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 Single : A 17 ASN : amide:sc= 0.0434 K(o=0.043,f=-1.2) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 37:sc= 1.16 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 11:sc= 0.257 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=-0.0041) USER MOD Single : A 37 GLN : amide:sc= -0.094 X(o=-0.094,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0492 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 43 ASN : amide:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.329 F(o=-0.88,f=-0.33) 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= -0.065 X(o=-0.065,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 252 N ILE A 15 62.455 -1.871 7.844 1.00 0.00 N ATOM 253 CA ILE A 15 61.171 -1.482 7.195 1.00 0.00 C ATOM 254 C ILE A 15 60.207 -0.956 8.256 1.00 0.00 C ATOM 255 O ILE A 15 59.379 -1.687 8.770 1.00 0.00 O ATOM 256 CB ILE A 15 60.558 -2.696 6.476 1.00 0.00 C ATOM 257 CG1 ILE A 15 61.479 -3.117 5.319 1.00 0.00 C ATOM 258 CG2 ILE A 15 59.167 -2.341 5.917 1.00 0.00 C ATOM 259 CD1 ILE A 15 61.600 -1.980 4.291 1.00 0.00 C ATOM 0 HA ILE A 15 61.358 -0.699 6.460 1.00 0.00 H new ATOM 0 HB ILE A 15 60.454 -3.515 7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 15 62.465 -3.373 5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 15 61.083 -4.011 4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 15 58.746 -3.210 5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 15 58.511 -2.044 6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 15 59.259 -1.518 5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 15 62.255 -2.293 3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 15 60.614 -1.744 3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 15 62.017 -1.096 4.773 1.00 0.00 H new ATOM 271 N GLU A 16 60.286 0.314 8.557 1.00 0.00 N ATOM 272 CA GLU A 16 59.355 0.901 9.547 1.00 0.00 C ATOM 273 C GLU A 16 57.974 0.909 8.908 1.00 0.00 C ATOM 274 O GLU A 16 57.856 0.943 7.702 1.00 0.00 O ATOM 275 CB GLU A 16 59.786 2.331 9.886 1.00 0.00 C ATOM 276 CG GLU A 16 59.496 2.616 11.362 1.00 0.00 C ATOM 277 CD GLU A 16 59.917 4.049 11.698 1.00 0.00 C ATOM 278 OE1 GLU A 16 59.465 4.953 11.015 1.00 0.00 O ATOM 279 OE2 GLU A 16 60.681 4.216 12.634 1.00 0.00 O ATOM 0 H GLU A 16 60.959 0.966 8.155 1.00 0.00 H new ATOM 0 HA GLU A 16 59.352 0.323 10.471 1.00 0.00 H new ATOM 0 HB2 GLU A 16 60.849 2.460 9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 16 59.252 3.042 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 16 58.434 2.480 11.568 1.00 0.00 H new ATOM 0 HG3 GLU A 16 60.036 1.910 11.993 1.00 0.00 H new ATOM 286 N ASN A 17 56.934 0.860 9.688 1.00 0.00 N ATOM 287 CA ASN A 17 55.563 0.852 9.095 1.00 0.00 C ATOM 288 C ASN A 17 55.341 2.140 8.294 1.00 0.00 C ATOM 289 O ASN A 17 54.532 2.181 7.386 1.00 0.00 O ATOM 290 CB ASN A 17 54.514 0.733 10.204 1.00 0.00 C ATOM 291 CG ASN A 17 54.659 1.899 11.185 1.00 0.00 C ATOM 292 OD1 ASN A 17 55.518 1.884 12.044 1.00 0.00 O ATOM 293 ND2 ASN A 17 53.848 2.917 11.090 1.00 0.00 N ATOM 0 H ASN A 17 56.969 0.825 10.707 1.00 0.00 H new ATOM 0 HA ASN A 17 55.465 -0.004 8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 17 53.513 0.732 9.772 1.00 0.00 H new ATOM 0 HB3 ASN A 17 54.634 -0.214 10.730 1.00 0.00 H new ATOM 0 HD21 ASN A 17 53.935 3.701 11.737 1.00 0.00 H new ATOM 0 HD22 ASN A 17 53.127 2.929 10.369 1.00 0.00 H new ATOM 300 N ARG A 18 56.065 3.184 8.615 1.00 0.00 N ATOM 301 CA ARG A 18 55.911 4.461 7.866 1.00 0.00 C ATOM 302 C ARG A 18 56.763 4.402 6.596 1.00 0.00 C ATOM 303 O ARG A 18 56.454 5.041 5.607 1.00 0.00 O ATOM 304 CB ARG A 18 56.371 5.631 8.749 1.00 0.00 C ATOM 305 CG ARG A 18 55.364 6.781 8.656 1.00 0.00 C ATOM 306 CD ARG A 18 55.767 7.890 9.631 1.00 0.00 C ATOM 307 NE ARG A 18 54.985 9.124 9.334 1.00 0.00 N ATOM 308 CZ ARG A 18 54.183 9.621 10.236 1.00 0.00 C ATOM 309 NH1 ARG A 18 54.671 10.280 11.251 1.00 0.00 N ATOM 310 NH2 ARG A 18 52.894 9.460 10.120 1.00 0.00 N ATOM 0 H ARG A 18 56.756 3.203 9.365 1.00 0.00 H new ATOM 0 HA ARG A 18 54.865 4.608 7.596 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.466 5.302 9.784 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.356 5.972 8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 18 55.333 7.170 7.638 1.00 0.00 H new ATOM 0 HG3 ARG A 18 54.362 6.422 8.891 1.00 0.00 H new ATOM 0 HD2 ARG A 18 55.585 7.570 10.657 1.00 0.00 H new ATOM 0 HD3 ARG A 18 56.834 8.094 9.545 1.00 0.00 H new ATOM 0 HE ARG A 18 55.077 9.580 8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 18 55.679 10.407 11.340 1.00 0.00 H new ATOM 0 HH12 ARG A 18 54.044 10.668 11.956 1.00 0.00 H new ATOM 0 HH21 ARG A 18 52.514 8.946 9.325 1.00 0.00 H new ATOM 0 HH22 ARG A 18 52.266 9.848 10.824 1.00 0.00 H new ATOM 324 N VAL A 19 57.833 3.639 6.612 1.00 0.00 N ATOM 325 CA VAL A 19 58.694 3.544 5.399 1.00 0.00 C ATOM 326 C VAL A 19 57.958 2.757 4.320 1.00 0.00 C ATOM 327 O VAL A 19 57.978 3.113 3.163 1.00 0.00 O ATOM 328 CB VAL A 19 60.059 2.892 5.750 1.00 0.00 C ATOM 329 CG1 VAL A 19 60.104 1.383 5.439 1.00 0.00 C ATOM 330 CG2 VAL A 19 61.139 3.588 4.925 1.00 0.00 C ATOM 0 H VAL A 19 58.141 3.083 7.410 1.00 0.00 H new ATOM 0 HA VAL A 19 58.902 4.544 5.018 1.00 0.00 H new ATOM 0 HB VAL A 19 60.217 3.006 6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.083 0.986 5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 19 59.334 0.870 6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 19 59.926 1.225 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 19 62.110 3.149 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 19 60.924 3.463 3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 19 61.155 4.650 5.169 1.00 0.00 H new ATOM 340 N ARG A 20 57.327 1.678 4.695 1.00 0.00 N ATOM 341 CA ARG A 20 56.594 0.858 3.696 1.00 0.00 C ATOM 342 C ARG A 20 55.459 1.681 3.117 1.00 0.00 C ATOM 343 O ARG A 20 55.311 1.774 1.909 1.00 0.00 O ATOM 344 CB ARG A 20 56.043 -0.405 4.370 1.00 0.00 C ATOM 345 CG ARG A 20 56.256 -1.618 3.459 1.00 0.00 C ATOM 346 CD ARG A 20 55.359 -2.767 3.924 1.00 0.00 C ATOM 347 NE ARG A 20 56.020 -4.070 3.628 1.00 0.00 N ATOM 348 CZ ARG A 20 55.400 -5.190 3.884 1.00 0.00 C ATOM 349 NH1 ARG A 20 54.273 -5.463 3.286 1.00 0.00 N ATOM 350 NH2 ARG A 20 55.907 -6.036 4.740 1.00 0.00 N ATOM 0 H ARG A 20 57.289 1.330 5.653 1.00 0.00 H new ATOM 0 HA ARG A 20 57.269 0.560 2.894 1.00 0.00 H new ATOM 0 HB2 ARG A 20 56.542 -0.565 5.326 1.00 0.00 H new ATOM 0 HB3 ARG A 20 54.981 -0.281 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 20 56.024 -1.356 2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 20 57.301 -1.926 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 20 55.166 -2.681 4.993 1.00 0.00 H new ATOM 0 HD3 ARG A 20 54.394 -2.715 3.420 1.00 0.00 H new ATOM 0 HE ARG A 20 56.957 -4.086 3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 20 53.876 -4.801 2.619 1.00 0.00 H new ATOM 0 HH12 ARG A 20 53.788 -6.338 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 20 56.787 -5.822 5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 20 55.423 -6.911 4.940 1.00 0.00 H new ATOM 364 N TRP A 21 54.653 2.285 3.951 1.00 0.00 N ATOM 365 CA TRP A 21 53.542 3.094 3.397 1.00 0.00 C ATOM 366 C TRP A 21 54.117 4.387 2.804 1.00 0.00 C ATOM 367 O TRP A 21 53.458 5.062 2.036 1.00 0.00 O ATOM 368 CB TRP A 21 52.456 3.341 4.458 1.00 0.00 C ATOM 369 CG TRP A 21 51.292 2.441 4.135 1.00 0.00 C ATOM 370 CD1 TRP A 21 49.982 2.759 4.257 1.00 0.00 C ATOM 371 CD2 TRP A 21 51.332 1.084 3.595 1.00 0.00 C ATOM 372 NE1 TRP A 21 49.219 1.683 3.820 1.00 0.00 N ATOM 373 CE2 TRP A 21 50.011 0.627 3.401 1.00 0.00 C ATOM 374 CE3 TRP A 21 52.384 0.216 3.258 1.00 0.00 C ATOM 375 CZ2 TRP A 21 49.753 -0.650 2.881 1.00 0.00 C ATOM 376 CZ3 TRP A 21 52.134 -1.053 2.741 1.00 0.00 C ATOM 377 CH2 TRP A 21 50.819 -1.488 2.547 1.00 0.00 C ATOM 0 H TRP A 21 54.717 2.252 4.968 1.00 0.00 H new ATOM 0 HA TRP A 21 53.045 2.551 2.593 1.00 0.00 H new ATOM 0 HB2 TRP A 21 52.840 3.128 5.456 1.00 0.00 H new ATOM 0 HB3 TRP A 21 52.146 4.386 4.452 1.00 0.00 H new ATOM 0 HD1 TRP A 21 49.594 3.694 4.632 1.00 0.00 H new ATOM 0 HE1 TRP A 21 48.199 1.672 3.809 1.00 0.00 H new ATOM 0 HE3 TRP A 21 53.405 0.538 3.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 48.735 -0.983 2.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 52.959 -1.703 2.489 1.00 0.00 H new ATOM 0 HH2 TRP A 21 50.628 -2.470 2.140 1.00 0.00 H new ATOM 388 N SER A 22 55.376 4.689 3.076 1.00 0.00 N ATOM 389 CA SER A 22 56.007 5.867 2.436 1.00 0.00 C ATOM 390 C SER A 22 56.231 5.462 0.976 1.00 0.00 C ATOM 391 O SER A 22 56.020 6.234 0.060 1.00 0.00 O ATOM 392 CB SER A 22 57.337 6.206 3.119 1.00 0.00 C ATOM 393 OG SER A 22 58.157 6.944 2.221 1.00 0.00 O ATOM 0 H SER A 22 55.977 4.165 3.711 1.00 0.00 H new ATOM 0 HA SER A 22 55.383 6.757 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 22 57.156 6.787 4.024 1.00 0.00 H new ATOM 0 HB3 SER A 22 57.845 5.291 3.424 1.00 0.00 H new ATOM 0 HG SER A 22 59.007 7.162 2.658 1.00 0.00 H new ATOM 399 N LEU A 23 56.591 4.206 0.754 1.00 0.00 N ATOM 400 CA LEU A 23 56.751 3.691 -0.642 1.00 0.00 C ATOM 401 C LEU A 23 55.425 3.926 -1.357 1.00 0.00 C ATOM 402 O LEU A 23 55.371 4.397 -2.470 1.00 0.00 O ATOM 403 CB LEU A 23 56.997 2.172 -0.629 1.00 0.00 C ATOM 404 CG LEU A 23 58.294 1.806 0.089 1.00 0.00 C ATOM 405 CD1 LEU A 23 58.135 0.403 0.682 1.00 0.00 C ATOM 406 CD2 LEU A 23 59.452 1.795 -0.915 1.00 0.00 C ATOM 0 H LEU A 23 56.779 3.522 1.487 1.00 0.00 H new ATOM 0 HA LEU A 23 57.589 4.192 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 23 56.160 1.674 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.034 1.802 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 23 58.504 2.533 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.051 0.121 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 23 57.303 0.398 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 23 57.937 -0.310 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 23 60.377 1.534 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.250 1.061 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.553 2.783 -1.364 1.00 0.00 H new ATOM 418 N GLU A 24 54.353 3.589 -0.687 1.00 0.00 N ATOM 419 CA GLU A 24 52.983 3.769 -1.269 1.00 0.00 C ATOM 420 C GLU A 24 52.779 5.209 -1.758 1.00 0.00 C ATOM 421 O GLU A 24 52.378 5.439 -2.883 1.00 0.00 O ATOM 422 CB GLU A 24 51.939 3.463 -0.190 1.00 0.00 C ATOM 423 CG GLU A 24 50.546 3.409 -0.823 1.00 0.00 C ATOM 424 CD GLU A 24 49.511 3.930 0.176 1.00 0.00 C ATOM 425 OE1 GLU A 24 49.444 3.387 1.267 1.00 0.00 O ATOM 426 OE2 GLU A 24 48.803 4.862 -0.166 1.00 0.00 O ATOM 0 H GLU A 24 54.366 3.191 0.252 1.00 0.00 H new ATOM 0 HA GLU A 24 52.874 3.092 -2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 24 52.167 2.512 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 24 51.968 4.229 0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 24 50.524 4.010 -1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 24 50.306 2.386 -1.112 1.00 0.00 H new ATOM 433 N THR A 25 53.031 6.174 -0.912 1.00 0.00 N ATOM 434 CA THR A 25 52.830 7.601 -1.306 1.00 0.00 C ATOM 435 C THR A 25 53.693 7.955 -2.521 1.00 0.00 C ATOM 436 O THR A 25 53.350 8.833 -3.291 1.00 0.00 O ATOM 437 CB THR A 25 53.210 8.507 -0.131 1.00 0.00 C ATOM 438 OG1 THR A 25 54.274 7.912 0.595 1.00 0.00 O ATOM 439 CG2 THR A 25 52.004 8.694 0.796 1.00 0.00 C ATOM 0 H THR A 25 53.369 6.034 0.040 1.00 0.00 H new ATOM 0 HA THR A 25 51.782 7.748 -1.569 1.00 0.00 H new ATOM 0 HB THR A 25 53.522 9.479 -0.513 1.00 0.00 H new ATOM 0 HG1 THR A 25 54.888 7.470 -0.028 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.282 9.339 1.629 1.00 0.00 H new ATOM 0 HG22 THR A 25 51.185 9.151 0.240 1.00 0.00 H new ATOM 0 HG23 THR A 25 51.686 7.724 1.179 1.00 0.00 H new ATOM 447 N MET A 26 54.813 7.298 -2.692 1.00 0.00 N ATOM 448 CA MET A 26 55.699 7.623 -3.854 1.00 0.00 C ATOM 449 C MET A 26 55.253 6.867 -5.113 1.00 0.00 C ATOM 450 O MET A 26 55.547 7.278 -6.220 1.00 0.00 O ATOM 451 CB MET A 26 57.139 7.234 -3.514 1.00 0.00 C ATOM 452 CG MET A 26 58.107 8.084 -4.339 1.00 0.00 C ATOM 453 SD MET A 26 59.735 8.077 -3.549 1.00 0.00 S ATOM 454 CE MET A 26 59.639 9.730 -2.820 1.00 0.00 C ATOM 0 H MET A 26 55.152 6.554 -2.081 1.00 0.00 H new ATOM 0 HA MET A 26 55.634 8.693 -4.052 1.00 0.00 H new ATOM 0 HB2 MET A 26 57.325 7.382 -2.450 1.00 0.00 H new ATOM 0 HB3 MET A 26 57.300 6.176 -3.722 1.00 0.00 H new ATOM 0 HG2 MET A 26 58.181 7.691 -5.353 1.00 0.00 H new ATOM 0 HG3 MET A 26 57.734 9.105 -4.420 1.00 0.00 H new ATOM 0 HE1 MET A 26 60.558 9.940 -2.273 1.00 0.00 H new ATOM 0 HE2 MET A 26 59.509 10.469 -3.610 1.00 0.00 H new ATOM 0 HE3 MET A 26 58.791 9.778 -2.136 1.00 0.00 H new ATOM 464 N PHE A 27 54.564 5.765 -4.958 1.00 0.00 N ATOM 465 CA PHE A 27 54.119 4.982 -6.152 1.00 0.00 C ATOM 466 C PHE A 27 52.719 5.410 -6.608 1.00 0.00 C ATOM 467 O PHE A 27 52.285 5.052 -7.687 1.00 0.00 O ATOM 468 CB PHE A 27 54.097 3.488 -5.814 1.00 0.00 C ATOM 469 CG PHE A 27 55.492 2.923 -5.941 1.00 0.00 C ATOM 470 CD1 PHE A 27 56.068 2.762 -7.207 1.00 0.00 C ATOM 471 CD2 PHE A 27 56.210 2.564 -4.795 1.00 0.00 C ATOM 472 CE1 PHE A 27 57.363 2.242 -7.324 1.00 0.00 C ATOM 473 CE2 PHE A 27 57.502 2.044 -4.912 1.00 0.00 C ATOM 474 CZ PHE A 27 58.080 1.883 -6.175 1.00 0.00 C ATOM 0 H PHE A 27 54.290 5.373 -4.057 1.00 0.00 H new ATOM 0 HA PHE A 27 54.824 5.175 -6.960 1.00 0.00 H new ATOM 0 HB2 PHE A 27 53.723 3.339 -4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 27 53.418 2.962 -6.485 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.514 3.038 -8.092 1.00 0.00 H new ATOM 0 HD2 PHE A 27 55.765 2.689 -3.819 1.00 0.00 H new ATOM 0 HE1 PHE A 27 57.809 2.118 -8.300 1.00 0.00 H new ATOM 0 HE2 PHE A 27 58.054 1.766 -4.026 1.00 0.00 H new ATOM 0 HZ PHE A 27 59.079 1.482 -6.265 1.00 0.00 H new ATOM 484 N LEU A 28 51.996 6.145 -5.797 1.00 0.00 N ATOM 485 CA LEU A 28 50.614 6.553 -6.193 1.00 0.00 C ATOM 486 C LEU A 28 50.619 7.896 -6.938 1.00 0.00 C ATOM 487 O LEU A 28 49.605 8.566 -7.009 1.00 0.00 O ATOM 488 CB LEU A 28 49.741 6.657 -4.942 1.00 0.00 C ATOM 489 CG LEU A 28 49.426 5.250 -4.426 1.00 0.00 C ATOM 490 CD1 LEU A 28 48.666 5.348 -3.103 1.00 0.00 C ATOM 491 CD2 LEU A 28 48.566 4.508 -5.453 1.00 0.00 C ATOM 0 H LEU A 28 52.303 6.478 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 28 50.211 5.798 -6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 28 50.256 7.232 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 28 48.817 7.188 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 28 50.358 4.706 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 28 48.442 4.346 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 28 49.278 5.874 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 28 47.735 5.894 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 28 48.342 3.507 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 28 47.635 5.053 -5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 28 49.107 4.435 -6.396 1.00 0.00 H new ATOM 503 N LYS A 29 51.732 8.284 -7.513 1.00 0.00 N ATOM 504 CA LYS A 29 51.767 9.571 -8.273 1.00 0.00 C ATOM 505 C LYS A 29 51.719 9.254 -9.769 1.00 0.00 C ATOM 506 O LYS A 29 51.000 9.873 -10.529 1.00 0.00 O ATOM 507 CB LYS A 29 53.046 10.356 -7.934 1.00 0.00 C ATOM 508 CG LYS A 29 54.294 9.587 -8.390 1.00 0.00 C ATOM 509 CD LYS A 29 55.539 10.258 -7.809 1.00 0.00 C ATOM 510 CE LYS A 29 55.989 11.388 -8.736 1.00 0.00 C ATOM 511 NZ LYS A 29 56.833 12.352 -7.975 1.00 0.00 N ATOM 0 H LYS A 29 52.612 7.768 -7.489 1.00 0.00 H new ATOM 0 HA LYS A 29 50.910 10.186 -7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 29 53.018 11.332 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 29 53.095 10.534 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 29 54.238 8.550 -8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 29 54.349 9.572 -9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 29 55.323 10.652 -6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 29 56.339 9.527 -7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 29 56.552 10.981 -9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 29 55.120 11.899 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 57.138 13.120 -8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 56.282 12.750 -7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 57.669 11.860 -7.599 1.00 0.00 H new ATOM 525 N CYS A 30 52.475 8.272 -10.179 1.00 0.00 N ATOM 526 CA CYS A 30 52.493 7.861 -11.603 1.00 0.00 C ATOM 527 C CYS A 30 52.587 6.323 -11.648 1.00 0.00 C ATOM 528 O CYS A 30 53.391 5.755 -10.937 1.00 0.00 O ATOM 529 CB CYS A 30 53.710 8.472 -12.302 1.00 0.00 C ATOM 530 SG CYS A 30 53.423 10.239 -12.575 1.00 0.00 S ATOM 0 H CYS A 30 53.090 7.730 -9.572 1.00 0.00 H new ATOM 0 HA CYS A 30 51.591 8.204 -12.110 1.00 0.00 H new ATOM 0 HB2 CYS A 30 54.603 8.327 -11.694 1.00 0.00 H new ATOM 0 HB3 CYS A 30 53.887 7.970 -13.253 1.00 0.00 H new ATOM 0 HG CYS A 30 52.364 10.613 -11.920 1.00 0.00 H new ATOM 536 N PRO A 31 51.778 5.674 -12.470 1.00 0.00 N ATOM 537 CA PRO A 31 51.792 4.204 -12.583 1.00 0.00 C ATOM 538 C PRO A 31 52.838 3.761 -13.609 1.00 0.00 C ATOM 539 O PRO A 31 52.712 2.705 -14.201 1.00 0.00 O ATOM 540 CB PRO A 31 50.401 3.877 -13.125 1.00 0.00 C ATOM 541 CG PRO A 31 49.916 5.149 -13.857 1.00 0.00 C ATOM 542 CD PRO A 31 50.777 6.316 -13.343 1.00 0.00 C ATOM 0 HA PRO A 31 52.027 3.713 -11.639 1.00 0.00 H new ATOM 0 HB2 PRO A 31 50.438 3.026 -13.805 1.00 0.00 H new ATOM 0 HB3 PRO A 31 49.721 3.609 -12.316 1.00 0.00 H new ATOM 0 HG2 PRO A 31 50.021 5.037 -14.936 1.00 0.00 H new ATOM 0 HG3 PRO A 31 48.860 5.331 -13.657 1.00 0.00 H new ATOM 0 HD2 PRO A 31 51.252 6.852 -14.165 1.00 0.00 H new ATOM 0 HD3 PRO A 31 50.177 7.041 -12.794 1.00 0.00 H new ATOM 550 N LYS A 32 53.848 4.564 -13.854 1.00 0.00 N ATOM 551 CA LYS A 32 54.861 4.186 -14.871 1.00 0.00 C ATOM 552 C LYS A 32 56.295 4.198 -14.280 1.00 0.00 C ATOM 553 O LYS A 32 57.175 4.817 -14.851 1.00 0.00 O ATOM 554 CB LYS A 32 54.783 5.187 -16.029 1.00 0.00 C ATOM 555 CG LYS A 32 54.933 6.612 -15.482 1.00 0.00 C ATOM 556 CD LYS A 32 55.230 7.574 -16.636 1.00 0.00 C ATOM 557 CE LYS A 32 56.750 7.708 -16.830 1.00 0.00 C ATOM 558 NZ LYS A 32 57.140 7.241 -18.197 1.00 0.00 N ATOM 0 H LYS A 32 54.007 5.459 -13.392 1.00 0.00 H new ATOM 0 HA LYS A 32 54.650 3.173 -15.215 1.00 0.00 H new ATOM 0 HB2 LYS A 32 55.568 4.980 -16.756 1.00 0.00 H new ATOM 0 HB3 LYS A 32 53.831 5.084 -16.550 1.00 0.00 H new ATOM 0 HG2 LYS A 32 54.020 6.914 -14.969 1.00 0.00 H new ATOM 0 HG3 LYS A 32 55.738 6.648 -14.748 1.00 0.00 H new ATOM 0 HD2 LYS A 32 54.769 7.208 -17.553 1.00 0.00 H new ATOM 0 HD3 LYS A 32 54.794 8.551 -16.428 1.00 0.00 H new ATOM 0 HE2 LYS A 32 57.051 8.747 -16.693 1.00 0.00 H new ATOM 0 HE3 LYS A 32 57.273 7.122 -16.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 58.169 7.336 -18.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 56.869 6.244 -18.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 56.654 7.818 -18.913 1.00 0.00 H new ATOM 572 N PRO A 33 56.524 3.514 -13.169 1.00 0.00 N ATOM 573 CA PRO A 33 57.869 3.472 -12.566 1.00 0.00 C ATOM 574 C PRO A 33 58.777 2.529 -13.363 1.00 0.00 C ATOM 575 O PRO A 33 58.330 1.547 -13.924 1.00 0.00 O ATOM 576 CB PRO A 33 57.627 2.934 -11.156 1.00 0.00 C ATOM 577 CG PRO A 33 56.286 2.172 -11.208 1.00 0.00 C ATOM 578 CD PRO A 33 55.508 2.736 -12.416 1.00 0.00 C ATOM 0 HA PRO A 33 58.364 4.443 -12.559 1.00 0.00 H new ATOM 0 HB2 PRO A 33 58.438 2.274 -10.847 1.00 0.00 H new ATOM 0 HB3 PRO A 33 57.584 3.747 -10.431 1.00 0.00 H new ATOM 0 HG2 PRO A 33 56.453 1.101 -11.320 1.00 0.00 H new ATOM 0 HG3 PRO A 33 55.724 2.312 -10.285 1.00 0.00 H new ATOM 0 HD2 PRO A 33 55.085 1.938 -13.026 1.00 0.00 H new ATOM 0 HD3 PRO A 33 54.679 3.367 -12.097 1.00 0.00 H new ATOM 586 N SER A 34 60.047 2.830 -13.415 1.00 0.00 N ATOM 587 CA SER A 34 61.004 1.975 -14.170 1.00 0.00 C ATOM 588 C SER A 34 61.574 0.904 -13.255 1.00 0.00 C ATOM 589 O SER A 34 61.727 1.111 -12.069 1.00 0.00 O ATOM 590 CB SER A 34 62.145 2.848 -14.697 1.00 0.00 C ATOM 591 OG SER A 34 62.715 2.237 -15.847 1.00 0.00 O ATOM 0 H SER A 34 60.465 3.642 -12.961 1.00 0.00 H new ATOM 0 HA SER A 34 60.485 1.497 -15.001 1.00 0.00 H new ATOM 0 HB2 SER A 34 61.772 3.841 -14.947 1.00 0.00 H new ATOM 0 HB3 SER A 34 62.905 2.977 -13.926 1.00 0.00 H new ATOM 0 HG SER A 34 63.445 2.796 -16.187 1.00 0.00 H new ATOM 597 N LEU A 35 61.926 -0.234 -13.807 1.00 0.00 N ATOM 598 CA LEU A 35 62.545 -1.311 -12.975 1.00 0.00 C ATOM 599 C LEU A 35 63.838 -0.760 -12.378 1.00 0.00 C ATOM 600 O LEU A 35 64.276 -1.162 -11.314 1.00 0.00 O ATOM 601 CB LEU A 35 62.866 -2.520 -13.854 1.00 0.00 C ATOM 602 CG LEU A 35 61.622 -3.401 -13.963 1.00 0.00 C ATOM 603 CD1 LEU A 35 61.468 -3.903 -15.400 1.00 0.00 C ATOM 604 CD2 LEU A 35 61.754 -4.598 -13.017 1.00 0.00 C ATOM 0 H LEU A 35 61.811 -0.461 -14.795 1.00 0.00 H new ATOM 0 HA LEU A 35 61.860 -1.621 -12.186 1.00 0.00 H new ATOM 0 HB2 LEU A 35 63.183 -2.192 -14.844 1.00 0.00 H new ATOM 0 HB3 LEU A 35 63.693 -3.087 -13.426 1.00 0.00 H new ATOM 0 HG LEU A 35 60.744 -2.816 -13.688 1.00 0.00 H new ATOM 0 HD11 LEU A 35 60.580 -4.531 -15.473 1.00 0.00 H new ATOM 0 HD12 LEU A 35 61.367 -3.052 -16.074 1.00 0.00 H new ATOM 0 HD13 LEU A 35 62.347 -4.484 -15.678 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.866 -5.224 -13.097 1.00 0.00 H new ATOM 0 HD22 LEU A 35 62.634 -5.181 -13.288 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.856 -4.242 -11.992 1.00 0.00 H new ATOM 616 N GLN A 36 64.424 0.196 -13.054 1.00 0.00 N ATOM 617 CA GLN A 36 65.666 0.825 -12.533 1.00 0.00 C ATOM 618 C GLN A 36 65.271 1.653 -11.317 1.00 0.00 C ATOM 619 O GLN A 36 65.962 1.686 -10.320 1.00 0.00 O ATOM 620 CB GLN A 36 66.285 1.727 -13.609 1.00 0.00 C ATOM 621 CG GLN A 36 67.565 1.083 -14.148 1.00 0.00 C ATOM 622 CD GLN A 36 68.028 1.838 -15.395 1.00 0.00 C ATOM 623 OE1 GLN A 36 68.182 3.043 -15.368 1.00 0.00 O ATOM 624 NE2 GLN A 36 68.259 1.175 -16.494 1.00 0.00 N ATOM 0 H GLN A 36 64.092 0.565 -13.945 1.00 0.00 H new ATOM 0 HA GLN A 36 66.404 0.069 -12.263 1.00 0.00 H new ATOM 0 HB2 GLN A 36 65.574 1.881 -14.421 1.00 0.00 H new ATOM 0 HB3 GLN A 36 66.509 2.708 -13.190 1.00 0.00 H new ATOM 0 HG2 GLN A 36 68.344 1.104 -13.386 1.00 0.00 H new ATOM 0 HG3 GLN A 36 67.384 0.036 -14.390 1.00 0.00 H new ATOM 0 HE21 GLN A 36 68.130 0.163 -16.516 1.00 0.00 H new ATOM 0 HE22 GLN A 36 68.569 1.668 -17.331 1.00 0.00 H new ATOM 633 N GLN A 37 64.137 2.302 -11.398 1.00 0.00 N ATOM 634 CA GLN A 37 63.647 3.113 -10.252 1.00 0.00 C ATOM 635 C GLN A 37 63.370 2.179 -9.075 1.00 0.00 C ATOM 636 O GLN A 37 63.503 2.567 -7.933 1.00 0.00 O ATOM 637 CB GLN A 37 62.361 3.841 -10.644 1.00 0.00 C ATOM 638 CG GLN A 37 62.071 4.943 -9.624 1.00 0.00 C ATOM 639 CD GLN A 37 61.380 6.115 -10.325 1.00 0.00 C ATOM 640 OE1 GLN A 37 61.711 7.259 -10.089 1.00 0.00 O ATOM 641 NE2 GLN A 37 60.426 5.876 -11.183 1.00 0.00 N ATOM 0 H GLN A 37 63.528 2.302 -12.216 1.00 0.00 H new ATOM 0 HA GLN A 37 64.399 3.851 -9.973 1.00 0.00 H new ATOM 0 HB2 GLN A 37 62.462 4.270 -11.641 1.00 0.00 H new ATOM 0 HB3 GLN A 37 61.529 3.138 -10.683 1.00 0.00 H new ATOM 0 HG2 GLN A 37 61.437 4.557 -8.826 1.00 0.00 H new ATOM 0 HG3 GLN A 37 62.999 5.278 -9.160 1.00 0.00 H new ATOM 0 HE21 GLN A 37 60.148 4.915 -11.382 1.00 0.00 H new ATOM 0 HE22 GLN A 37 59.959 6.650 -11.655 1.00 0.00 H new ATOM 650 N ILE A 38 63.010 0.940 -9.345 1.00 0.00 N ATOM 651 CA ILE A 38 62.761 -0.019 -8.232 1.00 0.00 C ATOM 652 C ILE A 38 64.107 -0.300 -7.566 1.00 0.00 C ATOM 653 O ILE A 38 64.195 -0.457 -6.365 1.00 0.00 O ATOM 654 CB ILE A 38 62.104 -1.317 -8.769 1.00 0.00 C ATOM 655 CG1 ILE A 38 60.604 -1.071 -9.008 1.00 0.00 C ATOM 656 CG2 ILE A 38 62.254 -2.474 -7.759 1.00 0.00 C ATOM 657 CD1 ILE A 38 59.926 -0.613 -7.706 1.00 0.00 C ATOM 0 H ILE A 38 62.881 0.561 -10.283 1.00 0.00 H new ATOM 0 HA ILE A 38 62.068 0.400 -7.502 1.00 0.00 H new ATOM 0 HB ILE A 38 62.603 -1.589 -9.699 1.00 0.00 H new ATOM 0 HG12 ILE A 38 60.471 -0.314 -9.781 1.00 0.00 H new ATOM 0 HG13 ILE A 38 60.132 -1.984 -9.371 1.00 0.00 H new ATOM 0 HG21 ILE A 38 61.784 -3.371 -8.161 1.00 0.00 H new ATOM 0 HG22 ILE A 38 63.312 -2.667 -7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 38 61.772 -2.202 -6.820 1.00 0.00 H new ATOM 0 HD11 ILE A 38 58.865 -0.442 -7.889 1.00 0.00 H new ATOM 0 HD12 ILE A 38 60.044 -1.383 -6.944 1.00 0.00 H new ATOM 0 HD13 ILE A 38 60.388 0.312 -7.361 1.00 0.00 H new ATOM 669 N THR A 39 65.159 -0.334 -8.343 1.00 0.00 N ATOM 670 CA THR A 39 66.516 -0.565 -7.759 1.00 0.00 C ATOM 671 C THR A 39 66.825 0.596 -6.807 1.00 0.00 C ATOM 672 O THR A 39 67.291 0.406 -5.697 1.00 0.00 O ATOM 673 CB THR A 39 67.570 -0.615 -8.874 1.00 0.00 C ATOM 674 OG1 THR A 39 66.955 -0.981 -10.101 1.00 0.00 O ATOM 675 CG2 THR A 39 68.639 -1.646 -8.513 1.00 0.00 C ATOM 0 H THR A 39 65.138 -0.212 -9.355 1.00 0.00 H new ATOM 0 HA THR A 39 66.537 -1.514 -7.224 1.00 0.00 H new ATOM 0 HB THR A 39 68.029 0.368 -8.982 1.00 0.00 H new ATOM 0 HG1 THR A 39 67.631 -1.010 -10.810 1.00 0.00 H new ATOM 0 HG21 THR A 39 69.389 -1.684 -9.303 1.00 0.00 H new ATOM 0 HG22 THR A 39 69.115 -1.363 -7.574 1.00 0.00 H new ATOM 0 HG23 THR A 39 68.176 -2.627 -8.404 1.00 0.00 H new ATOM 683 N HIS A 40 66.525 1.798 -7.232 1.00 0.00 N ATOM 684 CA HIS A 40 66.749 2.992 -6.364 1.00 0.00 C ATOM 685 C HIS A 40 65.748 2.966 -5.206 1.00 0.00 C ATOM 686 O HIS A 40 65.964 3.581 -4.179 1.00 0.00 O ATOM 687 CB HIS A 40 66.550 4.269 -7.183 1.00 0.00 C ATOM 688 CG HIS A 40 67.790 4.546 -7.988 1.00 0.00 C ATOM 689 ND1 HIS A 40 68.962 5.006 -7.409 1.00 0.00 N ATOM 690 CD2 HIS A 40 68.056 4.429 -9.330 1.00 0.00 C ATOM 691 CE1 HIS A 40 69.871 5.149 -8.390 1.00 0.00 C ATOM 692 NE2 HIS A 40 69.371 4.811 -9.582 1.00 0.00 N ATOM 0 H HIS A 40 66.132 2.003 -8.150 1.00 0.00 H new ATOM 0 HA HIS A 40 67.766 2.972 -5.972 1.00 0.00 H new ATOM 0 HB2 HIS A 40 65.691 4.159 -7.845 1.00 0.00 H new ATOM 0 HB3 HIS A 40 66.338 5.109 -6.521 1.00 0.00 H new ATOM 0 HD2 HIS A 40 67.352 4.092 -10.077 1.00 0.00 H new ATOM 0 HE1 HIS A 40 70.882 5.495 -8.233 1.00 0.00 H new ATOM 0 HE2 HIS A 40 69.850 4.829 -10.483 1.00 0.00 H new ATOM 700 N ILE A 41 64.668 2.239 -5.356 1.00 0.00 N ATOM 701 CA ILE A 41 63.668 2.141 -4.265 1.00 0.00 C ATOM 702 C ILE A 41 64.327 1.356 -3.122 1.00 0.00 C ATOM 703 O ILE A 41 64.246 1.731 -1.980 1.00 0.00 O ATOM 704 CB ILE A 41 62.397 1.433 -4.827 1.00 0.00 C ATOM 705 CG1 ILE A 41 61.252 2.456 -4.962 1.00 0.00 C ATOM 706 CG2 ILE A 41 61.917 0.273 -3.938 1.00 0.00 C ATOM 707 CD1 ILE A 41 61.126 2.920 -6.417 1.00 0.00 C ATOM 0 H ILE A 41 64.441 1.708 -6.197 1.00 0.00 H new ATOM 0 HA ILE A 41 63.356 3.114 -3.885 1.00 0.00 H new ATOM 0 HB ILE A 41 62.671 1.018 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 41 60.314 2.009 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 41 61.441 3.312 -4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 41 61.030 -0.181 -4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 41 62.706 -0.475 -3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 41 61.675 0.652 -2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 41 60.314 3.642 -6.500 1.00 0.00 H new ATOM 0 HD12 ILE A 41 62.060 3.386 -6.732 1.00 0.00 H new ATOM 0 HD13 ILE A 41 60.915 2.062 -7.055 1.00 0.00 H new ATOM 719 N ALA A 42 64.989 0.274 -3.447 1.00 0.00 N ATOM 720 CA ALA A 42 65.665 -0.555 -2.405 1.00 0.00 C ATOM 721 C ALA A 42 66.712 0.282 -1.694 1.00 0.00 C ATOM 722 O ALA A 42 66.691 0.409 -0.486 1.00 0.00 O ATOM 723 CB ALA A 42 66.322 -1.768 -3.063 1.00 0.00 C ATOM 0 H ALA A 42 65.090 -0.073 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 42 64.930 -0.900 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 42 66.815 -2.372 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 42 65.561 -2.366 -3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 42 67.059 -1.432 -3.793 1.00 0.00 H new ATOM 729 N ASN A 43 67.600 0.892 -2.431 1.00 0.00 N ATOM 730 CA ASN A 43 68.617 1.771 -1.789 1.00 0.00 C ATOM 731 C ASN A 43 67.887 2.937 -1.097 1.00 0.00 C ATOM 732 O ASN A 43 68.434 3.604 -0.239 1.00 0.00 O ATOM 733 CB ASN A 43 69.572 2.317 -2.853 1.00 0.00 C ATOM 734 CG ASN A 43 70.474 1.188 -3.359 1.00 0.00 C ATOM 735 OD1 ASN A 43 70.442 0.845 -4.524 1.00 0.00 O ATOM 736 ND2 ASN A 43 71.283 0.593 -2.526 1.00 0.00 N ATOM 0 H ASN A 43 67.665 0.820 -3.446 1.00 0.00 H new ATOM 0 HA ASN A 43 69.193 1.205 -1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 43 69.005 2.743 -3.681 1.00 0.00 H new ATOM 0 HB3 ASN A 43 70.178 3.121 -2.435 1.00 0.00 H new ATOM 0 HD21 ASN A 43 71.888 -0.160 -2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 43 71.310 0.881 -1.548 1.00 0.00 H new ATOM 743 N GLN A 44 66.649 3.185 -1.476 1.00 0.00 N ATOM 744 CA GLN A 44 65.870 4.295 -0.865 1.00 0.00 C ATOM 745 C GLN A 44 65.351 3.900 0.530 1.00 0.00 C ATOM 746 O GLN A 44 65.220 4.745 1.396 1.00 0.00 O ATOM 747 CB GLN A 44 64.700 4.648 -1.793 1.00 0.00 C ATOM 748 CG GLN A 44 65.029 5.906 -2.606 1.00 0.00 C ATOM 749 CD GLN A 44 65.040 7.128 -1.687 1.00 0.00 C ATOM 750 OE1 GLN A 44 66.167 7.526 -1.164 1.00 0.00 O flip ATOM 751 NE2 GLN A 44 64.012 7.729 -1.445 1.00 0.00 N flip ATOM 0 H GLN A 44 66.149 2.655 -2.190 1.00 0.00 H new ATOM 0 HA GLN A 44 66.517 5.163 -0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 44 64.496 3.815 -2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 44 63.797 4.812 -1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 44 66.000 5.794 -3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 44 64.292 6.042 -3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 44 63.131 7.418 -1.854 1.00 0.00 H new ATOM 0 HE22 GLN A 44 64.030 8.545 -0.833 1.00 0.00 H new ATOM 760 N LEU A 45 65.065 2.636 0.768 1.00 0.00 N ATOM 761 CA LEU A 45 64.568 2.232 2.130 1.00 0.00 C ATOM 762 C LEU A 45 65.350 1.014 2.665 1.00 0.00 C ATOM 763 O LEU A 45 64.895 0.314 3.549 1.00 0.00 O ATOM 764 CB LEU A 45 63.045 1.961 2.083 1.00 0.00 C ATOM 765 CG LEU A 45 62.715 0.591 1.481 1.00 0.00 C ATOM 766 CD1 LEU A 45 61.277 0.204 1.839 1.00 0.00 C ATOM 767 CD2 LEU A 45 62.858 0.672 -0.030 1.00 0.00 C ATOM 0 H LEU A 45 65.152 1.878 0.091 1.00 0.00 H new ATOM 0 HA LEU A 45 64.742 3.054 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 45 62.637 2.020 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 45 62.558 2.740 1.496 1.00 0.00 H new ATOM 0 HG LEU A 45 63.396 -0.161 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 45 61.045 -0.771 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 45 61.172 0.157 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 45 60.589 0.949 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 45 62.626 -0.298 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 45 62.170 1.422 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 45 63.881 0.950 -0.284 1.00 0.00 H new ATOM 779 N GLY A 46 66.530 0.786 2.156 1.00 0.00 N ATOM 780 CA GLY A 46 67.380 -0.351 2.637 1.00 0.00 C ATOM 781 C GLY A 46 66.613 -1.688 2.706 1.00 0.00 C ATOM 782 O GLY A 46 66.974 -2.554 3.482 1.00 0.00 O ATOM 0 H GLY A 46 66.951 1.346 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 46 68.237 -0.464 1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.772 -0.112 3.625 1.00 0.00 H new ATOM 786 N LEU A 47 65.588 -1.886 1.907 1.00 0.00 N ATOM 787 CA LEU A 47 64.857 -3.202 1.959 1.00 0.00 C ATOM 788 C LEU A 47 65.320 -4.096 0.799 1.00 0.00 C ATOM 789 O LEU A 47 66.060 -3.677 -0.071 1.00 0.00 O ATOM 790 CB LEU A 47 63.307 -2.996 1.929 1.00 0.00 C ATOM 791 CG LEU A 47 62.689 -3.198 0.528 1.00 0.00 C ATOM 792 CD1 LEU A 47 61.189 -2.893 0.571 1.00 0.00 C ATOM 793 CD2 LEU A 47 63.363 -2.285 -0.495 1.00 0.00 C ATOM 0 H LEU A 47 65.229 -1.210 1.233 1.00 0.00 H new ATOM 0 HA LEU A 47 65.095 -3.695 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 47 62.842 -3.692 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 47 63.075 -1.990 2.279 1.00 0.00 H new ATOM 0 HG LEU A 47 62.844 -4.235 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 47 60.760 -3.038 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 47 60.702 -3.563 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 47 61.037 -1.861 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 47 62.913 -2.443 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 47 63.230 -1.245 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 47 64.427 -2.515 -0.543 1.00 0.00 H new ATOM 805 N GLU A 48 64.850 -5.313 0.777 1.00 0.00 N ATOM 806 CA GLU A 48 65.210 -6.242 -0.329 1.00 0.00 C ATOM 807 C GLU A 48 64.159 -6.128 -1.426 1.00 0.00 C ATOM 808 O GLU A 48 63.006 -5.843 -1.170 1.00 0.00 O ATOM 809 CB GLU A 48 65.264 -7.690 0.168 1.00 0.00 C ATOM 810 CG GLU A 48 64.025 -8.016 0.998 1.00 0.00 C ATOM 811 CD GLU A 48 63.938 -9.527 1.232 1.00 0.00 C ATOM 812 OE1 GLU A 48 64.427 -10.270 0.395 1.00 0.00 O ATOM 813 OE2 GLU A 48 63.382 -9.917 2.245 1.00 0.00 O ATOM 0 H GLU A 48 64.228 -5.705 1.483 1.00 0.00 H new ATOM 0 HA GLU A 48 66.195 -5.971 -0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 48 65.330 -8.370 -0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 48 66.161 -7.842 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 48 64.069 -7.493 1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 48 63.130 -7.667 0.484 1.00 0.00 H new ATOM 820 N LYS A 49 64.546 -6.359 -2.644 1.00 0.00 N ATOM 821 CA LYS A 49 63.574 -6.269 -3.771 1.00 0.00 C ATOM 822 C LYS A 49 62.443 -7.291 -3.592 1.00 0.00 C ATOM 823 O LYS A 49 61.429 -7.209 -4.257 1.00 0.00 O ATOM 824 CB LYS A 49 64.293 -6.535 -5.093 1.00 0.00 C ATOM 825 CG LYS A 49 65.535 -5.635 -5.207 1.00 0.00 C ATOM 826 CD LYS A 49 66.790 -6.497 -5.373 1.00 0.00 C ATOM 827 CE LYS A 49 67.961 -5.618 -5.819 1.00 0.00 C ATOM 828 NZ LYS A 49 69.246 -6.308 -5.509 1.00 0.00 N ATOM 0 H LYS A 49 65.498 -6.608 -2.913 1.00 0.00 H new ATOM 0 HA LYS A 49 63.145 -5.267 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 49 64.587 -7.583 -5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 49 63.618 -6.345 -5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 49 65.430 -4.962 -6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 49 65.626 -5.012 -4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 49 67.031 -6.991 -4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 49 66.610 -7.281 -6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 49 67.892 -5.417 -6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 49 67.921 -4.655 -5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 70.042 -5.711 -5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 69.311 -6.478 -4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 69.283 -7.217 -6.014 1.00 0.00 H new ATOM 842 N ASP A 50 62.604 -8.259 -2.716 1.00 0.00 N ATOM 843 CA ASP A 50 61.530 -9.275 -2.520 1.00 0.00 C ATOM 844 C ASP A 50 60.399 -8.693 -1.666 1.00 0.00 C ATOM 845 O ASP A 50 59.246 -9.035 -1.857 1.00 0.00 O ATOM 846 CB ASP A 50 62.112 -10.510 -1.830 1.00 0.00 C ATOM 847 CG ASP A 50 63.112 -11.194 -2.765 1.00 0.00 C ATOM 848 OD1 ASP A 50 62.671 -11.866 -3.683 1.00 0.00 O ATOM 849 OD2 ASP A 50 64.302 -11.034 -2.547 1.00 0.00 O ATOM 0 H ASP A 50 63.432 -8.384 -2.133 1.00 0.00 H new ATOM 0 HA ASP A 50 61.128 -9.557 -3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 50 62.605 -10.222 -0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 50 61.313 -11.202 -1.566 1.00 0.00 H new ATOM 854 N VAL A 51 60.700 -7.805 -0.742 1.00 0.00 N ATOM 855 CA VAL A 51 59.615 -7.211 0.087 1.00 0.00 C ATOM 856 C VAL A 51 59.053 -5.999 -0.658 1.00 0.00 C ATOM 857 O VAL A 51 57.893 -5.655 -0.511 1.00 0.00 O ATOM 858 CB VAL A 51 60.156 -6.801 1.470 1.00 0.00 C ATOM 859 CG1 VAL A 51 61.292 -5.785 1.322 1.00 0.00 C ATOM 860 CG2 VAL A 51 59.026 -6.182 2.304 1.00 0.00 C ATOM 0 H VAL A 51 61.642 -7.474 -0.533 1.00 0.00 H new ATOM 0 HA VAL A 51 58.824 -7.943 0.249 1.00 0.00 H new ATOM 0 HB VAL A 51 60.540 -7.690 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 51 61.662 -5.507 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 51 62.102 -6.227 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 51 60.922 -4.897 0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 51 59.412 -5.893 3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 51 58.637 -5.302 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 51 58.226 -6.911 2.431 1.00 0.00 H new ATOM 870 N VAL A 52 59.863 -5.357 -1.468 1.00 0.00 N ATOM 871 CA VAL A 52 59.367 -4.178 -2.229 1.00 0.00 C ATOM 872 C VAL A 52 58.517 -4.664 -3.419 1.00 0.00 C ATOM 873 O VAL A 52 57.632 -3.969 -3.883 1.00 0.00 O ATOM 874 CB VAL A 52 60.577 -3.306 -2.677 1.00 0.00 C ATOM 875 CG1 VAL A 52 60.991 -3.565 -4.137 1.00 0.00 C ATOM 876 CG2 VAL A 52 60.208 -1.829 -2.504 1.00 0.00 C ATOM 0 H VAL A 52 60.840 -5.601 -1.631 1.00 0.00 H new ATOM 0 HA VAL A 52 58.730 -3.553 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 52 61.430 -3.574 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 52 61.839 -2.929 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 52 61.273 -4.611 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 52 60.155 -3.338 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 52 61.047 -1.206 -2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 52 59.337 -1.597 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 52 59.977 -1.632 -1.457 1.00 0.00 H new ATOM 886 N ARG A 53 58.788 -5.849 -3.911 1.00 0.00 N ATOM 887 CA ARG A 53 58.011 -6.378 -5.067 1.00 0.00 C ATOM 888 C ARG A 53 56.703 -7.002 -4.577 1.00 0.00 C ATOM 889 O ARG A 53 55.666 -6.828 -5.187 1.00 0.00 O ATOM 890 CB ARG A 53 58.839 -7.434 -5.801 1.00 0.00 C ATOM 891 CG ARG A 53 58.280 -7.624 -7.212 1.00 0.00 C ATOM 892 CD ARG A 53 57.220 -8.729 -7.203 1.00 0.00 C ATOM 893 NE ARG A 53 57.806 -9.977 -7.767 1.00 0.00 N ATOM 894 CZ ARG A 53 57.287 -10.516 -8.834 1.00 0.00 C ATOM 895 NH1 ARG A 53 56.077 -11.004 -8.796 1.00 0.00 N ATOM 896 NH2 ARG A 53 57.976 -10.565 -9.940 1.00 0.00 N ATOM 0 H ARG A 53 59.516 -6.471 -3.559 1.00 0.00 H new ATOM 0 HA ARG A 53 57.782 -5.558 -5.747 1.00 0.00 H new ATOM 0 HB2 ARG A 53 59.883 -7.125 -5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 53 58.811 -8.378 -5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 53 57.844 -6.691 -7.569 1.00 0.00 H new ATOM 0 HG3 ARG A 53 59.084 -7.884 -7.900 1.00 0.00 H new ATOM 0 HD2 ARG A 53 56.870 -8.905 -6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 53 56.354 -8.423 -7.789 1.00 0.00 H new ATOM 0 HE ARG A 53 58.613 -10.410 -7.318 1.00 0.00 H new ATOM 0 HH11 ARG A 53 55.538 -10.963 -7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 53 55.671 -11.426 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 53 58.921 -10.182 -9.970 1.00 0.00 H new ATOM 0 HH22 ARG A 53 57.570 -10.987 -10.775 1.00 0.00 H new ATOM 910 N VAL A 54 56.739 -7.727 -3.483 1.00 0.00 N ATOM 911 CA VAL A 54 55.486 -8.354 -2.961 1.00 0.00 C ATOM 912 C VAL A 54 54.507 -7.257 -2.560 1.00 0.00 C ATOM 913 O VAL A 54 53.334 -7.325 -2.882 1.00 0.00 O ATOM 914 CB VAL A 54 55.807 -9.240 -1.754 1.00 0.00 C ATOM 915 CG1 VAL A 54 54.534 -9.945 -1.275 1.00 0.00 C ATOM 916 CG2 VAL A 54 56.841 -10.291 -2.160 1.00 0.00 C ATOM 0 H VAL A 54 57.578 -7.910 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 54 55.038 -8.974 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 54 56.203 -8.622 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 54 54.768 -10.574 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 54 53.792 -9.200 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 54 54.136 -10.563 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 54 57.072 -10.924 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 54 56.439 -10.904 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 54 57.750 -9.795 -2.500 1.00 0.00 H new ATOM 926 N TRP A 55 54.972 -6.234 -1.879 1.00 0.00 N ATOM 927 CA TRP A 55 54.045 -5.135 -1.494 1.00 0.00 C ATOM 928 C TRP A 55 53.561 -4.450 -2.778 1.00 0.00 C ATOM 929 O TRP A 55 52.401 -4.108 -2.885 1.00 0.00 O ATOM 930 CB TRP A 55 54.750 -4.116 -0.568 1.00 0.00 C ATOM 931 CG TRP A 55 53.977 -2.820 -0.538 1.00 0.00 C ATOM 932 CD1 TRP A 55 52.862 -2.575 0.198 1.00 0.00 C ATOM 933 CD2 TRP A 55 54.223 -1.610 -1.311 1.00 0.00 C ATOM 934 NE1 TRP A 55 52.431 -1.289 -0.069 1.00 0.00 N ATOM 935 CE2 TRP A 55 53.234 -0.657 -0.984 1.00 0.00 C ATOM 936 CE3 TRP A 55 55.204 -1.245 -2.249 1.00 0.00 C ATOM 937 CZ2 TRP A 55 53.214 0.606 -1.563 1.00 0.00 C ATOM 938 CZ3 TRP A 55 55.181 0.029 -2.838 1.00 0.00 C ATOM 939 CH2 TRP A 55 54.188 0.951 -2.495 1.00 0.00 C ATOM 0 H TRP A 55 55.940 -6.118 -1.580 1.00 0.00 H new ATOM 0 HA TRP A 55 53.198 -5.542 -0.942 1.00 0.00 H new ATOM 0 HB2 TRP A 55 54.830 -4.524 0.440 1.00 0.00 H new ATOM 0 HB3 TRP A 55 55.765 -3.935 -0.920 1.00 0.00 H new ATOM 0 HD1 TRP A 55 52.391 -3.269 0.878 1.00 0.00 H new ATOM 0 HE1 TRP A 55 51.612 -0.861 0.363 1.00 0.00 H new ATOM 0 HE3 TRP A 55 55.979 -1.948 -2.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 52.447 1.316 -1.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 55.936 0.299 -3.561 1.00 0.00 H new ATOM 0 HH2 TRP A 55 54.177 1.929 -2.952 1.00 0.00 H new ATOM 950 N PHE A 56 54.434 -4.229 -3.739 1.00 0.00 N ATOM 951 CA PHE A 56 53.975 -3.548 -4.981 1.00 0.00 C ATOM 952 C PHE A 56 53.176 -4.502 -5.861 1.00 0.00 C ATOM 953 O PHE A 56 52.544 -4.076 -6.809 1.00 0.00 O ATOM 954 CB PHE A 56 55.145 -2.939 -5.770 1.00 0.00 C ATOM 955 CG PHE A 56 54.679 -1.636 -6.405 1.00 0.00 C ATOM 956 CD1 PHE A 56 54.026 -0.676 -5.623 1.00 0.00 C ATOM 957 CD2 PHE A 56 54.876 -1.396 -7.770 1.00 0.00 C ATOM 958 CE1 PHE A 56 53.567 0.507 -6.188 1.00 0.00 C ATOM 959 CE2 PHE A 56 54.418 -0.198 -8.339 1.00 0.00 C ATOM 960 CZ PHE A 56 53.759 0.749 -7.541 1.00 0.00 C ATOM 0 H PHE A 56 55.421 -4.487 -3.713 1.00 0.00 H new ATOM 0 HA PHE A 56 53.325 -2.729 -4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 56 55.992 -2.756 -5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 56 55.485 -3.633 -6.538 1.00 0.00 H new ATOM 0 HD1 PHE A 56 53.877 -0.857 -4.569 1.00 0.00 H new ATOM 0 HD2 PHE A 56 55.378 -2.130 -8.383 1.00 0.00 H new ATOM 0 HE1 PHE A 56 53.061 1.238 -5.575 1.00 0.00 H new ATOM 0 HE2 PHE A 56 54.573 -0.005 -9.390 1.00 0.00 H new ATOM 0 HZ PHE A 56 53.400 1.668 -7.980 1.00 0.00 H new ATOM 970 N CYS A 57 53.139 -5.771 -5.536 1.00 0.00 N ATOM 971 CA CYS A 57 52.304 -6.704 -6.337 1.00 0.00 C ATOM 972 C CYS A 57 50.855 -6.386 -5.973 1.00 0.00 C ATOM 973 O CYS A 57 49.972 -6.372 -6.810 1.00 0.00 O ATOM 974 CB CYS A 57 52.646 -8.158 -5.977 1.00 0.00 C ATOM 975 SG CYS A 57 53.118 -9.073 -7.469 1.00 0.00 S ATOM 0 H CYS A 57 53.647 -6.193 -4.758 1.00 0.00 H new ATOM 0 HA CYS A 57 52.478 -6.587 -7.407 1.00 0.00 H new ATOM 0 HB2 CYS A 57 53.461 -8.180 -5.254 1.00 0.00 H new ATOM 0 HB3 CYS A 57 51.788 -8.635 -5.504 1.00 0.00 H new ATOM 0 HG CYS A 57 53.407 -10.300 -7.152 1.00 0.00 H new ATOM 981 N ASN A 58 50.626 -6.091 -4.717 1.00 0.00 N ATOM 982 CA ASN A 58 49.259 -5.722 -4.258 1.00 0.00 C ATOM 983 C ASN A 58 49.011 -4.235 -4.566 1.00 0.00 C ATOM 984 O ASN A 58 47.885 -3.817 -4.757 1.00 0.00 O ATOM 985 CB ASN A 58 49.149 -5.958 -2.749 1.00 0.00 C ATOM 986 CG ASN A 58 47.674 -6.054 -2.353 1.00 0.00 C ATOM 987 OD1 ASN A 58 47.157 -7.134 -2.148 1.00 0.00 O ATOM 988 ND2 ASN A 58 46.971 -4.961 -2.234 1.00 0.00 N ATOM 0 H ASN A 58 51.338 -6.091 -3.986 1.00 0.00 H new ATOM 0 HA ASN A 58 48.518 -6.332 -4.774 1.00 0.00 H new ATOM 0 HB2 ASN A 58 49.670 -6.875 -2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 58 49.630 -5.144 -2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 58 45.987 -5.014 -1.969 1.00 0.00 H new ATOM 0 HD22 ASN A 58 47.405 -4.054 -2.406 1.00 0.00 H new ATOM 995 N ARG A 59 50.059 -3.437 -4.630 1.00 0.00 N ATOM 996 CA ARG A 59 49.884 -1.982 -4.944 1.00 0.00 C ATOM 997 C ARG A 59 49.717 -1.804 -6.463 1.00 0.00 C ATOM 998 O ARG A 59 49.297 -0.758 -6.923 1.00 0.00 O ATOM 999 CB ARG A 59 51.115 -1.166 -4.461 1.00 0.00 C ATOM 1000 CG ARG A 59 50.692 -0.037 -3.508 1.00 0.00 C ATOM 1001 CD ARG A 59 49.534 0.785 -4.097 1.00 0.00 C ATOM 1002 NE ARG A 59 48.260 0.397 -3.428 1.00 0.00 N ATOM 1003 CZ ARG A 59 47.970 0.875 -2.248 1.00 0.00 C ATOM 1004 NH1 ARG A 59 47.358 2.022 -2.142 1.00 0.00 N ATOM 1005 NH2 ARG A 59 48.291 0.205 -1.175 1.00 0.00 N ATOM 0 H ARG A 59 51.023 -3.733 -4.478 1.00 0.00 H new ATOM 0 HA ARG A 59 48.997 -1.616 -4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 59 51.818 -1.828 -3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 59 51.636 -0.744 -5.321 1.00 0.00 H new ATOM 0 HG2 ARG A 59 50.390 -0.460 -2.550 1.00 0.00 H new ATOM 0 HG3 ARG A 59 51.543 0.616 -3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 59 49.721 1.850 -3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 59 49.461 0.613 -5.171 1.00 0.00 H new ATOM 0 HE ARG A 59 47.614 -0.242 -3.892 1.00 0.00 H new ATOM 0 HH11 ARG A 59 47.106 2.545 -2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 59 47.131 2.396 -1.220 1.00 0.00 H new ATOM 0 HH21 ARG A 59 48.769 -0.692 -1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 59 48.064 0.579 -0.253 1.00 0.00 H new ATOM 1019 N ARG A 60 50.042 -2.811 -7.247 1.00 0.00 N ATOM 1020 CA ARG A 60 49.900 -2.685 -8.726 1.00 0.00 C ATOM 1021 C ARG A 60 48.451 -2.971 -9.126 1.00 0.00 C ATOM 1022 O ARG A 60 47.842 -2.213 -9.858 1.00 0.00 O ATOM 1023 CB ARG A 60 50.831 -3.691 -9.412 1.00 0.00 C ATOM 1024 CG ARG A 60 52.109 -2.981 -9.869 1.00 0.00 C ATOM 1025 CD ARG A 60 53.155 -4.021 -10.273 1.00 0.00 C ATOM 1026 NE ARG A 60 52.573 -4.943 -11.288 1.00 0.00 N ATOM 1027 CZ ARG A 60 52.903 -6.206 -11.290 1.00 0.00 C ATOM 1028 NH1 ARG A 60 54.160 -6.553 -11.228 1.00 0.00 N ATOM 1029 NH2 ARG A 60 51.975 -7.122 -11.353 1.00 0.00 N ATOM 0 H ARG A 60 50.398 -3.710 -6.921 1.00 0.00 H new ATOM 0 HA ARG A 60 50.166 -1.674 -9.034 1.00 0.00 H new ATOM 0 HB2 ARG A 60 51.079 -4.500 -8.725 1.00 0.00 H new ATOM 0 HB3 ARG A 60 50.328 -4.142 -10.267 1.00 0.00 H new ATOM 0 HG2 ARG A 60 51.891 -2.323 -10.710 1.00 0.00 H new ATOM 0 HG3 ARG A 60 52.496 -2.354 -9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 60 54.037 -3.526 -10.679 1.00 0.00 H new ATOM 0 HD3 ARG A 60 53.480 -4.584 -9.398 1.00 0.00 H new ATOM 0 HE ARG A 60 51.916 -4.587 -11.982 1.00 0.00 H new ATOM 0 HH11 ARG A 60 54.885 -5.837 -11.178 1.00 0.00 H new ATOM 0 HH12 ARG A 60 54.417 -7.540 -11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 60 50.993 -6.851 -11.401 1.00 0.00 H new ATOM 0 HH22 ARG A 60 52.232 -8.109 -11.355 1.00 0.00 H new ATOM 1043 N GLN A 61 47.898 -4.061 -8.656 1.00 0.00 N ATOM 1044 CA GLN A 61 46.489 -4.403 -9.012 1.00 0.00 C ATOM 1045 C GLN A 61 45.550 -3.916 -7.914 1.00 0.00 C ATOM 1046 O GLN A 61 44.714 -4.651 -7.417 1.00 0.00 O ATOM 1047 CB GLN A 61 46.355 -5.919 -9.182 1.00 0.00 C ATOM 1048 CG GLN A 61 47.427 -6.426 -10.150 1.00 0.00 C ATOM 1049 CD GLN A 61 46.910 -7.671 -10.870 1.00 0.00 C ATOM 1050 OE1 GLN A 61 46.430 -7.588 -11.983 1.00 0.00 O ATOM 1051 NE2 GLN A 61 46.987 -8.831 -10.277 1.00 0.00 N ATOM 0 H GLN A 61 48.363 -4.729 -8.041 1.00 0.00 H new ATOM 0 HA GLN A 61 46.223 -3.915 -9.950 1.00 0.00 H new ATOM 0 HB2 GLN A 61 46.460 -6.414 -8.216 1.00 0.00 H new ATOM 0 HB3 GLN A 61 45.363 -6.166 -9.561 1.00 0.00 H new ATOM 0 HG2 GLN A 61 47.676 -5.650 -10.874 1.00 0.00 H new ATOM 0 HG3 GLN A 61 48.342 -6.660 -9.607 1.00 0.00 H new ATOM 0 HE21 GLN A 61 47.390 -8.900 -9.343 1.00 0.00 H new ATOM 0 HE22 GLN A 61 46.644 -9.668 -10.748 1.00 0.00 H new