USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 ASN :FLIP amide:sc= -0.507 F(o=-1.6,f=-0.51) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 136:sc= 1.22 (180deg=0.31) USER MOD Single : A 30 CYS SG : rot -8:sc= -0.57 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= -0.329 X(o=-0.33,f=-0.018) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.014) USER MOD Single : A 43 ASN : amide:sc= -0.411 K(o=-0.41,f=-4!) USER MOD Single : A 44 GLN : amide:sc= -0.249 K(o=-0.25,f=-3.1!) 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 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.0482 K(o=-0.048,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 252 N ILE A 15 67.325 5.044 3.378 1.00 0.00 N ATOM 253 CA ILE A 15 66.095 4.273 3.727 1.00 0.00 C ATOM 254 C ILE A 15 66.302 3.531 5.046 1.00 0.00 C ATOM 255 O ILE A 15 66.475 2.326 5.073 1.00 0.00 O ATOM 256 CB ILE A 15 65.764 3.274 2.598 1.00 0.00 C ATOM 257 CG1 ILE A 15 65.291 4.045 1.357 1.00 0.00 C ATOM 258 CG2 ILE A 15 64.654 2.296 3.038 1.00 0.00 C ATOM 259 CD1 ILE A 15 64.000 4.816 1.673 1.00 0.00 C ATOM 0 HA ILE A 15 65.260 4.964 3.841 1.00 0.00 H new ATOM 0 HB ILE A 15 66.664 2.703 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 15 66.067 4.738 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 15 65.118 3.352 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 15 64.438 1.602 2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.987 1.738 3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 15 63.753 2.856 3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.674 5.359 0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 15 63.222 4.115 1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 15 64.187 5.522 2.482 1.00 0.00 H new ATOM 271 N GLU A 16 66.232 4.237 6.140 1.00 0.00 N ATOM 272 CA GLU A 16 66.362 3.580 7.461 1.00 0.00 C ATOM 273 C GLU A 16 65.165 2.644 7.617 1.00 0.00 C ATOM 274 O GLU A 16 64.131 2.851 7.009 1.00 0.00 O ATOM 275 CB GLU A 16 66.354 4.634 8.572 1.00 0.00 C ATOM 276 CG GLU A 16 67.794 5.006 8.934 1.00 0.00 C ATOM 277 CD GLU A 16 68.313 6.063 7.956 1.00 0.00 C ATOM 278 OE1 GLU A 16 68.819 5.680 6.914 1.00 0.00 O ATOM 279 OE2 GLU A 16 68.200 7.237 8.268 1.00 0.00 O ATOM 0 H GLU A 16 66.089 5.247 6.171 1.00 0.00 H new ATOM 0 HA GLU A 16 67.298 3.026 7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 16 65.810 5.520 8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 16 65.835 4.249 9.450 1.00 0.00 H new ATOM 0 HG2 GLU A 16 67.836 5.388 9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 16 68.429 4.121 8.899 1.00 0.00 H new ATOM 286 N ASN A 17 65.298 1.612 8.395 1.00 0.00 N ATOM 287 CA ASN A 17 64.165 0.652 8.565 1.00 0.00 C ATOM 288 C ASN A 17 62.956 1.375 9.154 1.00 0.00 C ATOM 289 O ASN A 17 61.823 0.995 8.920 1.00 0.00 O ATOM 290 CB ASN A 17 64.587 -0.485 9.496 1.00 0.00 C ATOM 291 CG ASN A 17 65.140 0.099 10.798 1.00 0.00 C ATOM 292 OD1 ASN A 17 64.313 0.561 11.694 1.00 0.00 O flip ATOM 293 ND2 ASN A 17 66.337 0.135 11.001 1.00 0.00 N flip ATOM 0 H ASN A 17 66.141 1.387 8.923 1.00 0.00 H new ATOM 0 HA ASN A 17 63.897 0.241 7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 17 63.735 -1.131 9.708 1.00 0.00 H new ATOM 0 HB3 ASN A 17 65.343 -1.103 9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 17 66.984 -0.226 10.300 1.00 0.00 H new ATOM 0 HD22 ASN A 17 66.695 0.527 11.872 1.00 0.00 H new ATOM 300 N ARG A 18 63.188 2.415 9.908 1.00 0.00 N ATOM 301 CA ARG A 18 62.056 3.170 10.506 1.00 0.00 C ATOM 302 C ARG A 18 61.443 4.086 9.444 1.00 0.00 C ATOM 303 O ARG A 18 60.273 4.417 9.509 1.00 0.00 O ATOM 304 CB ARG A 18 62.568 4.000 11.691 1.00 0.00 C ATOM 305 CG ARG A 18 61.632 3.823 12.891 1.00 0.00 C ATOM 306 CD ARG A 18 62.104 4.711 14.046 1.00 0.00 C ATOM 307 NE ARG A 18 62.050 6.140 13.629 1.00 0.00 N ATOM 308 CZ ARG A 18 61.065 6.898 14.028 1.00 0.00 C ATOM 309 NH1 ARG A 18 59.944 6.912 13.360 1.00 0.00 N ATOM 310 NH2 ARG A 18 61.203 7.641 15.091 1.00 0.00 N ATOM 0 H ARG A 18 64.116 2.773 10.135 1.00 0.00 H new ATOM 0 HA ARG A 18 61.293 2.477 10.862 1.00 0.00 H new ATOM 0 HB2 ARG A 18 63.578 3.687 11.957 1.00 0.00 H new ATOM 0 HB3 ARG A 18 62.623 5.053 11.413 1.00 0.00 H new ATOM 0 HG2 ARG A 18 60.612 4.085 12.611 1.00 0.00 H new ATOM 0 HG3 ARG A 18 61.619 2.779 13.204 1.00 0.00 H new ATOM 0 HD2 ARG A 18 61.474 4.553 14.921 1.00 0.00 H new ATOM 0 HD3 ARG A 18 63.121 4.443 14.333 1.00 0.00 H new ATOM 0 HE ARG A 18 62.782 6.526 13.032 1.00 0.00 H new ATOM 0 HH11 ARG A 18 59.839 6.331 12.528 1.00 0.00 H new ATOM 0 HH12 ARG A 18 59.173 7.503 13.670 1.00 0.00 H new ATOM 0 HH21 ARG A 18 62.081 7.630 15.611 1.00 0.00 H new ATOM 0 HH22 ARG A 18 60.433 8.233 15.403 1.00 0.00 H new ATOM 324 N VAL A 19 62.218 4.496 8.464 1.00 0.00 N ATOM 325 CA VAL A 19 61.659 5.387 7.405 1.00 0.00 C ATOM 326 C VAL A 19 60.659 4.604 6.562 1.00 0.00 C ATOM 327 O VAL A 19 59.591 5.086 6.260 1.00 0.00 O ATOM 328 CB VAL A 19 62.793 5.993 6.530 1.00 0.00 C ATOM 329 CG1 VAL A 19 63.001 5.242 5.199 1.00 0.00 C ATOM 330 CG2 VAL A 19 62.412 7.438 6.208 1.00 0.00 C ATOM 0 H VAL A 19 63.203 4.253 8.356 1.00 0.00 H new ATOM 0 HA VAL A 19 61.140 6.222 7.876 1.00 0.00 H new ATOM 0 HB VAL A 19 63.723 5.917 7.093 1.00 0.00 H new ATOM 0 HG11 VAL A 19 63.806 5.715 4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 19 63.263 4.204 5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 19 62.081 5.276 4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 19 63.190 7.891 5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 19 61.467 7.453 5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 19 62.307 8.002 7.135 1.00 0.00 H new ATOM 340 N ARG A 20 61.012 3.411 6.161 1.00 0.00 N ATOM 341 CA ARG A 20 60.075 2.607 5.323 1.00 0.00 C ATOM 342 C ARG A 20 58.804 2.337 6.106 1.00 0.00 C ATOM 343 O ARG A 20 57.709 2.573 5.616 1.00 0.00 O ATOM 344 CB ARG A 20 60.739 1.286 4.915 1.00 0.00 C ATOM 345 CG ARG A 20 61.261 1.388 3.472 1.00 0.00 C ATOM 346 CD ARG A 20 60.600 0.315 2.600 1.00 0.00 C ATOM 347 NE ARG A 20 61.366 -0.956 2.714 1.00 0.00 N ATOM 348 CZ ARG A 20 62.490 -1.100 2.068 1.00 0.00 C ATOM 349 NH1 ARG A 20 62.486 -1.547 0.842 1.00 0.00 N ATOM 350 NH2 ARG A 20 63.618 -0.794 2.647 1.00 0.00 N ATOM 0 H ARG A 20 61.902 2.961 6.376 1.00 0.00 H new ATOM 0 HA ARG A 20 59.827 3.164 4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 20 61.561 1.057 5.593 1.00 0.00 H new ATOM 0 HB3 ARG A 20 60.023 0.468 4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 20 61.049 2.378 3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 20 62.344 1.264 3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 20 59.568 0.160 2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 20 60.570 0.643 1.561 1.00 0.00 H new ATOM 0 HE ARG A 20 61.012 -1.714 3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 20 61.604 -1.784 0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 20 63.365 -1.659 0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 20 63.621 -0.442 3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 20 64.497 -0.906 2.142 1.00 0.00 H new ATOM 364 N TRP A 21 58.921 1.858 7.315 1.00 0.00 N ATOM 365 CA TRP A 21 57.685 1.598 8.088 1.00 0.00 C ATOM 366 C TRP A 21 57.064 2.935 8.513 1.00 0.00 C ATOM 367 O TRP A 21 55.917 2.983 8.908 1.00 0.00 O ATOM 368 CB TRP A 21 57.957 0.643 9.264 1.00 0.00 C ATOM 369 CG TRP A 21 57.368 -0.698 8.905 1.00 0.00 C ATOM 370 CD1 TRP A 21 56.741 -1.545 9.753 1.00 0.00 C ATOM 371 CD2 TRP A 21 57.313 -1.328 7.586 1.00 0.00 C ATOM 372 NE1 TRP A 21 56.298 -2.650 9.034 1.00 0.00 N ATOM 373 CE2 TRP A 21 56.628 -2.557 7.693 1.00 0.00 C ATOM 374 CE3 TRP A 21 57.786 -0.945 6.319 1.00 0.00 C ATOM 375 CZ2 TRP A 21 56.420 -3.374 6.573 1.00 0.00 C ATOM 376 CZ3 TRP A 21 57.580 -1.754 5.200 1.00 0.00 C ATOM 377 CH2 TRP A 21 56.893 -2.967 5.324 1.00 0.00 C ATOM 0 H TRP A 21 59.799 1.641 7.787 1.00 0.00 H new ATOM 0 HA TRP A 21 56.955 1.084 7.463 1.00 0.00 H new ATOM 0 HB2 TRP A 21 59.028 0.555 9.446 1.00 0.00 H new ATOM 0 HB3 TRP A 21 57.508 1.026 10.180 1.00 0.00 H new ATOM 0 HD1 TRP A 21 56.607 -1.389 10.813 1.00 0.00 H new ATOM 0 HE1 TRP A 21 55.791 -3.434 9.445 1.00 0.00 H new ATOM 0 HE3 TRP A 21 58.317 -0.011 6.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 55.897 -4.313 6.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 57.952 -1.443 4.235 1.00 0.00 H new ATOM 0 HH2 TRP A 21 56.729 -3.587 4.455 1.00 0.00 H new ATOM 388 N SER A 22 57.776 4.037 8.338 1.00 0.00 N ATOM 389 CA SER A 22 57.168 5.361 8.624 1.00 0.00 C ATOM 390 C SER A 22 56.191 5.608 7.474 1.00 0.00 C ATOM 391 O SER A 22 55.080 6.065 7.667 1.00 0.00 O ATOM 392 CB SER A 22 58.235 6.458 8.655 1.00 0.00 C ATOM 393 OG SER A 22 57.616 7.701 8.962 1.00 0.00 O ATOM 0 H SER A 22 58.742 4.062 8.012 1.00 0.00 H new ATOM 0 HA SER A 22 56.676 5.375 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 22 58.995 6.222 9.400 1.00 0.00 H new ATOM 0 HB3 SER A 22 58.741 6.518 7.691 1.00 0.00 H new ATOM 0 HG SER A 22 58.295 8.408 8.985 1.00 0.00 H new ATOM 399 N LEU A 23 56.588 5.231 6.265 1.00 0.00 N ATOM 400 CA LEU A 23 55.676 5.356 5.083 1.00 0.00 C ATOM 401 C LEU A 23 54.389 4.617 5.430 1.00 0.00 C ATOM 402 O LEU A 23 53.299 5.074 5.172 1.00 0.00 O ATOM 403 CB LEU A 23 56.279 4.651 3.851 1.00 0.00 C ATOM 404 CG LEU A 23 57.604 5.275 3.411 1.00 0.00 C ATOM 405 CD1 LEU A 23 58.460 4.184 2.758 1.00 0.00 C ATOM 406 CD2 LEU A 23 57.344 6.370 2.373 1.00 0.00 C ATOM 0 H LEU A 23 57.508 4.843 6.056 1.00 0.00 H new ATOM 0 HA LEU A 23 55.516 6.411 4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 23 56.436 3.597 4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 23 55.568 4.696 3.026 1.00 0.00 H new ATOM 0 HG LEU A 23 58.110 5.704 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.410 4.611 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.645 3.387 3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 23 57.934 3.778 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 23 58.292 6.811 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 23 56.844 5.938 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 23 56.710 7.142 2.810 1.00 0.00 H new ATOM 418 N GLU A 24 54.544 3.462 6.021 1.00 0.00 N ATOM 419 CA GLU A 24 53.363 2.635 6.415 1.00 0.00 C ATOM 420 C GLU A 24 52.428 3.423 7.336 1.00 0.00 C ATOM 421 O GLU A 24 51.245 3.534 7.082 1.00 0.00 O ATOM 422 CB GLU A 24 53.847 1.384 7.157 1.00 0.00 C ATOM 423 CG GLU A 24 52.737 0.325 7.166 1.00 0.00 C ATOM 424 CD GLU A 24 52.682 -0.355 8.537 1.00 0.00 C ATOM 425 OE1 GLU A 24 52.650 0.356 9.527 1.00 0.00 O ATOM 426 OE2 GLU A 24 52.672 -1.575 8.572 1.00 0.00 O ATOM 0 H GLU A 24 55.449 3.051 6.251 1.00 0.00 H new ATOM 0 HA GLU A 24 52.819 2.358 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 24 54.739 0.985 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 24 54.126 1.641 8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 24 51.777 0.789 6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 24 52.923 -0.417 6.389 1.00 0.00 H new ATOM 433 N THR A 25 52.948 3.949 8.413 1.00 0.00 N ATOM 434 CA THR A 25 52.097 4.710 9.376 1.00 0.00 C ATOM 435 C THR A 25 51.383 5.869 8.674 1.00 0.00 C ATOM 436 O THR A 25 50.344 6.320 9.123 1.00 0.00 O ATOM 437 CB THR A 25 52.977 5.262 10.499 1.00 0.00 C ATOM 438 OG1 THR A 25 53.872 4.248 10.935 1.00 0.00 O ATOM 439 CG2 THR A 25 52.097 5.706 11.668 1.00 0.00 C ATOM 0 H THR A 25 53.933 3.884 8.669 1.00 0.00 H new ATOM 0 HA THR A 25 51.344 4.036 9.785 1.00 0.00 H new ATOM 0 HB THR A 25 53.545 6.117 10.131 1.00 0.00 H new ATOM 0 HG1 THR A 25 54.439 4.599 11.653 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.725 6.099 12.467 1.00 0.00 H new ATOM 0 HG22 THR A 25 51.410 6.482 11.332 1.00 0.00 H new ATOM 0 HG23 THR A 25 51.528 4.854 12.039 1.00 0.00 H new ATOM 447 N MET A 26 51.930 6.365 7.592 1.00 0.00 N ATOM 448 CA MET A 26 51.273 7.510 6.886 1.00 0.00 C ATOM 449 C MET A 26 50.257 7.002 5.849 1.00 0.00 C ATOM 450 O MET A 26 49.325 7.701 5.498 1.00 0.00 O ATOM 451 CB MET A 26 52.348 8.355 6.184 1.00 0.00 C ATOM 452 CG MET A 26 52.473 9.716 6.875 1.00 0.00 C ATOM 453 SD MET A 26 53.804 10.666 6.099 1.00 0.00 S ATOM 454 CE MET A 26 52.849 12.168 5.775 1.00 0.00 C ATOM 0 H MET A 26 52.796 6.031 7.169 1.00 0.00 H new ATOM 0 HA MET A 26 50.742 8.117 7.619 1.00 0.00 H new ATOM 0 HB2 MET A 26 53.306 7.835 6.209 1.00 0.00 H new ATOM 0 HB3 MET A 26 52.087 8.493 5.135 1.00 0.00 H new ATOM 0 HG2 MET A 26 51.532 10.261 6.801 1.00 0.00 H new ATOM 0 HG3 MET A 26 52.680 9.579 7.936 1.00 0.00 H new ATOM 0 HE1 MET A 26 53.486 12.907 5.289 1.00 0.00 H new ATOM 0 HE2 MET A 26 52.007 11.931 5.124 1.00 0.00 H new ATOM 0 HE3 MET A 26 52.477 12.573 6.716 1.00 0.00 H new ATOM 464 N PHE A 27 50.435 5.805 5.348 1.00 0.00 N ATOM 465 CA PHE A 27 49.487 5.267 4.323 1.00 0.00 C ATOM 466 C PHE A 27 48.356 4.465 4.978 1.00 0.00 C ATOM 467 O PHE A 27 47.400 4.099 4.318 1.00 0.00 O ATOM 468 CB PHE A 27 50.236 4.356 3.348 1.00 0.00 C ATOM 469 CG PHE A 27 50.909 5.195 2.291 1.00 0.00 C ATOM 470 CD1 PHE A 27 50.137 5.872 1.339 1.00 0.00 C ATOM 471 CD2 PHE A 27 52.306 5.294 2.257 1.00 0.00 C ATOM 472 CE1 PHE A 27 50.761 6.648 0.357 1.00 0.00 C ATOM 473 CE2 PHE A 27 52.928 6.070 1.273 1.00 0.00 C ATOM 474 CZ PHE A 27 52.156 6.746 0.323 1.00 0.00 C ATOM 0 H PHE A 27 51.196 5.176 5.604 1.00 0.00 H new ATOM 0 HA PHE A 27 49.056 6.116 3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 27 50.978 3.764 3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 27 49.543 3.655 2.884 1.00 0.00 H new ATOM 0 HD1 PHE A 27 49.060 5.795 1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 27 52.903 4.771 2.990 1.00 0.00 H new ATOM 0 HE1 PHE A 27 50.165 7.172 -0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 27 54.005 6.147 1.247 1.00 0.00 H new ATOM 0 HZ PHE A 27 52.637 7.344 -0.437 1.00 0.00 H new ATOM 484 N LEU A 28 48.456 4.164 6.251 1.00 0.00 N ATOM 485 CA LEU A 28 47.385 3.358 6.911 1.00 0.00 C ATOM 486 C LEU A 28 46.302 4.261 7.517 1.00 0.00 C ATOM 487 O LEU A 28 45.616 3.873 8.444 1.00 0.00 O ATOM 488 CB LEU A 28 48.008 2.479 7.995 1.00 0.00 C ATOM 489 CG LEU A 28 48.891 1.416 7.330 1.00 0.00 C ATOM 490 CD1 LEU A 28 49.627 0.615 8.405 1.00 0.00 C ATOM 491 CD2 LEU A 28 48.025 0.469 6.479 1.00 0.00 C ATOM 0 H LEU A 28 49.229 4.440 6.857 1.00 0.00 H new ATOM 0 HA LEU A 28 46.909 2.730 6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 28 48.601 3.087 8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 28 47.227 2.003 8.588 1.00 0.00 H new ATOM 0 HG LEU A 28 49.618 1.909 6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 28 50.254 -0.140 7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 28 50.251 1.286 8.996 1.00 0.00 H new ATOM 0 HD13 LEU A 28 48.901 0.127 9.056 1.00 0.00 H new ATOM 0 HD21 LEU A 28 48.660 -0.283 6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 28 47.290 -0.023 7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 28 47.511 1.041 5.707 1.00 0.00 H new ATOM 503 N LYS A 29 46.121 5.445 6.986 1.00 0.00 N ATOM 504 CA LYS A 29 45.059 6.351 7.512 1.00 0.00 C ATOM 505 C LYS A 29 43.978 6.490 6.436 1.00 0.00 C ATOM 506 O LYS A 29 42.793 6.435 6.707 1.00 0.00 O ATOM 507 CB LYS A 29 45.656 7.729 7.849 1.00 0.00 C ATOM 508 CG LYS A 29 46.193 8.408 6.582 1.00 0.00 C ATOM 509 CD LYS A 29 47.081 9.591 6.970 1.00 0.00 C ATOM 510 CE LYS A 29 47.162 10.576 5.802 1.00 0.00 C ATOM 511 NZ LYS A 29 48.412 10.329 5.030 1.00 0.00 N ATOM 0 H LYS A 29 46.665 5.822 6.210 1.00 0.00 H new ATOM 0 HA LYS A 29 44.629 5.938 8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.895 8.358 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 29 46.460 7.615 8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 29 46.762 7.693 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 29 45.365 8.750 5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 29 46.677 10.089 7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 29 48.079 9.239 7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 29 46.293 10.461 5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 29 47.148 11.600 6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 48.201 10.351 4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 49.111 11.066 5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 48.798 9.397 5.283 1.00 0.00 H new ATOM 525 N CYS A 30 44.401 6.652 5.212 1.00 0.00 N ATOM 526 CA CYS A 30 43.453 6.780 4.081 1.00 0.00 C ATOM 527 C CYS A 30 44.048 6.023 2.875 1.00 0.00 C ATOM 528 O CYS A 30 45.203 6.225 2.558 1.00 0.00 O ATOM 529 CB CYS A 30 43.282 8.259 3.721 1.00 0.00 C ATOM 530 SG CYS A 30 42.696 9.170 5.171 1.00 0.00 S ATOM 0 H CYS A 30 45.385 6.701 4.948 1.00 0.00 H new ATOM 0 HA CYS A 30 42.481 6.367 4.350 1.00 0.00 H new ATOM 0 HB2 CYS A 30 44.230 8.672 3.377 1.00 0.00 H new ATOM 0 HB3 CYS A 30 42.572 8.365 2.901 1.00 0.00 H new ATOM 0 HG CYS A 30 42.387 8.331 6.115 1.00 0.00 H new ATOM 536 N PRO A 31 43.268 5.176 2.222 1.00 0.00 N ATOM 537 CA PRO A 31 43.748 4.412 1.056 1.00 0.00 C ATOM 538 C PRO A 31 43.559 5.231 -0.223 1.00 0.00 C ATOM 539 O PRO A 31 43.425 4.675 -1.298 1.00 0.00 O ATOM 540 CB PRO A 31 42.812 3.207 1.010 1.00 0.00 C ATOM 541 CG PRO A 31 41.513 3.645 1.727 1.00 0.00 C ATOM 542 CD PRO A 31 41.866 4.881 2.575 1.00 0.00 C ATOM 0 HA PRO A 31 44.803 4.150 1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 31 42.608 2.911 -0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 31 43.260 2.346 1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 31 40.734 3.883 1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 31 41.129 2.842 2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 31 41.212 5.722 2.344 1.00 0.00 H new ATOM 0 HD3 PRO A 31 41.758 4.677 3.640 1.00 0.00 H new ATOM 550 N LYS A 32 43.512 6.538 -0.119 1.00 0.00 N ATOM 551 CA LYS A 32 43.292 7.369 -1.328 1.00 0.00 C ATOM 552 C LYS A 32 44.427 8.408 -1.508 1.00 0.00 C ATOM 553 O LYS A 32 44.146 9.580 -1.683 1.00 0.00 O ATOM 554 CB LYS A 32 41.952 8.099 -1.175 1.00 0.00 C ATOM 555 CG LYS A 32 41.944 8.870 0.150 1.00 0.00 C ATOM 556 CD LYS A 32 40.978 10.053 0.051 1.00 0.00 C ATOM 557 CE LYS A 32 40.680 10.582 1.455 1.00 0.00 C ATOM 558 NZ LYS A 32 39.461 11.439 1.417 1.00 0.00 N ATOM 0 H LYS A 32 43.617 7.057 0.753 1.00 0.00 H new ATOM 0 HA LYS A 32 43.284 6.724 -2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 32 41.801 8.784 -2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 32 41.130 7.383 -1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.644 8.210 0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 32 42.948 9.226 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 32 41.413 10.842 -0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 32 40.054 9.743 -0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 32 40.531 9.751 2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 32 41.529 11.156 1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 39.259 11.798 2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 39.619 12.240 0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 38.653 10.878 1.080 1.00 0.00 H new ATOM 572 N PRO A 33 45.681 7.981 -1.483 1.00 0.00 N ATOM 573 CA PRO A 33 46.806 8.915 -1.667 1.00 0.00 C ATOM 574 C PRO A 33 46.907 9.327 -3.136 1.00 0.00 C ATOM 575 O PRO A 33 46.427 8.636 -4.015 1.00 0.00 O ATOM 576 CB PRO A 33 48.033 8.112 -1.234 1.00 0.00 C ATOM 577 CG PRO A 33 47.643 6.625 -1.365 1.00 0.00 C ATOM 578 CD PRO A 33 46.104 6.571 -1.284 1.00 0.00 C ATOM 0 HA PRO A 33 46.697 9.836 -1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 33 48.893 8.346 -1.862 1.00 0.00 H new ATOM 0 HB3 PRO A 33 48.313 8.352 -0.208 1.00 0.00 H new ATOM 0 HG2 PRO A 33 47.997 6.212 -2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 33 48.095 6.033 -0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 33 45.687 5.918 -2.051 1.00 0.00 H new ATOM 0 HD3 PRO A 33 45.769 6.186 -0.321 1.00 0.00 H new ATOM 586 N SER A 34 47.524 10.448 -3.404 1.00 0.00 N ATOM 587 CA SER A 34 47.657 10.914 -4.809 1.00 0.00 C ATOM 588 C SER A 34 48.949 10.377 -5.399 1.00 0.00 C ATOM 589 O SER A 34 49.958 10.315 -4.725 1.00 0.00 O ATOM 590 CB SER A 34 47.682 12.444 -4.836 1.00 0.00 C ATOM 591 OG SER A 34 46.362 12.930 -5.037 1.00 0.00 O ATOM 0 H SER A 34 47.942 11.061 -2.704 1.00 0.00 H new ATOM 0 HA SER A 34 46.812 10.553 -5.395 1.00 0.00 H new ATOM 0 HB2 SER A 34 48.085 12.829 -3.900 1.00 0.00 H new ATOM 0 HB3 SER A 34 48.337 12.795 -5.634 1.00 0.00 H new ATOM 0 HG SER A 34 46.373 13.910 -5.053 1.00 0.00 H new ATOM 597 N LEU A 35 48.946 10.024 -6.666 1.00 0.00 N ATOM 598 CA LEU A 35 50.203 9.543 -7.300 1.00 0.00 C ATOM 599 C LEU A 35 51.207 10.718 -7.249 1.00 0.00 C ATOM 600 O LEU A 35 52.408 10.525 -7.241 1.00 0.00 O ATOM 601 CB LEU A 35 49.885 9.050 -8.744 1.00 0.00 C ATOM 602 CG LEU A 35 50.747 9.738 -9.814 1.00 0.00 C ATOM 603 CD1 LEU A 35 52.177 9.201 -9.747 1.00 0.00 C ATOM 604 CD2 LEU A 35 50.163 9.456 -11.200 1.00 0.00 C ATOM 0 H LEU A 35 48.131 10.050 -7.278 1.00 0.00 H new ATOM 0 HA LEU A 35 50.646 8.693 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 35 50.040 7.972 -8.797 1.00 0.00 H new ATOM 0 HB3 LEU A 35 48.832 9.231 -8.961 1.00 0.00 H new ATOM 0 HG LEU A 35 50.755 10.813 -9.633 1.00 0.00 H new ATOM 0 HD11 LEU A 35 52.786 9.691 -10.507 1.00 0.00 H new ATOM 0 HD12 LEU A 35 52.596 9.403 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 35 52.171 8.126 -9.925 1.00 0.00 H new ATOM 0 HD21 LEU A 35 50.775 9.944 -11.959 1.00 0.00 H new ATOM 0 HD22 LEU A 35 50.153 8.381 -11.379 1.00 0.00 H new ATOM 0 HD23 LEU A 35 49.145 9.842 -11.251 1.00 0.00 H new ATOM 616 N GLN A 36 50.700 11.935 -7.174 1.00 0.00 N ATOM 617 CA GLN A 36 51.595 13.117 -7.074 1.00 0.00 C ATOM 618 C GLN A 36 52.259 13.044 -5.705 1.00 0.00 C ATOM 619 O GLN A 36 53.441 13.286 -5.554 1.00 0.00 O ATOM 620 CB GLN A 36 50.768 14.404 -7.189 1.00 0.00 C ATOM 621 CG GLN A 36 51.513 15.421 -8.056 1.00 0.00 C ATOM 622 CD GLN A 36 50.535 16.496 -8.535 1.00 0.00 C ATOM 623 OE1 GLN A 36 50.060 16.447 -9.652 1.00 0.00 O ATOM 624 NE2 GLN A 36 50.211 17.472 -7.731 1.00 0.00 N ATOM 0 H GLN A 36 49.703 12.148 -7.179 1.00 0.00 H new ATOM 0 HA GLN A 36 52.338 13.122 -7.871 1.00 0.00 H new ATOM 0 HB2 GLN A 36 49.794 14.184 -7.626 1.00 0.00 H new ATOM 0 HB3 GLN A 36 50.586 14.820 -6.198 1.00 0.00 H new ATOM 0 HG2 GLN A 36 52.322 15.878 -7.486 1.00 0.00 H new ATOM 0 HG3 GLN A 36 51.969 14.922 -8.911 1.00 0.00 H new ATOM 0 HE21 GLN A 36 50.609 17.514 -6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 36 49.559 18.193 -8.041 1.00 0.00 H new ATOM 633 N GLN A 37 51.494 12.667 -4.712 1.00 0.00 N ATOM 634 CA GLN A 37 52.052 12.520 -3.345 1.00 0.00 C ATOM 635 C GLN A 37 53.042 11.351 -3.351 1.00 0.00 C ATOM 636 O GLN A 37 53.954 11.311 -2.554 1.00 0.00 O ATOM 637 CB GLN A 37 50.923 12.236 -2.349 1.00 0.00 C ATOM 638 CG GLN A 37 51.477 12.256 -0.917 1.00 0.00 C ATOM 639 CD GLN A 37 50.542 13.058 -0.006 1.00 0.00 C ATOM 640 OE1 GLN A 37 50.993 13.784 0.859 1.00 0.00 O ATOM 641 NE2 GLN A 37 49.250 12.958 -0.163 1.00 0.00 N ATOM 0 H GLN A 37 50.500 12.454 -4.796 1.00 0.00 H new ATOM 0 HA GLN A 37 52.557 13.439 -3.047 1.00 0.00 H new ATOM 0 HB2 GLN A 37 50.136 12.982 -2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 37 50.473 11.266 -2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 37 51.578 11.237 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 37 52.473 12.698 -0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 37 48.870 12.350 -0.888 1.00 0.00 H new ATOM 0 HE22 GLN A 37 48.620 13.488 0.439 1.00 0.00 H new ATOM 650 N ILE A 38 52.881 10.409 -4.263 1.00 0.00 N ATOM 651 CA ILE A 38 53.832 9.263 -4.332 1.00 0.00 C ATOM 652 C ILE A 38 55.164 9.793 -4.869 1.00 0.00 C ATOM 653 O ILE A 38 56.223 9.337 -4.487 1.00 0.00 O ATOM 654 CB ILE A 38 53.254 8.145 -5.236 1.00 0.00 C ATOM 655 CG1 ILE A 38 52.138 7.410 -4.471 1.00 0.00 C ATOM 656 CG2 ILE A 38 54.343 7.122 -5.622 1.00 0.00 C ATOM 657 CD1 ILE A 38 52.692 6.819 -3.160 1.00 0.00 C ATOM 0 H ILE A 38 52.132 10.393 -4.956 1.00 0.00 H new ATOM 0 HA ILE A 38 53.988 8.826 -3.346 1.00 0.00 H new ATOM 0 HB ILE A 38 52.866 8.604 -6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 38 51.323 8.099 -4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 38 51.725 6.614 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 38 53.908 6.350 -6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 38 55.142 7.628 -6.163 1.00 0.00 H new ATOM 0 HG23 ILE A 38 54.749 6.665 -4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 38 51.893 6.302 -2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 38 53.492 6.114 -3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 38 53.083 7.622 -2.535 1.00 0.00 H new ATOM 669 N THR A 39 55.108 10.778 -5.728 1.00 0.00 N ATOM 670 CA THR A 39 56.362 11.379 -6.268 1.00 0.00 C ATOM 671 C THR A 39 57.089 12.054 -5.104 1.00 0.00 C ATOM 672 O THR A 39 58.263 11.823 -4.857 1.00 0.00 O ATOM 673 CB THR A 39 56.012 12.421 -7.334 1.00 0.00 C ATOM 674 OG1 THR A 39 55.070 11.868 -8.243 1.00 0.00 O ATOM 675 CG2 THR A 39 57.277 12.826 -8.091 1.00 0.00 C ATOM 0 H THR A 39 54.245 11.192 -6.079 1.00 0.00 H new ATOM 0 HA THR A 39 56.993 10.615 -6.722 1.00 0.00 H new ATOM 0 HB THR A 39 55.582 13.301 -6.855 1.00 0.00 H new ATOM 0 HG1 THR A 39 54.844 12.534 -8.925 1.00 0.00 H new ATOM 0 HG21 THR A 39 57.026 13.568 -8.849 1.00 0.00 H new ATOM 0 HG22 THR A 39 57.998 13.251 -7.393 1.00 0.00 H new ATOM 0 HG23 THR A 39 57.710 11.949 -8.571 1.00 0.00 H new ATOM 683 N HIS A 40 56.372 12.858 -4.364 1.00 0.00 N ATOM 684 CA HIS A 40 56.971 13.530 -3.177 1.00 0.00 C ATOM 685 C HIS A 40 57.326 12.467 -2.134 1.00 0.00 C ATOM 686 O HIS A 40 58.148 12.699 -1.273 1.00 0.00 O ATOM 687 CB HIS A 40 55.965 14.532 -2.592 1.00 0.00 C ATOM 688 CG HIS A 40 56.536 15.924 -2.650 1.00 0.00 C ATOM 689 ND1 HIS A 40 56.495 16.786 -1.566 1.00 0.00 N ATOM 690 CD2 HIS A 40 57.164 16.616 -3.656 1.00 0.00 C ATOM 691 CE1 HIS A 40 57.082 17.937 -1.941 1.00 0.00 C ATOM 692 NE2 HIS A 40 57.508 17.886 -3.207 1.00 0.00 N ATOM 0 H HIS A 40 55.391 13.078 -4.533 1.00 0.00 H new ATOM 0 HA HIS A 40 57.873 14.069 -3.467 1.00 0.00 H new ATOM 0 HB2 HIS A 40 55.030 14.490 -3.150 1.00 0.00 H new ATOM 0 HB3 HIS A 40 55.733 14.267 -1.560 1.00 0.00 H new ATOM 0 HD2 HIS A 40 57.361 16.232 -4.646 1.00 0.00 H new ATOM 0 HE1 HIS A 40 57.195 18.797 -1.298 1.00 0.00 H new ATOM 0 HE2 HIS A 40 57.983 18.621 -3.731 1.00 0.00 H new ATOM 700 N ILE A 41 56.736 11.292 -2.227 1.00 0.00 N ATOM 701 CA ILE A 41 57.068 10.205 -1.269 1.00 0.00 C ATOM 702 C ILE A 41 58.504 9.785 -1.577 1.00 0.00 C ATOM 703 O ILE A 41 59.297 9.574 -0.698 1.00 0.00 O ATOM 704 CB ILE A 41 56.059 9.032 -1.465 1.00 0.00 C ATOM 705 CG1 ILE A 41 55.167 8.906 -0.216 1.00 0.00 C ATOM 706 CG2 ILE A 41 56.751 7.673 -1.714 1.00 0.00 C ATOM 707 CD1 ILE A 41 53.803 9.544 -0.482 1.00 0.00 C ATOM 0 H ILE A 41 56.039 11.048 -2.930 1.00 0.00 H new ATOM 0 HA ILE A 41 56.993 10.522 -0.229 1.00 0.00 H new ATOM 0 HB ILE A 41 55.470 9.271 -2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.041 7.856 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 41 55.646 9.392 0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 41 55.995 6.898 -1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 41 57.363 7.736 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.384 7.425 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 41 53.178 9.451 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 41 53.935 10.599 -0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 41 53.322 9.038 -1.319 1.00 0.00 H new ATOM 719 N ALA A 42 58.819 9.679 -2.842 1.00 0.00 N ATOM 720 CA ALA A 42 60.189 9.274 -3.265 1.00 0.00 C ATOM 721 C ALA A 42 61.199 10.269 -2.721 1.00 0.00 C ATOM 722 O ALA A 42 62.118 9.901 -2.015 1.00 0.00 O ATOM 723 CB ALA A 42 60.257 9.233 -4.790 1.00 0.00 C ATOM 0 H ALA A 42 58.173 9.859 -3.610 1.00 0.00 H new ATOM 0 HA ALA A 42 60.420 8.284 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 42 61.259 8.937 -5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 42 59.532 8.512 -5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 42 60.029 10.221 -5.191 1.00 0.00 H new ATOM 729 N ASN A 43 61.011 11.532 -2.998 1.00 0.00 N ATOM 730 CA ASN A 43 61.940 12.556 -2.434 1.00 0.00 C ATOM 731 C ASN A 43 61.855 12.486 -0.898 1.00 0.00 C ATOM 732 O ASN A 43 62.751 12.905 -0.190 1.00 0.00 O ATOM 733 CB ASN A 43 61.527 13.950 -2.911 1.00 0.00 C ATOM 734 CG ASN A 43 61.737 14.054 -4.422 1.00 0.00 C ATOM 735 OD1 ASN A 43 61.528 13.099 -5.143 1.00 0.00 O ATOM 736 ND2 ASN A 43 62.145 15.182 -4.935 1.00 0.00 N ATOM 0 H ASN A 43 60.261 11.897 -3.585 1.00 0.00 H new ATOM 0 HA ASN A 43 62.960 12.362 -2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 43 60.482 14.136 -2.665 1.00 0.00 H new ATOM 0 HB3 ASN A 43 62.115 14.711 -2.398 1.00 0.00 H new ATOM 0 HD21 ASN A 43 62.289 15.262 -5.942 1.00 0.00 H new ATOM 0 HD22 ASN A 43 62.320 15.984 -4.329 1.00 0.00 H new ATOM 743 N GLN A 44 60.769 11.945 -0.391 1.00 0.00 N ATOM 744 CA GLN A 44 60.580 11.819 1.078 1.00 0.00 C ATOM 745 C GLN A 44 61.550 10.771 1.651 1.00 0.00 C ATOM 746 O GLN A 44 62.064 10.938 2.741 1.00 0.00 O ATOM 747 CB GLN A 44 59.126 11.400 1.336 1.00 0.00 C ATOM 748 CG GLN A 44 58.411 12.424 2.222 1.00 0.00 C ATOM 749 CD GLN A 44 58.887 12.276 3.667 1.00 0.00 C ATOM 750 OE1 GLN A 44 60.068 12.355 3.942 1.00 0.00 O ATOM 751 NE2 GLN A 44 58.010 12.061 4.610 1.00 0.00 N ATOM 0 H GLN A 44 59.997 11.582 -0.950 1.00 0.00 H new ATOM 0 HA GLN A 44 60.788 12.770 1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 44 58.598 11.302 0.388 1.00 0.00 H new ATOM 0 HB3 GLN A 44 59.105 10.421 1.815 1.00 0.00 H new ATOM 0 HG2 GLN A 44 58.613 13.433 1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 44 57.332 12.277 2.167 1.00 0.00 H new ATOM 0 HE21 GLN A 44 57.019 11.995 4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 44 58.316 11.959 5.578 1.00 0.00 H new ATOM 760 N LEU A 45 61.807 9.698 0.933 1.00 0.00 N ATOM 761 CA LEU A 45 62.749 8.656 1.460 1.00 0.00 C ATOM 762 C LEU A 45 63.873 8.356 0.447 1.00 0.00 C ATOM 763 O LEU A 45 64.497 7.315 0.490 1.00 0.00 O ATOM 764 CB LEU A 45 61.967 7.379 1.847 1.00 0.00 C ATOM 765 CG LEU A 45 61.528 6.569 0.620 1.00 0.00 C ATOM 766 CD1 LEU A 45 61.114 5.154 1.059 1.00 0.00 C ATOM 767 CD2 LEU A 45 60.346 7.260 -0.042 1.00 0.00 C ATOM 0 H LEU A 45 61.409 9.501 0.015 1.00 0.00 H new ATOM 0 HA LEU A 45 63.229 9.042 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 45 62.590 6.755 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 45 61.088 7.656 2.429 1.00 0.00 H new ATOM 0 HG LEU A 45 62.355 6.501 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 45 60.802 4.579 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 45 61.960 4.659 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 45 60.286 5.220 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 45 60.031 6.687 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 45 59.520 7.326 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 45 60.638 8.263 -0.353 1.00 0.00 H new ATOM 779 N GLY A 46 64.156 9.288 -0.432 1.00 0.00 N ATOM 780 CA GLY A 46 65.265 9.122 -1.434 1.00 0.00 C ATOM 781 C GLY A 46 65.290 7.724 -2.081 1.00 0.00 C ATOM 782 O GLY A 46 66.345 7.234 -2.442 1.00 0.00 O ATOM 0 H GLY A 46 63.657 10.175 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 46 65.157 9.875 -2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 46 66.221 9.306 -0.943 1.00 0.00 H new ATOM 786 N LEU A 47 64.157 7.092 -2.248 1.00 0.00 N ATOM 787 CA LEU A 47 64.150 5.736 -2.898 1.00 0.00 C ATOM 788 C LEU A 47 63.671 5.861 -4.349 1.00 0.00 C ATOM 789 O LEU A 47 63.241 6.912 -4.786 1.00 0.00 O ATOM 790 CB LEU A 47 63.262 4.737 -2.097 1.00 0.00 C ATOM 791 CG LEU A 47 61.813 4.649 -2.627 1.00 0.00 C ATOM 792 CD1 LEU A 47 60.977 3.735 -1.719 1.00 0.00 C ATOM 793 CD2 LEU A 47 61.184 6.036 -2.670 1.00 0.00 C ATOM 0 H LEU A 47 63.243 7.447 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 47 65.166 5.340 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 47 63.716 3.747 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 47 63.241 5.039 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 47 61.835 4.235 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 47 59.957 3.678 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 47 61.415 2.737 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 47 60.965 4.140 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 47 60.163 5.961 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 47 61.172 6.461 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 47 61.767 6.679 -3.329 1.00 0.00 H new ATOM 805 N GLU A 48 63.720 4.780 -5.078 1.00 0.00 N ATOM 806 CA GLU A 48 63.247 4.797 -6.483 1.00 0.00 C ATOM 807 C GLU A 48 61.763 4.438 -6.481 1.00 0.00 C ATOM 808 O GLU A 48 61.303 3.676 -5.656 1.00 0.00 O ATOM 809 CB GLU A 48 64.030 3.769 -7.304 1.00 0.00 C ATOM 810 CG GLU A 48 63.858 4.065 -8.794 1.00 0.00 C ATOM 811 CD GLU A 48 64.910 3.293 -9.592 1.00 0.00 C ATOM 812 OE1 GLU A 48 65.142 2.140 -9.267 1.00 0.00 O ATOM 813 OE2 GLU A 48 65.465 3.866 -10.514 1.00 0.00 O ATOM 0 H GLU A 48 64.072 3.879 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 48 63.399 5.781 -6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 48 65.086 3.802 -7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 48 63.676 2.763 -7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 48 62.858 3.780 -9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 48 63.960 5.135 -8.977 1.00 0.00 H new ATOM 820 N LYS A 49 61.011 4.983 -7.393 1.00 0.00 N ATOM 821 CA LYS A 49 59.548 4.687 -7.443 1.00 0.00 C ATOM 822 C LYS A 49 59.305 3.178 -7.576 1.00 0.00 C ATOM 823 O LYS A 49 58.220 2.703 -7.310 1.00 0.00 O ATOM 824 CB LYS A 49 58.923 5.410 -8.636 1.00 0.00 C ATOM 825 CG LYS A 49 57.418 5.596 -8.396 1.00 0.00 C ATOM 826 CD LYS A 49 56.637 5.208 -9.654 1.00 0.00 C ATOM 827 CE LYS A 49 55.256 4.684 -9.253 1.00 0.00 C ATOM 828 NZ LYS A 49 54.337 5.833 -9.019 1.00 0.00 N ATOM 0 H LYS A 49 61.346 5.625 -8.112 1.00 0.00 H new ATOM 0 HA LYS A 49 59.090 5.034 -6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 49 59.401 6.379 -8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 49 59.088 4.837 -9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 49 57.097 4.982 -7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 49 57.208 6.633 -8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 49 56.534 6.071 -10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 49 57.180 4.445 -10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 49 54.858 4.040 -10.037 1.00 0.00 H new ATOM 0 HE3 LYS A 49 55.333 4.077 -8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 53.399 5.477 -8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 54.715 6.431 -8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 54.255 6.395 -9.890 1.00 0.00 H new ATOM 842 N ASP A 50 60.295 2.423 -7.990 1.00 0.00 N ATOM 843 CA ASP A 50 60.104 0.953 -8.141 1.00 0.00 C ATOM 844 C ASP A 50 60.047 0.282 -6.768 1.00 0.00 C ATOM 845 O ASP A 50 59.281 -0.641 -6.563 1.00 0.00 O ATOM 846 CB ASP A 50 61.267 0.367 -8.943 1.00 0.00 C ATOM 847 CG ASP A 50 60.947 -1.079 -9.329 1.00 0.00 C ATOM 848 OD1 ASP A 50 60.351 -1.274 -10.376 1.00 0.00 O ATOM 849 OD2 ASP A 50 61.303 -1.966 -8.572 1.00 0.00 O ATOM 0 H ASP A 50 61.226 2.765 -8.229 1.00 0.00 H new ATOM 0 HA ASP A 50 59.165 0.771 -8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 50 61.441 0.963 -9.839 1.00 0.00 H new ATOM 0 HB3 ASP A 50 62.183 0.402 -8.353 1.00 0.00 H new ATOM 854 N VAL A 51 60.841 0.732 -5.823 1.00 0.00 N ATOM 855 CA VAL A 51 60.806 0.098 -4.472 1.00 0.00 C ATOM 856 C VAL A 51 59.641 0.691 -3.669 1.00 0.00 C ATOM 857 O VAL A 51 59.113 0.058 -2.772 1.00 0.00 O ATOM 858 CB VAL A 51 62.143 0.333 -3.748 1.00 0.00 C ATOM 859 CG1 VAL A 51 62.385 1.834 -3.546 1.00 0.00 C ATOM 860 CG2 VAL A 51 62.113 -0.374 -2.387 1.00 0.00 C ATOM 0 H VAL A 51 61.502 1.501 -5.930 1.00 0.00 H new ATOM 0 HA VAL A 51 60.658 -0.977 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 51 62.953 -0.071 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 51 63.335 1.984 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 51 62.414 2.332 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 51 61.578 2.255 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 51 63.059 -0.210 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 51 61.297 0.028 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 51 61.962 -1.443 -2.536 1.00 0.00 H new ATOM 870 N VAL A 52 59.231 1.895 -3.991 1.00 0.00 N ATOM 871 CA VAL A 52 58.098 2.522 -3.256 1.00 0.00 C ATOM 872 C VAL A 52 56.781 1.888 -3.732 1.00 0.00 C ATOM 873 O VAL A 52 55.820 1.798 -2.991 1.00 0.00 O ATOM 874 CB VAL A 52 58.124 4.061 -3.487 1.00 0.00 C ATOM 875 CG1 VAL A 52 57.233 4.498 -4.663 1.00 0.00 C ATOM 876 CG2 VAL A 52 57.654 4.761 -2.209 1.00 0.00 C ATOM 0 H VAL A 52 59.635 2.467 -4.732 1.00 0.00 H new ATOM 0 HA VAL A 52 58.187 2.347 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 52 59.148 4.342 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 52 57.289 5.580 -4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 52 57.577 4.017 -5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 52 56.201 4.207 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 52 57.668 5.841 -2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 52 56.640 4.441 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 52 58.319 4.501 -1.386 1.00 0.00 H new ATOM 886 N ARG A 53 56.740 1.455 -4.970 1.00 0.00 N ATOM 887 CA ARG A 53 55.497 0.834 -5.505 1.00 0.00 C ATOM 888 C ARG A 53 55.421 -0.622 -5.039 1.00 0.00 C ATOM 889 O ARG A 53 54.359 -1.118 -4.715 1.00 0.00 O ATOM 890 CB ARG A 53 55.511 0.903 -7.039 1.00 0.00 C ATOM 891 CG ARG A 53 54.234 1.587 -7.548 1.00 0.00 C ATOM 892 CD ARG A 53 53.252 0.533 -8.066 1.00 0.00 C ATOM 893 NE ARG A 53 52.438 1.111 -9.172 1.00 0.00 N ATOM 894 CZ ARG A 53 52.273 0.441 -10.280 1.00 0.00 C ATOM 895 NH1 ARG A 53 51.843 -0.791 -10.239 1.00 0.00 N ATOM 896 NH2 ARG A 53 52.538 1.002 -11.428 1.00 0.00 N ATOM 0 H ARG A 53 57.516 1.507 -5.629 1.00 0.00 H new ATOM 0 HA ARG A 53 54.624 1.372 -5.136 1.00 0.00 H new ATOM 0 HB2 ARG A 53 56.388 1.454 -7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 53 55.585 -0.102 -7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 53 53.774 2.162 -6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 53 54.480 2.290 -8.344 1.00 0.00 H new ATOM 0 HD2 ARG A 53 53.796 -0.343 -8.420 1.00 0.00 H new ATOM 0 HD3 ARG A 53 52.601 0.199 -7.258 1.00 0.00 H new ATOM 0 HE ARG A 53 52.010 2.030 -9.063 1.00 0.00 H new ATOM 0 HH11 ARG A 53 51.636 -1.229 -9.342 1.00 0.00 H new ATOM 0 HH12 ARG A 53 51.714 -1.315 -11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 53 52.874 1.964 -11.460 1.00 0.00 H new ATOM 0 HH22 ARG A 53 52.409 0.478 -12.294 1.00 0.00 H new ATOM 910 N VAL A 54 56.540 -1.305 -4.989 1.00 0.00 N ATOM 911 CA VAL A 54 56.534 -2.727 -4.526 1.00 0.00 C ATOM 912 C VAL A 54 56.059 -2.776 -3.075 1.00 0.00 C ATOM 913 O VAL A 54 55.246 -3.608 -2.718 1.00 0.00 O ATOM 914 CB VAL A 54 57.946 -3.314 -4.641 1.00 0.00 C ATOM 915 CG1 VAL A 54 57.928 -4.789 -4.227 1.00 0.00 C ATOM 916 CG2 VAL A 54 58.428 -3.200 -6.091 1.00 0.00 C ATOM 0 H VAL A 54 57.456 -0.939 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 54 55.859 -3.316 -5.147 1.00 0.00 H new ATOM 0 HB VAL A 54 58.620 -2.763 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 54 58.933 -5.203 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 54 57.585 -4.873 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 54 57.253 -5.342 -4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 54 59.432 -3.617 -6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 54 57.751 -3.751 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 54 58.445 -2.151 -6.387 1.00 0.00 H new ATOM 926 N TRP A 55 56.536 -1.881 -2.240 1.00 0.00 N ATOM 927 CA TRP A 55 56.069 -1.885 -0.826 1.00 0.00 C ATOM 928 C TRP A 55 54.585 -1.494 -0.819 1.00 0.00 C ATOM 929 O TRP A 55 53.818 -2.014 -0.031 1.00 0.00 O ATOM 930 CB TRP A 55 56.893 -0.896 0.032 1.00 0.00 C ATOM 931 CG TRP A 55 56.215 -0.690 1.362 1.00 0.00 C ATOM 932 CD1 TRP A 55 56.249 -1.551 2.415 1.00 0.00 C ATOM 933 CD2 TRP A 55 55.365 0.420 1.778 1.00 0.00 C ATOM 934 NE1 TRP A 55 55.474 -1.030 3.433 1.00 0.00 N ATOM 935 CE2 TRP A 55 54.921 0.174 3.093 1.00 0.00 C ATOM 936 CE3 TRP A 55 54.942 1.606 1.153 1.00 0.00 C ATOM 937 CZ2 TRP A 55 54.092 1.057 3.764 1.00 0.00 C ATOM 938 CZ3 TRP A 55 54.098 2.500 1.831 1.00 0.00 C ATOM 939 CH2 TRP A 55 53.673 2.225 3.134 1.00 0.00 C ATOM 0 H TRP A 55 57.218 -1.160 -2.477 1.00 0.00 H new ATOM 0 HA TRP A 55 56.203 -2.877 -0.394 1.00 0.00 H new ATOM 0 HB2 TRP A 55 57.901 -1.283 0.183 1.00 0.00 H new ATOM 0 HB3 TRP A 55 56.992 0.057 -0.488 1.00 0.00 H new ATOM 0 HD1 TRP A 55 56.791 -2.485 2.449 1.00 0.00 H new ATOM 0 HE1 TRP A 55 55.331 -1.489 4.332 1.00 0.00 H new ATOM 0 HE3 TRP A 55 55.267 1.830 0.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 53.772 0.840 4.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 53.775 3.407 1.342 1.00 0.00 H new ATOM 0 HH2 TRP A 55 53.022 2.916 3.649 1.00 0.00 H new ATOM 950 N PHE A 56 54.176 -0.583 -1.678 1.00 0.00 N ATOM 951 CA PHE A 56 52.738 -0.188 -1.678 1.00 0.00 C ATOM 952 C PHE A 56 51.907 -1.150 -2.524 1.00 0.00 C ATOM 953 O PHE A 56 50.698 -1.024 -2.585 1.00 0.00 O ATOM 954 CB PHE A 56 52.544 1.264 -2.157 1.00 0.00 C ATOM 955 CG PHE A 56 51.496 1.931 -1.278 1.00 0.00 C ATOM 956 CD1 PHE A 56 51.619 1.855 0.112 1.00 0.00 C ATOM 957 CD2 PHE A 56 50.399 2.593 -1.841 1.00 0.00 C ATOM 958 CE1 PHE A 56 50.665 2.432 0.940 1.00 0.00 C ATOM 959 CE2 PHE A 56 49.433 3.174 -1.006 1.00 0.00 C ATOM 960 CZ PHE A 56 49.571 3.090 0.388 1.00 0.00 C ATOM 0 H PHE A 56 54.766 -0.109 -2.362 1.00 0.00 H new ATOM 0 HA PHE A 56 52.387 -0.244 -0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 56 53.486 1.809 -2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 56 52.228 1.279 -3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 56 52.464 1.342 0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 56 50.297 2.656 -2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 56 50.773 2.370 2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 56 48.584 3.685 -1.435 1.00 0.00 H new ATOM 0 HZ PHE A 56 48.828 3.536 1.032 1.00 0.00 H new ATOM 970 N CYS A 57 52.518 -2.143 -3.124 1.00 0.00 N ATOM 971 CA CYS A 57 51.722 -3.136 -3.889 1.00 0.00 C ATOM 972 C CYS A 57 51.085 -4.051 -2.851 1.00 0.00 C ATOM 973 O CYS A 57 49.932 -4.426 -2.950 1.00 0.00 O ATOM 974 CB CYS A 57 52.628 -3.943 -4.823 1.00 0.00 C ATOM 975 SG CYS A 57 51.609 -4.885 -5.984 1.00 0.00 S ATOM 0 H CYS A 57 53.525 -2.303 -3.114 1.00 0.00 H new ATOM 0 HA CYS A 57 50.970 -2.650 -4.511 1.00 0.00 H new ATOM 0 HB2 CYS A 57 53.295 -3.275 -5.367 1.00 0.00 H new ATOM 0 HB3 CYS A 57 53.257 -4.619 -4.243 1.00 0.00 H new ATOM 0 HG CYS A 57 52.377 -5.569 -6.779 1.00 0.00 H new ATOM 981 N ASN A 58 51.835 -4.372 -1.825 1.00 0.00 N ATOM 982 CA ASN A 58 51.293 -5.220 -0.730 1.00 0.00 C ATOM 983 C ASN A 58 50.519 -4.319 0.240 1.00 0.00 C ATOM 984 O ASN A 58 49.524 -4.724 0.810 1.00 0.00 O ATOM 985 CB ASN A 58 52.440 -5.911 0.010 1.00 0.00 C ATOM 986 CG ASN A 58 52.766 -7.238 -0.680 1.00 0.00 C ATOM 987 OD1 ASN A 58 53.521 -7.272 -1.631 1.00 0.00 O ATOM 988 ND2 ASN A 58 52.222 -8.340 -0.240 1.00 0.00 N ATOM 0 H ASN A 58 52.804 -4.079 -1.703 1.00 0.00 H new ATOM 0 HA ASN A 58 50.633 -5.984 -1.141 1.00 0.00 H new ATOM 0 HB2 ASN A 58 53.320 -5.268 0.020 1.00 0.00 H new ATOM 0 HB3 ASN A 58 52.162 -6.088 1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 58 52.431 -9.229 -0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 58 51.588 -8.312 0.559 1.00 0.00 H new ATOM 995 N ARG A 59 50.958 -3.088 0.413 1.00 0.00 N ATOM 996 CA ARG A 59 50.226 -2.157 1.327 1.00 0.00 C ATOM 997 C ARG A 59 48.895 -1.764 0.669 1.00 0.00 C ATOM 998 O ARG A 59 47.971 -1.340 1.339 1.00 0.00 O ATOM 999 CB ARG A 59 51.066 -0.886 1.617 1.00 0.00 C ATOM 1000 CG ARG A 59 51.296 -0.736 3.124 1.00 0.00 C ATOM 1001 CD ARG A 59 49.955 -0.585 3.852 1.00 0.00 C ATOM 1002 NE ARG A 59 50.071 -1.145 5.227 1.00 0.00 N ATOM 1003 CZ ARG A 59 49.919 -2.425 5.423 1.00 0.00 C ATOM 1004 NH1 ARG A 59 48.754 -2.980 5.231 1.00 0.00 N ATOM 1005 NH2 ARG A 59 50.934 -3.151 5.807 1.00 0.00 N ATOM 0 H ARG A 59 51.785 -2.695 -0.037 1.00 0.00 H new ATOM 0 HA ARG A 59 50.043 -2.661 2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 59 52.024 -0.948 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 59 50.552 -0.006 1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 59 51.830 -1.606 3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 59 51.924 0.134 3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 59 49.671 0.466 3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 59 49.170 -1.103 3.302 1.00 0.00 H new ATOM 0 HE ARG A 59 50.269 -0.528 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 59 47.963 -2.413 4.928 1.00 0.00 H new ATOM 0 HH12 ARG A 59 48.635 -3.981 5.384 1.00 0.00 H new ATOM 0 HH21 ARG A 59 51.845 -2.717 5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 59 50.816 -4.152 5.961 1.00 0.00 H new ATOM 1019 N ARG A 60 48.781 -1.912 -0.636 1.00 0.00 N ATOM 1020 CA ARG A 60 47.504 -1.559 -1.323 1.00 0.00 C ATOM 1021 C ARG A 60 46.512 -2.709 -1.146 1.00 0.00 C ATOM 1022 O ARG A 60 45.329 -2.498 -0.958 1.00 0.00 O ATOM 1023 CB ARG A 60 47.768 -1.335 -2.815 1.00 0.00 C ATOM 1024 CG ARG A 60 48.034 0.151 -3.064 1.00 0.00 C ATOM 1025 CD ARG A 60 48.275 0.389 -4.556 1.00 0.00 C ATOM 1026 NE ARG A 60 46.970 0.590 -5.246 1.00 0.00 N ATOM 1027 CZ ARG A 60 46.904 1.345 -6.309 1.00 0.00 C ATOM 1028 NH1 ARG A 60 47.699 1.118 -7.319 1.00 0.00 N ATOM 1029 NH2 ARG A 60 46.047 2.327 -6.361 1.00 0.00 N ATOM 0 H ARG A 60 49.519 -2.262 -1.247 1.00 0.00 H new ATOM 0 HA ARG A 60 47.093 -0.646 -0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 60 48.623 -1.928 -3.138 1.00 0.00 H new ATOM 0 HB3 ARG A 60 46.911 -1.666 -3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 60 47.185 0.744 -2.724 1.00 0.00 H new ATOM 0 HG3 ARG A 60 48.901 0.476 -2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 60 48.911 1.263 -4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 60 48.801 -0.462 -4.990 1.00 0.00 H new ATOM 0 HE ARG A 60 46.129 0.138 -4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 60 48.371 0.352 -7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 60 47.649 1.707 -8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 60 45.428 2.506 -5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 60 45.996 2.916 -7.192 1.00 0.00 H new ATOM 1043 N GLN A 61 46.993 -3.925 -1.201 1.00 0.00 N ATOM 1044 CA GLN A 61 46.093 -5.103 -1.033 1.00 0.00 C ATOM 1045 C GLN A 61 46.537 -5.914 0.187 1.00 0.00 C ATOM 1046 O GLN A 61 47.027 -7.022 0.069 1.00 0.00 O ATOM 1047 CB GLN A 61 46.157 -5.979 -2.286 1.00 0.00 C ATOM 1048 CG GLN A 61 45.634 -5.189 -3.489 1.00 0.00 C ATOM 1049 CD GLN A 61 44.106 -5.291 -3.557 1.00 0.00 C ATOM 1050 OE1 GLN A 61 43.482 -5.922 -2.725 1.00 0.00 O ATOM 1051 NE2 GLN A 61 43.471 -4.689 -4.524 1.00 0.00 N ATOM 0 H GLN A 61 47.975 -4.152 -1.356 1.00 0.00 H new ATOM 0 HA GLN A 61 45.069 -4.760 -0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 61 47.183 -6.300 -2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 61 45.562 -6.881 -2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 61 45.934 -4.144 -3.407 1.00 0.00 H new ATOM 0 HG3 GLN A 61 46.074 -5.576 -4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 61 43.991 -4.159 -5.223 1.00 0.00 H new ATOM 0 HE22 GLN A 61 42.454 -4.748 -4.581 1.00 0.00 H new