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= 0.0344 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 180:sc= 0 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= -1.2 K(o=-1.2,f=-5.8!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 40 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.3) USER MOD Single : A 43 ASN : amide:sc= 0.0795 X(o=0.08,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.65) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.867 USER MOD Single : A 58 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.9!) USER MOD Single : A 61 GLN :FLIP amide:sc= 0.67 F(o=-1,f=0.67) USER MOD ----------------------------------------------------------------- ATOM 252 N ILE A 15 54.469 9.114 2.018 1.00 0.00 N ATOM 253 CA ILE A 15 54.138 7.938 1.161 1.00 0.00 C ATOM 254 C ILE A 15 53.365 8.402 -0.072 1.00 0.00 C ATOM 255 O ILE A 15 52.147 8.391 -0.095 1.00 0.00 O ATOM 256 CB ILE A 15 53.305 6.926 1.964 1.00 0.00 C ATOM 257 CG1 ILE A 15 54.172 6.343 3.093 1.00 0.00 C ATOM 258 CG2 ILE A 15 52.818 5.785 1.052 1.00 0.00 C ATOM 259 CD1 ILE A 15 55.365 5.566 2.510 1.00 0.00 C ATOM 0 HA ILE A 15 55.060 7.454 0.838 1.00 0.00 H new ATOM 0 HB ILE A 15 52.436 7.434 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 15 54.533 7.147 3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 15 53.570 5.682 3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 15 52.230 5.078 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 15 52.201 6.196 0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 15 53.678 5.272 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 15 55.967 5.161 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 15 54.998 4.749 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 15 55.976 6.237 1.906 1.00 0.00 H new ATOM 271 N GLU A 16 54.070 8.773 -1.104 1.00 0.00 N ATOM 272 CA GLU A 16 53.398 9.195 -2.351 1.00 0.00 C ATOM 273 C GLU A 16 53.009 7.931 -3.103 1.00 0.00 C ATOM 274 O GLU A 16 53.602 6.887 -2.906 1.00 0.00 O ATOM 275 CB GLU A 16 54.357 10.031 -3.204 1.00 0.00 C ATOM 276 CG GLU A 16 53.560 11.066 -4.001 1.00 0.00 C ATOM 277 CD GLU A 16 54.489 11.778 -4.987 1.00 0.00 C ATOM 278 OE1 GLU A 16 55.415 12.429 -4.533 1.00 0.00 O ATOM 279 OE2 GLU A 16 54.257 11.660 -6.179 1.00 0.00 O ATOM 0 H GLU A 16 55.089 8.800 -1.131 1.00 0.00 H new ATOM 0 HA GLU A 16 52.520 9.802 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 16 55.087 10.530 -2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 16 54.915 9.385 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.747 10.579 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 16 53.106 11.790 -3.325 1.00 0.00 H new ATOM 286 N ASN A 17 52.026 8.003 -3.955 1.00 0.00 N ATOM 287 CA ASN A 17 51.618 6.788 -4.717 1.00 0.00 C ATOM 288 C ASN A 17 52.796 6.309 -5.574 1.00 0.00 C ATOM 289 O ASN A 17 52.863 5.156 -5.957 1.00 0.00 O ATOM 290 CB ASN A 17 50.412 7.112 -5.608 1.00 0.00 C ATOM 291 CG ASN A 17 49.140 6.542 -4.976 1.00 0.00 C ATOM 292 OD1 ASN A 17 48.790 6.893 -3.867 1.00 0.00 O ATOM 293 ND2 ASN A 17 48.429 5.672 -5.639 1.00 0.00 N ATOM 0 H ASN A 17 51.489 8.846 -4.157 1.00 0.00 H new ATOM 0 HA ASN A 17 51.335 5.998 -4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 17 50.317 8.191 -5.731 1.00 0.00 H new ATOM 0 HB3 ASN A 17 50.557 6.689 -6.602 1.00 0.00 H new ATOM 0 HD21 ASN A 17 47.580 5.287 -5.226 1.00 0.00 H new ATOM 0 HD22 ASN A 17 48.723 5.377 -6.570 1.00 0.00 H new ATOM 300 N ARG A 18 53.735 7.181 -5.857 1.00 0.00 N ATOM 301 CA ARG A 18 54.917 6.775 -6.660 1.00 0.00 C ATOM 302 C ARG A 18 55.953 6.144 -5.722 1.00 0.00 C ATOM 303 O ARG A 18 56.713 5.283 -6.122 1.00 0.00 O ATOM 304 CB ARG A 18 55.515 8.009 -7.357 1.00 0.00 C ATOM 305 CG ARG A 18 55.513 7.808 -8.882 1.00 0.00 C ATOM 306 CD ARG A 18 54.466 8.722 -9.527 1.00 0.00 C ATOM 307 NE ARG A 18 54.038 8.143 -10.833 1.00 0.00 N ATOM 308 CZ ARG A 18 53.041 7.302 -10.877 1.00 0.00 C ATOM 309 NH1 ARG A 18 53.259 6.024 -10.733 1.00 0.00 N ATOM 310 NH2 ARG A 18 51.826 7.738 -11.064 1.00 0.00 N ATOM 0 H ARG A 18 53.727 8.158 -5.563 1.00 0.00 H new ATOM 0 HA ARG A 18 54.624 6.052 -7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 18 54.938 8.897 -7.099 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.533 8.177 -7.006 1.00 0.00 H new ATOM 0 HG2 ARG A 18 56.500 8.028 -9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.296 6.767 -9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 18 53.606 8.831 -8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 18 54.881 9.719 -9.677 1.00 0.00 H new ATOM 0 HE ARG A 18 54.524 8.404 -11.691 1.00 0.00 H new ATOM 0 HH11 ARG A 18 54.209 5.682 -10.586 1.00 0.00 H new ATOM 0 HH12 ARG A 18 52.480 5.367 -10.767 1.00 0.00 H new ATOM 0 HH21 ARG A 18 51.654 8.737 -11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 18 51.048 7.080 -11.098 1.00 0.00 H new ATOM 324 N VAL A 19 55.987 6.565 -4.475 1.00 0.00 N ATOM 325 CA VAL A 19 56.975 5.980 -3.519 1.00 0.00 C ATOM 326 C VAL A 19 56.629 4.514 -3.279 1.00 0.00 C ATOM 327 O VAL A 19 57.494 3.665 -3.257 1.00 0.00 O ATOM 328 CB VAL A 19 57.008 6.790 -2.191 1.00 0.00 C ATOM 329 CG1 VAL A 19 56.126 6.187 -1.077 1.00 0.00 C ATOM 330 CG2 VAL A 19 58.451 6.820 -1.693 1.00 0.00 C ATOM 0 H VAL A 19 55.376 7.283 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 19 57.976 6.037 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 19 56.615 7.783 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 19 56.199 6.804 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 19 55.089 6.154 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 19 56.467 5.177 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 19 58.503 7.383 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 19 58.798 5.801 -1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 19 59.084 7.297 -2.441 1.00 0.00 H new ATOM 340 N ARG A 20 55.371 4.223 -3.072 1.00 0.00 N ATOM 341 CA ARG A 20 54.966 2.808 -2.825 1.00 0.00 C ATOM 342 C ARG A 20 55.314 1.970 -4.049 1.00 0.00 C ATOM 343 O ARG A 20 55.752 0.837 -3.935 1.00 0.00 O ATOM 344 CB ARG A 20 53.461 2.736 -2.556 1.00 0.00 C ATOM 345 CG ARG A 20 53.124 3.541 -1.296 1.00 0.00 C ATOM 346 CD ARG A 20 51.617 3.472 -1.019 1.00 0.00 C ATOM 347 NE ARG A 20 51.373 2.635 0.190 1.00 0.00 N ATOM 348 CZ ARG A 20 50.220 2.688 0.801 1.00 0.00 C ATOM 349 NH1 ARG A 20 49.178 2.099 0.280 1.00 0.00 N ATOM 350 NH2 ARG A 20 50.109 3.330 1.931 1.00 0.00 N ATOM 0 H ARG A 20 54.609 4.901 -3.063 1.00 0.00 H new ATOM 0 HA ARG A 20 55.497 2.423 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 20 52.910 3.130 -3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 20 53.153 1.698 -2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 20 53.678 3.147 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 20 53.432 4.579 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 20 51.218 4.475 -0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 20 51.097 3.049 -1.879 1.00 0.00 H new ATOM 0 HE ARG A 20 52.107 2.020 0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 20 49.265 1.598 -0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 20 48.277 2.140 0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 20 50.923 3.791 2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 20 49.208 3.371 2.408 1.00 0.00 H new ATOM 364 N TRP A 21 55.140 2.521 -5.218 1.00 0.00 N ATOM 365 CA TRP A 21 55.477 1.750 -6.443 1.00 0.00 C ATOM 366 C TRP A 21 56.965 1.888 -6.769 1.00 0.00 C ATOM 367 O TRP A 21 57.501 1.136 -7.562 1.00 0.00 O ATOM 368 CB TRP A 21 54.508 2.118 -7.571 1.00 0.00 C ATOM 369 CG TRP A 21 53.124 1.858 -7.027 1.00 0.00 C ATOM 370 CD1 TRP A 21 52.050 2.666 -7.177 1.00 0.00 C ATOM 371 CD2 TRP A 21 52.676 0.738 -6.188 1.00 0.00 C ATOM 372 NE1 TRP A 21 50.978 2.122 -6.479 1.00 0.00 N ATOM 373 CE2 TRP A 21 51.318 0.934 -5.853 1.00 0.00 C ATOM 374 CE3 TRP A 21 53.312 -0.417 -5.689 1.00 0.00 C ATOM 375 CZ2 TRP A 21 50.627 0.017 -5.042 1.00 0.00 C ATOM 376 CZ3 TRP A 21 52.630 -1.325 -4.890 1.00 0.00 C ATOM 377 CH2 TRP A 21 51.292 -1.111 -4.557 1.00 0.00 C ATOM 0 H TRP A 21 54.782 3.463 -5.376 1.00 0.00 H new ATOM 0 HA TRP A 21 55.334 0.681 -6.285 1.00 0.00 H new ATOM 0 HB2 TRP A 21 54.624 3.162 -7.861 1.00 0.00 H new ATOM 0 HB3 TRP A 21 54.698 1.517 -8.461 1.00 0.00 H new ATOM 0 HD1 TRP A 21 52.029 3.584 -7.746 1.00 0.00 H new ATOM 0 HE1 TRP A 21 50.052 2.547 -6.433 1.00 0.00 H new ATOM 0 HE3 TRP A 21 54.348 -0.599 -5.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 49.589 0.184 -4.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 53.139 -2.204 -4.523 1.00 0.00 H new ATOM 0 HH2 TRP A 21 50.772 -1.816 -3.926 1.00 0.00 H new ATOM 388 N SER A 22 57.665 2.739 -6.051 1.00 0.00 N ATOM 389 CA SER A 22 59.136 2.798 -6.195 1.00 0.00 C ATOM 390 C SER A 22 59.632 1.547 -5.462 1.00 0.00 C ATOM 391 O SER A 22 60.512 0.842 -5.919 1.00 0.00 O ATOM 392 CB SER A 22 59.690 4.060 -5.532 1.00 0.00 C ATOM 393 OG SER A 22 61.112 4.021 -5.561 1.00 0.00 O ATOM 0 H SER A 22 57.269 3.391 -5.374 1.00 0.00 H new ATOM 0 HA SER A 22 59.455 2.830 -7.237 1.00 0.00 H new ATOM 0 HB2 SER A 22 59.328 4.947 -6.053 1.00 0.00 H new ATOM 0 HB3 SER A 22 59.338 4.129 -4.503 1.00 0.00 H new ATOM 0 HG SER A 22 61.470 4.829 -5.138 1.00 0.00 H new ATOM 399 N LEU A 23 58.988 1.225 -4.345 1.00 0.00 N ATOM 400 CA LEU A 23 59.318 -0.024 -3.594 1.00 0.00 C ATOM 401 C LEU A 23 59.166 -1.188 -4.568 1.00 0.00 C ATOM 402 O LEU A 23 60.028 -2.026 -4.711 1.00 0.00 O ATOM 403 CB LEU A 23 58.284 -0.277 -2.485 1.00 0.00 C ATOM 404 CG LEU A 23 58.193 0.853 -1.471 1.00 0.00 C ATOM 405 CD1 LEU A 23 56.791 0.787 -0.851 1.00 0.00 C ATOM 406 CD2 LEU A 23 59.244 0.654 -0.370 1.00 0.00 C ATOM 0 H LEU A 23 58.245 1.787 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 23 60.318 0.069 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 23 57.305 -0.426 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 23 58.539 -1.201 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 23 58.371 1.816 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 23 56.681 1.583 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 23 56.041 0.910 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 23 56.653 -0.179 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.173 1.467 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.067 -0.296 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 23 60.240 0.649 -0.814 1.00 0.00 H new ATOM 418 N GLU A 24 58.030 -1.227 -5.224 1.00 0.00 N ATOM 419 CA GLU A 24 57.724 -2.323 -6.203 1.00 0.00 C ATOM 420 C GLU A 24 58.889 -2.540 -7.175 1.00 0.00 C ATOM 421 O GLU A 24 59.157 -3.653 -7.574 1.00 0.00 O ATOM 422 CB GLU A 24 56.470 -1.945 -7.004 1.00 0.00 C ATOM 423 CG GLU A 24 55.370 -2.986 -6.787 1.00 0.00 C ATOM 424 CD GLU A 24 54.427 -2.985 -7.991 1.00 0.00 C ATOM 425 OE1 GLU A 24 54.194 -1.918 -8.535 1.00 0.00 O ATOM 426 OE2 GLU A 24 53.954 -4.051 -8.349 1.00 0.00 O ATOM 0 H GLU A 24 57.289 -0.534 -5.121 1.00 0.00 H new ATOM 0 HA GLU A 24 57.561 -3.246 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 24 56.116 -0.961 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 24 56.713 -1.878 -8.064 1.00 0.00 H new ATOM 0 HG2 GLU A 24 55.810 -3.975 -6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 24 54.815 -2.761 -5.876 1.00 0.00 H new ATOM 433 N THR A 25 59.570 -1.493 -7.565 1.00 0.00 N ATOM 434 CA THR A 25 60.709 -1.661 -8.514 1.00 0.00 C ATOM 435 C THR A 25 61.849 -2.370 -7.792 1.00 0.00 C ATOM 436 O THR A 25 62.465 -3.278 -8.316 1.00 0.00 O ATOM 437 CB THR A 25 61.190 -0.291 -9.005 1.00 0.00 C ATOM 438 OG1 THR A 25 60.123 0.642 -8.929 1.00 0.00 O ATOM 439 CG2 THR A 25 61.668 -0.406 -10.454 1.00 0.00 C ATOM 0 H THR A 25 59.387 -0.534 -7.269 1.00 0.00 H new ATOM 0 HA THR A 25 60.385 -2.250 -9.372 1.00 0.00 H new ATOM 0 HB THR A 25 62.014 0.050 -8.378 1.00 0.00 H new ATOM 0 HG1 THR A 25 60.432 1.518 -9.241 1.00 0.00 H new ATOM 0 HG21 THR A 25 62.010 0.568 -10.803 1.00 0.00 H new ATOM 0 HG22 THR A 25 62.489 -1.120 -10.511 1.00 0.00 H new ATOM 0 HG23 THR A 25 60.846 -0.748 -11.082 1.00 0.00 H new ATOM 447 N MET A 26 62.132 -1.948 -6.591 1.00 0.00 N ATOM 448 CA MET A 26 63.242 -2.575 -5.810 1.00 0.00 C ATOM 449 C MET A 26 62.955 -4.062 -5.537 1.00 0.00 C ATOM 450 O MET A 26 63.869 -4.853 -5.399 1.00 0.00 O ATOM 451 CB MET A 26 63.395 -1.840 -4.478 1.00 0.00 C ATOM 452 CG MET A 26 64.734 -2.217 -3.843 1.00 0.00 C ATOM 453 SD MET A 26 66.083 -1.475 -4.797 1.00 0.00 S ATOM 454 CE MET A 26 67.118 -0.995 -3.393 1.00 0.00 C ATOM 0 H MET A 26 61.642 -1.193 -6.112 1.00 0.00 H new ATOM 0 HA MET A 26 64.160 -2.502 -6.393 1.00 0.00 H new ATOM 0 HB2 MET A 26 63.345 -0.763 -4.636 1.00 0.00 H new ATOM 0 HB3 MET A 26 62.576 -2.102 -3.809 1.00 0.00 H new ATOM 0 HG2 MET A 26 64.770 -1.869 -2.811 1.00 0.00 H new ATOM 0 HG3 MET A 26 64.845 -3.301 -3.818 1.00 0.00 H new ATOM 0 HE1 MET A 26 68.023 -0.509 -3.757 1.00 0.00 H new ATOM 0 HE2 MET A 26 66.567 -0.305 -2.754 1.00 0.00 H new ATOM 0 HE3 MET A 26 67.388 -1.882 -2.820 1.00 0.00 H new ATOM 464 N PHE A 27 61.705 -4.446 -5.445 1.00 0.00 N ATOM 465 CA PHE A 27 61.374 -5.880 -5.163 1.00 0.00 C ATOM 466 C PHE A 27 61.220 -6.666 -6.472 1.00 0.00 C ATOM 467 O PHE A 27 61.350 -7.876 -6.492 1.00 0.00 O ATOM 468 CB PHE A 27 60.064 -5.961 -4.362 1.00 0.00 C ATOM 469 CG PHE A 27 60.304 -5.466 -2.956 1.00 0.00 C ATOM 470 CD1 PHE A 27 61.121 -6.198 -2.087 1.00 0.00 C ATOM 471 CD2 PHE A 27 59.706 -4.278 -2.520 1.00 0.00 C ATOM 472 CE1 PHE A 27 61.339 -5.743 -0.781 1.00 0.00 C ATOM 473 CE2 PHE A 27 59.925 -3.821 -1.215 1.00 0.00 C ATOM 474 CZ PHE A 27 60.741 -4.554 -0.345 1.00 0.00 C ATOM 0 H PHE A 27 60.899 -3.830 -5.553 1.00 0.00 H new ATOM 0 HA PHE A 27 62.188 -6.316 -4.584 1.00 0.00 H new ATOM 0 HB2 PHE A 27 59.293 -5.360 -4.844 1.00 0.00 H new ATOM 0 HB3 PHE A 27 59.701 -6.989 -4.341 1.00 0.00 H new ATOM 0 HD1 PHE A 27 61.583 -7.114 -2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 27 59.075 -3.714 -3.191 1.00 0.00 H new ATOM 0 HE1 PHE A 27 61.968 -6.309 -0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 27 59.465 -2.903 -0.880 1.00 0.00 H new ATOM 0 HZ PHE A 27 60.909 -4.203 0.662 1.00 0.00 H new ATOM 484 N LEU A 28 60.928 -5.995 -7.556 1.00 0.00 N ATOM 485 CA LEU A 28 60.745 -6.702 -8.859 1.00 0.00 C ATOM 486 C LEU A 28 62.058 -6.764 -9.654 1.00 0.00 C ATOM 487 O LEU A 28 62.083 -7.270 -10.762 1.00 0.00 O ATOM 488 CB LEU A 28 59.674 -5.978 -9.674 1.00 0.00 C ATOM 489 CG LEU A 28 58.332 -6.092 -8.945 1.00 0.00 C ATOM 490 CD1 LEU A 28 57.285 -5.235 -9.655 1.00 0.00 C ATOM 491 CD2 LEU A 28 57.877 -7.555 -8.938 1.00 0.00 C ATOM 0 H LEU A 28 60.808 -4.983 -7.595 1.00 0.00 H new ATOM 0 HA LEU A 28 60.433 -7.727 -8.657 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.944 -4.930 -9.804 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.600 -6.414 -10.670 1.00 0.00 H new ATOM 0 HG LEU A 28 58.448 -5.742 -7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.332 -5.319 -9.133 1.00 0.00 H new ATOM 0 HD12 LEU A 28 57.607 -4.194 -9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 28 57.168 -5.580 -10.682 1.00 0.00 H new ATOM 0 HD21 LEU A 28 56.922 -7.637 -8.419 1.00 0.00 H new ATOM 0 HD22 LEU A 28 57.764 -7.906 -9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 28 58.621 -8.165 -8.426 1.00 0.00 H new ATOM 503 N LYS A 29 63.146 -6.273 -9.109 1.00 0.00 N ATOM 504 CA LYS A 29 64.442 -6.331 -9.850 1.00 0.00 C ATOM 505 C LYS A 29 65.252 -7.512 -9.320 1.00 0.00 C ATOM 506 O LYS A 29 65.954 -8.183 -10.052 1.00 0.00 O ATOM 507 CB LYS A 29 65.226 -5.024 -9.646 1.00 0.00 C ATOM 508 CG LYS A 29 65.551 -4.821 -8.158 1.00 0.00 C ATOM 509 CD LYS A 29 66.386 -3.547 -7.983 1.00 0.00 C ATOM 510 CE LYS A 29 65.578 -2.320 -8.425 1.00 0.00 C ATOM 511 NZ LYS A 29 66.212 -1.716 -9.631 1.00 0.00 N ATOM 0 H LYS A 29 63.191 -5.837 -8.188 1.00 0.00 H new ATOM 0 HA LYS A 29 64.253 -6.457 -10.916 1.00 0.00 H new ATOM 0 HB2 LYS A 29 66.149 -5.052 -10.226 1.00 0.00 H new ATOM 0 HB3 LYS A 29 64.642 -4.181 -10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 29 64.629 -4.746 -7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 29 66.098 -5.682 -7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 29 66.684 -3.439 -6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 29 67.301 -3.620 -8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 29 64.551 -2.608 -8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 29 65.536 -1.589 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 65.665 -0.884 -9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 67.185 -1.427 -9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 66.230 -2.415 -10.401 1.00 0.00 H new ATOM 525 N CYS A 30 65.144 -7.765 -8.045 1.00 0.00 N ATOM 526 CA CYS A 30 65.878 -8.892 -7.428 1.00 0.00 C ATOM 527 C CYS A 30 64.955 -9.555 -6.388 1.00 0.00 C ATOM 528 O CYS A 30 64.380 -8.860 -5.573 1.00 0.00 O ATOM 529 CB CYS A 30 67.135 -8.360 -6.732 1.00 0.00 C ATOM 530 SG CYS A 30 68.554 -8.489 -7.849 1.00 0.00 S ATOM 0 H CYS A 30 64.567 -7.226 -7.399 1.00 0.00 H new ATOM 0 HA CYS A 30 66.171 -9.616 -8.188 1.00 0.00 H new ATOM 0 HB2 CYS A 30 66.986 -7.321 -6.436 1.00 0.00 H new ATOM 0 HB3 CYS A 30 67.325 -8.927 -5.821 1.00 0.00 H new ATOM 0 HG CYS A 30 69.617 -8.034 -7.255 1.00 0.00 H new ATOM 536 N PRO A 31 64.829 -10.873 -6.419 1.00 0.00 N ATOM 537 CA PRO A 31 63.978 -11.601 -5.461 1.00 0.00 C ATOM 538 C PRO A 31 64.774 -11.920 -4.194 1.00 0.00 C ATOM 539 O PRO A 31 64.491 -12.887 -3.511 1.00 0.00 O ATOM 540 CB PRO A 31 63.659 -12.907 -6.188 1.00 0.00 C ATOM 541 CG PRO A 31 64.801 -13.119 -7.210 1.00 0.00 C ATOM 542 CD PRO A 31 65.493 -11.757 -7.396 1.00 0.00 C ATOM 0 HA PRO A 31 63.094 -11.035 -5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 31 63.604 -13.740 -5.487 1.00 0.00 H new ATOM 0 HB3 PRO A 31 62.693 -12.848 -6.690 1.00 0.00 H new ATOM 0 HG2 PRO A 31 65.509 -13.866 -6.849 1.00 0.00 H new ATOM 0 HG3 PRO A 31 64.408 -13.485 -8.158 1.00 0.00 H new ATOM 0 HD2 PRO A 31 66.564 -11.826 -7.206 1.00 0.00 H new ATOM 0 HD3 PRO A 31 65.373 -11.386 -8.414 1.00 0.00 H new ATOM 550 N LYS A 32 65.783 -11.139 -3.887 1.00 0.00 N ATOM 551 CA LYS A 32 66.607 -11.426 -2.688 1.00 0.00 C ATOM 552 C LYS A 32 66.592 -10.240 -1.688 1.00 0.00 C ATOM 553 O LYS A 32 67.643 -9.832 -1.228 1.00 0.00 O ATOM 554 CB LYS A 32 68.047 -11.680 -3.150 1.00 0.00 C ATOM 555 CG LYS A 32 68.530 -10.485 -3.985 1.00 0.00 C ATOM 556 CD LYS A 32 70.053 -10.360 -3.878 1.00 0.00 C ATOM 557 CE LYS A 32 70.721 -11.052 -5.072 1.00 0.00 C ATOM 558 NZ LYS A 32 71.595 -12.154 -4.580 1.00 0.00 N ATOM 0 H LYS A 32 66.065 -10.317 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 32 66.196 -12.297 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 32 68.698 -11.823 -2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 32 68.096 -12.595 -3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 32 68.239 -10.616 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 32 68.055 -9.569 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 32 70.339 -9.308 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 32 70.399 -10.809 -2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 32 69.963 -11.448 -5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 32 71.310 -10.332 -5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 72.049 -12.624 -5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 72.326 -11.763 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 71.021 -12.845 -4.055 1.00 0.00 H new ATOM 572 N PRO A 33 65.424 -9.713 -1.345 1.00 0.00 N ATOM 573 CA PRO A 33 65.346 -8.598 -0.384 1.00 0.00 C ATOM 574 C PRO A 33 65.586 -9.114 1.036 1.00 0.00 C ATOM 575 O PRO A 33 64.716 -9.708 1.646 1.00 0.00 O ATOM 576 CB PRO A 33 63.920 -8.071 -0.536 1.00 0.00 C ATOM 577 CG PRO A 33 63.096 -9.232 -1.129 1.00 0.00 C ATOM 578 CD PRO A 33 64.099 -10.151 -1.853 1.00 0.00 C ATOM 0 HA PRO A 33 66.093 -7.825 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 33 63.516 -7.758 0.427 1.00 0.00 H new ATOM 0 HB3 PRO A 33 63.894 -7.200 -1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 33 62.568 -9.774 -0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 33 62.341 -8.859 -1.821 1.00 0.00 H new ATOM 0 HD2 PRO A 33 63.913 -11.201 -1.627 1.00 0.00 H new ATOM 0 HD3 PRO A 33 64.031 -10.041 -2.935 1.00 0.00 H new ATOM 586 N SER A 34 66.758 -8.885 1.563 1.00 0.00 N ATOM 587 CA SER A 34 67.071 -9.349 2.943 1.00 0.00 C ATOM 588 C SER A 34 66.312 -8.495 3.937 1.00 0.00 C ATOM 589 O SER A 34 65.948 -7.377 3.641 1.00 0.00 O ATOM 590 CB SER A 34 68.575 -9.209 3.196 1.00 0.00 C ATOM 591 OG SER A 34 69.024 -10.309 3.979 1.00 0.00 O ATOM 0 H SER A 34 67.517 -8.393 1.092 1.00 0.00 H new ATOM 0 HA SER A 34 66.779 -10.393 3.057 1.00 0.00 H new ATOM 0 HB2 SER A 34 69.114 -9.178 2.249 1.00 0.00 H new ATOM 0 HB3 SER A 34 68.783 -8.272 3.712 1.00 0.00 H new ATOM 0 HG SER A 34 69.987 -10.224 4.141 1.00 0.00 H new ATOM 597 N LEU A 35 66.101 -8.993 5.133 1.00 0.00 N ATOM 598 CA LEU A 35 65.407 -8.169 6.169 1.00 0.00 C ATOM 599 C LEU A 35 66.228 -6.890 6.380 1.00 0.00 C ATOM 600 O LEU A 35 65.715 -5.859 6.775 1.00 0.00 O ATOM 601 CB LEU A 35 65.321 -8.955 7.480 1.00 0.00 C ATOM 602 CG LEU A 35 64.320 -10.109 7.318 1.00 0.00 C ATOM 603 CD1 LEU A 35 64.961 -11.419 7.786 1.00 0.00 C ATOM 604 CD2 LEU A 35 63.068 -9.833 8.158 1.00 0.00 C ATOM 0 H LEU A 35 66.378 -9.928 5.433 1.00 0.00 H new ATOM 0 HA LEU A 35 64.396 -7.921 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 35 66.303 -9.345 7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 35 65.007 -8.298 8.291 1.00 0.00 H new ATOM 0 HG LEU A 35 64.043 -10.192 6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 35 64.248 -12.235 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 35 65.848 -11.624 7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 35 65.244 -11.331 8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.362 -10.655 8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 35 63.347 -9.743 9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 35 62.604 -8.905 7.825 1.00 0.00 H new ATOM 616 N GLN A 36 67.504 -6.954 6.064 1.00 0.00 N ATOM 617 CA GLN A 36 68.370 -5.750 6.188 1.00 0.00 C ATOM 618 C GLN A 36 67.954 -4.787 5.086 1.00 0.00 C ATOM 619 O GLN A 36 67.804 -3.598 5.299 1.00 0.00 O ATOM 620 CB GLN A 36 69.837 -6.148 6.002 1.00 0.00 C ATOM 621 CG GLN A 36 70.507 -6.290 7.368 1.00 0.00 C ATOM 622 CD GLN A 36 70.031 -7.580 8.039 1.00 0.00 C ATOM 623 OE1 GLN A 36 68.844 -7.809 8.169 1.00 0.00 O ATOM 624 NE2 GLN A 36 70.911 -8.438 8.476 1.00 0.00 N ATOM 0 H GLN A 36 67.976 -7.793 5.726 1.00 0.00 H new ATOM 0 HA GLN A 36 68.262 -5.289 7.170 1.00 0.00 H new ATOM 0 HB2 GLN A 36 69.903 -7.088 5.454 1.00 0.00 H new ATOM 0 HB3 GLN A 36 70.356 -5.396 5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 36 71.591 -6.306 7.253 1.00 0.00 H new ATOM 0 HG3 GLN A 36 70.265 -5.431 7.994 1.00 0.00 H new ATOM 0 HE21 GLN A 36 71.907 -8.247 8.367 1.00 0.00 H new ATOM 0 HE22 GLN A 36 70.603 -9.300 8.926 1.00 0.00 H new ATOM 633 N GLN A 37 67.740 -5.313 3.907 1.00 0.00 N ATOM 634 CA GLN A 37 67.297 -4.464 2.773 1.00 0.00 C ATOM 635 C GLN A 37 65.907 -3.903 3.088 1.00 0.00 C ATOM 636 O GLN A 37 65.529 -2.867 2.579 1.00 0.00 O ATOM 637 CB GLN A 37 67.232 -5.301 1.494 1.00 0.00 C ATOM 638 CG GLN A 37 67.386 -4.387 0.268 1.00 0.00 C ATOM 639 CD GLN A 37 68.623 -4.799 -0.536 1.00 0.00 C ATOM 640 OE1 GLN A 37 69.729 -4.419 -0.207 1.00 0.00 O ATOM 641 NE2 GLN A 37 68.481 -5.566 -1.583 1.00 0.00 N ATOM 0 H GLN A 37 67.855 -6.302 3.685 1.00 0.00 H new ATOM 0 HA GLN A 37 68.004 -3.647 2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 37 68.021 -6.053 1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 37 66.283 -5.834 1.445 1.00 0.00 H new ATOM 0 HG2 GLN A 37 66.496 -4.451 -0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 37 67.478 -3.349 0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 37 67.552 -5.885 -1.859 1.00 0.00 H new ATOM 0 HE22 GLN A 37 69.299 -5.846 -2.125 1.00 0.00 H new ATOM 650 N ILE A 38 65.151 -4.565 3.943 1.00 0.00 N ATOM 651 CA ILE A 38 63.805 -4.039 4.301 1.00 0.00 C ATOM 652 C ILE A 38 64.012 -2.854 5.244 1.00 0.00 C ATOM 653 O ILE A 38 63.247 -1.914 5.241 1.00 0.00 O ATOM 654 CB ILE A 38 62.939 -5.148 4.948 1.00 0.00 C ATOM 655 CG1 ILE A 38 62.447 -6.105 3.848 1.00 0.00 C ATOM 656 CG2 ILE A 38 61.712 -4.543 5.662 1.00 0.00 C ATOM 657 CD1 ILE A 38 61.628 -5.333 2.799 1.00 0.00 C ATOM 0 H ILE A 38 65.413 -5.438 4.400 1.00 0.00 H new ATOM 0 HA ILE A 38 63.267 -3.710 3.412 1.00 0.00 H new ATOM 0 HB ILE A 38 63.547 -5.680 5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 38 63.298 -6.590 3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 38 61.837 -6.894 4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 38 61.120 -5.342 6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 38 62.046 -3.859 6.443 1.00 0.00 H new ATOM 0 HG23 ILE A 38 61.102 -3.999 4.940 1.00 0.00 H new ATOM 0 HD11 ILE A 38 61.286 -6.021 2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 38 60.766 -4.869 3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 38 62.251 -4.561 2.347 1.00 0.00 H new ATOM 669 N THR A 39 65.064 -2.883 6.023 1.00 0.00 N ATOM 670 CA THR A 39 65.356 -1.737 6.934 1.00 0.00 C ATOM 671 C THR A 39 65.690 -0.532 6.053 1.00 0.00 C ATOM 672 O THR A 39 65.260 0.578 6.302 1.00 0.00 O ATOM 673 CB THR A 39 66.552 -2.074 7.830 1.00 0.00 C ATOM 674 OG1 THR A 39 66.501 -3.448 8.190 1.00 0.00 O ATOM 675 CG2 THR A 39 66.506 -1.211 9.093 1.00 0.00 C ATOM 0 H THR A 39 65.733 -3.652 6.067 1.00 0.00 H new ATOM 0 HA THR A 39 64.500 -1.524 7.575 1.00 0.00 H new ATOM 0 HB THR A 39 67.478 -1.874 7.290 1.00 0.00 H new ATOM 0 HG1 THR A 39 67.267 -3.665 8.762 1.00 0.00 H new ATOM 0 HG21 THR A 39 67.357 -1.452 9.729 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.547 -0.158 8.816 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.581 -1.408 9.635 1.00 0.00 H new ATOM 683 N HIS A 40 66.430 -0.767 4.999 1.00 0.00 N ATOM 684 CA HIS A 40 66.781 0.333 4.050 1.00 0.00 C ATOM 685 C HIS A 40 65.543 0.701 3.228 1.00 0.00 C ATOM 686 O HIS A 40 65.440 1.798 2.714 1.00 0.00 O ATOM 687 CB HIS A 40 67.895 -0.133 3.111 1.00 0.00 C ATOM 688 CG HIS A 40 69.228 0.042 3.784 1.00 0.00 C ATOM 689 ND1 HIS A 40 69.649 1.262 4.291 1.00 0.00 N ATOM 690 CD2 HIS A 40 70.246 -0.842 4.041 1.00 0.00 C ATOM 691 CE1 HIS A 40 70.873 1.080 4.821 1.00 0.00 C ATOM 692 NE2 HIS A 40 71.284 -0.184 4.695 1.00 0.00 N ATOM 0 H HIS A 40 66.809 -1.682 4.753 1.00 0.00 H new ATOM 0 HA HIS A 40 67.124 1.203 4.611 1.00 0.00 H new ATOM 0 HB2 HIS A 40 67.746 -1.179 2.844 1.00 0.00 H new ATOM 0 HB3 HIS A 40 67.866 0.440 2.184 1.00 0.00 H new ATOM 0 HD2 HIS A 40 70.242 -1.889 3.776 1.00 0.00 H new ATOM 0 HE1 HIS A 40 71.452 1.861 5.291 1.00 0.00 H new ATOM 0 HE2 HIS A 40 72.169 -0.582 5.010 1.00 0.00 H new ATOM 700 N ILE A 41 64.594 -0.200 3.120 1.00 0.00 N ATOM 701 CA ILE A 41 63.351 0.102 2.363 1.00 0.00 C ATOM 702 C ILE A 41 62.580 1.153 3.174 1.00 0.00 C ATOM 703 O ILE A 41 62.076 2.111 2.645 1.00 0.00 O ATOM 704 CB ILE A 41 62.546 -1.223 2.183 1.00 0.00 C ATOM 705 CG1 ILE A 41 62.570 -1.657 0.703 1.00 0.00 C ATOM 706 CG2 ILE A 41 61.081 -1.099 2.631 1.00 0.00 C ATOM 707 CD1 ILE A 41 63.577 -2.794 0.510 1.00 0.00 C ATOM 0 H ILE A 41 64.634 -1.134 3.528 1.00 0.00 H new ATOM 0 HA ILE A 41 63.547 0.499 1.367 1.00 0.00 H new ATOM 0 HB ILE A 41 63.030 -1.966 2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 41 61.577 -1.983 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 41 62.838 -0.810 0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 41 60.573 -2.052 2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 41 61.045 -0.830 3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 41 60.585 -0.327 2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 41 63.589 -3.096 -0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 41 64.571 -2.453 0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 41 63.289 -3.644 1.129 1.00 0.00 H new ATOM 719 N ALA A 42 62.503 0.962 4.465 1.00 0.00 N ATOM 720 CA ALA A 42 61.772 1.923 5.340 1.00 0.00 C ATOM 721 C ALA A 42 62.431 3.290 5.253 1.00 0.00 C ATOM 722 O ALA A 42 61.789 4.275 4.942 1.00 0.00 O ATOM 723 CB ALA A 42 61.798 1.418 6.781 1.00 0.00 C ATOM 0 H ALA A 42 62.921 0.171 4.955 1.00 0.00 H new ATOM 0 HA ALA A 42 60.736 2.006 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 42 61.264 2.119 7.422 1.00 0.00 H new ATOM 0 HB2 ALA A 42 61.318 0.441 6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 42 62.831 1.333 7.118 1.00 0.00 H new ATOM 729 N ASN A 43 63.714 3.351 5.481 1.00 0.00 N ATOM 730 CA ASN A 43 64.428 4.650 5.357 1.00 0.00 C ATOM 731 C ASN A 43 64.348 5.107 3.890 1.00 0.00 C ATOM 732 O ASN A 43 64.556 6.264 3.578 1.00 0.00 O ATOM 733 CB ASN A 43 65.894 4.476 5.761 1.00 0.00 C ATOM 734 CG ASN A 43 66.005 4.458 7.287 1.00 0.00 C ATOM 735 OD1 ASN A 43 66.320 5.461 7.896 1.00 0.00 O ATOM 736 ND2 ASN A 43 65.758 3.352 7.935 1.00 0.00 N ATOM 0 H ASN A 43 64.297 2.558 5.747 1.00 0.00 H new ATOM 0 HA ASN A 43 63.970 5.393 6.010 1.00 0.00 H new ATOM 0 HB2 ASN A 43 66.289 3.549 5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 43 66.494 5.289 5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 43 65.829 3.330 8.952 1.00 0.00 H new ATOM 0 HD22 ASN A 43 65.493 2.510 7.424 1.00 0.00 H new ATOM 743 N GLN A 44 64.043 4.194 2.989 1.00 0.00 N ATOM 744 CA GLN A 44 63.943 4.547 1.550 1.00 0.00 C ATOM 745 C GLN A 44 62.654 5.340 1.293 1.00 0.00 C ATOM 746 O GLN A 44 62.619 6.198 0.431 1.00 0.00 O ATOM 747 CB GLN A 44 63.955 3.255 0.722 1.00 0.00 C ATOM 748 CG GLN A 44 65.323 3.052 0.064 1.00 0.00 C ATOM 749 CD GLN A 44 65.581 4.174 -0.943 1.00 0.00 C ATOM 750 OE1 GLN A 44 66.325 5.095 -0.668 1.00 0.00 O ATOM 751 NE2 GLN A 44 64.997 4.134 -2.109 1.00 0.00 N ATOM 0 H GLN A 44 63.859 3.214 3.202 1.00 0.00 H new ATOM 0 HA GLN A 44 64.789 5.170 1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 44 63.723 2.404 1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 44 63.180 3.299 -0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 44 66.105 3.044 0.823 1.00 0.00 H new ATOM 0 HG3 GLN A 44 65.356 2.085 -0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 44 64.373 3.361 -2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 44 65.165 4.875 -2.789 1.00 0.00 H new ATOM 760 N LEU A 45 61.598 5.076 2.036 1.00 0.00 N ATOM 761 CA LEU A 45 60.325 5.845 1.818 1.00 0.00 C ATOM 762 C LEU A 45 59.795 6.450 3.137 1.00 0.00 C ATOM 763 O LEU A 45 58.643 6.822 3.236 1.00 0.00 O ATOM 764 CB LEU A 45 59.270 4.951 1.128 1.00 0.00 C ATOM 765 CG LEU A 45 58.607 3.977 2.102 1.00 0.00 C ATOM 766 CD1 LEU A 45 57.365 3.371 1.443 1.00 0.00 C ATOM 767 CD2 LEU A 45 59.589 2.867 2.430 1.00 0.00 C ATOM 0 H LEU A 45 61.563 4.372 2.773 1.00 0.00 H new ATOM 0 HA LEU A 45 60.540 6.683 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 45 58.506 5.581 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 45 59.744 4.390 0.323 1.00 0.00 H new ATOM 0 HG LEU A 45 58.319 4.501 3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 45 56.889 2.676 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 45 56.664 4.166 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 45 57.656 2.840 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 45 59.127 2.166 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 45 59.865 2.343 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 45 60.482 3.294 2.886 1.00 0.00 H new ATOM 779 N GLY A 46 60.642 6.588 4.126 1.00 0.00 N ATOM 780 CA GLY A 46 60.231 7.213 5.429 1.00 0.00 C ATOM 781 C GLY A 46 58.890 6.676 5.964 1.00 0.00 C ATOM 782 O GLY A 46 58.170 7.392 6.636 1.00 0.00 O ATOM 0 H GLY A 46 61.617 6.290 4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 46 61.009 7.034 6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 46 60.157 8.293 5.299 1.00 0.00 H new ATOM 786 N LEU A 47 58.555 5.436 5.706 1.00 0.00 N ATOM 787 CA LEU A 47 57.259 4.889 6.248 1.00 0.00 C ATOM 788 C LEU A 47 57.538 4.062 7.513 1.00 0.00 C ATOM 789 O LEU A 47 58.669 3.910 7.934 1.00 0.00 O ATOM 790 CB LEU A 47 56.519 4.030 5.179 1.00 0.00 C ATOM 791 CG LEU A 47 56.860 2.528 5.271 1.00 0.00 C ATOM 792 CD1 LEU A 47 56.202 1.774 4.113 1.00 0.00 C ATOM 793 CD2 LEU A 47 58.367 2.322 5.218 1.00 0.00 C ATOM 0 H LEU A 47 59.109 4.782 5.153 1.00 0.00 H new ATOM 0 HA LEU A 47 56.608 5.725 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 47 55.443 4.161 5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 47 56.777 4.395 4.185 1.00 0.00 H new ATOM 0 HG LEU A 47 56.482 2.143 6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 47 56.446 0.714 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 47 55.121 1.901 4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 47 56.570 2.169 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 47 58.591 1.257 5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 47 58.755 2.717 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 47 58.835 2.844 6.053 1.00 0.00 H new ATOM 805 N GLU A 48 56.507 3.506 8.092 1.00 0.00 N ATOM 806 CA GLU A 48 56.683 2.658 9.298 1.00 0.00 C ATOM 807 C GLU A 48 56.885 1.213 8.839 1.00 0.00 C ATOM 808 O GLU A 48 56.292 0.770 7.877 1.00 0.00 O ATOM 809 CB GLU A 48 55.434 2.751 10.178 1.00 0.00 C ATOM 810 CG GLU A 48 55.831 2.586 11.646 1.00 0.00 C ATOM 811 CD GLU A 48 56.127 3.959 12.253 1.00 0.00 C ATOM 812 OE1 GLU A 48 56.901 4.692 11.661 1.00 0.00 O ATOM 813 OE2 GLU A 48 55.573 4.253 13.300 1.00 0.00 O ATOM 0 H GLU A 48 55.543 3.607 7.775 1.00 0.00 H new ATOM 0 HA GLU A 48 57.545 2.994 9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 48 54.942 3.712 10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 48 54.718 1.979 9.895 1.00 0.00 H new ATOM 0 HG2 GLU A 48 55.028 2.098 12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 48 56.708 1.944 11.726 1.00 0.00 H new ATOM 820 N LYS A 49 57.720 0.477 9.516 1.00 0.00 N ATOM 821 CA LYS A 49 57.978 -0.944 9.121 1.00 0.00 C ATOM 822 C LYS A 49 56.661 -1.735 9.041 1.00 0.00 C ATOM 823 O LYS A 49 56.591 -2.765 8.397 1.00 0.00 O ATOM 824 CB LYS A 49 58.895 -1.594 10.161 1.00 0.00 C ATOM 825 CG LYS A 49 59.793 -2.646 9.490 1.00 0.00 C ATOM 826 CD LYS A 49 59.402 -4.052 9.969 1.00 0.00 C ATOM 827 CE LYS A 49 60.662 -4.886 10.230 1.00 0.00 C ATOM 828 NZ LYS A 49 60.856 -5.056 11.700 1.00 0.00 N ATOM 0 H LYS A 49 58.241 0.797 10.333 1.00 0.00 H new ATOM 0 HA LYS A 49 58.451 -0.955 8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 49 59.510 -0.833 10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 49 58.297 -2.061 10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 49 59.695 -2.582 8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 49 60.838 -2.449 9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 49 58.807 -3.983 10.879 1.00 0.00 H new ATOM 0 HD3 LYS A 49 58.781 -4.541 9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 49 60.571 -5.860 9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 49 61.532 -4.396 9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 61.711 -5.622 11.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 60.962 -4.123 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 60.031 -5.542 12.105 1.00 0.00 H new ATOM 842 N ASP A 50 55.625 -1.271 9.700 1.00 0.00 N ATOM 843 CA ASP A 50 54.324 -2.005 9.673 1.00 0.00 C ATOM 844 C ASP A 50 53.613 -1.806 8.330 1.00 0.00 C ATOM 845 O ASP A 50 53.004 -2.729 7.813 1.00 0.00 O ATOM 846 CB ASP A 50 53.427 -1.496 10.803 1.00 0.00 C ATOM 847 CG ASP A 50 53.599 -2.390 12.033 1.00 0.00 C ATOM 848 OD1 ASP A 50 53.712 -3.592 11.856 1.00 0.00 O ATOM 849 OD2 ASP A 50 53.614 -1.858 13.130 1.00 0.00 O ATOM 0 H ASP A 50 55.627 -0.415 10.255 1.00 0.00 H new ATOM 0 HA ASP A 50 54.524 -3.068 9.806 1.00 0.00 H new ATOM 0 HB2 ASP A 50 53.684 -0.466 11.050 1.00 0.00 H new ATOM 0 HB3 ASP A 50 52.385 -1.496 10.483 1.00 0.00 H new ATOM 854 N VAL A 51 53.684 -0.630 7.749 1.00 0.00 N ATOM 855 CA VAL A 51 53.004 -0.423 6.437 1.00 0.00 C ATOM 856 C VAL A 51 53.895 -0.980 5.319 1.00 0.00 C ATOM 857 O VAL A 51 53.434 -1.241 4.225 1.00 0.00 O ATOM 858 CB VAL A 51 52.728 1.074 6.217 1.00 0.00 C ATOM 859 CG1 VAL A 51 54.046 1.854 6.179 1.00 0.00 C ATOM 860 CG2 VAL A 51 51.976 1.266 4.895 1.00 0.00 C ATOM 0 H VAL A 51 54.176 0.182 8.122 1.00 0.00 H new ATOM 0 HA VAL A 51 52.049 -0.948 6.429 1.00 0.00 H new ATOM 0 HB VAL A 51 52.120 1.449 7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 51 53.838 2.912 6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 51 54.573 1.723 7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 51 54.666 1.482 5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 51 51.780 2.327 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 51 52.581 0.884 4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 51 51.031 0.724 4.932 1.00 0.00 H new ATOM 870 N VAL A 52 55.168 -1.166 5.590 1.00 0.00 N ATOM 871 CA VAL A 52 56.081 -1.708 4.553 1.00 0.00 C ATOM 872 C VAL A 52 55.909 -3.234 4.474 1.00 0.00 C ATOM 873 O VAL A 52 56.025 -3.826 3.418 1.00 0.00 O ATOM 874 CB VAL A 52 57.537 -1.297 4.900 1.00 0.00 C ATOM 875 CG1 VAL A 52 58.287 -2.384 5.691 1.00 0.00 C ATOM 876 CG2 VAL A 52 58.282 -1.000 3.599 1.00 0.00 C ATOM 0 H VAL A 52 55.606 -0.963 6.488 1.00 0.00 H new ATOM 0 HA VAL A 52 55.843 -1.299 3.571 1.00 0.00 H new ATOM 0 HB VAL A 52 57.495 -0.414 5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 52 59.300 -2.044 5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 52 57.763 -2.580 6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 52 58.330 -3.299 5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 52 59.308 -0.709 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 52 58.287 -1.891 2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 52 57.783 -0.187 3.071 1.00 0.00 H new ATOM 886 N ARG A 53 55.637 -3.866 5.591 1.00 0.00 N ATOM 887 CA ARG A 53 55.459 -5.347 5.589 1.00 0.00 C ATOM 888 C ARG A 53 54.074 -5.687 5.044 1.00 0.00 C ATOM 889 O ARG A 53 53.898 -6.668 4.347 1.00 0.00 O ATOM 890 CB ARG A 53 55.596 -5.888 7.014 1.00 0.00 C ATOM 891 CG ARG A 53 56.006 -7.363 6.961 1.00 0.00 C ATOM 892 CD ARG A 53 54.757 -8.244 7.038 1.00 0.00 C ATOM 893 NE ARG A 53 54.126 -8.097 8.381 1.00 0.00 N ATOM 894 CZ ARG A 53 52.896 -8.491 8.571 1.00 0.00 C ATOM 895 NH1 ARG A 53 52.569 -9.737 8.359 1.00 0.00 N ATOM 896 NH2 ARG A 53 51.994 -7.640 8.974 1.00 0.00 N ATOM 0 H ARG A 53 55.531 -3.418 6.501 1.00 0.00 H new ATOM 0 HA ARG A 53 56.223 -5.803 4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 53 56.340 -5.312 7.564 1.00 0.00 H new ATOM 0 HB3 ARG A 53 54.652 -5.781 7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 53 56.551 -7.567 6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 53 56.678 -7.594 7.787 1.00 0.00 H new ATOM 0 HD2 ARG A 53 54.050 -7.959 6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 53 55.023 -9.286 6.862 1.00 0.00 H new ATOM 0 HE ARG A 53 54.655 -7.689 9.151 1.00 0.00 H new ATOM 0 HH11 ARG A 53 53.275 -10.403 8.045 1.00 0.00 H new ATOM 0 HH12 ARG A 53 51.608 -10.044 8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 53 52.250 -6.667 9.141 1.00 0.00 H new ATOM 0 HH22 ARG A 53 51.033 -7.948 9.122 1.00 0.00 H new ATOM 910 N VAL A 54 53.092 -4.877 5.351 1.00 0.00 N ATOM 911 CA VAL A 54 51.714 -5.141 4.844 1.00 0.00 C ATOM 912 C VAL A 54 51.662 -4.794 3.355 1.00 0.00 C ATOM 913 O VAL A 54 50.950 -5.412 2.586 1.00 0.00 O ATOM 914 CB VAL A 54 50.709 -4.274 5.608 1.00 0.00 C ATOM 915 CG1 VAL A 54 49.288 -4.651 5.184 1.00 0.00 C ATOM 916 CG2 VAL A 54 50.872 -4.502 7.117 1.00 0.00 C ATOM 0 H VAL A 54 53.187 -4.044 5.932 1.00 0.00 H new ATOM 0 HA VAL A 54 51.461 -6.191 4.990 1.00 0.00 H new ATOM 0 HB VAL A 54 50.891 -3.223 5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 54 48.571 -4.035 5.727 1.00 0.00 H new ATOM 0 HG12 VAL A 54 49.172 -4.485 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 54 49.108 -5.702 5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 54 50.156 -3.884 7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 54 50.692 -5.552 7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 54 51.884 -4.232 7.418 1.00 0.00 H new ATOM 926 N TRP A 55 52.423 -3.810 2.948 1.00 0.00 N ATOM 927 CA TRP A 55 52.446 -3.411 1.512 1.00 0.00 C ATOM 928 C TRP A 55 53.199 -4.484 0.719 1.00 0.00 C ATOM 929 O TRP A 55 52.864 -4.761 -0.419 1.00 0.00 O ATOM 930 CB TRP A 55 53.130 -2.034 1.387 1.00 0.00 C ATOM 931 CG TRP A 55 53.382 -1.679 -0.051 1.00 0.00 C ATOM 932 CD1 TRP A 55 52.590 -0.887 -0.823 1.00 0.00 C ATOM 933 CD2 TRP A 55 54.493 -2.094 -0.900 1.00 0.00 C ATOM 934 NE1 TRP A 55 53.159 -0.779 -2.071 1.00 0.00 N ATOM 935 CE2 TRP A 55 54.323 -1.518 -2.177 1.00 0.00 C ATOM 936 CE3 TRP A 55 55.623 -2.906 -0.687 1.00 0.00 C ATOM 937 CZ2 TRP A 55 55.239 -1.746 -3.207 1.00 0.00 C ATOM 938 CZ3 TRP A 55 56.545 -3.135 -1.717 1.00 0.00 C ATOM 939 CH2 TRP A 55 56.352 -2.561 -2.975 1.00 0.00 C ATOM 0 H TRP A 55 53.033 -3.263 3.555 1.00 0.00 H new ATOM 0 HA TRP A 55 51.436 -3.328 1.111 1.00 0.00 H new ATOM 0 HB2 TRP A 55 52.503 -1.271 1.848 1.00 0.00 H new ATOM 0 HB3 TRP A 55 54.074 -2.043 1.932 1.00 0.00 H new ATOM 0 HD1 TRP A 55 51.668 -0.421 -0.509 1.00 0.00 H new ATOM 0 HE1 TRP A 55 52.768 -0.220 -2.829 1.00 0.00 H new ATOM 0 HE3 TRP A 55 55.781 -3.358 0.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 55.089 -1.296 -4.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 57.409 -3.758 -1.537 1.00 0.00 H new ATOM 0 HH2 TRP A 55 57.061 -2.746 -3.768 1.00 0.00 H new ATOM 950 N PHE A 56 54.193 -5.105 1.310 1.00 0.00 N ATOM 951 CA PHE A 56 54.926 -6.171 0.570 1.00 0.00 C ATOM 952 C PHE A 56 54.260 -7.530 0.808 1.00 0.00 C ATOM 953 O PHE A 56 54.559 -8.491 0.125 1.00 0.00 O ATOM 954 CB PHE A 56 56.398 -6.235 0.987 1.00 0.00 C ATOM 955 CG PHE A 56 57.192 -6.895 -0.127 1.00 0.00 C ATOM 956 CD1 PHE A 56 57.084 -6.421 -1.444 1.00 0.00 C ATOM 957 CD2 PHE A 56 58.024 -7.987 0.151 1.00 0.00 C ATOM 958 CE1 PHE A 56 57.803 -7.031 -2.473 1.00 0.00 C ATOM 959 CE2 PHE A 56 58.744 -8.599 -0.884 1.00 0.00 C ATOM 960 CZ PHE A 56 58.632 -8.119 -2.196 1.00 0.00 C ATOM 0 H PHE A 56 54.521 -4.921 2.258 1.00 0.00 H new ATOM 0 HA PHE A 56 54.886 -5.926 -0.491 1.00 0.00 H new ATOM 0 HB2 PHE A 56 56.780 -5.233 1.180 1.00 0.00 H new ATOM 0 HB3 PHE A 56 56.504 -6.800 1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 56 56.442 -5.581 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 56 58.111 -8.357 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 56 57.718 -6.661 -3.484 1.00 0.00 H new ATOM 0 HE2 PHE A 56 59.386 -9.441 -0.670 1.00 0.00 H new ATOM 0 HZ PHE A 56 59.187 -8.591 -2.993 1.00 0.00 H new ATOM 970 N CYS A 57 53.341 -7.619 1.745 1.00 0.00 N ATOM 971 CA CYS A 57 52.644 -8.914 1.981 1.00 0.00 C ATOM 972 C CYS A 57 51.768 -9.183 0.762 1.00 0.00 C ATOM 973 O CYS A 57 51.662 -10.296 0.286 1.00 0.00 O ATOM 974 CB CYS A 57 51.775 -8.816 3.239 1.00 0.00 C ATOM 975 SG CYS A 57 52.643 -9.560 4.643 1.00 0.00 S ATOM 0 H CYS A 57 53.049 -6.851 2.350 1.00 0.00 H new ATOM 0 HA CYS A 57 53.362 -9.721 2.127 1.00 0.00 H new ATOM 0 HB2 CYS A 57 51.545 -7.772 3.453 1.00 0.00 H new ATOM 0 HB3 CYS A 57 50.825 -9.324 3.076 1.00 0.00 H new ATOM 0 HG CYS A 57 51.902 -9.472 5.707 1.00 0.00 H new ATOM 981 N ASN A 58 51.170 -8.146 0.237 1.00 0.00 N ATOM 982 CA ASN A 58 50.327 -8.295 -0.978 1.00 0.00 C ATOM 983 C ASN A 58 51.262 -8.439 -2.176 1.00 0.00 C ATOM 984 O ASN A 58 51.035 -9.239 -3.064 1.00 0.00 O ATOM 985 CB ASN A 58 49.454 -7.049 -1.151 1.00 0.00 C ATOM 986 CG ASN A 58 48.462 -7.271 -2.295 1.00 0.00 C ATOM 987 OD1 ASN A 58 48.788 -7.065 -3.447 1.00 0.00 O ATOM 988 ND2 ASN A 58 47.254 -7.683 -2.023 1.00 0.00 N ATOM 0 H ASN A 58 51.232 -7.196 0.603 1.00 0.00 H new ATOM 0 HA ASN A 58 49.679 -9.167 -0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 58 48.917 -6.838 -0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 58 50.079 -6.181 -1.362 1.00 0.00 H new ATOM 0 HD21 ASN A 58 46.584 -7.832 -2.778 1.00 0.00 H new ATOM 0 HD22 ASN A 58 46.980 -7.856 -1.056 1.00 0.00 H new ATOM 995 N ARG A 59 52.326 -7.671 -2.192 1.00 0.00 N ATOM 996 CA ARG A 59 53.303 -7.760 -3.320 1.00 0.00 C ATOM 997 C ARG A 59 53.961 -9.150 -3.318 1.00 0.00 C ATOM 998 O ARG A 59 54.541 -9.567 -4.303 1.00 0.00 O ATOM 999 CB ARG A 59 54.376 -6.668 -3.152 1.00 0.00 C ATOM 1000 CG ARG A 59 54.328 -5.697 -4.334 1.00 0.00 C ATOM 1001 CD ARG A 59 52.954 -5.014 -4.387 1.00 0.00 C ATOM 1002 NE ARG A 59 52.464 -4.986 -5.793 1.00 0.00 N ATOM 1003 CZ ARG A 59 51.573 -5.854 -6.188 1.00 0.00 C ATOM 1004 NH1 ARG A 59 50.533 -6.109 -5.442 1.00 0.00 N ATOM 1005 NH2 ARG A 59 51.723 -6.469 -7.329 1.00 0.00 N ATOM 0 H ARG A 59 52.559 -6.987 -1.472 1.00 0.00 H new ATOM 0 HA ARG A 59 52.787 -7.612 -4.268 1.00 0.00 H new ATOM 0 HB2 ARG A 59 54.212 -6.127 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 59 55.364 -7.125 -3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 59 55.114 -4.948 -4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 59 54.515 -6.232 -5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 59 52.246 -5.550 -3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 59 53.026 -3.999 -3.996 1.00 0.00 H new ATOM 0 HE ARG A 59 52.824 -4.290 -6.446 1.00 0.00 H new ATOM 0 HH11 ARG A 59 50.416 -5.630 -4.549 1.00 0.00 H new ATOM 0 HH12 ARG A 59 49.837 -6.788 -5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 59 52.536 -6.271 -7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 59 51.027 -7.147 -7.638 1.00 0.00 H new ATOM 1019 N ARG A 60 53.865 -9.875 -2.224 1.00 0.00 N ATOM 1020 CA ARG A 60 54.470 -11.236 -2.165 1.00 0.00 C ATOM 1021 C ARG A 60 53.473 -12.238 -2.750 1.00 0.00 C ATOM 1022 O ARG A 60 53.820 -13.074 -3.562 1.00 0.00 O ATOM 1023 CB ARG A 60 54.773 -11.597 -0.703 1.00 0.00 C ATOM 1024 CG ARG A 60 56.286 -11.594 -0.469 1.00 0.00 C ATOM 1025 CD ARG A 60 56.569 -11.434 1.026 1.00 0.00 C ATOM 1026 NE ARG A 60 56.399 -12.749 1.707 1.00 0.00 N ATOM 1027 CZ ARG A 60 57.446 -13.421 2.101 1.00 0.00 C ATOM 1028 NH1 ARG A 60 58.148 -13.000 3.118 1.00 0.00 N ATOM 1029 NH2 ARG A 60 57.790 -14.516 1.478 1.00 0.00 N ATOM 0 H ARG A 60 53.392 -9.576 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 60 55.398 -11.261 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 60 54.291 -10.882 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 60 54.362 -12.579 -0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 60 56.724 -12.522 -0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 60 56.750 -10.781 -1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 60 57.582 -11.062 1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 60 55.891 -10.698 1.459 1.00 0.00 H new ATOM 0 HE ARG A 60 55.464 -13.124 1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 60 57.878 -12.145 3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 60 58.966 -13.526 3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 60 57.241 -14.845 0.684 1.00 0.00 H new ATOM 0 HH22 ARG A 60 58.608 -15.042 1.785 1.00 0.00 H new ATOM 1043 N GLN A 61 52.233 -12.149 -2.341 1.00 0.00 N ATOM 1044 CA GLN A 61 51.194 -13.082 -2.867 1.00 0.00 C ATOM 1045 C GLN A 61 50.232 -12.308 -3.772 1.00 0.00 C ATOM 1046 O GLN A 61 49.052 -12.195 -3.496 1.00 0.00 O ATOM 1047 CB GLN A 61 50.430 -13.723 -1.697 1.00 0.00 C ATOM 1048 CG GLN A 61 49.709 -12.645 -0.873 1.00 0.00 C ATOM 1049 CD GLN A 61 49.879 -12.935 0.621 1.00 0.00 C ATOM 1050 OE1 GLN A 61 49.086 -13.793 1.200 1.00 0.00 O flip ATOM 1051 NE2 GLN A 61 50.742 -12.376 1.267 1.00 0.00 N flip ATOM 0 H GLN A 61 51.895 -11.467 -1.662 1.00 0.00 H new ATOM 0 HA GLN A 61 51.670 -13.873 -3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 61 49.706 -14.443 -2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 61 51.122 -14.274 -1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 61 50.114 -11.661 -1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 61 48.650 -12.625 -1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 61 51.363 -11.705 0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 61 50.846 -12.578 2.261 1.00 0.00 H new