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 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0639 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 -5:sc= -0.382 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 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.19) USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= -0.119 (180deg=-1.12) USER MOD Single : A 57 CYS SG : rot 78:sc= 0.0593 USER MOD Single : A 58 ASN : amide:sc= -3.33 K(o=-3.3,f=-8!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 252 N ILE A 15 50.020 7.730 -2.187 1.00 0.00 N ATOM 253 CA ILE A 15 50.740 6.511 -2.660 1.00 0.00 C ATOM 254 C ILE A 15 50.446 6.342 -4.156 1.00 0.00 C ATOM 255 O ILE A 15 49.969 5.317 -4.609 1.00 0.00 O ATOM 256 CB ILE A 15 50.300 5.255 -1.856 1.00 0.00 C ATOM 257 CG1 ILE A 15 50.806 5.365 -0.403 1.00 0.00 C ATOM 258 CG2 ILE A 15 50.862 3.953 -2.488 1.00 0.00 C ATOM 259 CD1 ILE A 15 52.345 5.349 -0.370 1.00 0.00 C ATOM 0 HA ILE A 15 51.812 6.625 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 15 49.211 5.210 -1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 15 50.435 6.285 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 15 50.414 4.538 0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 15 50.536 3.094 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 15 50.494 3.856 -3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 15 51.951 3.994 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 15 52.688 5.427 0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 15 52.709 4.417 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 15 52.730 6.191 -0.945 1.00 0.00 H new ATOM 271 N GLU A 16 50.734 7.355 -4.921 1.00 0.00 N ATOM 272 CA GLU A 16 50.496 7.281 -6.384 1.00 0.00 C ATOM 273 C GLU A 16 51.594 6.424 -7.013 1.00 0.00 C ATOM 274 O GLU A 16 52.418 5.859 -6.320 1.00 0.00 O ATOM 275 CB GLU A 16 50.527 8.695 -6.979 1.00 0.00 C ATOM 276 CG GLU A 16 49.102 9.146 -7.313 1.00 0.00 C ATOM 277 CD GLU A 16 49.129 10.585 -7.828 1.00 0.00 C ATOM 278 OE1 GLU A 16 49.492 11.463 -7.062 1.00 0.00 O ATOM 279 OE2 GLU A 16 48.786 10.786 -8.981 1.00 0.00 O ATOM 0 H GLU A 16 51.127 8.237 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 16 49.522 6.836 -6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.981 9.388 -6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 16 51.143 8.708 -7.878 1.00 0.00 H new ATOM 0 HG2 GLU A 16 48.668 8.488 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 16 48.471 9.078 -6.427 1.00 0.00 H new ATOM 286 N ASN A 17 51.615 6.322 -8.314 1.00 0.00 N ATOM 287 CA ASN A 17 52.665 5.504 -8.984 1.00 0.00 C ATOM 288 C ASN A 17 54.039 6.121 -8.713 1.00 0.00 C ATOM 289 O ASN A 17 55.045 5.436 -8.720 1.00 0.00 O ATOM 290 CB ASN A 17 52.404 5.468 -10.492 1.00 0.00 C ATOM 291 CG ASN A 17 51.573 4.230 -10.839 1.00 0.00 C ATOM 292 OD1 ASN A 17 50.368 4.309 -10.973 1.00 0.00 O ATOM 293 ND2 ASN A 17 52.172 3.080 -10.993 1.00 0.00 N ATOM 0 H ASN A 17 50.949 6.771 -8.943 1.00 0.00 H new ATOM 0 HA ASN A 17 52.640 4.487 -8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 17 51.877 6.371 -10.802 1.00 0.00 H new ATOM 0 HB3 ASN A 17 53.349 5.448 -11.035 1.00 0.00 H new ATOM 0 HD21 ASN A 17 51.628 2.249 -11.226 1.00 0.00 H new ATOM 0 HD22 ASN A 17 53.184 3.013 -10.881 1.00 0.00 H new ATOM 300 N ARG A 18 54.086 7.407 -8.470 1.00 0.00 N ATOM 301 CA ARG A 18 55.390 8.071 -8.190 1.00 0.00 C ATOM 302 C ARG A 18 55.865 7.682 -6.789 1.00 0.00 C ATOM 303 O ARG A 18 57.051 7.651 -6.522 1.00 0.00 O ATOM 304 CB ARG A 18 55.233 9.593 -8.277 1.00 0.00 C ATOM 305 CG ARG A 18 54.112 10.053 -7.339 1.00 0.00 C ATOM 306 CD ARG A 18 54.153 11.578 -7.182 1.00 0.00 C ATOM 307 NE ARG A 18 52.969 12.176 -7.861 1.00 0.00 N ATOM 308 CZ ARG A 18 53.112 12.777 -9.011 1.00 0.00 C ATOM 309 NH1 ARG A 18 53.144 12.079 -10.113 1.00 0.00 N ATOM 310 NH2 ARG A 18 53.219 14.077 -9.057 1.00 0.00 N ATOM 0 H ARG A 18 53.274 8.024 -8.454 1.00 0.00 H new ATOM 0 HA ARG A 18 56.124 7.748 -8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.169 10.081 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 18 55.006 9.886 -9.302 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.145 9.746 -7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 18 54.222 9.576 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 18 54.154 11.846 -6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 18 55.072 11.975 -7.613 1.00 0.00 H new ATOM 0 HE ARG A 18 52.048 12.116 -7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 18 53.057 11.063 -10.076 1.00 0.00 H new ATOM 0 HH12 ARG A 18 53.256 12.549 -11.011 1.00 0.00 H new ATOM 0 HH21 ARG A 18 53.191 14.622 -8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 18 53.331 14.548 -9.955 1.00 0.00 H new ATOM 324 N VAL A 19 54.952 7.380 -5.892 1.00 0.00 N ATOM 325 CA VAL A 19 55.371 6.988 -4.514 1.00 0.00 C ATOM 326 C VAL A 19 56.157 5.685 -4.591 1.00 0.00 C ATOM 327 O VAL A 19 57.206 5.544 -4.008 1.00 0.00 O ATOM 328 CB VAL A 19 54.133 6.832 -3.581 1.00 0.00 C ATOM 329 CG1 VAL A 19 53.641 5.365 -3.472 1.00 0.00 C ATOM 330 CG2 VAL A 19 54.531 7.312 -2.185 1.00 0.00 C ATOM 0 H VAL A 19 53.945 7.389 -6.056 1.00 0.00 H new ATOM 0 HA VAL A 19 56.002 7.770 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 19 53.319 7.419 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 19 52.777 5.319 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 19 53.360 5.001 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 19 54.440 4.742 -3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 19 53.681 7.213 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 19 55.360 6.708 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 19 54.837 8.357 -2.233 1.00 0.00 H new ATOM 340 N ARG A 20 55.598 4.719 -5.267 1.00 0.00 N ATOM 341 CA ARG A 20 56.247 3.386 -5.374 1.00 0.00 C ATOM 342 C ARG A 20 57.638 3.526 -5.957 1.00 0.00 C ATOM 343 O ARG A 20 58.597 3.009 -5.412 1.00 0.00 O ATOM 344 CB ARG A 20 55.408 2.478 -6.275 1.00 0.00 C ATOM 345 CG ARG A 20 54.255 1.877 -5.469 1.00 0.00 C ATOM 346 CD ARG A 20 53.581 0.776 -6.289 1.00 0.00 C ATOM 347 NE ARG A 20 53.183 1.318 -7.619 1.00 0.00 N ATOM 348 CZ ARG A 20 52.985 0.506 -8.620 1.00 0.00 C ATOM 349 NH1 ARG A 20 53.999 0.070 -9.316 1.00 0.00 N ATOM 350 NH2 ARG A 20 51.773 0.127 -8.924 1.00 0.00 N ATOM 0 H ARG A 20 54.706 4.800 -5.756 1.00 0.00 H new ATOM 0 HA ARG A 20 56.321 2.949 -4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 20 55.017 3.047 -7.119 1.00 0.00 H new ATOM 0 HB3 ARG A 20 56.030 1.683 -6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 20 54.628 1.469 -4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 20 53.531 2.652 -5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 20 54.262 -0.065 -6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 20 52.705 0.400 -5.761 1.00 0.00 H new ATOM 0 HE ARG A 20 53.066 2.323 -7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 20 54.946 0.364 -9.077 1.00 0.00 H new ATOM 0 HH12 ARG A 20 53.845 -0.565 -10.099 1.00 0.00 H new ATOM 0 HH21 ARG A 20 50.981 0.466 -8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 20 51.619 -0.508 -9.707 1.00 0.00 H new ATOM 364 N TRP A 21 57.767 4.205 -7.064 1.00 0.00 N ATOM 365 CA TRP A 21 59.115 4.341 -7.655 1.00 0.00 C ATOM 366 C TRP A 21 59.938 5.316 -6.807 1.00 0.00 C ATOM 367 O TRP A 21 61.150 5.339 -6.889 1.00 0.00 O ATOM 368 CB TRP A 21 59.025 4.718 -9.143 1.00 0.00 C ATOM 369 CG TRP A 21 59.279 3.457 -9.923 1.00 0.00 C ATOM 370 CD1 TRP A 21 60.113 3.328 -10.979 1.00 0.00 C ATOM 371 CD2 TRP A 21 58.741 2.122 -9.662 1.00 0.00 C ATOM 372 NE1 TRP A 21 60.127 1.998 -11.377 1.00 0.00 N ATOM 373 CE2 TRP A 21 59.296 1.218 -10.591 1.00 0.00 C ATOM 374 CE3 TRP A 21 57.833 1.616 -8.713 1.00 0.00 C ATOM 375 CZ2 TRP A 21 58.965 -0.144 -10.568 1.00 0.00 C ATOM 376 CZ3 TRP A 21 57.500 0.263 -8.685 1.00 0.00 C ATOM 377 CH2 TRP A 21 58.070 -0.621 -9.608 1.00 0.00 C ATOM 0 H TRP A 21 57.009 4.661 -7.572 1.00 0.00 H new ATOM 0 HA TRP A 21 59.639 3.386 -7.638 1.00 0.00 H new ATOM 0 HB2 TRP A 21 58.043 5.129 -9.380 1.00 0.00 H new ATOM 0 HB3 TRP A 21 59.760 5.483 -9.394 1.00 0.00 H new ATOM 0 HD1 TRP A 21 60.676 4.128 -11.438 1.00 0.00 H new ATOM 0 HE1 TRP A 21 60.682 1.639 -12.154 1.00 0.00 H new ATOM 0 HE3 TRP A 21 57.387 2.288 -7.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 59.400 -0.821 -11.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 56.800 -0.104 -7.949 1.00 0.00 H new ATOM 0 HH2 TRP A 21 57.818 -1.671 -9.578 1.00 0.00 H new ATOM 388 N SER A 22 59.296 6.042 -5.910 1.00 0.00 N ATOM 389 CA SER A 22 60.051 6.907 -4.972 1.00 0.00 C ATOM 390 C SER A 22 60.766 5.939 -4.023 1.00 0.00 C ATOM 391 O SER A 22 61.922 6.111 -3.687 1.00 0.00 O ATOM 392 CB SER A 22 59.090 7.811 -4.190 1.00 0.00 C ATOM 393 OG SER A 22 59.435 9.171 -4.421 1.00 0.00 O ATOM 0 H SER A 22 58.282 6.063 -5.798 1.00 0.00 H new ATOM 0 HA SER A 22 60.751 7.561 -5.491 1.00 0.00 H new ATOM 0 HB2 SER A 22 58.062 7.626 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 22 59.145 7.585 -3.125 1.00 0.00 H new ATOM 0 HG SER A 22 58.822 9.753 -3.924 1.00 0.00 H new ATOM 399 N LEU A 23 60.083 4.865 -3.647 1.00 0.00 N ATOM 400 CA LEU A 23 60.716 3.816 -2.788 1.00 0.00 C ATOM 401 C LEU A 23 61.960 3.334 -3.526 1.00 0.00 C ATOM 402 O LEU A 23 63.009 3.143 -2.956 1.00 0.00 O ATOM 403 CB LEU A 23 59.780 2.602 -2.634 1.00 0.00 C ATOM 404 CG LEU A 23 58.478 2.965 -1.922 1.00 0.00 C ATOM 405 CD1 LEU A 23 57.363 2.051 -2.446 1.00 0.00 C ATOM 406 CD2 LEU A 23 58.641 2.735 -0.416 1.00 0.00 C ATOM 0 H LEU A 23 59.114 4.680 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 23 60.936 4.230 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.552 2.194 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 23 60.292 1.819 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 23 58.232 4.010 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 23 56.426 2.298 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 23 57.250 2.194 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 23 57.619 1.011 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 23 57.713 2.993 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 23 58.877 1.687 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.449 3.361 -0.038 1.00 0.00 H new ATOM 418 N GLU A 24 61.816 3.141 -4.812 1.00 0.00 N ATOM 419 CA GLU A 24 62.956 2.669 -5.660 1.00 0.00 C ATOM 420 C GLU A 24 64.182 3.571 -5.484 1.00 0.00 C ATOM 421 O GLU A 24 65.261 3.101 -5.197 1.00 0.00 O ATOM 422 CB GLU A 24 62.533 2.696 -7.131 1.00 0.00 C ATOM 423 CG GLU A 24 63.320 1.640 -7.909 1.00 0.00 C ATOM 424 CD GLU A 24 63.494 2.100 -9.357 1.00 0.00 C ATOM 425 OE1 GLU A 24 64.054 3.167 -9.555 1.00 0.00 O ATOM 426 OE2 GLU A 24 63.065 1.380 -10.243 1.00 0.00 O ATOM 0 H GLU A 24 60.944 3.292 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 24 63.217 1.656 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 24 61.464 2.503 -7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 24 62.714 3.684 -7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 24 64.294 1.483 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 24 62.795 0.685 -7.880 1.00 0.00 H new ATOM 433 N THR A 25 64.026 4.855 -5.674 1.00 0.00 N ATOM 434 CA THR A 25 65.191 5.785 -5.540 1.00 0.00 C ATOM 435 C THR A 25 65.783 5.696 -4.131 1.00 0.00 C ATOM 436 O THR A 25 66.957 5.946 -3.930 1.00 0.00 O ATOM 437 CB THR A 25 64.737 7.224 -5.804 1.00 0.00 C ATOM 438 OG1 THR A 25 63.649 7.221 -6.718 1.00 0.00 O ATOM 439 CG2 THR A 25 65.898 8.023 -6.396 1.00 0.00 C ATOM 0 H THR A 25 63.142 5.302 -5.917 1.00 0.00 H new ATOM 0 HA THR A 25 65.951 5.498 -6.267 1.00 0.00 H new ATOM 0 HB THR A 25 64.420 7.681 -4.867 1.00 0.00 H new ATOM 0 HG1 THR A 25 63.359 8.142 -6.884 1.00 0.00 H new ATOM 0 HG21 THR A 25 65.576 9.047 -6.584 1.00 0.00 H new ATOM 0 HG22 THR A 25 66.732 8.028 -5.694 1.00 0.00 H new ATOM 0 HG23 THR A 25 66.215 7.564 -7.333 1.00 0.00 H new ATOM 447 N MET A 26 64.980 5.356 -3.156 1.00 0.00 N ATOM 448 CA MET A 26 65.493 5.268 -1.755 1.00 0.00 C ATOM 449 C MET A 26 66.240 3.945 -1.531 1.00 0.00 C ATOM 450 O MET A 26 67.129 3.864 -0.705 1.00 0.00 O ATOM 451 CB MET A 26 64.313 5.348 -0.783 1.00 0.00 C ATOM 452 CG MET A 26 63.724 6.759 -0.804 1.00 0.00 C ATOM 453 SD MET A 26 62.488 6.916 0.511 1.00 0.00 S ATOM 454 CE MET A 26 63.602 7.507 1.809 1.00 0.00 C ATOM 0 H MET A 26 63.991 5.135 -3.269 1.00 0.00 H new ATOM 0 HA MET A 26 66.184 6.094 -1.583 1.00 0.00 H new ATOM 0 HB2 MET A 26 63.550 4.621 -1.061 1.00 0.00 H new ATOM 0 HB3 MET A 26 64.642 5.096 0.225 1.00 0.00 H new ATOM 0 HG2 MET A 26 64.514 7.497 -0.665 1.00 0.00 H new ATOM 0 HG3 MET A 26 63.267 6.960 -1.773 1.00 0.00 H new ATOM 0 HE1 MET A 26 63.037 7.672 2.726 1.00 0.00 H new ATOM 0 HE2 MET A 26 64.378 6.763 1.990 1.00 0.00 H new ATOM 0 HE3 MET A 26 64.064 8.443 1.494 1.00 0.00 H new ATOM 464 N PHE A 27 65.874 2.909 -2.242 1.00 0.00 N ATOM 465 CA PHE A 27 66.543 1.585 -2.056 1.00 0.00 C ATOM 466 C PHE A 27 67.724 1.414 -3.020 1.00 0.00 C ATOM 467 O PHE A 27 68.518 0.503 -2.869 1.00 0.00 O ATOM 468 CB PHE A 27 65.521 0.466 -2.296 1.00 0.00 C ATOM 469 CG PHE A 27 64.674 0.294 -1.058 1.00 0.00 C ATOM 470 CD1 PHE A 27 65.224 -0.280 0.094 1.00 0.00 C ATOM 471 CD2 PHE A 27 63.339 0.717 -1.058 1.00 0.00 C ATOM 472 CE1 PHE A 27 64.440 -0.430 1.245 1.00 0.00 C ATOM 473 CE2 PHE A 27 62.555 0.565 0.090 1.00 0.00 C ATOM 474 CZ PHE A 27 63.105 -0.008 1.241 1.00 0.00 C ATOM 0 H PHE A 27 65.137 2.923 -2.947 1.00 0.00 H new ATOM 0 HA PHE A 27 66.928 1.535 -1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 27 64.891 0.710 -3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 27 66.033 -0.466 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 27 66.253 -0.607 0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 27 62.914 1.161 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 27 64.865 -0.871 2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 27 61.525 0.890 0.088 1.00 0.00 H new ATOM 0 HZ PHE A 27 62.499 -0.125 2.128 1.00 0.00 H new ATOM 484 N LEU A 28 67.842 2.255 -4.019 1.00 0.00 N ATOM 485 CA LEU A 28 68.962 2.107 -4.996 1.00 0.00 C ATOM 486 C LEU A 28 70.186 2.929 -4.573 1.00 0.00 C ATOM 487 O LEU A 28 71.029 3.254 -5.388 1.00 0.00 O ATOM 488 CB LEU A 28 68.481 2.542 -6.382 1.00 0.00 C ATOM 489 CG LEU A 28 67.366 1.596 -6.844 1.00 0.00 C ATOM 490 CD1 LEU A 28 66.798 2.076 -8.180 1.00 0.00 C ATOM 491 CD2 LEU A 28 67.925 0.178 -7.006 1.00 0.00 C ATOM 0 H LEU A 28 67.211 3.036 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 28 69.265 1.060 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 28 68.114 3.568 -6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 28 69.309 2.523 -7.091 1.00 0.00 H new ATOM 0 HG LEU A 28 66.572 1.590 -6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.006 1.400 -8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.392 3.081 -8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 28 67.591 2.090 -8.928 1.00 0.00 H new ATOM 0 HD21 LEU A 28 67.130 -0.491 -7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 28 68.723 0.184 -7.748 1.00 0.00 H new ATOM 0 HD23 LEU A 28 68.320 -0.169 -6.051 1.00 0.00 H new ATOM 503 N LYS A 29 70.306 3.243 -3.307 1.00 0.00 N ATOM 504 CA LYS A 29 71.494 4.014 -2.833 1.00 0.00 C ATOM 505 C LYS A 29 72.412 3.054 -2.074 1.00 0.00 C ATOM 506 O LYS A 29 73.621 3.089 -2.200 1.00 0.00 O ATOM 507 CB LYS A 29 71.046 5.164 -1.912 1.00 0.00 C ATOM 508 CG LYS A 29 70.392 4.612 -0.634 1.00 0.00 C ATOM 509 CD LYS A 29 69.638 5.736 0.086 1.00 0.00 C ATOM 510 CE LYS A 29 69.858 5.619 1.597 1.00 0.00 C ATOM 511 NZ LYS A 29 68.892 4.638 2.165 1.00 0.00 N ATOM 0 H LYS A 29 69.632 2.998 -2.582 1.00 0.00 H new ATOM 0 HA LYS A 29 72.025 4.447 -3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 29 71.905 5.782 -1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 29 70.341 5.806 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 29 69.706 3.803 -0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 29 71.153 4.192 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 29 69.987 6.706 -0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 29 68.574 5.677 -0.142 1.00 0.00 H new ATOM 0 HE2 LYS A 29 70.880 5.300 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 29 69.726 6.592 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 69.041 4.558 3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 67.921 4.960 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 69.039 3.709 1.721 1.00 0.00 H new ATOM 525 N CYS A 30 71.821 2.187 -1.298 1.00 0.00 N ATOM 526 CA CYS A 30 72.600 1.194 -0.523 1.00 0.00 C ATOM 527 C CYS A 30 71.828 -0.143 -0.547 1.00 0.00 C ATOM 528 O CYS A 30 70.639 -0.148 -0.300 1.00 0.00 O ATOM 529 CB CYS A 30 72.747 1.673 0.922 1.00 0.00 C ATOM 530 SG CYS A 30 73.628 3.254 0.946 1.00 0.00 S ATOM 0 H CYS A 30 70.811 2.128 -1.170 1.00 0.00 H new ATOM 0 HA CYS A 30 73.592 1.068 -0.956 1.00 0.00 H new ATOM 0 HB2 CYS A 30 71.765 1.785 1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 30 73.291 0.932 1.509 1.00 0.00 H new ATOM 0 HG CYS A 30 74.023 3.549 -0.257 1.00 0.00 H new ATOM 536 N PRO A 31 72.501 -1.245 -0.840 1.00 0.00 N ATOM 537 CA PRO A 31 71.853 -2.568 -0.888 1.00 0.00 C ATOM 538 C PRO A 31 71.842 -3.204 0.503 1.00 0.00 C ATOM 539 O PRO A 31 71.786 -4.414 0.628 1.00 0.00 O ATOM 540 CB PRO A 31 72.773 -3.383 -1.795 1.00 0.00 C ATOM 541 CG PRO A 31 74.164 -2.711 -1.711 1.00 0.00 C ATOM 542 CD PRO A 31 73.940 -1.290 -1.162 1.00 0.00 C ATOM 0 HA PRO A 31 70.821 -2.516 -1.235 1.00 0.00 H new ATOM 0 HB2 PRO A 31 72.822 -4.422 -1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 31 72.404 -3.388 -2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 31 74.828 -3.277 -1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 31 74.636 -2.676 -2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 31 74.551 -1.104 -0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 31 74.206 -0.532 -1.899 1.00 0.00 H new ATOM 550 N LYS A 32 71.927 -2.413 1.550 1.00 0.00 N ATOM 551 CA LYS A 32 71.955 -2.997 2.913 1.00 0.00 C ATOM 552 C LYS A 32 70.802 -2.455 3.799 1.00 0.00 C ATOM 553 O LYS A 32 71.050 -2.055 4.922 1.00 0.00 O ATOM 554 CB LYS A 32 73.299 -2.637 3.554 1.00 0.00 C ATOM 555 CG LYS A 32 73.464 -1.111 3.565 1.00 0.00 C ATOM 556 CD LYS A 32 74.148 -0.683 4.865 1.00 0.00 C ATOM 557 CE LYS A 32 74.772 0.701 4.684 1.00 0.00 C ATOM 558 NZ LYS A 32 75.939 0.842 5.599 1.00 0.00 N ATOM 0 H LYS A 32 71.977 -1.395 1.510 1.00 0.00 H new ATOM 0 HA LYS A 32 71.828 -4.077 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 32 73.346 -3.027 4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 32 74.115 -3.098 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 32 74.056 -0.792 2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 32 72.491 -0.628 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 32 73.424 -0.663 5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 32 74.916 -1.406 5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 32 75.088 0.837 3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 32 74.034 1.475 4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 76.364 1.783 5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 75.624 0.730 6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 76.645 0.112 5.376 1.00 0.00 H new ATOM 572 N PRO A 33 69.569 -2.463 3.312 1.00 0.00 N ATOM 573 CA PRO A 33 68.433 -1.984 4.119 1.00 0.00 C ATOM 574 C PRO A 33 68.046 -3.047 5.150 1.00 0.00 C ATOM 575 O PRO A 33 67.899 -4.210 4.826 1.00 0.00 O ATOM 576 CB PRO A 33 67.308 -1.790 3.102 1.00 0.00 C ATOM 577 CG PRO A 33 67.656 -2.691 1.900 1.00 0.00 C ATOM 578 CD PRO A 33 69.177 -2.930 1.957 1.00 0.00 C ATOM 0 HA PRO A 33 68.656 -1.071 4.671 1.00 0.00 H new ATOM 0 HB2 PRO A 33 66.344 -2.066 3.530 1.00 0.00 H new ATOM 0 HB3 PRO A 33 67.234 -0.746 2.798 1.00 0.00 H new ATOM 0 HG2 PRO A 33 67.113 -3.635 1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 33 67.374 -2.213 0.962 1.00 0.00 H new ATOM 0 HD2 PRO A 33 69.420 -3.983 1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 33 69.697 -2.373 1.178 1.00 0.00 H new ATOM 586 N SER A 34 67.875 -2.655 6.385 1.00 0.00 N ATOM 587 CA SER A 34 67.489 -3.631 7.439 1.00 0.00 C ATOM 588 C SER A 34 65.986 -3.828 7.399 1.00 0.00 C ATOM 589 O SER A 34 65.252 -2.921 7.061 1.00 0.00 O ATOM 590 CB SER A 34 67.895 -3.086 8.810 1.00 0.00 C ATOM 591 OG SER A 34 69.182 -3.584 9.150 1.00 0.00 O ATOM 0 H SER A 34 67.988 -1.694 6.708 1.00 0.00 H new ATOM 0 HA SER A 34 67.992 -4.582 7.265 1.00 0.00 H new ATOM 0 HB2 SER A 34 67.907 -1.996 8.792 1.00 0.00 H new ATOM 0 HB3 SER A 34 67.166 -3.384 9.563 1.00 0.00 H new ATOM 0 HG SER A 34 69.446 -3.236 10.027 1.00 0.00 H new ATOM 597 N LEU A 35 65.510 -4.997 7.763 1.00 0.00 N ATOM 598 CA LEU A 35 64.034 -5.215 7.776 1.00 0.00 C ATOM 599 C LEU A 35 63.419 -4.212 8.775 1.00 0.00 C ATOM 600 O LEU A 35 62.262 -3.846 8.677 1.00 0.00 O ATOM 601 CB LEU A 35 63.712 -6.683 8.149 1.00 0.00 C ATOM 602 CG LEU A 35 63.857 -6.934 9.657 1.00 0.00 C ATOM 603 CD1 LEU A 35 63.250 -8.294 10.008 1.00 0.00 C ATOM 604 CD2 LEU A 35 65.338 -6.927 10.045 1.00 0.00 C ATOM 0 H LEU A 35 66.074 -5.798 8.047 1.00 0.00 H new ATOM 0 HA LEU A 35 63.604 -5.044 6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 35 62.695 -6.923 7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 35 64.379 -7.351 7.604 1.00 0.00 H new ATOM 0 HG LEU A 35 63.337 -6.147 10.202 1.00 0.00 H new ATOM 0 HD11 LEU A 35 63.353 -8.473 11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 35 62.194 -8.302 9.738 1.00 0.00 H new ATOM 0 HD13 LEU A 35 63.771 -9.078 9.458 1.00 0.00 H new ATOM 0 HD21 LEU A 35 65.434 -7.106 11.116 1.00 0.00 H new ATOM 0 HD22 LEU A 35 65.861 -7.711 9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 35 65.774 -5.959 9.798 1.00 0.00 H new ATOM 616 N GLN A 36 64.217 -3.733 9.711 1.00 0.00 N ATOM 617 CA GLN A 36 63.706 -2.719 10.675 1.00 0.00 C ATOM 618 C GLN A 36 63.549 -1.429 9.891 1.00 0.00 C ATOM 619 O GLN A 36 62.571 -0.717 10.020 1.00 0.00 O ATOM 620 CB GLN A 36 64.703 -2.519 11.818 1.00 0.00 C ATOM 621 CG GLN A 36 63.958 -2.016 13.056 1.00 0.00 C ATOM 622 CD GLN A 36 64.938 -1.877 14.221 1.00 0.00 C ATOM 623 OE1 GLN A 36 65.027 -2.748 15.063 1.00 0.00 O ATOM 624 NE2 GLN A 36 65.684 -0.810 14.306 1.00 0.00 N ATOM 0 H GLN A 36 65.192 -4.004 9.841 1.00 0.00 H new ATOM 0 HA GLN A 36 62.761 -3.037 11.117 1.00 0.00 H new ATOM 0 HB2 GLN A 36 65.211 -3.457 12.041 1.00 0.00 H new ATOM 0 HB3 GLN A 36 65.471 -1.803 11.525 1.00 0.00 H new ATOM 0 HG2 GLN A 36 63.489 -1.055 12.845 1.00 0.00 H new ATOM 0 HG3 GLN A 36 63.160 -2.710 13.320 1.00 0.00 H new ATOM 0 HE21 GLN A 36 65.610 -0.078 13.599 1.00 0.00 H new ATOM 0 HE22 GLN A 36 66.341 -0.708 15.079 1.00 0.00 H new ATOM 633 N GLN A 37 64.498 -1.160 9.031 1.00 0.00 N ATOM 634 CA GLN A 37 64.411 0.042 8.166 1.00 0.00 C ATOM 635 C GLN A 37 63.194 -0.121 7.246 1.00 0.00 C ATOM 636 O GLN A 37 62.625 0.851 6.792 1.00 0.00 O ATOM 637 CB GLN A 37 65.682 0.163 7.325 1.00 0.00 C ATOM 638 CG GLN A 37 65.713 1.530 6.640 1.00 0.00 C ATOM 639 CD GLN A 37 67.041 1.698 5.899 1.00 0.00 C ATOM 640 OE1 GLN A 37 68.058 1.969 6.506 1.00 0.00 O ATOM 641 NE2 GLN A 37 67.073 1.547 4.604 1.00 0.00 N ATOM 0 H GLN A 37 65.333 -1.729 8.894 1.00 0.00 H new ATOM 0 HA GLN A 37 64.307 0.941 8.774 1.00 0.00 H new ATOM 0 HB2 GLN A 37 66.562 0.041 7.957 1.00 0.00 H new ATOM 0 HB3 GLN A 37 65.714 -0.630 6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 37 64.881 1.618 5.942 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.594 2.322 7.379 1.00 0.00 H new ATOM 0 HE21 GLN A 37 66.218 1.319 4.096 1.00 0.00 H new ATOM 0 HE22 GLN A 37 67.953 1.656 4.099 1.00 0.00 H new ATOM 650 N ILE A 38 62.769 -1.350 6.996 1.00 0.00 N ATOM 651 CA ILE A 38 61.565 -1.565 6.144 1.00 0.00 C ATOM 652 C ILE A 38 60.356 -1.124 6.963 1.00 0.00 C ATOM 653 O ILE A 38 59.415 -0.573 6.438 1.00 0.00 O ATOM 654 CB ILE A 38 61.451 -3.052 5.715 1.00 0.00 C ATOM 655 CG1 ILE A 38 62.420 -3.316 4.550 1.00 0.00 C ATOM 656 CG2 ILE A 38 60.017 -3.387 5.244 1.00 0.00 C ATOM 657 CD1 ILE A 38 62.080 -2.407 3.354 1.00 0.00 C ATOM 0 H ILE A 38 63.209 -2.200 7.348 1.00 0.00 H new ATOM 0 HA ILE A 38 61.629 -0.984 5.224 1.00 0.00 H new ATOM 0 HB ILE A 38 61.696 -3.676 6.575 1.00 0.00 H new ATOM 0 HG12 ILE A 38 63.445 -3.135 4.873 1.00 0.00 H new ATOM 0 HG13 ILE A 38 62.361 -4.362 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 38 59.966 -4.435 4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 38 59.315 -3.204 6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 38 59.757 -2.758 4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 38 62.774 -2.605 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 38 61.062 -2.609 3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 38 62.163 -1.363 3.655 1.00 0.00 H new ATOM 669 N THR A 39 60.398 -1.339 8.253 1.00 0.00 N ATOM 670 CA THR A 39 59.273 -0.894 9.127 1.00 0.00 C ATOM 671 C THR A 39 59.210 0.633 9.045 1.00 0.00 C ATOM 672 O THR A 39 58.150 1.227 8.991 1.00 0.00 O ATOM 673 CB THR A 39 59.531 -1.332 10.572 1.00 0.00 C ATOM 674 OG1 THR A 39 60.053 -2.654 10.578 1.00 0.00 O ATOM 675 CG2 THR A 39 58.221 -1.294 11.359 1.00 0.00 C ATOM 0 H THR A 39 61.165 -1.804 8.739 1.00 0.00 H new ATOM 0 HA THR A 39 58.331 -1.336 8.802 1.00 0.00 H new ATOM 0 HB THR A 39 60.250 -0.656 11.035 1.00 0.00 H new ATOM 0 HG1 THR A 39 60.220 -2.935 11.502 1.00 0.00 H new ATOM 0 HG21 THR A 39 58.405 -1.606 12.387 1.00 0.00 H new ATOM 0 HG22 THR A 39 57.822 -0.280 11.353 1.00 0.00 H new ATOM 0 HG23 THR A 39 57.500 -1.970 10.899 1.00 0.00 H new ATOM 683 N HIS A 40 60.359 1.258 8.993 1.00 0.00 N ATOM 684 CA HIS A 40 60.414 2.745 8.865 1.00 0.00 C ATOM 685 C HIS A 40 59.978 3.138 7.451 1.00 0.00 C ATOM 686 O HIS A 40 59.505 4.235 7.224 1.00 0.00 O ATOM 687 CB HIS A 40 61.847 3.226 9.107 1.00 0.00 C ATOM 688 CG HIS A 40 62.068 3.444 10.579 1.00 0.00 C ATOM 689 ND1 HIS A 40 62.678 2.496 11.384 1.00 0.00 N ATOM 690 CD2 HIS A 40 61.769 4.500 11.405 1.00 0.00 C ATOM 691 CE1 HIS A 40 62.727 2.995 12.633 1.00 0.00 C ATOM 692 NE2 HIS A 40 62.186 4.214 12.701 1.00 0.00 N ATOM 0 H HIS A 40 61.268 0.797 9.034 1.00 0.00 H new ATOM 0 HA HIS A 40 59.751 3.203 9.599 1.00 0.00 H new ATOM 0 HB2 HIS A 40 62.556 2.490 8.728 1.00 0.00 H new ATOM 0 HB3 HIS A 40 62.027 4.152 8.562 1.00 0.00 H new ATOM 0 HD2 HIS A 40 61.284 5.414 11.095 1.00 0.00 H new ATOM 0 HE1 HIS A 40 63.152 2.473 13.478 1.00 0.00 H new ATOM 0 HE2 HIS A 40 62.098 4.808 13.526 1.00 0.00 H new ATOM 700 N ILE A 41 60.122 2.243 6.503 1.00 0.00 N ATOM 701 CA ILE A 41 59.705 2.544 5.109 1.00 0.00 C ATOM 702 C ILE A 41 58.171 2.625 5.091 1.00 0.00 C ATOM 703 O ILE A 41 57.599 3.508 4.497 1.00 0.00 O ATOM 704 CB ILE A 41 60.259 1.423 4.174 1.00 0.00 C ATOM 705 CG1 ILE A 41 61.468 1.964 3.388 1.00 0.00 C ATOM 706 CG2 ILE A 41 59.210 0.912 3.168 1.00 0.00 C ATOM 707 CD1 ILE A 41 62.773 1.477 4.027 1.00 0.00 C ATOM 0 H ILE A 41 60.514 1.312 6.643 1.00 0.00 H new ATOM 0 HA ILE A 41 60.102 3.494 4.750 1.00 0.00 H new ATOM 0 HB ILE A 41 60.543 0.587 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 41 61.416 1.632 2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 41 61.445 3.054 3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 41 59.652 0.134 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 41 58.357 0.503 3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 41 58.878 1.737 2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 41 63.621 1.865 3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 41 62.829 1.831 5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 41 62.799 0.387 4.017 1.00 0.00 H new ATOM 719 N ALA A 42 57.514 1.707 5.752 1.00 0.00 N ATOM 720 CA ALA A 42 56.026 1.710 5.782 1.00 0.00 C ATOM 721 C ALA A 42 55.547 2.978 6.461 1.00 0.00 C ATOM 722 O ALA A 42 54.776 3.731 5.903 1.00 0.00 O ATOM 723 CB ALA A 42 55.522 0.481 6.538 1.00 0.00 C ATOM 0 H ALA A 42 57.952 0.949 6.276 1.00 0.00 H new ATOM 0 HA ALA A 42 55.636 1.677 4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 42 54.432 0.487 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 42 55.871 -0.422 6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 42 55.903 0.500 7.559 1.00 0.00 H new ATOM 729 N ASN A 43 56.035 3.245 7.640 1.00 0.00 N ATOM 730 CA ASN A 43 55.651 4.502 8.336 1.00 0.00 C ATOM 731 C ASN A 43 56.128 5.696 7.490 1.00 0.00 C ATOM 732 O ASN A 43 55.669 6.810 7.657 1.00 0.00 O ATOM 733 CB ASN A 43 56.322 4.552 9.709 1.00 0.00 C ATOM 734 CG ASN A 43 55.407 5.269 10.703 1.00 0.00 C ATOM 735 OD1 ASN A 43 55.631 6.416 11.034 1.00 0.00 O ATOM 736 ND2 ASN A 43 54.378 4.637 11.196 1.00 0.00 N ATOM 0 H ASN A 43 56.683 2.646 8.151 1.00 0.00 H new ATOM 0 HA ASN A 43 54.569 4.541 8.465 1.00 0.00 H new ATOM 0 HB2 ASN A 43 56.534 3.541 10.058 1.00 0.00 H new ATOM 0 HB3 ASN A 43 57.278 5.072 9.639 1.00 0.00 H new ATOM 0 HD21 ASN A 43 53.761 5.106 11.859 1.00 0.00 H new ATOM 0 HD22 ASN A 43 54.190 3.674 10.918 1.00 0.00 H new ATOM 743 N GLN A 44 57.060 5.463 6.586 1.00 0.00 N ATOM 744 CA GLN A 44 57.584 6.560 5.735 1.00 0.00 C ATOM 745 C GLN A 44 56.557 6.952 4.663 1.00 0.00 C ATOM 746 O GLN A 44 56.460 8.110 4.302 1.00 0.00 O ATOM 747 CB GLN A 44 58.893 6.096 5.083 1.00 0.00 C ATOM 748 CG GLN A 44 60.091 6.763 5.766 1.00 0.00 C ATOM 749 CD GLN A 44 60.086 8.262 5.463 1.00 0.00 C ATOM 750 OE1 GLN A 44 60.146 8.662 4.318 1.00 0.00 O ATOM 751 NE2 GLN A 44 60.016 9.114 6.450 1.00 0.00 N ATOM 0 H GLN A 44 57.475 4.548 6.409 1.00 0.00 H new ATOM 0 HA GLN A 44 57.773 7.440 6.350 1.00 0.00 H new ATOM 0 HB2 GLN A 44 58.980 5.012 5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 44 58.886 6.343 4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 44 60.046 6.599 6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 44 61.020 6.314 5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 44 59.966 8.778 7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 44 60.012 10.116 6.259 1.00 0.00 H new ATOM 760 N LEU A 45 55.787 6.013 4.154 1.00 0.00 N ATOM 761 CA LEU A 45 54.769 6.378 3.107 1.00 0.00 C ATOM 762 C LEU A 45 53.344 5.969 3.534 1.00 0.00 C ATOM 763 O LEU A 45 52.427 5.977 2.736 1.00 0.00 O ATOM 764 CB LEU A 45 55.157 5.751 1.749 1.00 0.00 C ATOM 765 CG LEU A 45 54.853 4.254 1.694 1.00 0.00 C ATOM 766 CD1 LEU A 45 54.837 3.793 0.230 1.00 0.00 C ATOM 767 CD2 LEU A 45 55.939 3.507 2.458 1.00 0.00 C ATOM 0 H LEU A 45 55.817 5.027 4.412 1.00 0.00 H new ATOM 0 HA LEU A 45 54.765 7.462 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.618 6.259 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 45 56.220 5.911 1.568 1.00 0.00 H new ATOM 0 HG LEU A 45 53.881 4.050 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 45 54.620 2.726 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 45 54.069 4.341 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 45 55.810 3.984 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 45 55.735 2.437 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 45 56.908 3.705 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 45 55.952 3.844 3.494 1.00 0.00 H new ATOM 779 N GLY A 46 53.146 5.650 4.786 1.00 0.00 N ATOM 780 CA GLY A 46 51.782 5.280 5.275 1.00 0.00 C ATOM 781 C GLY A 46 51.178 4.108 4.479 1.00 0.00 C ATOM 782 O GLY A 46 49.970 3.971 4.418 1.00 0.00 O ATOM 0 H GLY A 46 53.876 5.629 5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 46 51.836 5.011 6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 46 51.124 6.146 5.200 1.00 0.00 H new ATOM 786 N LEU A 47 51.985 3.253 3.891 1.00 0.00 N ATOM 787 CA LEU A 47 51.403 2.088 3.133 1.00 0.00 C ATOM 788 C LEU A 47 51.446 0.835 4.018 1.00 0.00 C ATOM 789 O LEU A 47 51.990 0.850 5.107 1.00 0.00 O ATOM 790 CB LEU A 47 52.145 1.853 1.776 1.00 0.00 C ATOM 791 CG LEU A 47 53.243 0.768 1.849 1.00 0.00 C ATOM 792 CD1 LEU A 47 54.009 0.721 0.524 1.00 0.00 C ATOM 793 CD2 LEU A 47 54.217 1.066 2.984 1.00 0.00 C ATOM 0 H LEU A 47 53.004 3.306 3.900 1.00 0.00 H new ATOM 0 HA LEU A 47 50.366 2.314 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 47 51.416 1.569 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 47 52.594 2.791 1.450 1.00 0.00 H new ATOM 0 HG LEU A 47 52.767 -0.195 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 47 54.783 -0.045 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 47 53.320 0.484 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 47 54.471 1.690 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 47 54.983 0.291 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 47 54.688 2.034 2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 47 53.677 1.086 3.931 1.00 0.00 H new ATOM 805 N GLU A 48 50.892 -0.245 3.541 1.00 0.00 N ATOM 806 CA GLU A 48 50.907 -1.506 4.323 1.00 0.00 C ATOM 807 C GLU A 48 52.162 -2.293 3.956 1.00 0.00 C ATOM 808 O GLU A 48 52.655 -2.216 2.847 1.00 0.00 O ATOM 809 CB GLU A 48 49.663 -2.338 3.998 1.00 0.00 C ATOM 810 CG GLU A 48 49.255 -3.149 5.231 1.00 0.00 C ATOM 811 CD GLU A 48 47.823 -3.660 5.058 1.00 0.00 C ATOM 812 OE1 GLU A 48 46.939 -2.839 4.878 1.00 0.00 O ATOM 813 OE2 GLU A 48 47.634 -4.863 5.108 1.00 0.00 O ATOM 0 H GLU A 48 50.427 -0.305 2.635 1.00 0.00 H new ATOM 0 HA GLU A 48 50.907 -1.278 5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 48 48.845 -1.685 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 48 49.868 -3.006 3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 48 49.937 -3.988 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 48 49.326 -2.530 6.126 1.00 0.00 H new ATOM 820 N LYS A 49 52.679 -3.049 4.879 1.00 0.00 N ATOM 821 CA LYS A 49 53.908 -3.848 4.603 1.00 0.00 C ATOM 822 C LYS A 49 53.658 -4.841 3.461 1.00 0.00 C ATOM 823 O LYS A 49 54.589 -5.388 2.904 1.00 0.00 O ATOM 824 CB LYS A 49 54.309 -4.611 5.868 1.00 0.00 C ATOM 825 CG LYS A 49 55.023 -3.658 6.840 1.00 0.00 C ATOM 826 CD LYS A 49 54.418 -3.799 8.241 1.00 0.00 C ATOM 827 CE LYS A 49 55.300 -3.073 9.261 1.00 0.00 C ATOM 828 NZ LYS A 49 56.152 -4.065 9.976 1.00 0.00 N ATOM 0 H LYS A 49 52.302 -3.151 5.821 1.00 0.00 H new ATOM 0 HA LYS A 49 54.711 -3.172 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 49 53.425 -5.037 6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 49 54.965 -5.443 5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 49 56.089 -3.885 6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 49 54.925 -2.629 6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 49 53.411 -3.383 8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 49 54.332 -4.853 8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 49 55.926 -2.336 8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 49 54.679 -2.530 9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 56.321 -3.740 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 55.669 -4.986 9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 57.061 -4.162 9.481 1.00 0.00 H new ATOM 842 N ASP A 50 52.416 -5.092 3.112 1.00 0.00 N ATOM 843 CA ASP A 50 52.129 -6.059 2.014 1.00 0.00 C ATOM 844 C ASP A 50 52.451 -5.440 0.651 1.00 0.00 C ATOM 845 O ASP A 50 52.885 -6.137 -0.251 1.00 0.00 O ATOM 846 CB ASP A 50 50.652 -6.460 2.056 1.00 0.00 C ATOM 847 CG ASP A 50 50.435 -7.500 3.156 1.00 0.00 C ATOM 848 OD1 ASP A 50 50.256 -7.101 4.295 1.00 0.00 O ATOM 849 OD2 ASP A 50 50.451 -8.679 2.841 1.00 0.00 O ATOM 0 H ASP A 50 51.594 -4.668 3.542 1.00 0.00 H new ATOM 0 HA ASP A 50 52.755 -6.940 2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 50 50.032 -5.583 2.243 1.00 0.00 H new ATOM 0 HB3 ASP A 50 50.347 -6.867 1.092 1.00 0.00 H new ATOM 854 N VAL A 51 52.263 -4.148 0.480 1.00 0.00 N ATOM 855 CA VAL A 51 52.583 -3.535 -0.843 1.00 0.00 C ATOM 856 C VAL A 51 54.064 -3.135 -0.855 1.00 0.00 C ATOM 857 O VAL A 51 54.693 -3.083 -1.897 1.00 0.00 O ATOM 858 CB VAL A 51 51.678 -2.316 -1.088 1.00 0.00 C ATOM 859 CG1 VAL A 51 51.857 -1.293 0.035 1.00 0.00 C ATOM 860 CG2 VAL A 51 52.028 -1.671 -2.435 1.00 0.00 C ATOM 0 H VAL A 51 51.908 -3.506 1.189 1.00 0.00 H new ATOM 0 HA VAL A 51 52.402 -4.251 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 51 50.639 -2.646 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 51 51.211 -0.434 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 51 51.591 -1.749 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 51 52.896 -0.966 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 51 51.384 -0.808 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 51 53.070 -1.350 -2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 51 51.880 -2.396 -3.235 1.00 0.00 H new ATOM 870 N VAL A 52 54.626 -2.873 0.299 1.00 0.00 N ATOM 871 CA VAL A 52 56.062 -2.499 0.371 1.00 0.00 C ATOM 872 C VAL A 52 56.916 -3.774 0.198 1.00 0.00 C ATOM 873 O VAL A 52 58.048 -3.716 -0.245 1.00 0.00 O ATOM 874 CB VAL A 52 56.315 -1.781 1.732 1.00 0.00 C ATOM 875 CG1 VAL A 52 56.998 -2.689 2.769 1.00 0.00 C ATOM 876 CG2 VAL A 52 57.178 -0.537 1.496 1.00 0.00 C ATOM 0 H VAL A 52 54.144 -2.904 1.197 1.00 0.00 H new ATOM 0 HA VAL A 52 56.343 -1.809 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 52 55.342 -1.506 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 52 57.148 -2.135 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 52 56.368 -3.557 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 52 57.963 -3.020 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 52 57.357 -0.033 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 52 58.131 -0.833 1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 52 56.661 0.141 0.817 1.00 0.00 H new ATOM 886 N ARG A 53 56.374 -4.922 0.549 1.00 0.00 N ATOM 887 CA ARG A 53 57.147 -6.192 0.412 1.00 0.00 C ATOM 888 C ARG A 53 57.025 -6.720 -1.016 1.00 0.00 C ATOM 889 O ARG A 53 57.994 -7.160 -1.604 1.00 0.00 O ATOM 890 CB ARG A 53 56.599 -7.236 1.387 1.00 0.00 C ATOM 891 CG ARG A 53 57.709 -8.225 1.748 1.00 0.00 C ATOM 892 CD ARG A 53 57.102 -9.602 2.027 1.00 0.00 C ATOM 893 NE ARG A 53 56.102 -9.496 3.127 1.00 0.00 N ATOM 894 CZ ARG A 53 54.985 -10.169 3.062 1.00 0.00 C ATOM 895 NH1 ARG A 53 54.987 -11.459 3.261 1.00 0.00 N ATOM 896 NH2 ARG A 53 53.866 -9.553 2.795 1.00 0.00 N ATOM 0 H ARG A 53 55.431 -5.028 0.923 1.00 0.00 H new ATOM 0 HA ARG A 53 58.195 -5.997 0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 53 56.224 -6.748 2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 53 55.758 -7.764 0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 53 58.429 -8.293 0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 53 58.253 -7.872 2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 53 56.626 -9.990 1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 53 57.886 -10.307 2.302 1.00 0.00 H new ATOM 0 HE ARG A 53 56.290 -8.897 3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 53 55.861 -11.942 3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 53 54.114 -11.984 3.210 1.00 0.00 H new ATOM 0 HH21 ARG A 53 53.864 -8.545 2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 53 52.994 -10.079 2.744 1.00 0.00 H new ATOM 910 N VAL A 54 55.841 -6.683 -1.580 1.00 0.00 N ATOM 911 CA VAL A 54 55.657 -7.184 -2.976 1.00 0.00 C ATOM 912 C VAL A 54 56.513 -6.353 -3.928 1.00 0.00 C ATOM 913 O VAL A 54 57.192 -6.893 -4.784 1.00 0.00 O ATOM 914 CB VAL A 54 54.181 -7.077 -3.371 1.00 0.00 C ATOM 915 CG1 VAL A 54 53.973 -7.672 -4.766 1.00 0.00 C ATOM 916 CG2 VAL A 54 53.326 -7.847 -2.359 1.00 0.00 C ATOM 0 H VAL A 54 54.996 -6.328 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 54 55.965 -8.228 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 54 53.886 -6.028 -3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 54 52.921 -7.593 -5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 54 54.580 -7.126 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 54 54.270 -8.721 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 54 52.275 -7.772 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 54 53.626 -8.895 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 54 53.468 -7.423 -1.365 1.00 0.00 H new ATOM 926 N TRP A 55 56.505 -5.051 -3.781 1.00 0.00 N ATOM 927 CA TRP A 55 57.343 -4.211 -4.679 1.00 0.00 C ATOM 928 C TRP A 55 58.816 -4.503 -4.377 1.00 0.00 C ATOM 929 O TRP A 55 59.611 -4.647 -5.287 1.00 0.00 O ATOM 930 CB TRP A 55 57.034 -2.714 -4.473 1.00 0.00 C ATOM 931 CG TRP A 55 58.081 -1.880 -5.162 1.00 0.00 C ATOM 932 CD1 TRP A 55 58.148 -1.632 -6.493 1.00 0.00 C ATOM 933 CD2 TRP A 55 59.239 -1.224 -4.571 1.00 0.00 C ATOM 934 NE1 TRP A 55 59.262 -0.852 -6.743 1.00 0.00 N ATOM 935 CE2 TRP A 55 59.959 -0.575 -5.596 1.00 0.00 C ATOM 936 CE3 TRP A 55 59.724 -1.121 -3.258 1.00 0.00 C ATOM 937 CZ2 TRP A 55 61.116 0.145 -5.335 1.00 0.00 C ATOM 938 CZ3 TRP A 55 60.896 -0.397 -2.993 1.00 0.00 C ATOM 939 CH2 TRP A 55 61.590 0.233 -4.029 1.00 0.00 C ATOM 0 H TRP A 55 55.960 -4.542 -3.085 1.00 0.00 H new ATOM 0 HA TRP A 55 57.122 -4.451 -5.719 1.00 0.00 H new ATOM 0 HB2 TRP A 55 56.047 -2.478 -4.872 1.00 0.00 H new ATOM 0 HB3 TRP A 55 57.012 -2.481 -3.409 1.00 0.00 H new ATOM 0 HD1 TRP A 55 57.447 -1.985 -7.235 1.00 0.00 H new ATOM 0 HE1 TRP A 55 59.532 -0.522 -7.670 1.00 0.00 H new ATOM 0 HE3 TRP A 55 59.193 -1.601 -2.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 61.645 0.634 -6.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 61.265 -0.326 -1.980 1.00 0.00 H new ATOM 0 HH2 TRP A 55 62.492 0.787 -3.817 1.00 0.00 H new ATOM 950 N PHE A 56 59.194 -4.580 -3.118 1.00 0.00 N ATOM 951 CA PHE A 56 60.626 -4.850 -2.818 1.00 0.00 C ATOM 952 C PHE A 56 60.949 -6.333 -2.966 1.00 0.00 C ATOM 953 O PHE A 56 62.084 -6.731 -2.792 1.00 0.00 O ATOM 954 CB PHE A 56 61.025 -4.351 -1.419 1.00 0.00 C ATOM 955 CG PHE A 56 62.423 -3.760 -1.498 1.00 0.00 C ATOM 956 CD1 PHE A 56 62.710 -2.795 -2.469 1.00 0.00 C ATOM 957 CD2 PHE A 56 63.433 -4.185 -0.628 1.00 0.00 C ATOM 958 CE1 PHE A 56 63.985 -2.253 -2.577 1.00 0.00 C ATOM 959 CE2 PHE A 56 64.722 -3.642 -0.739 1.00 0.00 C ATOM 960 CZ PHE A 56 64.990 -2.673 -1.717 1.00 0.00 C ATOM 0 H PHE A 56 58.583 -4.469 -2.308 1.00 0.00 H new ATOM 0 HA PHE A 56 61.213 -4.293 -3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 56 60.316 -3.601 -1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 56 61.001 -5.172 -0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 56 61.932 -2.467 -3.142 1.00 0.00 H new ATOM 0 HD2 PHE A 56 63.221 -4.928 0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 56 64.193 -1.506 -3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 56 65.506 -3.970 -0.073 1.00 0.00 H new ATOM 0 HZ PHE A 56 65.981 -2.253 -1.801 1.00 0.00 H new ATOM 970 N CYS A 57 59.992 -7.147 -3.341 1.00 0.00 N ATOM 971 CA CYS A 57 60.300 -8.584 -3.567 1.00 0.00 C ATOM 972 C CYS A 57 60.939 -8.669 -4.949 1.00 0.00 C ATOM 973 O CYS A 57 61.865 -9.425 -5.178 1.00 0.00 O ATOM 974 CB CYS A 57 59.017 -9.417 -3.525 1.00 0.00 C ATOM 975 SG CYS A 57 58.843 -10.185 -1.895 1.00 0.00 S ATOM 0 H CYS A 57 59.021 -6.877 -3.498 1.00 0.00 H new ATOM 0 HA CYS A 57 60.965 -8.973 -2.796 1.00 0.00 H new ATOM 0 HB2 CYS A 57 58.154 -8.785 -3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 57 59.044 -10.184 -4.298 1.00 0.00 H new ATOM 0 HG CYS A 57 58.421 -9.300 -1.041 1.00 0.00 H new ATOM 981 N ASN A 58 60.464 -7.858 -5.862 1.00 0.00 N ATOM 982 CA ASN A 58 61.056 -7.833 -7.224 1.00 0.00 C ATOM 983 C ASN A 58 62.237 -6.846 -7.225 1.00 0.00 C ATOM 984 O ASN A 58 63.157 -6.981 -8.006 1.00 0.00 O ATOM 985 CB ASN A 58 60.002 -7.398 -8.250 1.00 0.00 C ATOM 986 CG ASN A 58 59.434 -6.026 -7.875 1.00 0.00 C ATOM 987 OD1 ASN A 58 60.171 -5.076 -7.704 1.00 0.00 O ATOM 988 ND2 ASN A 58 58.144 -5.883 -7.746 1.00 0.00 N ATOM 0 H ASN A 58 59.688 -7.212 -5.716 1.00 0.00 H new ATOM 0 HA ASN A 58 61.405 -8.829 -7.495 1.00 0.00 H new ATOM 0 HB2 ASN A 58 60.447 -7.356 -9.244 1.00 0.00 H new ATOM 0 HB3 ASN A 58 59.199 -8.133 -8.291 1.00 0.00 H new ATOM 0 HD21 ASN A 58 57.754 -4.973 -7.501 1.00 0.00 H new ATOM 0 HD22 ASN A 58 57.525 -6.681 -7.890 1.00 0.00 H new ATOM 995 N ARG A 59 62.225 -5.861 -6.342 1.00 0.00 N ATOM 996 CA ARG A 59 63.360 -4.881 -6.287 1.00 0.00 C ATOM 997 C ARG A 59 64.548 -5.516 -5.554 1.00 0.00 C ATOM 998 O ARG A 59 65.679 -5.104 -5.733 1.00 0.00 O ATOM 999 CB ARG A 59 62.936 -3.586 -5.542 1.00 0.00 C ATOM 1000 CG ARG A 59 63.122 -2.360 -6.441 1.00 0.00 C ATOM 1001 CD ARG A 59 64.577 -2.257 -6.917 1.00 0.00 C ATOM 1002 NE ARG A 59 64.668 -2.674 -8.344 1.00 0.00 N ATOM 1003 CZ ARG A 59 64.553 -1.786 -9.294 1.00 0.00 C ATOM 1004 NH1 ARG A 59 65.610 -1.160 -9.733 1.00 0.00 N ATOM 1005 NH2 ARG A 59 63.382 -1.525 -9.807 1.00 0.00 N ATOM 0 H ARG A 59 61.481 -5.699 -5.664 1.00 0.00 H new ATOM 0 HA ARG A 59 63.642 -4.622 -7.308 1.00 0.00 H new ATOM 0 HB2 ARG A 59 61.893 -3.662 -5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 59 63.529 -3.471 -4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 59 62.456 -2.428 -7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 59 62.847 -1.457 -5.896 1.00 0.00 H new ATOM 0 HD2 ARG A 59 64.936 -1.234 -6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 59 65.217 -2.889 -6.302 1.00 0.00 H new ATOM 0 HE ARG A 59 64.820 -3.655 -8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 59 66.526 -1.364 -9.334 1.00 0.00 H new ATOM 0 HH12 ARG A 59 65.520 -0.466 -10.475 1.00 0.00 H new ATOM 0 HH21 ARG A 59 62.555 -2.015 -9.466 1.00 0.00 H new ATOM 0 HH22 ARG A 59 63.294 -0.831 -10.549 1.00 0.00 H new ATOM 1019 N ARG A 60 64.306 -6.508 -4.725 1.00 0.00 N ATOM 1020 CA ARG A 60 65.433 -7.148 -3.981 1.00 0.00 C ATOM 1021 C ARG A 60 66.089 -8.227 -4.848 1.00 0.00 C ATOM 1022 O ARG A 60 67.267 -8.506 -4.714 1.00 0.00 O ATOM 1023 CB ARG A 60 64.912 -7.771 -2.678 1.00 0.00 C ATOM 1024 CG ARG A 60 63.901 -8.884 -2.978 1.00 0.00 C ATOM 1025 CD ARG A 60 63.303 -9.384 -1.665 1.00 0.00 C ATOM 1026 NE ARG A 60 64.358 -10.088 -0.887 1.00 0.00 N ATOM 1027 CZ ARG A 60 64.038 -11.080 -0.106 1.00 0.00 C ATOM 1028 NH1 ARG A 60 63.142 -10.909 0.827 1.00 0.00 N ATOM 1029 NH2 ARG A 60 64.612 -12.241 -0.260 1.00 0.00 N ATOM 0 H ARG A 60 63.382 -6.897 -4.535 1.00 0.00 H new ATOM 0 HA ARG A 60 66.175 -6.387 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 60 65.745 -8.175 -2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 60 64.443 -7.003 -2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 60 63.113 -8.510 -3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 60 64.390 -9.704 -3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 60 62.906 -8.547 -1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 60 62.470 -10.058 -1.864 1.00 0.00 H new ATOM 0 HE ARG A 60 65.332 -9.794 -0.965 1.00 0.00 H new ATOM 0 HH11 ARG A 60 62.694 -10.000 0.943 1.00 0.00 H new ATOM 0 HH12 ARG A 60 62.890 -11.684 1.440 1.00 0.00 H new ATOM 0 HH21 ARG A 60 65.311 -12.371 -0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 60 64.362 -13.019 0.351 1.00 0.00 H new ATOM 1043 N GLN A 61 65.335 -8.842 -5.723 1.00 0.00 N ATOM 1044 CA GLN A 61 65.912 -9.913 -6.587 1.00 0.00 C ATOM 1045 C GLN A 61 65.958 -9.449 -8.048 1.00 0.00 C ATOM 1046 O GLN A 61 65.463 -10.119 -8.938 1.00 0.00 O ATOM 1047 CB GLN A 61 65.050 -11.175 -6.468 1.00 0.00 C ATOM 1048 CG GLN A 61 65.034 -11.661 -5.010 1.00 0.00 C ATOM 1049 CD GLN A 61 65.368 -13.154 -4.956 1.00 0.00 C ATOM 1050 OE1 GLN A 61 66.524 -13.529 -4.932 1.00 0.00 O ATOM 1051 NE2 GLN A 61 64.399 -14.027 -4.934 1.00 0.00 N ATOM 0 H GLN A 61 64.345 -8.648 -5.876 1.00 0.00 H new ATOM 0 HA GLN A 61 66.929 -10.131 -6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 61 64.034 -10.965 -6.802 1.00 0.00 H new ATOM 0 HB3 GLN A 61 65.443 -11.957 -7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 61 65.757 -11.096 -4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 61 64.054 -11.482 -4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 61 63.429 -13.713 -4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 61 64.611 -15.024 -4.897 1.00 0.00 H new