.122 1.00 0.00 N ATOM 821 CA LYS A 49 52.276 0.228 -7.993 1.00 0.00 C ATOM 822 C LYS A 49 53.676 -0.297 -8.360 1.00 0.00 C ATOM 823 O LYS A 49 53.971 -1.463 -8.170 1.00 0.00 O ATOM 824 CB LYS A 49 51.233 -0.388 -8.928 1.00 0.00 C ATOM 825 CG LYS A 49 49.826 0.088 -8.528 1.00 0.00 C ATOM 826 CD LYS A 49 49.131 0.732 -9.731 1.00 0.00 C ATOM 827 CE LYS A 49 47.712 1.147 -9.339 1.00 0.00 C ATOM 828 NZ LYS A 49 46.864 -0.068 -9.181 1.00 0.00 N ATOM 0 H LYS A 49 51.984 2.064 -9.042 1.00 0.00 H new ATOM 0 HA LYS A 49 52.045 -0.049 -6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 49 51.443 -0.104 -9.959 1.00 0.00 H new ATOM 0 HB3 LYS A 49 51.286 -1.476 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.237 -0.755 -8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 49 49.894 0.805 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 49 49.695 1.601 -10.068 1.00 0.00 H new ATOM 0 HD3 LYS A 49 49.099 0.030 -10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 49 47.732 1.713 -8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 49 47.290 1.802 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 45.861 0.206 -9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 47.047 -0.724 -9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 47.092 -0.536 -8.280 1.00 0.00 H new ATOM 842 N ASP A 50 54.540 0.550 -8.884 1.00 0.00 N ATOM 843 CA ASP A 50 55.910 0.095 -9.261 1.00 0.00 C ATOM 844 C ASP A 50 56.811 0.084 -8.026 1.00 0.00 C ATOM 845 O ASP A 50 57.559 -0.855 -7.816 1.00 0.00 O ATOM 846 CB ASP A 50 56.494 1.041 -10.312 1.00 0.00 C ATOM 847 CG ASP A 50 56.247 0.469 -11.710 1.00 0.00 C ATOM 848 OD1 ASP A 50 55.117 0.534 -12.163 1.00 0.00 O ATOM 849 OD2 ASP A 50 57.193 -0.023 -12.302 1.00 0.00 O ATOM 0 H ASP A 50 54.348 1.536 -9.064 1.00 0.00 H new ATOM 0 HA ASP A 50 55.852 -0.913 -9.672 1.00 0.00 H new ATOM 0 HB2 ASP A 50 56.035 2.026 -10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 50 57.563 1.171 -10.145 1.00 0.00 H new ATOM 854 N VAL A 51 56.744 1.101 -7.195 1.00 0.00 N ATOM 855 CA VAL A 51 57.596 1.106 -5.975 1.00 0.00 C ATOM 856 C VAL A 51 56.928 0.226 -4.910 1.00 0.00 C ATOM 857 O VAL A 51 57.576 -0.247 -3.996 1.00 0.00 O ATOM 858 CB VAL A 51 57.775 2.544 -5.458 1.00 0.00 C ATOM 859 CG1 VAL A 51 56.417 3.138 -5.059 1.00 0.00 C ATOM 860 CG2 VAL A 51 58.713 2.529 -4.245 1.00 0.00 C ATOM 0 H VAL A 51 56.141 1.916 -7.312 1.00 0.00 H new ATOM 0 HA VAL A 51 58.584 0.709 -6.208 1.00 0.00 H new ATOM 0 HB VAL A 51 58.205 3.160 -6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 51 56.558 4.156 -4.695 1.00 0.00 H new ATOM 0 HG12 VAL A 51 55.757 3.151 -5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 51 55.971 2.530 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 51 58.844 3.545 -3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 51 58.282 1.908 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 51 59.681 2.122 -4.538 1.00 0.00 H new ATOM 870 N VAL A 52 55.635 0.002 -5.024 1.00 0.00 N ATOM 871 CA VAL A 52 54.937 -0.853 -4.023 1.00 0.00 C ATOM 872 C VAL A 52 55.198 -2.335 -4.353 1.00 0.00 C ATOM 873 O VAL A 52 55.281 -3.169 -3.471 1.00 0.00 O ATOM 874 CB VAL A 52 53.422 -0.512 -4.021 1.00 0.00 C ATOM 875 CG1 VAL A 52 52.609 -1.418 -4.961 1.00 0.00 C ATOM 876 CG2 VAL A 52 52.889 -0.654 -2.595 1.00 0.00 C ATOM 0 H VAL A 52 55.042 0.375 -5.765 1.00 0.00 H new ATOM 0 HA VAL A 52 55.320 -0.662 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 52 53.311 0.510 -4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 52 51.557 -1.135 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 52 52.975 -1.305 -5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 52 52.718 -2.457 -4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 52 51.825 -0.417 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 52 53.038 -1.677 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 52 53.423 0.031 -1.937 1.00 0.00 H new ATOM 886 N ARG A 53 55.320 -2.657 -5.618 1.00 0.00 N ATOM 887 CA ARG A 53 55.568 -4.076 -6.012 1.00 0.00 C ATOM 888 C ARG A 53 57.039 -4.424 -5.776 1.00 0.00 C ATOM 889 O ARG A 53 57.358 -5.488 -5.280 1.00 0.00 O ATOM 890 CB ARG A 53 55.229 -4.266 -7.491 1.00 0.00 C ATOM 891 CG ARG A 53 55.082 -5.760 -7.792 1.00 0.00 C ATOM 892 CD ARG A 53 56.466 -6.389 -7.985 1.00 0.00 C ATOM 893 NE ARG A 53 56.431 -7.313 -9.152 1.00 0.00 N ATOM 894 CZ ARG A 53 57.402 -8.166 -9.337 1.00 0.00 C ATOM 895 NH1 ARG A 53 57.434 -9.278 -8.652 1.00 0.00 N ATOM 896 NH2 ARG A 53 58.342 -7.908 -10.204 1.00 0.00 N ATOM 0 H ARG A 53 55.258 -1.997 -6.393 1.00 0.00 H new ATOM 0 HA ARG A 53 54.939 -4.732 -5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 53 54.304 -3.742 -7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 53 56.013 -3.834 -8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 53 54.558 -6.255 -6.974 1.00 0.00 H new ATOM 0 HG3 ARG A 53 54.479 -5.902 -8.689 1.00 0.00 H new ATOM 0 HD2 ARG A 53 57.212 -5.611 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 53 56.760 -6.931 -7.086 1.00 0.00 H new ATOM 0 HE ARG A 53 55.649 -7.280 -9.806 1.00 0.00 H new ATOM 0 HH11 ARG A 53 56.700 -9.480 -7.973 1.00 0.00 H new ATOM 0 HH12 ARG A 53 58.193 -9.944 -8.797 1.00 0.00 H new ATOM 0 HH21 ARG A 53 58.319 -7.039 -10.738 1.00 0.00 H new ATOM 0 HH22 ARG A 53 59.100 -8.575 -10.348 1.00 0.00 H new ATOM 910 N VAL A 54 57.933 -3.535 -6.126 1.00 0.00 N ATOM 911 CA VAL A 54 59.385 -3.807 -5.920 1.00 0.00 C ATOM 912 C VAL A 54 59.692 -3.762 -4.421 1.00 0.00 C ATOM 913 O VAL A 54 60.511 -4.511 -3.922 1.00 0.00 O ATOM 914 CB VAL A 54 60.212 -2.745 -6.652 1.00 0.00 C ATOM 915 CG1 VAL A 54 61.705 -3.039 -6.482 1.00 0.00 C ATOM 916 CG2 VAL A 54 59.861 -2.766 -8.142 1.00 0.00 C ATOM 0 H VAL A 54 57.718 -2.631 -6.546 1.00 0.00 H new ATOM 0 HA VAL A 54 59.639 -4.791 -6.315 1.00 0.00 H new ATOM 0 HB VAL A 54 59.987 -1.764 -6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 54 62.287 -2.280 -7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 54 61.960 -3.026 -5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 54 61.932 -4.021 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 54 60.448 -2.011 -8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 54 60.085 -3.750 -8.555 1.00 0.00 H new ATOM 0 HG23 VAL A 54 58.800 -2.552 -8.269 1.00 0.00 H new ATOM 926 N TRP A 55 59.034 -2.889 -3.705 1.00 0.00 N ATOM 927 CA TRP A 55 59.270 -2.785 -2.237 1.00 0.00 C ATOM 928 C TRP A 55 58.736 -4.052 -1.561 1.00 0.00 C ATOM 929 O TRP A 55 59.313 -4.530 -0.601 1.00 0.00 O ATOM 930 CB TRP A 55 58.569 -1.518 -1.701 1.00 0.00 C ATOM 931 CG TRP A 55 58.617 -1.473 -0.202 1.00 0.00 C ATOM 932 CD1 TRP A 55 59.527 -0.793 0.545 1.00 0.00 C ATOM 933 CD2 TRP A 55 57.727 -2.135 0.743 1.00 0.00 C ATOM 934 NE1 TRP A 55 59.234 -0.984 1.873 1.00 0.00 N ATOM 935 CE2 TRP A 55 58.146 -1.819 2.052 1.00 0.00 C ATOM 936 CE3 TRP A 55 56.605 -2.972 0.590 1.00 0.00 C ATOM 937 CZ2 TRP A 55 57.480 -2.323 3.171 1.00 0.00 C ATOM 938 CZ3 TRP A 55 55.932 -3.477 1.710 1.00 0.00 C ATOM 939 CH2 TRP A 55 56.372 -3.159 2.996 1.00 0.00 C ATOM 0 H TRP A 55 58.340 -2.241 -4.077 1.00 0.00 H new ATOM 0 HA TRP A 55 60.335 -2.701 -2.019 1.00 0.00 H new ATOM 0 HB2 TRP A 55 59.050 -0.630 -2.111 1.00 0.00 H new ATOM 0 HB3 TRP A 55 57.532 -1.502 -2.036 1.00 0.00 H new ATOM 0 HD1 TRP A 55 60.344 -0.201 0.159 1.00 0.00 H new ATOM 0 HE1 TRP A 55 59.758 -0.559 2.638 1.00 0.00 H new ATOM 0 HE3 TRP A 55 56.260 -3.227 -0.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 57.818 -2.069 4.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 55.070 -4.114 1.578 1.00 0.00 H new ATOM 0 HH2 TRP A 55 55.857 -3.559 3.857 1.00 0.00 H new ATOM 950 N PHE A 56 57.658 -4.614 -2.057 1.00 0.00 N ATOM 951 CA PHE A 56 57.134 -5.860 -1.428 1.00 0.00 C ATOM 952 C PHE A 56 57.756 -7.094 -2.091 1.00 0.00 C ATOM 953 O PHE A 56 57.582 -8.201 -1.617 1.00 0.00 O ATOM 954 CB PHE A 56 55.608 -5.939 -1.524 1.00 0.00 C ATOM 955 CG PHE A 56 55.097 -6.862 -0.432 1.00 0.00 C ATOM 956 CD1 PHE A 56 55.490 -6.662 0.901 1.00 0.00 C ATOM 957 CD2 PHE A 56 54.239 -7.922 -0.749 1.00 0.00 C ATOM 958 CE1 PHE A 56 55.031 -7.514 1.906 1.00 0.00 C ATOM 959 CE2 PHE A 56 53.778 -8.775 0.262 1.00 0.00 C ATOM 960 CZ PHE A 56 54.177 -8.569 1.590 1.00 0.00 C ATOM 0 H PHE A 56 57.129 -4.268 -2.857 1.00 0.00 H new ATOM 0 HA PHE A 56 57.409 -5.836 -0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 56 55.171 -4.946 -1.415 1.00 0.00 H new ATOM 0 HB3 PHE A 56 55.310 -6.312 -2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 56 56.151 -5.845 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 56 53.933 -8.082 -1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 56 55.338 -7.356 2.929 1.00 0.00 H new ATOM 0 HE2 PHE A 56 53.115 -9.592 0.018 1.00 0.00 H new ATOM 0 HZ PHE A 56 53.822 -9.228 2.369 1.00 0.00 H new ATOM 970 N CYS A 57 58.495 -6.922 -3.166 1.00 0.00 N ATOM 971 CA CYS A 57 59.135 -8.098 -3.818 1.00 0.00 C ATOM 972 C CYS A 57 60.252 -8.584 -2.904 1.00 0.00 C ATOM 973 O CYS A 57 60.448 -9.771 -2.718 1.00 0.00 O ATOM 974 CB CYS A 57 59.710 -7.696 -5.178 1.00 0.00 C ATOM 975 SG CYS A 57 60.294 -9.172 -6.048 1.00 0.00 S ATOM 0 H CYS A 57 58.677 -6.023 -3.612 1.00 0.00 H new ATOM 0 HA CYS A 57 58.402 -8.889 -3.979 1.00 0.00 H new ATOM 0 HB2 CYS A 57 58.949 -7.189 -5.771 1.00 0.00 H new ATOM 0 HB3 CYS A 57 60.531 -6.992 -5.044 1.00 0.00 H new ATOM 0 HG CYS A 57 60.780 -8.830 -7.204 1.00 0.00 H new ATOM 981 N ASN A 58 60.963 -7.665 -2.303 1.00 0.00 N ATOM 982 CA ASN A 58 62.047 -8.052 -1.364 1.00 0.00 C ATOM 983 C ASN A 58 61.394 -8.454 -0.044 1.00 0.00 C ATOM 984 O ASN A 58 61.796 -9.406 0.597 1.00 0.00 O ATOM 985 CB ASN A 58 62.985 -6.865 -1.136 1.00 0.00 C ATOM 986 CG ASN A 58 64.360 -7.376 -0.703 1.00 0.00 C ATOM 987 OD1 ASN A 58 65.321 -7.268 -1.439 1.00 0.00 O ATOM 988 ND2 ASN A 58 64.495 -7.931 0.470 1.00 0.00 N ATOM 0 H ASN A 58 60.836 -6.660 -2.426 1.00 0.00 H new ATOM 0 HA ASN A 58 62.629 -8.878 -1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 58 63.075 -6.278 -2.050 1.00 0.00 H new ATOM 0 HB3 ASN A 58 62.574 -6.205 -0.372 1.00 0.00 H new ATOM 0 HD21 ASN A 58 65.407 -8.274 0.770 1.00 0.00 H new ATOM 0 HD22 ASN A 58 63.688 -8.021 1.087 1.00 0.00 H new ATOM 995 N ARG A 59 60.371 -7.734 0.355 1.00 0.00 N ATOM 996 CA ARG A 59 59.665 -8.073 1.629 1.00 0.00 C ATOM 997 C ARG A 59 59.055 -9.477 1.518 1.00 0.00 C ATOM 998 O ARG A 59 58.797 -10.125 2.516 1.00 0.00 O ATOM 999 CB ARG A 59 58.557 -7.034 1.894 1.00 0.00 C ATOM 1000 CG ARG A 59 58.814 -6.308 3.221 1.00 0.00 C ATOM 1001 CD ARG A 59 60.204 -5.655 3.210 1.00 0.00 C ATOM 1002 NE ARG A 59 61.012 -6.183 4.344 1.00 0.00 N ATOM 1003 CZ ARG A 59 62.309 -6.043 4.339 1.00 0.00 C ATOM 1004 NH1 ARG A 59 62.840 -4.898 4.006 1.00 0.00 N ATOM 1005 NH2 ARG A 59 63.075 -7.047 4.666 1.00 0.00 N ATOM 0 H ARG A 59 59.997 -6.929 -0.146 1.00 0.00 H new ATOM 0 HA ARG A 59 60.374 -8.057 2.457 1.00 0.00 H new ATOM 0 HB2 ARG A 59 58.523 -6.313 1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 59 57.586 -7.528 1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 59 58.049 -5.548 3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 59 58.742 -7.013 4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 59 60.706 -5.861 2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 59 60.109 -4.572 3.291 1.00 0.00 H new ATOM 0 HE ARG A 59 60.552 -6.653 5.123 1.00 0.00 H new ATOM 0 HH11 ARG A 59 62.241 -4.113 3.750 1.00 0.00 H new ATOM 0 HH12 ARG A 59 63.854 -4.788 4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 59 62.660 -7.942 4.926 1.00 0.00 H new ATOM 0 HH22 ARG A 59 64.089 -6.937 4.662 1.00 0.00 H new ATOM 1019 N ARG A 60 58.835 -9.957 0.315 1.00 0.00 N ATOM 1020 CA ARG A 60 58.256 -11.321 0.145 1.00 0.00 C ATOM 1021 C ARG A 60 59.392 -12.347 0.151 1.00 0.00 C ATOM 1022 O ARG A 60 59.282 -13.408 0.734 1.00 0.00 O ATOM 1023 CB ARG A 60 57.507 -11.395 -1.187 1.00 0.00 C ATOM 1024 CG ARG A 60 56.119 -10.769 -1.031 1.00 0.00 C ATOM 1025 CD ARG A 60 55.568 -10.399 -2.410 1.00 0.00 C ATOM 1026 NE ARG A 60 55.563 -11.607 -3.284 1.00 0.00 N ATOM 1027 CZ ARG A 60 56.532 -11.798 -4.138 1.00 0.00 C ATOM 1028 NH1 ARG A 60 56.682 -10.985 -5.148 1.00 0.00 N ATOM 1029 NH2 ARG A 60 57.349 -12.805 -3.985 1.00 0.00 N ATOM 0 H ARG A 60 59.033 -9.460 -0.553 1.00 0.00 H new ATOM 0 HA ARG A 60 57.563 -11.533 0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 60 58.068 -10.871 -1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 60 57.415 -12.433 -1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 60 55.447 -11.469 -0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 60 56.177 -9.882 -0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 60 54.557 -10.002 -2.315 1.00 0.00 H new ATOM 0 HD3 ARG A 60 56.178 -9.615 -2.859 1.00 0.00 H new ATOM 0 HE ARG A 60 54.803 -12.284 -3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 60 56.042 -10.200 -5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 60 57.439 -11.134 -5.815 1.00 0.00 H new ATOM 0 HH21 ARG A 60 57.230 -13.443 -3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 60 58.106 -12.954 -4.652 1.00 0.00 H new ATOM 1043 N GLN A 61 60.486 -12.027 -0.493 1.00 0.00 N ATOM 1044 CA GLN A 61 61.647 -12.964 -0.533 1.00 0.00 C ATOM 1045 C GLN A 61 62.920 -12.203 -0.169 1.00 0.00 C ATOM 1046 O GLN A 61 63.815 -12.034 -0.978 1.00 0.00 O ATOM 1047 CB GLN A 61 61.779 -13.573 -1.935 1.00 0.00 C ATOM 1048 CG GLN A 61 61.750 -12.464 -2.991 1.00 0.00 C ATOM 1049 CD GLN A 61 62.107 -13.054 -4.357 1.00 0.00 C ATOM 1050 OE1 GLN A 61 61.241 -13.486 -5.091 1.00 0.00 O ATOM 1051 NE2 GLN A 61 63.357 -13.091 -4.731 1.00 0.00 N ATOM 0 H GLN A 61 60.624 -11.150 -0.996 1.00 0.00 H new ATOM 0 HA GLN A 61 61.490 -13.770 0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 61 62.710 -14.135 -2.011 1.00 0.00 H new ATOM 0 HB3 GLN A 61 60.966 -14.277 -2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 61 60.761 -12.007 -3.027 1.00 0.00 H new ATOM 0 HG3 GLN A 61 62.456 -11.677 -2.727 1.00 0.00 H new ATOM 0 HE21 GLN A 61 64.085 -12.728 -4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 61 63.606 -13.483 -5.639 1.00 0.00 H new