USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 536 THR OG1 : rot -101:sc= 0.481 USER MOD Set 1.2: A 538 ASN : amide:sc= 0.379 K(o=0.86,f=-2.2) USER MOD Set 2.1: A 446 CYS SG : rot 11:sc= -0.776! USER MOD Set 2.2: A 494 GLN : amide:sc= 0.875 K(o=0.099,f=-5.1!) USER MOD Single : A 438 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 441 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 442 ASN : amide:sc= -2.61! C(o=-2.6!,f=-9.8!) USER MOD Single : A 454 TYR OH : rot 180:sc= -0.263 USER MOD Single : A 457 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 474 THR OG1 : rot 180:sc= 0 USER MOD Single : A 475 HIS : no HD1:sc=-0.00785 X(o=-0.0078,f=-0.36) USER MOD Single : A 478 HIS : no HE2:sc= 0.302 K(o=0.3,f=-1) USER MOD Single : A 479 MET CE :methyl 164:sc= 0 (180deg=-0.285) USER MOD Single : A 482 ASN : amide:sc= 0.447 K(o=0.45,f=-4.9!) USER MOD Single : A 483 HIS : no HD1:sc= -0.0924 X(o=-0.092,f=0) USER MOD Single : A 484 GLN : amide:sc= -1.5! C(o=-1.5!,f=-6.6!) USER MOD Single : A 488 SER OG : rot 180:sc= 0 USER MOD Single : A 495 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 496 LYS NZ :NH3+ 169:sc=-0.00751 (180deg=-0.105) USER MOD Single : A 497 SER OG : rot 180:sc= -0.237 USER MOD Single : A 503 MET CE :methyl 162:sc= -0.0735 (180deg=-0.492) USER MOD Single : A 506 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 507 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 508 CYS SG : rot 85:sc= 0.00848 USER MOD Single : A 509 HIS : no HE2:sc= -0.0555 X(o=-0.055,f=-0.23) USER MOD Single : A 510 LYS NZ :NH3+ -177:sc= 0.794 (180deg=0.781) USER MOD Single : A 511 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -0.927 K(o=-0.93,f=-0.039) USER MOD Single : A 513 MET CE :methyl 157:sc= -0.0141 (180deg=-0.578) USER MOD Single : A 514 LYS NZ :NH3+ 160:sc= 1.18 (180deg=0.167) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.072) USER MOD Single : A 523 CYS SG : rot -6:sc= 0.00822 USER MOD Single : A 524 SER OG : rot 180:sc= -0.532 USER MOD Single : A 528 MET CE :methyl 154:sc= -0.0169 (180deg=-0.638) USER MOD Single : A 529 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.1!) USER MOD Single : A 533 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 438 16.713 9.949 -6.438 1.00 0.00 N ATOM 2 CA MET A 438 15.683 10.881 -6.892 1.00 52.33 C ATOM 3 C MET A 438 14.420 10.614 -6.104 1.00 3.30 C ATOM 4 O MET A 438 14.181 9.474 -5.701 1.00 3.44 O ATOM 5 CB MET A 438 15.389 10.706 -8.391 1.00 62.32 C ATOM 6 CG MET A 438 16.596 10.871 -9.295 1.00 0.10 C ATOM 7 SD MET A 438 16.181 10.721 -11.044 1.00 35.24 S ATOM 8 CE MET A 438 17.816 10.798 -11.768 1.00 1.35 C ATOM 0 HA MET A 438 16.036 11.900 -6.735 1.00 52.33 H new ATOM 0 HB2 MET A 438 14.964 9.715 -8.551 1.00 62.32 H new ATOM 0 HB3 MET A 438 14.629 11.430 -8.686 1.00 62.32 H new ATOM 0 HG2 MET A 438 17.049 11.846 -9.115 1.00 0.10 H new ATOM 0 HG3 MET A 438 17.343 10.120 -9.037 1.00 0.10 H new ATOM 0 HE1 MET A 438 17.738 10.719 -12.852 1.00 1.35 H new ATOM 0 HE2 MET A 438 18.286 11.746 -11.506 1.00 1.35 H new ATOM 0 HE3 MET A 438 18.422 9.976 -11.387 1.00 1.35 H new ATOM 20 N PRO A 439 13.621 11.650 -5.822 1.00 63.24 N ATOM 21 CA PRO A 439 12.362 11.503 -5.087 1.00 3.12 C ATOM 22 C PRO A 439 11.341 10.623 -5.825 1.00 12.41 C ATOM 23 O PRO A 439 10.986 10.903 -6.986 1.00 61.53 O ATOM 24 CB PRO A 439 11.822 12.941 -5.008 1.00 44.11 C ATOM 25 CG PRO A 439 13.010 13.802 -5.203 1.00 25.44 C ATOM 26 CD PRO A 439 13.888 13.061 -6.157 1.00 62.52 C ATOM 0 HA PRO A 439 12.524 11.023 -4.122 1.00 3.12 H new ATOM 0 HB2 PRO A 439 11.070 13.124 -5.776 1.00 44.11 H new ATOM 0 HB3 PRO A 439 11.348 13.133 -4.046 1.00 44.11 H new ATOM 0 HG2 PRO A 439 12.728 14.775 -5.605 1.00 25.44 H new ATOM 0 HG3 PRO A 439 13.522 13.984 -4.258 1.00 25.44 H new ATOM 0 HD2 PRO A 439 13.637 13.285 -7.194 1.00 62.52 H new ATOM 0 HD3 PRO A 439 14.939 13.317 -6.021 1.00 62.52 H new ATOM 34 N PRO A 440 10.880 9.530 -5.202 1.00 5.24 N ATOM 35 CA PRO A 440 9.814 8.729 -5.749 1.00 52.43 C ATOM 36 C PRO A 440 8.493 9.421 -5.460 1.00 53.22 C ATOM 37 O PRO A 440 7.850 9.183 -4.426 1.00 51.21 O ATOM 38 CB PRO A 440 9.908 7.383 -4.998 1.00 33.25 C ATOM 39 CG PRO A 440 11.100 7.505 -4.093 1.00 63.02 C ATOM 40 CD PRO A 440 11.371 8.976 -3.936 1.00 23.25 C ATOM 0 HA PRO A 440 9.885 8.586 -6.827 1.00 52.43 H new ATOM 0 HB2 PRO A 440 9.000 7.190 -4.426 1.00 33.25 H new ATOM 0 HB3 PRO A 440 10.029 6.553 -5.695 1.00 33.25 H new ATOM 0 HG2 PRO A 440 10.902 7.042 -3.126 1.00 63.02 H new ATOM 0 HG3 PRO A 440 11.964 6.995 -4.519 1.00 63.02 H new ATOM 0 HD2 PRO A 440 10.844 9.396 -3.079 1.00 23.25 H new ATOM 0 HD3 PRO A 440 12.432 9.179 -3.789 1.00 23.25 H new ATOM 48 N THR A 441 8.164 10.361 -6.303 1.00 74.53 N ATOM 49 CA THR A 441 6.992 11.155 -6.160 1.00 3.35 C ATOM 50 C THR A 441 5.731 10.356 -6.407 1.00 60.31 C ATOM 51 O THR A 441 5.332 10.100 -7.554 1.00 43.25 O ATOM 52 CB THR A 441 7.073 12.393 -7.062 1.00 12.00 C ATOM 53 OG1 THR A 441 7.697 12.030 -8.317 1.00 40.52 O ATOM 54 CG2 THR A 441 7.876 13.488 -6.384 1.00 1.45 C ATOM 0 H THR A 441 8.721 10.595 -7.125 1.00 74.53 H new ATOM 0 HA THR A 441 6.940 11.494 -5.125 1.00 3.35 H new ATOM 0 HB THR A 441 6.066 12.766 -7.248 1.00 12.00 H new ATOM 0 HG1 THR A 441 7.749 12.818 -8.897 1.00 40.52 H new ATOM 0 HG21 THR A 441 7.925 14.360 -7.036 1.00 1.45 H new ATOM 0 HG22 THR A 441 7.396 13.763 -5.445 1.00 1.45 H new ATOM 0 HG23 THR A 441 8.885 13.128 -6.183 1.00 1.45 H new ATOM 62 N ASN A 442 5.136 9.925 -5.340 1.00 34.33 N ATOM 63 CA ASN A 442 3.934 9.163 -5.413 1.00 52.14 C ATOM 64 C ASN A 442 3.049 9.537 -4.271 1.00 62.11 C ATOM 65 O ASN A 442 3.496 10.168 -3.314 1.00 75.24 O ATOM 66 CB ASN A 442 4.183 7.632 -5.418 1.00 11.35 C ATOM 67 CG ASN A 442 4.598 6.999 -4.075 1.00 45.15 C ATOM 68 OD1 ASN A 442 4.184 5.887 -3.779 1.00 35.33 O ATOM 69 ND2 ASN A 442 5.452 7.635 -3.304 1.00 64.22 N ATOM 0 H ASN A 442 5.473 10.093 -4.392 1.00 34.33 H new ATOM 0 HA ASN A 442 3.454 9.399 -6.363 1.00 52.14 H new ATOM 0 HB2 ASN A 442 3.273 7.139 -5.761 1.00 11.35 H new ATOM 0 HB3 ASN A 442 4.959 7.415 -6.152 1.00 11.35 H new ATOM 0 HD21 ASN A 442 5.781 7.201 -2.441 1.00 64.22 H new ATOM 0 HD22 ASN A 442 5.786 8.562 -3.568 1.00 64.22 H new ATOM 76 N VAL A 443 1.820 9.175 -4.361 1.00 2.33 N ATOM 77 CA VAL A 443 0.879 9.474 -3.335 1.00 43.33 C ATOM 78 C VAL A 443 0.552 8.172 -2.634 1.00 63.24 C ATOM 79 O VAL A 443 0.695 7.089 -3.227 1.00 34.33 O ATOM 80 CB VAL A 443 -0.417 10.102 -3.938 1.00 4.14 C ATOM 81 CG1 VAL A 443 -1.368 10.601 -2.857 1.00 3.22 C ATOM 82 CG2 VAL A 443 -0.079 11.225 -4.905 1.00 52.43 C ATOM 0 H VAL A 443 1.433 8.660 -5.152 1.00 2.33 H new ATOM 0 HA VAL A 443 1.297 10.198 -2.636 1.00 43.33 H new ATOM 0 HB VAL A 443 -0.928 9.310 -4.486 1.00 4.14 H new ATOM 0 HG11 VAL A 443 -2.255 11.030 -3.323 1.00 3.22 H new ATOM 0 HG12 VAL A 443 -1.660 9.769 -2.217 1.00 3.22 H new ATOM 0 HG13 VAL A 443 -0.869 11.362 -2.257 1.00 3.22 H new ATOM 0 HG21 VAL A 443 -0.999 11.645 -5.311 1.00 52.43 H new ATOM 0 HG22 VAL A 443 0.474 12.003 -4.380 1.00 52.43 H new ATOM 0 HG23 VAL A 443 0.531 10.833 -5.719 1.00 52.43 H new ATOM 92 N ARG A 444 0.201 8.237 -1.381 1.00 2.15 N ATOM 93 CA ARG A 444 -0.226 7.057 -0.691 1.00 54.15 C ATOM 94 C ARG A 444 -1.718 6.980 -0.770 1.00 61.22 C ATOM 95 O ARG A 444 -2.436 7.330 0.146 1.00 33.21 O ATOM 96 CB ARG A 444 0.337 6.959 0.734 1.00 2.41 C ATOM 97 CG ARG A 444 1.856 6.868 0.741 1.00 70.12 C ATOM 98 CD ARG A 444 2.436 6.622 2.122 1.00 73.33 C ATOM 99 NE ARG A 444 3.903 6.438 2.064 1.00 40.21 N ATOM 100 CZ ARG A 444 4.672 5.954 3.059 1.00 53.35 C ATOM 101 NH1 ARG A 444 4.129 5.628 4.237 1.00 72.30 N ATOM 102 NH2 ARG A 444 5.983 5.796 2.866 1.00 53.44 N ATOM 0 H ARG A 444 0.202 9.089 -0.821 1.00 2.15 H new ATOM 0 HA ARG A 444 0.188 6.175 -1.181 1.00 54.15 H new ATOM 0 HB2 ARG A 444 0.023 7.830 1.309 1.00 2.41 H new ATOM 0 HB3 ARG A 444 -0.081 6.083 1.230 1.00 2.41 H new ATOM 0 HG2 ARG A 444 2.168 6.064 0.075 1.00 70.12 H new ATOM 0 HG3 ARG A 444 2.270 7.793 0.340 1.00 70.12 H new ATOM 0 HD2 ARG A 444 2.198 7.463 2.774 1.00 73.33 H new ATOM 0 HD3 ARG A 444 1.974 5.738 2.561 1.00 73.33 H new ATOM 0 HE ARG A 444 4.372 6.700 1.197 1.00 40.21 H new ATOM 0 HH11 ARG A 444 3.127 5.745 4.387 1.00 72.30 H new ATOM 0 HH12 ARG A 444 4.717 5.262 4.986 1.00 72.30 H new ATOM 0 HH21 ARG A 444 6.399 6.041 1.968 1.00 53.44 H new ATOM 0 HH22 ARG A 444 6.569 5.430 3.617 1.00 53.44 H new ATOM 116 N ASP A 445 -2.156 6.604 -1.940 1.00 14.21 N ATOM 117 CA ASP A 445 -3.566 6.616 -2.298 1.00 74.12 C ATOM 118 C ASP A 445 -4.036 5.260 -2.713 1.00 65.33 C ATOM 119 O ASP A 445 -5.162 5.097 -3.209 1.00 21.41 O ATOM 120 CB ASP A 445 -3.848 7.629 -3.433 1.00 63.31 C ATOM 121 CG ASP A 445 -3.017 7.429 -4.708 1.00 32.54 C ATOM 122 OD1 ASP A 445 -2.709 8.445 -5.383 1.00 3.14 O ATOM 123 OD2 ASP A 445 -2.633 6.292 -5.040 1.00 61.52 O ATOM 0 H ASP A 445 -1.545 6.275 -2.687 1.00 14.21 H new ATOM 0 HA ASP A 445 -4.116 6.920 -1.407 1.00 74.12 H new ATOM 0 HB2 ASP A 445 -4.905 7.573 -3.694 1.00 63.31 H new ATOM 0 HB3 ASP A 445 -3.667 8.635 -3.054 1.00 63.31 H new ATOM 128 N CYS A 446 -3.222 4.283 -2.492 1.00 55.25 N ATOM 129 CA CYS A 446 -3.560 2.988 -2.903 1.00 62.43 C ATOM 130 C CYS A 446 -3.962 2.210 -1.712 1.00 31.33 C ATOM 131 O CYS A 446 -3.426 2.384 -0.617 1.00 25.01 O ATOM 132 CB CYS A 446 -2.412 2.348 -3.608 1.00 42.12 C ATOM 133 SG CYS A 446 -1.714 3.405 -4.894 1.00 43.42 S ATOM 0 H CYS A 446 -2.318 4.370 -2.027 1.00 55.25 H new ATOM 0 HA CYS A 446 -4.391 3.022 -3.607 1.00 62.43 H new ATOM 0 HB2 CYS A 446 -1.636 2.103 -2.883 1.00 42.12 H new ATOM 0 HB3 CYS A 446 -2.741 1.409 -4.053 1.00 42.12 H new ATOM 0 HG CYS A 446 -2.209 4.602 -4.787 1.00 43.42 H new ATOM 139 N ILE A 447 -4.927 1.423 -1.887 1.00 32.35 N ATOM 140 CA ILE A 447 -5.454 0.667 -0.829 1.00 52.45 C ATOM 141 C ILE A 447 -5.396 -0.782 -1.227 1.00 24.32 C ATOM 142 O ILE A 447 -5.668 -1.114 -2.370 1.00 41.51 O ATOM 143 CB ILE A 447 -6.938 1.008 -0.597 1.00 60.15 C ATOM 144 CG1 ILE A 447 -7.253 2.444 -1.014 1.00 22.14 C ATOM 145 CG2 ILE A 447 -7.223 0.858 0.869 1.00 53.50 C ATOM 146 CD1 ILE A 447 -8.685 2.867 -0.746 1.00 23.31 C ATOM 0 H ILE A 447 -5.389 1.276 -2.784 1.00 32.35 H new ATOM 0 HA ILE A 447 -4.882 0.879 0.075 1.00 52.45 H new ATOM 0 HB ILE A 447 -7.553 0.337 -1.197 1.00 60.15 H new ATOM 0 HG12 ILE A 447 -6.581 3.120 -0.486 1.00 22.14 H new ATOM 0 HG13 ILE A 447 -7.046 2.556 -2.078 1.00 22.14 H new ATOM 0 HG21 ILE A 447 -8.269 1.094 1.062 1.00 53.50 H new ATOM 0 HG22 ILE A 447 -7.020 -0.168 1.176 1.00 53.50 H new ATOM 0 HG23 ILE A 447 -6.587 1.539 1.435 1.00 53.50 H new ATOM 0 HD11 ILE A 447 -8.827 3.898 -1.070 1.00 23.31 H new ATOM 0 HD12 ILE A 447 -9.365 2.217 -1.296 1.00 23.31 H new ATOM 0 HD13 ILE A 447 -8.893 2.790 0.321 1.00 23.31 H new ATOM 158 N ARG A 448 -5.044 -1.622 -0.330 1.00 70.34 N ATOM 159 CA ARG A 448 -5.055 -3.018 -0.590 1.00 21.12 C ATOM 160 C ARG A 448 -6.084 -3.664 0.276 1.00 54.32 C ATOM 161 O ARG A 448 -6.077 -3.507 1.501 1.00 4.42 O ATOM 162 CB ARG A 448 -3.696 -3.671 -0.390 1.00 23.14 C ATOM 163 CG ARG A 448 -3.722 -5.173 -0.655 1.00 64.33 C ATOM 164 CD ARG A 448 -2.348 -5.791 -0.592 1.00 30.42 C ATOM 165 NE ARG A 448 -1.688 -5.584 0.694 1.00 44.04 N ATOM 166 CZ ARG A 448 -0.695 -6.342 1.152 1.00 31.13 C ATOM 167 NH1 ARG A 448 -0.244 -7.364 0.419 1.00 33.32 N ATOM 168 NH2 ARG A 448 -0.138 -6.073 2.332 1.00 71.44 N ATOM 0 H ARG A 448 -4.739 -1.366 0.609 1.00 70.34 H new ATOM 0 HA ARG A 448 -5.304 -3.160 -1.642 1.00 21.12 H new ATOM 0 HB2 ARG A 448 -2.970 -3.201 -1.054 1.00 23.14 H new ATOM 0 HB3 ARG A 448 -3.358 -3.492 0.630 1.00 23.14 H new ATOM 0 HG2 ARG A 448 -4.369 -5.657 0.076 1.00 64.33 H new ATOM 0 HG3 ARG A 448 -4.156 -5.359 -1.637 1.00 64.33 H new ATOM 0 HD2 ARG A 448 -2.428 -6.861 -0.785 1.00 30.42 H new ATOM 0 HD3 ARG A 448 -1.729 -5.369 -1.384 1.00 30.42 H new ATOM 0 HE ARG A 448 -2.008 -4.811 1.277 1.00 44.04 H new ATOM 0 HH11 ARG A 448 -0.661 -7.562 -0.491 1.00 33.32 H new ATOM 0 HH12 ARG A 448 0.517 -7.946 0.769 1.00 33.32 H new ATOM 0 HH21 ARG A 448 -0.473 -5.285 2.886 1.00 71.44 H new ATOM 0 HH22 ARG A 448 0.623 -6.655 2.681 1.00 71.44 H new ATOM 182 N LEU A 449 -6.976 -4.346 -0.348 1.00 23.45 N ATOM 183 CA LEU A 449 -8.024 -5.017 0.344 1.00 0.41 C ATOM 184 C LEU A 449 -7.639 -6.468 0.392 1.00 71.33 C ATOM 185 O LEU A 449 -7.140 -6.994 -0.596 1.00 23.11 O ATOM 186 CB LEU A 449 -9.317 -4.923 -0.439 1.00 73.22 C ATOM 187 CG LEU A 449 -9.598 -3.630 -1.223 1.00 4.02 C ATOM 188 CD1 LEU A 449 -10.905 -3.758 -1.937 1.00 15.55 C ATOM 189 CD2 LEU A 449 -9.614 -2.403 -0.333 1.00 24.11 C ATOM 0 H LEU A 449 -7.002 -4.457 -1.362 1.00 23.45 H new ATOM 0 HA LEU A 449 -8.165 -4.577 1.331 1.00 0.41 H new ATOM 0 HB2 LEU A 449 -9.340 -5.753 -1.146 1.00 73.22 H new ATOM 0 HB3 LEU A 449 -10.141 -5.076 0.258 1.00 73.22 H new ATOM 0 HG LEU A 449 -8.787 -3.495 -1.938 1.00 4.02 H new ATOM 0 HD11 LEU A 449 -11.107 -2.843 -2.494 1.00 15.55 H new ATOM 0 HD12 LEU A 449 -10.861 -4.600 -2.627 1.00 15.55 H new ATOM 0 HD13 LEU A 449 -11.701 -3.924 -1.211 1.00 15.55 H new ATOM 0 HD21 LEU A 449 -9.817 -1.518 -0.937 1.00 24.11 H new ATOM 0 HD22 LEU A 449 -10.391 -2.512 0.423 1.00 24.11 H new ATOM 0 HD23 LEU A 449 -8.645 -2.295 0.155 1.00 24.11 H new ATOM 201 N ARG A 450 -7.840 -7.104 1.493 1.00 53.44 N ATOM 202 CA ARG A 450 -7.531 -8.504 1.603 1.00 31.22 C ATOM 203 C ARG A 450 -8.674 -9.236 2.230 1.00 11.40 C ATOM 204 O ARG A 450 -9.118 -8.902 3.316 1.00 2.21 O ATOM 205 CB ARG A 450 -6.274 -8.731 2.411 1.00 22.52 C ATOM 206 CG ARG A 450 -5.831 -10.183 2.468 1.00 60.51 C ATOM 207 CD ARG A 450 -4.632 -10.356 3.370 1.00 62.21 C ATOM 208 NE ARG A 450 -4.950 -10.087 4.781 1.00 60.23 N ATOM 209 CZ ARG A 450 -4.043 -9.980 5.758 1.00 3.34 C ATOM 210 NH1 ARG A 450 -2.743 -10.026 5.469 1.00 3.30 N ATOM 211 NH2 ARG A 450 -4.437 -9.820 7.018 1.00 31.11 N ATOM 0 H ARG A 450 -8.219 -6.682 2.341 1.00 53.44 H new ATOM 0 HA ARG A 450 -7.362 -8.887 0.597 1.00 31.22 H new ATOM 0 HB2 ARG A 450 -5.468 -8.132 1.986 1.00 22.52 H new ATOM 0 HB3 ARG A 450 -6.437 -8.371 3.427 1.00 22.52 H new ATOM 0 HG2 ARG A 450 -6.652 -10.802 2.829 1.00 60.51 H new ATOM 0 HG3 ARG A 450 -5.587 -10.531 1.464 1.00 60.51 H new ATOM 0 HD2 ARG A 450 -4.251 -11.373 3.273 1.00 62.21 H new ATOM 0 HD3 ARG A 450 -3.836 -9.686 3.045 1.00 62.21 H new ATOM 0 HE ARG A 450 -5.932 -9.974 5.032 1.00 60.23 H new ATOM 0 HH11 ARG A 450 -2.439 -10.143 4.502 1.00 3.30 H new ATOM 0 HH12 ARG A 450 -2.052 -9.944 6.214 1.00 3.30 H new ATOM 0 HH21 ARG A 450 -5.432 -9.779 7.240 1.00 31.11 H new ATOM 0 HH22 ARG A 450 -3.745 -9.739 7.762 1.00 31.11 H new ATOM 225 N GLY A 451 -9.122 -10.217 1.555 1.00 75.25 N ATOM 226 CA GLY A 451 -10.221 -10.998 2.019 1.00 32.13 C ATOM 227 C GLY A 451 -11.473 -10.662 1.274 1.00 71.13 C ATOM 228 O GLY A 451 -12.511 -10.457 1.862 1.00 70.41 O ATOM 0 H GLY A 451 -8.742 -10.513 0.656 1.00 75.25 H new ATOM 0 HA2 GLY A 451 -9.995 -12.057 1.898 1.00 32.13 H new ATOM 0 HA3 GLY A 451 -10.370 -10.824 3.085 1.00 32.13 H new ATOM 232 N LEU A 452 -11.364 -10.571 -0.026 1.00 54.23 N ATOM 233 CA LEU A 452 -12.499 -10.308 -0.860 1.00 74.04 C ATOM 234 C LEU A 452 -13.242 -11.596 -1.171 1.00 42.13 C ATOM 235 O LEU A 452 -12.610 -12.654 -1.356 1.00 41.11 O ATOM 236 CB LEU A 452 -12.085 -9.625 -2.163 1.00 33.13 C ATOM 237 CG LEU A 452 -11.477 -8.231 -2.038 1.00 65.51 C ATOM 238 CD1 LEU A 452 -11.086 -7.721 -3.403 1.00 13.15 C ATOM 239 CD2 LEU A 452 -12.457 -7.269 -1.378 1.00 53.51 C ATOM 0 H LEU A 452 -10.485 -10.678 -0.532 1.00 54.23 H new ATOM 0 HA LEU A 452 -13.160 -9.635 -0.313 1.00 74.04 H new ATOM 0 HB2 LEU A 452 -11.365 -10.267 -2.671 1.00 33.13 H new ATOM 0 HB3 LEU A 452 -12.962 -9.558 -2.807 1.00 33.13 H new ATOM 0 HG LEU A 452 -10.589 -8.294 -1.410 1.00 65.51 H new ATOM 0 HD11 LEU A 452 -10.652 -6.725 -3.309 1.00 13.15 H new ATOM 0 HD12 LEU A 452 -10.354 -8.395 -3.847 1.00 13.15 H new ATOM 0 HD13 LEU A 452 -11.969 -7.673 -4.040 1.00 13.15 H new ATOM 0 HD21 LEU A 452 -12.001 -6.282 -1.300 1.00 53.51 H new ATOM 0 HD22 LEU A 452 -13.364 -7.203 -1.980 1.00 53.51 H new ATOM 0 HD23 LEU A 452 -12.708 -7.632 -0.382 1.00 53.51 H new ATOM 251 N PRO A 453 -14.592 -11.543 -1.176 1.00 65.42 N ATOM 252 CA PRO A 453 -15.431 -12.676 -1.523 1.00 22.54 C ATOM 253 C PRO A 453 -15.093 -13.259 -2.870 1.00 33.22 C ATOM 254 O PRO A 453 -14.655 -12.555 -3.801 1.00 2.32 O ATOM 255 CB PRO A 453 -16.834 -12.110 -1.630 1.00 73.35 C ATOM 256 CG PRO A 453 -16.823 -10.808 -0.923 1.00 5.40 C ATOM 257 CD PRO A 453 -15.389 -10.375 -0.775 1.00 43.24 C ATOM 0 HA PRO A 453 -15.305 -13.462 -0.779 1.00 22.54 H new ATOM 0 HB2 PRO A 453 -17.121 -11.981 -2.674 1.00 73.35 H new ATOM 0 HB3 PRO A 453 -17.560 -12.788 -1.181 1.00 73.35 H new ATOM 0 HG2 PRO A 453 -17.390 -10.065 -1.483 1.00 5.40 H new ATOM 0 HG3 PRO A 453 -17.297 -10.900 0.054 1.00 5.40 H new ATOM 0 HD2 PRO A 453 -15.170 -9.513 -1.406 1.00 43.24 H new ATOM 0 HD3 PRO A 453 -15.170 -10.082 0.252 1.00 43.24 H new ATOM 265 N TYR A 454 -15.333 -14.519 -2.985 1.00 53.44 N ATOM 266 CA TYR A 454 -15.166 -15.210 -4.186 1.00 65.32 C ATOM 267 C TYR A 454 -16.275 -14.802 -5.089 1.00 13.20 C ATOM 268 O TYR A 454 -17.449 -15.134 -4.871 1.00 22.22 O ATOM 269 CB TYR A 454 -15.141 -16.724 -3.991 1.00 64.51 C ATOM 270 CG TYR A 454 -14.787 -17.497 -5.260 1.00 52.34 C ATOM 271 CD1 TYR A 454 -13.461 -17.748 -5.590 1.00 54.31 C ATOM 272 CD2 TYR A 454 -15.774 -17.962 -6.124 1.00 24.11 C ATOM 273 CE1 TYR A 454 -13.129 -18.441 -6.741 1.00 72.20 C ATOM 274 CE2 TYR A 454 -15.449 -18.655 -7.275 1.00 61.24 C ATOM 275 CZ TYR A 454 -14.128 -18.891 -7.579 1.00 2.51 C ATOM 276 OH TYR A 454 -13.796 -19.586 -8.730 1.00 54.20 O ATOM 0 H TYR A 454 -15.660 -15.102 -2.214 1.00 53.44 H new ATOM 0 HA TYR A 454 -14.199 -14.957 -4.620 1.00 65.32 H new ATOM 0 HB2 TYR A 454 -14.419 -16.970 -3.212 1.00 64.51 H new ATOM 0 HB3 TYR A 454 -16.118 -17.053 -3.636 1.00 64.51 H new ATOM 0 HD1 TYR A 454 -12.676 -17.396 -4.937 1.00 54.31 H new ATOM 0 HD2 TYR A 454 -16.812 -17.778 -5.891 1.00 24.11 H new ATOM 0 HE1 TYR A 454 -12.093 -18.629 -6.982 1.00 72.20 H new ATOM 0 HE2 TYR A 454 -16.229 -19.010 -7.933 1.00 61.24 H new ATOM 0 HH TYR A 454 -14.614 -19.834 -9.210 1.00 54.20 H new ATOM 286 N ALA A 455 -15.870 -13.974 -5.976 1.00 65.45 N ATOM 287 CA ALA A 455 -16.636 -13.419 -7.096 1.00 11.31 C ATOM 288 C ALA A 455 -17.308 -12.112 -6.744 1.00 35.31 C ATOM 289 O ALA A 455 -18.397 -11.792 -7.234 1.00 63.14 O ATOM 290 CB ALA A 455 -17.605 -14.427 -7.730 1.00 52.33 C ATOM 0 H ALA A 455 -14.914 -13.618 -5.962 1.00 65.45 H new ATOM 0 HA ALA A 455 -15.903 -13.193 -7.870 1.00 11.31 H new ATOM 0 HB1 ALA A 455 -18.139 -13.951 -8.552 1.00 52.33 H new ATOM 0 HB2 ALA A 455 -17.045 -15.282 -8.109 1.00 52.33 H new ATOM 0 HB3 ALA A 455 -18.320 -14.765 -6.980 1.00 52.33 H new ATOM 296 N ALA A 456 -16.650 -11.348 -5.896 1.00 3.32 N ATOM 297 CA ALA A 456 -17.055 -9.987 -5.659 1.00 13.24 C ATOM 298 C ALA A 456 -16.704 -9.189 -6.909 1.00 51.44 C ATOM 299 O ALA A 456 -15.522 -8.995 -7.213 1.00 60.23 O ATOM 300 CB ALA A 456 -16.340 -9.415 -4.446 1.00 73.20 C ATOM 0 H ALA A 456 -15.835 -11.650 -5.363 1.00 3.32 H new ATOM 0 HA ALA A 456 -18.125 -9.938 -5.456 1.00 13.24 H new ATOM 0 HB1 ALA A 456 -16.661 -8.386 -4.286 1.00 73.20 H new ATOM 0 HB2 ALA A 456 -16.582 -10.012 -3.566 1.00 73.20 H new ATOM 0 HB3 ALA A 456 -15.263 -9.437 -4.615 1.00 73.20 H new ATOM 306 N THR A 457 -17.705 -8.786 -7.650 1.00 72.33 N ATOM 307 CA THR A 457 -17.503 -8.095 -8.894 1.00 5.14 C ATOM 308 C THR A 457 -17.079 -6.661 -8.650 1.00 65.53 C ATOM 309 O THR A 457 -17.174 -6.156 -7.522 1.00 63.13 O ATOM 310 CB THR A 457 -18.797 -8.117 -9.729 1.00 12.34 C ATOM 311 OG1 THR A 457 -19.879 -7.587 -8.944 1.00 22.52 O ATOM 312 CG2 THR A 457 -19.134 -9.535 -10.170 1.00 12.23 C ATOM 0 H THR A 457 -18.685 -8.929 -7.405 1.00 72.33 H new ATOM 0 HA THR A 457 -16.711 -8.605 -9.442 1.00 5.14 H new ATOM 0 HB THR A 457 -18.648 -7.506 -10.619 1.00 12.34 H new ATOM 0 HG1 THR A 457 -20.703 -7.598 -9.474 1.00 22.52 H new ATOM 0 HG21 THR A 457 -20.052 -9.525 -10.758 1.00 12.23 H new ATOM 0 HG22 THR A 457 -18.319 -9.931 -10.776 1.00 12.23 H new ATOM 0 HG23 THR A 457 -19.273 -10.166 -9.292 1.00 12.23 H new ATOM 320 N ILE A 458 -16.624 -5.994 -9.691 1.00 25.15 N ATOM 321 CA ILE A 458 -16.246 -4.606 -9.579 1.00 64.33 C ATOM 322 C ILE A 458 -17.470 -3.744 -9.223 1.00 13.11 C ATOM 323 O ILE A 458 -17.369 -2.794 -8.472 1.00 74.44 O ATOM 324 CB ILE A 458 -15.487 -4.089 -10.844 1.00 10.30 C ATOM 325 CG1 ILE A 458 -14.136 -4.834 -10.955 1.00 70.11 C ATOM 326 CG2 ILE A 458 -15.272 -2.571 -10.784 1.00 41.40 C ATOM 327 CD1 ILE A 458 -13.271 -4.427 -12.131 1.00 24.41 C ATOM 0 H ILE A 458 -16.508 -6.393 -10.622 1.00 25.15 H new ATOM 0 HA ILE A 458 -15.532 -4.517 -8.760 1.00 64.33 H new ATOM 0 HB ILE A 458 -16.089 -4.291 -11.730 1.00 10.30 H new ATOM 0 HG12 ILE A 458 -13.573 -4.671 -10.036 1.00 70.11 H new ATOM 0 HG13 ILE A 458 -14.333 -5.904 -11.022 1.00 70.11 H new ATOM 0 HG21 ILE A 458 -14.742 -2.243 -11.678 1.00 41.40 H new ATOM 0 HG22 ILE A 458 -16.238 -2.069 -10.730 1.00 41.40 H new ATOM 0 HG23 ILE A 458 -14.684 -2.321 -9.901 1.00 41.40 H new ATOM 0 HD11 ILE A 458 -12.347 -5.005 -12.121 1.00 24.41 H new ATOM 0 HD12 ILE A 458 -13.808 -4.617 -13.060 1.00 24.41 H new ATOM 0 HD13 ILE A 458 -13.035 -3.365 -12.059 1.00 24.41 H new ATOM 339 N GLU A 459 -18.627 -4.148 -9.701 1.00 11.50 N ATOM 340 CA GLU A 459 -19.875 -3.467 -9.373 1.00 53.20 C ATOM 341 C GLU A 459 -20.157 -3.609 -7.884 1.00 35.11 C ATOM 342 O GLU A 459 -20.396 -2.623 -7.179 1.00 13.12 O ATOM 343 CB GLU A 459 -21.029 -4.088 -10.147 1.00 33.30 C ATOM 344 CG GLU A 459 -20.859 -4.104 -11.649 1.00 43.20 C ATOM 345 CD GLU A 459 -21.979 -4.848 -12.329 1.00 40.44 C ATOM 346 OE1 GLU A 459 -22.935 -4.207 -12.822 1.00 23.40 O ATOM 347 OE2 GLU A 459 -21.936 -6.090 -12.370 1.00 73.22 O ATOM 0 H GLU A 459 -18.736 -4.949 -10.323 1.00 11.50 H new ATOM 0 HA GLU A 459 -19.779 -2.414 -9.639 1.00 53.20 H new ATOM 0 HB2 GLU A 459 -21.168 -5.113 -9.802 1.00 33.30 H new ATOM 0 HB3 GLU A 459 -21.942 -3.544 -9.906 1.00 33.30 H new ATOM 0 HG2 GLU A 459 -20.823 -3.080 -12.022 1.00 43.20 H new ATOM 0 HG3 GLU A 459 -19.906 -4.569 -11.902 1.00 43.20 H new ATOM 354 N ASP A 460 -20.074 -4.836 -7.410 1.00 45.52 N ATOM 355 CA ASP A 460 -20.374 -5.153 -6.027 1.00 75.32 C ATOM 356 C ASP A 460 -19.346 -4.538 -5.081 1.00 74.14 C ATOM 357 O ASP A 460 -19.676 -4.138 -3.962 1.00 5.42 O ATOM 358 CB ASP A 460 -20.452 -6.666 -5.832 1.00 34.11 C ATOM 359 CG ASP A 460 -20.905 -7.056 -4.450 1.00 52.42 C ATOM 360 OD1 ASP A 460 -22.083 -6.829 -4.107 1.00 11.41 O ATOM 361 OD2 ASP A 460 -20.117 -7.652 -3.696 1.00 73.04 O ATOM 0 H ASP A 460 -19.797 -5.641 -7.972 1.00 45.52 H new ATOM 0 HA ASP A 460 -21.345 -4.721 -5.786 1.00 75.32 H new ATOM 0 HB2 ASP A 460 -21.139 -7.087 -6.566 1.00 34.11 H new ATOM 0 HB3 ASP A 460 -19.472 -7.103 -6.025 1.00 34.11 H new ATOM 366 N ILE A 461 -18.113 -4.427 -5.538 1.00 42.50 N ATOM 367 CA ILE A 461 -17.078 -3.833 -4.729 1.00 32.41 C ATOM 368 C ILE A 461 -17.244 -2.293 -4.705 1.00 75.13 C ATOM 369 O ILE A 461 -16.923 -1.643 -3.716 1.00 75.21 O ATOM 370 CB ILE A 461 -15.643 -4.271 -5.181 1.00 51.22 C ATOM 371 CG1 ILE A 461 -14.648 -4.090 -4.041 1.00 22.42 C ATOM 372 CG2 ILE A 461 -15.166 -3.474 -6.393 1.00 22.30 C ATOM 373 CD1 ILE A 461 -13.271 -4.619 -4.366 1.00 4.02 C ATOM 0 H ILE A 461 -17.810 -4.740 -6.460 1.00 42.50 H new ATOM 0 HA ILE A 461 -17.189 -4.203 -3.710 1.00 32.41 H new ATOM 0 HB ILE A 461 -15.700 -5.324 -5.459 1.00 51.22 H new ATOM 0 HG12 ILE A 461 -14.575 -3.031 -3.795 1.00 22.42 H new ATOM 0 HG13 ILE A 461 -15.025 -4.598 -3.153 1.00 22.42 H new ATOM 0 HG21 ILE A 461 -14.167 -3.806 -6.677 1.00 22.30 H new ATOM 0 HG22 ILE A 461 -15.851 -3.633 -7.226 1.00 22.30 H new ATOM 0 HG23 ILE A 461 -15.138 -2.413 -6.143 1.00 22.30 H new ATOM 0 HD11 ILE A 461 -12.610 -4.460 -3.514 1.00 4.02 H new ATOM 0 HD12 ILE A 461 -13.333 -5.685 -4.583 1.00 4.02 H new ATOM 0 HD13 ILE A 461 -12.875 -4.094 -5.235 1.00 4.02 H new ATOM 385 N LEU A 462 -17.784 -1.722 -5.796 1.00 45.34 N ATOM 386 CA LEU A 462 -18.083 -0.294 -5.843 1.00 44.12 C ATOM 387 C LEU A 462 -19.223 0.009 -4.893 1.00 73.44 C ATOM 388 O LEU A 462 -19.275 1.074 -4.268 1.00 30.22 O ATOM 389 CB LEU A 462 -18.426 0.178 -7.268 1.00 62.33 C ATOM 390 CG LEU A 462 -17.290 0.152 -8.301 1.00 52.20 C ATOM 391 CD1 LEU A 462 -17.801 0.582 -9.663 1.00 73.12 C ATOM 392 CD2 LEU A 462 -16.130 1.039 -7.868 1.00 71.45 C ATOM 0 H LEU A 462 -18.018 -2.230 -6.649 1.00 45.34 H new ATOM 0 HA LEU A 462 -17.191 0.252 -5.535 1.00 44.12 H new ATOM 0 HB2 LEU A 462 -19.240 -0.442 -7.644 1.00 62.33 H new ATOM 0 HB3 LEU A 462 -18.804 1.198 -7.206 1.00 62.33 H new ATOM 0 HG LEU A 462 -16.924 -0.873 -8.370 1.00 52.20 H new ATOM 0 HD11 LEU A 462 -16.983 0.558 -10.383 1.00 73.12 H new ATOM 0 HD12 LEU A 462 -18.590 -0.097 -9.987 1.00 73.12 H new ATOM 0 HD13 LEU A 462 -18.198 1.595 -9.599 1.00 73.12 H new ATOM 0 HD21 LEU A 462 -15.342 1.000 -8.620 1.00 71.45 H new ATOM 0 HD22 LEU A 462 -16.478 2.066 -7.761 1.00 71.45 H new ATOM 0 HD23 LEU A 462 -15.739 0.687 -6.913 1.00 71.45 H new ATOM 404 N ASP A 463 -20.139 -0.932 -4.798 1.00 42.12 N ATOM 405 CA ASP A 463 -21.232 -0.874 -3.829 1.00 14.25 C ATOM 406 C ASP A 463 -20.656 -0.829 -2.429 1.00 61.33 C ATOM 407 O ASP A 463 -20.972 0.053 -1.637 1.00 62.15 O ATOM 408 CB ASP A 463 -22.109 -2.111 -3.964 1.00 64.41 C ATOM 409 CG ASP A 463 -23.233 -2.162 -2.950 1.00 72.21 C ATOM 410 OD1 ASP A 463 -24.295 -1.513 -3.151 1.00 62.13 O ATOM 411 OD2 ASP A 463 -23.087 -2.853 -1.934 1.00 72.22 O ATOM 0 H ASP A 463 -20.153 -1.764 -5.388 1.00 42.12 H new ATOM 0 HA ASP A 463 -21.830 0.018 -4.016 1.00 14.25 H new ATOM 0 HB2 ASP A 463 -22.533 -2.140 -4.968 1.00 64.41 H new ATOM 0 HB3 ASP A 463 -21.489 -3.001 -3.854 1.00 64.41 H new ATOM 416 N PHE A 464 -19.778 -1.779 -2.175 1.00 64.21 N ATOM 417 CA PHE A 464 -19.051 -1.922 -0.895 1.00 31.23 C ATOM 418 C PHE A 464 -18.297 -0.641 -0.519 1.00 52.24 C ATOM 419 O PHE A 464 -18.251 -0.249 0.653 1.00 61.30 O ATOM 420 CB PHE A 464 -18.075 -3.114 -0.979 1.00 54.44 C ATOM 421 CG PHE A 464 -17.104 -3.234 0.173 1.00 41.42 C ATOM 422 CD1 PHE A 464 -17.511 -3.731 1.401 1.00 1.04 C ATOM 423 CD2 PHE A 464 -15.773 -2.853 0.014 1.00 63.33 C ATOM 424 CE1 PHE A 464 -16.616 -3.845 2.450 1.00 13.31 C ATOM 425 CE2 PHE A 464 -14.877 -2.964 1.059 1.00 51.14 C ATOM 426 CZ PHE A 464 -15.299 -3.462 2.278 1.00 12.41 C ATOM 0 H PHE A 464 -19.533 -2.497 -2.857 1.00 64.21 H new ATOM 0 HA PHE A 464 -19.786 -2.107 -0.112 1.00 31.23 H new ATOM 0 HB2 PHE A 464 -18.656 -4.034 -1.041 1.00 54.44 H new ATOM 0 HB3 PHE A 464 -17.506 -3.033 -1.905 1.00 54.44 H new ATOM 0 HD1 PHE A 464 -18.539 -4.033 1.541 1.00 1.04 H new ATOM 0 HD2 PHE A 464 -15.438 -2.467 -0.937 1.00 63.33 H new ATOM 0 HE1 PHE A 464 -16.946 -4.233 3.402 1.00 13.31 H new ATOM 0 HE2 PHE A 464 -13.849 -2.662 0.924 1.00 51.14 H new ATOM 0 HZ PHE A 464 -14.599 -3.552 3.096 1.00 12.41 H new ATOM 436 N LEU A 465 -17.699 -0.013 -1.508 1.00 44.42 N ATOM 437 CA LEU A 465 -16.970 1.224 -1.310 1.00 13.31 C ATOM 438 C LEU A 465 -17.883 2.357 -0.889 1.00 75.32 C ATOM 439 O LEU A 465 -17.468 3.259 -0.140 1.00 51.23 O ATOM 440 CB LEU A 465 -16.211 1.612 -2.569 1.00 63.13 C ATOM 441 CG LEU A 465 -15.009 0.742 -2.944 1.00 20.41 C ATOM 442 CD1 LEU A 465 -14.422 1.208 -4.260 1.00 61.11 C ATOM 443 CD2 LEU A 465 -13.945 0.787 -1.851 1.00 20.11 C ATOM 0 H LEU A 465 -17.704 -0.344 -2.473 1.00 44.42 H new ATOM 0 HA LEU A 465 -16.258 1.048 -0.504 1.00 13.31 H new ATOM 0 HB2 LEU A 465 -16.911 1.603 -3.404 1.00 63.13 H new ATOM 0 HB3 LEU A 465 -15.865 2.639 -2.454 1.00 63.13 H new ATOM 0 HG LEU A 465 -15.350 -0.288 -3.049 1.00 20.41 H new ATOM 0 HD11 LEU A 465 -13.567 0.583 -4.519 1.00 61.11 H new ATOM 0 HD12 LEU A 465 -15.177 1.132 -5.042 1.00 61.11 H new ATOM 0 HD13 LEU A 465 -14.099 2.245 -4.167 1.00 61.11 H new ATOM 0 HD21 LEU A 465 -13.100 0.161 -2.139 1.00 20.11 H new ATOM 0 HD22 LEU A 465 -13.606 1.814 -1.715 1.00 20.11 H new ATOM 0 HD23 LEU A 465 -14.368 0.418 -0.917 1.00 20.11 H new ATOM 455 N GLY A 466 -19.107 2.321 -1.362 1.00 50.31 N ATOM 456 CA GLY A 466 -20.048 3.331 -1.008 1.00 44.30 C ATOM 457 C GLY A 466 -19.741 4.620 -1.654 1.00 54.54 C ATOM 458 O GLY A 466 -19.527 4.708 -2.870 1.00 3.33 O ATOM 0 H GLY A 466 -19.464 1.601 -1.990 1.00 50.31 H new ATOM 0 HA2 GLY A 466 -21.049 3.011 -1.295 1.00 44.30 H new ATOM 0 HA3 GLY A 466 -20.053 3.459 0.074 1.00 44.30 H new ATOM 462 N GLU A 467 -19.701 5.603 -0.846 1.00 62.31 N ATOM 463 CA GLU A 467 -19.371 6.965 -1.240 1.00 43.43 C ATOM 464 C GLU A 467 -17.972 7.050 -1.878 1.00 54.34 C ATOM 465 O GLU A 467 -17.728 7.886 -2.757 1.00 53.24 O ATOM 466 CB GLU A 467 -19.462 7.910 -0.049 1.00 51.12 C ATOM 467 CG GLU A 467 -20.836 7.943 0.606 1.00 64.33 C ATOM 468 CD GLU A 467 -20.916 8.942 1.728 1.00 34.43 C ATOM 469 OE1 GLU A 467 -21.204 10.113 1.458 1.00 72.12 O ATOM 470 OE2 GLU A 467 -20.688 8.575 2.899 1.00 12.31 O ATOM 0 H GLU A 467 -19.900 5.508 0.150 1.00 62.31 H new ATOM 0 HA GLU A 467 -20.101 7.270 -1.989 1.00 43.43 H new ATOM 0 HB2 GLU A 467 -18.722 7.614 0.695 1.00 51.12 H new ATOM 0 HB3 GLU A 467 -19.201 8.917 -0.375 1.00 51.12 H new ATOM 0 HG2 GLU A 467 -21.587 8.185 -0.146 1.00 64.33 H new ATOM 0 HG3 GLU A 467 -21.076 6.951 0.989 1.00 64.33 H new ATOM 477 N PHE A 468 -17.081 6.143 -1.482 1.00 13.13 N ATOM 478 CA PHE A 468 -15.710 6.127 -1.986 1.00 65.23 C ATOM 479 C PHE A 468 -15.617 5.573 -3.408 1.00 65.43 C ATOM 480 O PHE A 468 -14.565 5.627 -4.031 1.00 65.44 O ATOM 481 CB PHE A 468 -14.773 5.350 -1.055 1.00 43.45 C ATOM 482 CG PHE A 468 -14.583 5.972 0.298 1.00 32.35 C ATOM 483 CD1 PHE A 468 -15.310 5.534 1.389 1.00 63.41 C ATOM 484 CD2 PHE A 468 -13.666 6.994 0.479 1.00 3.43 C ATOM 485 CE1 PHE A 468 -15.131 6.100 2.635 1.00 44.53 C ATOM 486 CE2 PHE A 468 -13.481 7.567 1.721 1.00 61.52 C ATOM 487 CZ PHE A 468 -14.215 7.119 2.801 1.00 11.15 C ATOM 0 H PHE A 468 -17.287 5.405 -0.809 1.00 13.13 H new ATOM 0 HA PHE A 468 -15.387 7.168 -2.013 1.00 65.23 H new ATOM 0 HB2 PHE A 468 -15.165 4.341 -0.925 1.00 43.45 H new ATOM 0 HB3 PHE A 468 -13.800 5.254 -1.537 1.00 43.45 H new ATOM 0 HD1 PHE A 468 -16.029 4.737 1.265 1.00 63.41 H new ATOM 0 HD2 PHE A 468 -13.088 7.347 -0.362 1.00 3.43 H new ATOM 0 HE1 PHE A 468 -15.706 5.746 3.478 1.00 44.53 H new ATOM 0 HE2 PHE A 468 -12.763 8.364 1.848 1.00 61.52 H new ATOM 0 HZ PHE A 468 -14.073 7.565 3.774 1.00 11.15 H new ATOM 497 N ALA A 469 -16.730 5.080 -3.939 1.00 43.00 N ATOM 498 CA ALA A 469 -16.762 4.531 -5.298 1.00 2.44 C ATOM 499 C ALA A 469 -16.574 5.622 -6.343 1.00 50.23 C ATOM 500 O ALA A 469 -16.297 5.349 -7.508 1.00 1.40 O ATOM 501 CB ALA A 469 -18.061 3.794 -5.551 1.00 53.33 C ATOM 0 H ALA A 469 -17.626 5.047 -3.452 1.00 43.00 H new ATOM 0 HA ALA A 469 -15.934 3.828 -5.384 1.00 2.44 H new ATOM 0 HB1 ALA A 469 -18.062 3.396 -6.566 1.00 53.33 H new ATOM 0 HB2 ALA A 469 -18.159 2.974 -4.839 1.00 53.33 H new ATOM 0 HB3 ALA A 469 -18.899 4.481 -5.431 1.00 53.33 H new ATOM 507 N THR A 470 -16.732 6.848 -5.930 1.00 13.53 N ATOM 508 CA THR A 470 -16.574 7.959 -6.808 1.00 64.12 C ATOM 509 C THR A 470 -15.151 8.565 -6.647 1.00 10.02 C ATOM 510 O THR A 470 -14.732 9.425 -7.416 1.00 64.01 O ATOM 511 CB THR A 470 -17.670 9.017 -6.511 1.00 54.34 C ATOM 512 OG1 THR A 470 -18.946 8.351 -6.448 1.00 40.33 O ATOM 513 CG2 THR A 470 -17.741 10.077 -7.608 1.00 64.10 C ATOM 0 H THR A 470 -16.975 7.099 -4.972 1.00 13.53 H new ATOM 0 HA THR A 470 -16.685 7.628 -7.841 1.00 64.12 H new ATOM 0 HB THR A 470 -17.424 9.506 -5.569 1.00 54.34 H new ATOM 0 HG1 THR A 470 -19.649 9.007 -6.259 1.00 40.33 H new ATOM 0 HG21 THR A 470 -18.520 10.800 -7.365 1.00 64.10 H new ATOM 0 HG22 THR A 470 -16.781 10.588 -7.683 1.00 64.10 H new ATOM 0 HG23 THR A 470 -17.973 9.600 -8.560 1.00 64.10 H new ATOM 521 N ASP A 471 -14.396 8.064 -5.672 1.00 14.42 N ATOM 522 CA ASP A 471 -13.080 8.615 -5.359 1.00 31.44 C ATOM 523 C ASP A 471 -11.962 7.805 -5.971 1.00 44.14 C ATOM 524 O ASP A 471 -10.781 8.182 -5.894 1.00 2.31 O ATOM 525 CB ASP A 471 -12.862 8.743 -3.848 1.00 44.43 C ATOM 526 CG ASP A 471 -13.801 9.719 -3.192 1.00 14.22 C ATOM 527 OD1 ASP A 471 -13.925 10.862 -3.677 1.00 13.01 O ATOM 528 OD2 ASP A 471 -14.395 9.392 -2.153 1.00 12.41 O ATOM 0 H ASP A 471 -14.673 7.277 -5.085 1.00 14.42 H new ATOM 0 HA ASP A 471 -13.058 9.612 -5.799 1.00 31.44 H new ATOM 0 HB2 ASP A 471 -12.986 7.764 -3.386 1.00 44.43 H new ATOM 0 HB3 ASP A 471 -11.835 9.056 -3.661 1.00 44.43 H new ATOM 533 N ILE A 472 -12.334 6.700 -6.568 1.00 11.41 N ATOM 534 CA ILE A 472 -11.416 5.787 -7.201 1.00 15.14 C ATOM 535 C ILE A 472 -10.821 6.433 -8.458 1.00 65.24 C ATOM 536 O ILE A 472 -11.471 7.277 -9.095 1.00 43.42 O ATOM 537 CB ILE A 472 -12.163 4.453 -7.563 1.00 54.53 C ATOM 538 CG1 ILE A 472 -11.208 3.411 -8.152 1.00 71.53 C ATOM 539 CG2 ILE A 472 -13.331 4.716 -8.520 1.00 13.02 C ATOM 540 CD1 ILE A 472 -11.864 2.082 -8.486 1.00 64.40 C ATOM 0 H ILE A 472 -13.308 6.404 -6.628 1.00 11.41 H new ATOM 0 HA ILE A 472 -10.602 5.556 -6.514 1.00 15.14 H new ATOM 0 HB ILE A 472 -12.565 4.047 -6.635 1.00 54.53 H new ATOM 0 HG12 ILE A 472 -10.757 3.818 -9.057 1.00 71.53 H new ATOM 0 HG13 ILE A 472 -10.398 3.236 -7.444 1.00 71.53 H new ATOM 0 HG21 ILE A 472 -13.829 3.775 -8.753 1.00 13.02 H new ATOM 0 HG22 ILE A 472 -14.041 5.396 -8.049 1.00 13.02 H new ATOM 0 HG23 ILE A 472 -12.954 5.164 -9.439 1.00 13.02 H new ATOM 0 HD11 ILE A 472 -11.119 1.402 -8.898 1.00 64.40 H new ATOM 0 HD12 ILE A 472 -12.290 1.649 -7.581 1.00 64.40 H new ATOM 0 HD13 ILE A 472 -12.655 2.241 -9.219 1.00 64.40 H new ATOM 552 N ARG A 473 -9.587 6.092 -8.792 1.00 52.31 N ATOM 553 CA ARG A 473 -9.000 6.598 -10.009 1.00 13.55 C ATOM 554 C ARG A 473 -9.623 5.935 -11.211 1.00 25.52 C ATOM 555 O ARG A 473 -10.406 4.979 -11.078 1.00 62.11 O ATOM 556 CB ARG A 473 -7.492 6.386 -10.089 1.00 35.12 C ATOM 557 CG ARG A 473 -6.640 7.188 -9.139 1.00 14.14 C ATOM 558 CD ARG A 473 -5.192 7.077 -9.563 1.00 34.54 C ATOM 559 NE ARG A 473 -4.229 7.588 -8.581 1.00 3.33 N ATOM 560 CZ ARG A 473 -2.909 7.738 -8.847 1.00 32.43 C ATOM 561 NH1 ARG A 473 -2.469 7.660 -10.103 1.00 51.22 N ATOM 562 NH2 ARG A 473 -2.046 7.974 -7.878 1.00 23.21 N ATOM 0 H ARG A 473 -8.986 5.477 -8.244 1.00 52.31 H new ATOM 0 HA ARG A 473 -9.195 7.670 -10.002 1.00 13.55 H new ATOM 0 HB2 ARG A 473 -7.288 5.329 -9.918 1.00 35.12 H new ATOM 0 HB3 ARG A 473 -7.171 6.612 -11.106 1.00 35.12 H new ATOM 0 HG2 ARG A 473 -6.954 8.232 -9.141 1.00 14.14 H new ATOM 0 HG3 ARG A 473 -6.763 6.820 -8.120 1.00 14.14 H new ATOM 0 HD2 ARG A 473 -4.965 6.030 -9.765 1.00 34.54 H new ATOM 0 HD3 ARG A 473 -5.058 7.618 -10.500 1.00 34.54 H new ATOM 0 HE ARG A 473 -4.570 7.842 -7.654 1.00 3.33 H new ATOM 0 HH11 ARG A 473 -3.126 7.487 -10.864 1.00 51.22 H new ATOM 0 HH12 ARG A 473 -1.475 7.773 -10.303 1.00 51.22 H new ATOM 0 HH21 ARG A 473 -2.369 8.046 -6.913 1.00 23.21 H new ATOM 0 HH22 ARG A 473 -1.055 8.085 -8.093 1.00 23.21 H new ATOM 576 N THR A 474 -9.256 6.421 -12.372 1.00 73.32 N ATOM 577 CA THR A 474 -9.695 5.854 -13.619 1.00 25.40 C ATOM 578 C THR A 474 -9.185 4.405 -13.717 1.00 25.42 C ATOM 579 O THR A 474 -7.983 4.165 -13.937 1.00 13.34 O ATOM 580 CB THR A 474 -9.164 6.702 -14.780 1.00 13.40 C ATOM 581 OG1 THR A 474 -9.517 8.079 -14.537 1.00 45.11 O ATOM 582 CG2 THR A 474 -9.767 6.251 -16.099 1.00 43.53 C ATOM 0 H THR A 474 -8.640 7.227 -12.476 1.00 73.32 H new ATOM 0 HA THR A 474 -10.784 5.847 -13.670 1.00 25.40 H new ATOM 0 HB THR A 474 -8.082 6.587 -14.843 1.00 13.40 H new ATOM 0 HG1 THR A 474 -9.183 8.637 -15.270 1.00 45.11 H new ATOM 0 HG21 THR A 474 -9.375 6.868 -16.908 1.00 43.53 H new ATOM 0 HG22 THR A 474 -9.508 5.208 -16.280 1.00 43.53 H new ATOM 0 HG23 THR A 474 -10.851 6.354 -16.057 1.00 43.53 H new ATOM 590 N HIS A 475 -10.106 3.467 -13.471 1.00 22.22 N ATOM 591 CA HIS A 475 -9.838 2.038 -13.381 1.00 23.13 C ATOM 592 C HIS A 475 -8.799 1.813 -12.281 1.00 23.43 C ATOM 593 O HIS A 475 -7.726 1.245 -12.494 1.00 25.15 O ATOM 594 CB HIS A 475 -9.399 1.415 -14.725 1.00 21.14 C ATOM 595 CG HIS A 475 -9.485 -0.092 -14.728 1.00 74.00 C ATOM 596 ND1 HIS A 475 -8.483 -0.932 -14.289 1.00 34.54 N ATOM 597 CD2 HIS A 475 -10.505 -0.895 -15.098 1.00 43.44 C ATOM 598 CE1 HIS A 475 -8.913 -2.184 -14.399 1.00 33.33 C ATOM 599 NE2 HIS A 475 -10.145 -2.222 -14.888 1.00 40.31 N ATOM 0 H HIS A 475 -11.089 3.695 -13.325 1.00 22.22 H new ATOM 0 HA HIS A 475 -10.766 1.525 -13.128 1.00 23.13 H new ATOM 0 HB2 HIS A 475 -10.024 1.811 -15.525 1.00 21.14 H new ATOM 0 HB3 HIS A 475 -8.374 1.716 -14.942 1.00 21.14 H new ATOM 0 HD2 HIS A 475 -11.452 -0.560 -15.495 1.00 43.44 H new ATOM 0 HE1 HIS A 475 -8.336 -3.055 -14.126 1.00 33.33 H new ATOM 0 HE2 HIS A 475 -10.710 -3.051 -15.072 1.00 40.31 H new ATOM 607 N GLY A 476 -9.098 2.352 -11.117 1.00 73.13 N ATOM 608 CA GLY A 476 -8.209 2.237 -9.986 1.00 74.44 C ATOM 609 C GLY A 476 -8.199 0.854 -9.365 1.00 42.31 C ATOM 610 O GLY A 476 -7.281 0.514 -8.618 1.00 42.33 O ATOM 0 H GLY A 476 -9.954 2.875 -10.932 1.00 73.13 H new ATOM 0 HA2 GLY A 476 -7.197 2.493 -10.301 1.00 74.44 H new ATOM 0 HA3 GLY A 476 -8.501 2.965 -9.229 1.00 74.44 H new ATOM 614 N VAL A 477 -9.193 0.062 -9.683 1.00 35.31 N ATOM 615 CA VAL A 477 -9.326 -1.263 -9.120 1.00 54.43 C ATOM 616 C VAL A 477 -8.494 -2.293 -9.903 1.00 72.01 C ATOM 617 O VAL A 477 -8.638 -2.454 -11.107 1.00 74.32 O ATOM 618 CB VAL A 477 -10.830 -1.689 -9.005 1.00 20.42 C ATOM 619 CG1 VAL A 477 -11.545 -1.622 -10.350 1.00 50.42 C ATOM 620 CG2 VAL A 477 -10.973 -3.075 -8.377 1.00 5.55 C ATOM 0 H VAL A 477 -9.933 0.315 -10.338 1.00 35.31 H new ATOM 0 HA VAL A 477 -8.925 -1.232 -8.107 1.00 54.43 H new ATOM 0 HB VAL A 477 -11.313 -0.970 -8.343 1.00 20.42 H new ATOM 0 HG11 VAL A 477 -12.584 -1.925 -10.225 1.00 50.42 H new ATOM 0 HG12 VAL A 477 -11.508 -0.602 -10.731 1.00 50.42 H new ATOM 0 HG13 VAL A 477 -11.054 -2.291 -11.057 1.00 50.42 H new ATOM 0 HG21 VAL A 477 -12.029 -3.338 -8.313 1.00 5.55 H new ATOM 0 HG22 VAL A 477 -10.453 -3.809 -8.993 1.00 5.55 H new ATOM 0 HG23 VAL A 477 -10.539 -3.068 -7.377 1.00 5.55 H new ATOM 630 N HIS A 478 -7.597 -2.932 -9.203 1.00 21.22 N ATOM 631 CA HIS A 478 -6.719 -3.945 -9.751 1.00 73.35 C ATOM 632 C HIS A 478 -6.741 -5.125 -8.807 1.00 55.55 C ATOM 633 O HIS A 478 -6.203 -5.046 -7.707 1.00 44.31 O ATOM 634 CB HIS A 478 -5.274 -3.408 -9.849 1.00 52.21 C ATOM 635 CG HIS A 478 -5.078 -2.245 -10.787 1.00 13.12 C ATOM 636 ND1 HIS A 478 -5.392 -0.932 -10.475 1.00 65.20 N ATOM 637 CD2 HIS A 478 -4.562 -2.214 -12.039 1.00 65.11 C ATOM 638 CE1 HIS A 478 -5.064 -0.173 -11.518 1.00 50.04 C ATOM 639 NE2 HIS A 478 -4.553 -0.897 -12.497 1.00 51.24 N ATOM 0 H HIS A 478 -7.448 -2.762 -8.208 1.00 21.22 H new ATOM 0 HA HIS A 478 -7.053 -4.228 -10.749 1.00 73.35 H new ATOM 0 HB2 HIS A 478 -4.948 -3.108 -8.853 1.00 52.21 H new ATOM 0 HB3 HIS A 478 -4.623 -4.222 -10.166 1.00 52.21 H new ATOM 0 HD1 HIS A 478 -5.802 -0.605 -9.600 1.00 65.20 H new ATOM 0 HD2 HIS A 478 -4.213 -3.072 -12.594 1.00 65.11 H new ATOM 0 HE1 HIS A 478 -5.199 0.898 -11.558 1.00 50.04 H new ATOM 647 N MET A 479 -7.383 -6.190 -9.188 1.00 34.44 N ATOM 648 CA MET A 479 -7.483 -7.339 -8.304 1.00 34.13 C ATOM 649 C MET A 479 -6.305 -8.251 -8.499 1.00 53.14 C ATOM 650 O MET A 479 -5.858 -8.464 -9.630 1.00 33.35 O ATOM 651 CB MET A 479 -8.799 -8.106 -8.503 1.00 55.24 C ATOM 652 CG MET A 479 -10.052 -7.288 -8.202 1.00 65.45 C ATOM 653 SD MET A 479 -11.574 -8.249 -8.345 1.00 74.43 S ATOM 654 CE MET A 479 -12.800 -6.997 -7.955 1.00 52.11 C ATOM 0 H MET A 479 -7.844 -6.298 -10.092 1.00 34.44 H new ATOM 0 HA MET A 479 -7.478 -6.966 -7.280 1.00 34.13 H new ATOM 0 HB2 MET A 479 -8.848 -8.459 -9.533 1.00 55.24 H new ATOM 0 HB3 MET A 479 -8.792 -8.988 -7.863 1.00 55.24 H new ATOM 0 HG2 MET A 479 -9.980 -6.881 -7.194 1.00 65.45 H new ATOM 0 HG3 MET A 479 -10.099 -6.440 -8.886 1.00 65.45 H new ATOM 0 HE1 MET A 479 -13.785 -7.341 -8.271 1.00 52.11 H new ATOM 0 HE2 MET A 479 -12.806 -6.816 -6.880 1.00 52.11 H new ATOM 0 HE3 MET A 479 -12.554 -6.072 -8.477 1.00 52.11 H new ATOM 664 N VAL A 480 -5.792 -8.776 -7.412 1.00 62.41 N ATOM 665 CA VAL A 480 -4.670 -9.662 -7.481 1.00 44.01 C ATOM 666 C VAL A 480 -5.175 -11.050 -7.783 1.00 25.11 C ATOM 667 O VAL A 480 -5.851 -11.700 -6.959 1.00 42.35 O ATOM 668 CB VAL A 480 -3.813 -9.656 -6.189 1.00 0.15 C ATOM 669 CG1 VAL A 480 -2.614 -10.587 -6.327 1.00 21.14 C ATOM 670 CG2 VAL A 480 -3.345 -8.244 -5.867 1.00 25.22 C ATOM 0 H VAL A 480 -6.140 -8.600 -6.469 1.00 62.41 H new ATOM 0 HA VAL A 480 -4.010 -9.315 -8.276 1.00 44.01 H new ATOM 0 HB VAL A 480 -4.436 -10.016 -5.370 1.00 0.15 H new ATOM 0 HG11 VAL A 480 -2.029 -10.565 -5.408 1.00 21.14 H new ATOM 0 HG12 VAL A 480 -2.962 -11.603 -6.512 1.00 21.14 H new ATOM 0 HG13 VAL A 480 -1.993 -10.259 -7.161 1.00 21.14 H new ATOM 0 HG21 VAL A 480 -2.745 -8.258 -4.957 1.00 25.22 H new ATOM 0 HG22 VAL A 480 -2.744 -7.863 -6.692 1.00 25.22 H new ATOM 0 HG23 VAL A 480 -4.211 -7.598 -5.720 1.00 25.22 H new ATOM 680 N LEU A 481 -4.934 -11.456 -8.983 1.00 62.42 N ATOM 681 CA LEU A 481 -5.344 -12.737 -9.437 1.00 64.10 C ATOM 682 C LEU A 481 -4.272 -13.750 -9.137 1.00 45.32 C ATOM 683 O LEU A 481 -3.082 -13.418 -9.023 1.00 30.41 O ATOM 684 CB LEU A 481 -5.630 -12.711 -10.941 1.00 24.04 C ATOM 685 CG LEU A 481 -6.652 -11.669 -11.417 1.00 20.40 C ATOM 686 CD1 LEU A 481 -6.823 -11.747 -12.921 1.00 74.24 C ATOM 687 CD2 LEU A 481 -7.991 -11.850 -10.714 1.00 75.43 C ATOM 0 H LEU A 481 -4.441 -10.900 -9.682 1.00 62.42 H new ATOM 0 HA LEU A 481 -6.260 -13.014 -8.916 1.00 64.10 H new ATOM 0 HB2 LEU A 481 -4.691 -12.535 -11.466 1.00 24.04 H new ATOM 0 HB3 LEU A 481 -5.982 -13.698 -11.240 1.00 24.04 H new ATOM 0 HG LEU A 481 -6.272 -10.680 -11.160 1.00 20.40 H new ATOM 0 HD11 LEU A 481 -7.551 -11.002 -13.244 1.00 74.24 H new ATOM 0 HD12 LEU A 481 -5.866 -11.554 -13.406 1.00 74.24 H new ATOM 0 HD13 LEU A 481 -7.175 -12.741 -13.196 1.00 74.24 H new ATOM 0 HD21 LEU A 481 -8.694 -11.098 -11.072 1.00 75.43 H new ATOM 0 HD22 LEU A 481 -8.383 -12.844 -10.928 1.00 75.43 H new ATOM 0 HD23 LEU A 481 -7.855 -11.738 -9.638 1.00 75.43 H new ATOM 699 N ASN A 482 -4.688 -14.959 -9.019 1.00 65.32 N ATOM 700 CA ASN A 482 -3.821 -16.066 -8.776 1.00 73.22 C ATOM 701 C ASN A 482 -3.491 -16.598 -10.139 1.00 60.32 C ATOM 702 O ASN A 482 -4.222 -16.301 -11.082 1.00 51.25 O ATOM 703 CB ASN A 482 -4.581 -17.106 -7.913 1.00 55.52 C ATOM 704 CG ASN A 482 -3.805 -18.372 -7.598 1.00 12.30 C ATOM 705 OD1 ASN A 482 -3.869 -19.347 -8.344 1.00 73.42 O ATOM 706 ND2 ASN A 482 -3.084 -18.384 -6.504 1.00 12.33 N ATOM 0 H ASN A 482 -5.672 -15.219 -9.090 1.00 65.32 H new ATOM 0 HA ASN A 482 -2.911 -15.807 -8.234 1.00 73.22 H new ATOM 0 HB2 ASN A 482 -4.872 -16.634 -6.975 1.00 55.52 H new ATOM 0 HB3 ASN A 482 -5.501 -17.381 -8.429 1.00 55.52 H new ATOM 0 HD21 ASN A 482 -2.555 -19.219 -6.251 1.00 12.33 H new ATOM 0 HD22 ASN A 482 -3.051 -17.559 -5.906 1.00 12.33 H new ATOM 713 N HIS A 483 -2.438 -17.361 -10.289 1.00 41.23 N ATOM 714 CA HIS A 483 -2.066 -17.864 -11.618 1.00 71.54 C ATOM 715 C HIS A 483 -3.128 -18.812 -12.193 1.00 74.24 C ATOM 716 O HIS A 483 -3.143 -19.092 -13.386 1.00 3.10 O ATOM 717 CB HIS A 483 -0.645 -18.467 -11.646 1.00 72.50 C ATOM 718 CG HIS A 483 0.456 -17.442 -11.453 1.00 75.54 C ATOM 719 ND1 HIS A 483 1.595 -17.373 -12.228 1.00 62.43 N ATOM 720 CD2 HIS A 483 0.570 -16.433 -10.551 1.00 73.43 C ATOM 721 CE1 HIS A 483 2.341 -16.359 -11.794 1.00 54.11 C ATOM 722 NE2 HIS A 483 1.761 -15.748 -10.773 1.00 61.13 N ATOM 0 H HIS A 483 -1.822 -17.653 -9.530 1.00 41.23 H new ATOM 0 HA HIS A 483 -2.034 -17.000 -12.282 1.00 71.54 H new ATOM 0 HB2 HIS A 483 -0.566 -19.224 -10.866 1.00 72.50 H new ATOM 0 HB3 HIS A 483 -0.494 -18.974 -12.599 1.00 72.50 H new ATOM 0 HD2 HIS A 483 -0.151 -16.199 -9.782 1.00 73.43 H new ATOM 0 HE1 HIS A 483 3.292 -16.073 -12.218 1.00 54.11 H new ATOM 0 HE2 HIS A 483 2.114 -14.942 -10.256 1.00 61.13 H new ATOM 730 N GLN A 484 -4.040 -19.263 -11.329 1.00 62.42 N ATOM 731 CA GLN A 484 -5.203 -20.051 -11.726 1.00 14.04 C ATOM 732 C GLN A 484 -6.213 -19.159 -12.477 1.00 13.12 C ATOM 733 O GLN A 484 -7.091 -19.648 -13.179 1.00 73.41 O ATOM 734 CB GLN A 484 -5.861 -20.665 -10.476 1.00 13.40 C ATOM 735 CG GLN A 484 -7.033 -21.595 -10.752 1.00 43.13 C ATOM 736 CD GLN A 484 -7.602 -22.205 -9.490 1.00 61.31 C ATOM 737 OE1 GLN A 484 -8.528 -21.667 -8.878 1.00 2.31 O ATOM 738 NE2 GLN A 484 -7.052 -23.310 -9.084 1.00 40.22 N ATOM 0 H GLN A 484 -3.989 -19.088 -10.325 1.00 62.42 H new ATOM 0 HA GLN A 484 -4.885 -20.853 -12.392 1.00 14.04 H new ATOM 0 HB2 GLN A 484 -5.103 -21.217 -9.920 1.00 13.40 H new ATOM 0 HB3 GLN A 484 -6.204 -19.856 -9.831 1.00 13.40 H new ATOM 0 HG2 GLN A 484 -7.817 -21.042 -11.269 1.00 43.13 H new ATOM 0 HG3 GLN A 484 -6.710 -22.391 -11.422 1.00 43.13 H new ATOM 0 HE21 GLN A 484 -6.288 -23.725 -9.617 1.00 40.22 H new ATOM 0 HE22 GLN A 484 -7.384 -23.762 -8.232 1.00 40.22 H new ATOM 747 N GLY A 485 -6.050 -17.856 -12.334 1.00 4.21 N ATOM 748 CA GLY A 485 -6.938 -16.908 -12.944 1.00 35.31 C ATOM 749 C GLY A 485 -8.159 -16.691 -12.107 1.00 12.20 C ATOM 750 O GLY A 485 -9.255 -16.477 -12.605 1.00 61.22 O ATOM 0 H GLY A 485 -5.296 -17.435 -11.791 1.00 4.21 H new ATOM 0 HA2 GLY A 485 -6.419 -15.960 -13.087 1.00 35.31 H new ATOM 0 HA3 GLY A 485 -7.230 -17.264 -13.932 1.00 35.31 H new ATOM 754 N ARG A 486 -7.969 -16.769 -10.833 1.00 44.34 N ATOM 755 CA ARG A 486 -9.023 -16.568 -9.876 1.00 44.33 C ATOM 756 C ARG A 486 -8.508 -15.554 -8.895 1.00 31.15 C ATOM 757 O ARG A 486 -7.298 -15.468 -8.730 1.00 54.24 O ATOM 758 CB ARG A 486 -9.314 -17.881 -9.145 1.00 24.44 C ATOM 759 CG ARG A 486 -9.811 -19.037 -10.016 1.00 33.24 C ATOM 760 CD ARG A 486 -11.258 -18.879 -10.479 1.00 63.53 C ATOM 761 NE ARG A 486 -11.461 -17.870 -11.528 1.00 32.33 N ATOM 762 CZ ARG A 486 -12.665 -17.498 -11.986 1.00 24.13 C ATOM 763 NH1 ARG A 486 -13.771 -17.901 -11.357 1.00 1.33 N ATOM 764 NH2 ARG A 486 -12.758 -16.714 -13.060 1.00 32.23 N ATOM 0 H ARG A 486 -7.063 -16.978 -10.412 1.00 44.34 H new ATOM 0 HA ARG A 486 -9.942 -16.234 -10.358 1.00 44.33 H new ATOM 0 HB2 ARG A 486 -8.404 -18.200 -8.637 1.00 24.44 H new ATOM 0 HB3 ARG A 486 -10.059 -17.687 -8.373 1.00 24.44 H new ATOM 0 HG2 ARG A 486 -9.166 -19.124 -10.891 1.00 33.24 H new ATOM 0 HG3 ARG A 486 -9.717 -19.968 -9.457 1.00 33.24 H new ATOM 0 HD2 ARG A 486 -11.615 -19.841 -10.846 1.00 63.53 H new ATOM 0 HD3 ARG A 486 -11.874 -18.618 -9.619 1.00 63.53 H new ATOM 0 HE ARG A 486 -10.636 -17.426 -11.932 1.00 32.33 H new ATOM 0 HH11 ARG A 486 -13.700 -18.492 -10.528 1.00 1.33 H new ATOM 0 HH12 ARG A 486 -14.687 -17.618 -11.705 1.00 1.33 H new ATOM 0 HH21 ARG A 486 -11.913 -16.396 -13.534 1.00 32.23 H new ATOM 0 HH22 ARG A 486 -13.674 -16.432 -13.408 1.00 32.23 H new ATOM 778 N PRO A 487 -9.366 -14.745 -8.275 1.00 33.21 N ATOM 779 CA PRO A 487 -8.920 -13.779 -7.274 1.00 51.25 C ATOM 780 C PRO A 487 -8.286 -14.478 -6.066 1.00 42.00 C ATOM 781 O PRO A 487 -8.892 -15.387 -5.464 1.00 71.14 O ATOM 782 CB PRO A 487 -10.205 -13.047 -6.856 1.00 33.35 C ATOM 783 CG PRO A 487 -11.329 -13.923 -7.313 1.00 42.34 C ATOM 784 CD PRO A 487 -10.821 -14.679 -8.503 1.00 33.11 C ATOM 0 HA PRO A 487 -8.157 -13.107 -7.667 1.00 51.25 H new ATOM 0 HB2 PRO A 487 -10.238 -12.897 -5.777 1.00 33.35 H new ATOM 0 HB3 PRO A 487 -10.263 -12.061 -7.317 1.00 33.35 H new ATOM 0 HG2 PRO A 487 -11.635 -14.606 -6.521 1.00 42.34 H new ATOM 0 HG3 PRO A 487 -12.203 -13.327 -7.576 1.00 42.34 H new ATOM 0 HD2 PRO A 487 -11.263 -15.674 -8.565 1.00 33.11 H new ATOM 0 HD3 PRO A 487 -11.058 -14.166 -9.435 1.00 33.11 H new ATOM 792 N SER A 488 -7.072 -14.070 -5.727 1.00 11.12 N ATOM 793 CA SER A 488 -6.351 -14.630 -4.597 1.00 2.11 C ATOM 794 C SER A 488 -7.038 -14.239 -3.285 1.00 53.12 C ATOM 795 O SER A 488 -6.931 -14.933 -2.264 1.00 12.44 O ATOM 796 CB SER A 488 -4.917 -14.112 -4.619 1.00 13.23 C ATOM 797 OG SER A 488 -4.311 -14.376 -5.876 1.00 63.13 O ATOM 0 H SER A 488 -6.561 -13.343 -6.227 1.00 11.12 H new ATOM 0 HA SER A 488 -6.346 -15.718 -4.668 1.00 2.11 H new ATOM 0 HB2 SER A 488 -4.909 -13.040 -4.423 1.00 13.23 H new ATOM 0 HB3 SER A 488 -4.341 -14.586 -3.824 1.00 13.23 H new ATOM 0 HG SER A 488 -3.392 -14.036 -5.874 1.00 63.13 H new ATOM 803 N GLY A 489 -7.758 -13.138 -3.332 1.00 44.33 N ATOM 804 CA GLY A 489 -8.465 -12.671 -2.181 1.00 52.42 C ATOM 805 C GLY A 489 -8.103 -11.254 -1.871 1.00 22.02 C ATOM 806 O GLY A 489 -8.825 -10.560 -1.169 1.00 34.04 O ATOM 0 H GLY A 489 -7.863 -12.555 -4.162 1.00 44.33 H new ATOM 0 HA2 GLY A 489 -9.539 -12.747 -2.353 1.00 52.42 H new ATOM 0 HA3 GLY A 489 -8.234 -13.305 -1.325 1.00 52.42 H new ATOM 810 N ASP A 490 -6.981 -10.827 -2.376 1.00 40.32 N ATOM 811 CA ASP A 490 -6.517 -9.487 -2.181 1.00 42.43 C ATOM 812 C ASP A 490 -6.564 -8.707 -3.482 1.00 43.04 C ATOM 813 O ASP A 490 -6.554 -9.290 -4.572 1.00 31.21 O ATOM 814 CB ASP A 490 -5.112 -9.478 -1.557 1.00 20.33 C ATOM 815 CG ASP A 490 -4.047 -10.171 -2.382 1.00 61.11 C ATOM 816 OD1 ASP A 490 -4.153 -11.402 -2.616 1.00 52.22 O ATOM 817 OD2 ASP A 490 -3.044 -9.532 -2.725 1.00 24.15 O ATOM 0 H ASP A 490 -6.358 -11.406 -2.939 1.00 40.32 H new ATOM 0 HA ASP A 490 -7.185 -8.989 -1.478 1.00 42.43 H new ATOM 0 HB2 ASP A 490 -4.809 -8.444 -1.393 1.00 20.33 H new ATOM 0 HB3 ASP A 490 -5.161 -9.955 -0.578 1.00 20.33 H new ATOM 822 N ALA A 491 -6.675 -7.409 -3.367 1.00 63.35 N ATOM 823 CA ALA A 491 -6.770 -6.516 -4.504 1.00 54.14 C ATOM 824 C ALA A 491 -6.294 -5.148 -4.102 1.00 54.33 C ATOM 825 O ALA A 491 -6.234 -4.841 -2.922 1.00 23.44 O ATOM 826 CB ALA A 491 -8.213 -6.416 -4.964 1.00 10.50 C ATOM 0 H ALA A 491 -6.703 -6.930 -2.467 1.00 63.35 H new ATOM 0 HA ALA A 491 -6.155 -6.905 -5.315 1.00 54.14 H new ATOM 0 HB1 ALA A 491 -8.277 -5.743 -5.819 1.00 10.50 H new ATOM 0 HB2 ALA A 491 -8.572 -7.404 -5.252 1.00 10.50 H new ATOM 0 HB3 ALA A 491 -8.828 -6.029 -4.151 1.00 10.50 H new ATOM 832 N PHE A 492 -5.968 -4.342 -5.059 1.00 61.43 N ATOM 833 CA PHE A 492 -5.557 -2.987 -4.819 1.00 74.20 C ATOM 834 C PHE A 492 -6.528 -2.044 -5.490 1.00 52.40 C ATOM 835 O PHE A 492 -6.963 -2.286 -6.612 1.00 2.52 O ATOM 836 CB PHE A 492 -4.173 -2.722 -5.397 1.00 74.21 C ATOM 837 CG PHE A 492 -3.010 -3.379 -4.714 1.00 50.03 C ATOM 838 CD1 PHE A 492 -2.318 -2.712 -3.719 1.00 62.53 C ATOM 839 CD2 PHE A 492 -2.585 -4.638 -5.093 1.00 34.02 C ATOM 840 CE1 PHE A 492 -1.223 -3.287 -3.112 1.00 41.15 C ATOM 841 CE2 PHE A 492 -1.493 -5.223 -4.486 1.00 34.32 C ATOM 842 CZ PHE A 492 -0.811 -4.546 -3.497 1.00 41.44 C ATOM 0 H PHE A 492 -5.978 -4.604 -6.045 1.00 61.43 H new ATOM 0 HA PHE A 492 -5.535 -2.829 -3.741 1.00 74.20 H new ATOM 0 HB2 PHE A 492 -4.176 -3.039 -6.440 1.00 74.21 H new ATOM 0 HB3 PHE A 492 -4.004 -1.645 -5.391 1.00 74.21 H new ATOM 0 HD1 PHE A 492 -2.640 -1.727 -3.414 1.00 62.53 H new ATOM 0 HD2 PHE A 492 -3.113 -5.169 -5.872 1.00 34.02 H new ATOM 0 HE1 PHE A 492 -0.690 -2.755 -2.338 1.00 41.15 H new ATOM 0 HE2 PHE A 492 -1.173 -6.210 -4.785 1.00 34.32 H new ATOM 0 HZ PHE A 492 0.046 -5.002 -3.024 1.00 41.44 H new ATOM 852 N ILE A 493 -6.879 -1.008 -4.815 1.00 24.44 N ATOM 853 CA ILE A 493 -7.689 0.028 -5.377 1.00 34.04 C ATOM 854 C ILE A 493 -6.951 1.318 -5.191 1.00 30.12 C ATOM 855 O ILE A 493 -6.537 1.649 -4.093 1.00 64.31 O ATOM 856 CB ILE A 493 -9.098 0.133 -4.738 1.00 64.14 C ATOM 857 CG1 ILE A 493 -9.870 -1.184 -4.900 1.00 21.10 C ATOM 858 CG2 ILE A 493 -9.883 1.296 -5.355 1.00 5.44 C ATOM 859 CD1 ILE A 493 -11.281 -1.146 -4.354 1.00 30.43 C ATOM 0 H ILE A 493 -6.611 -0.848 -3.844 1.00 24.44 H new ATOM 0 HA ILE A 493 -7.859 -0.203 -6.428 1.00 34.04 H new ATOM 0 HB ILE A 493 -8.975 0.326 -3.672 1.00 64.14 H new ATOM 0 HG12 ILE A 493 -9.909 -1.442 -5.958 1.00 21.10 H new ATOM 0 HG13 ILE A 493 -9.319 -1.979 -4.398 1.00 21.10 H new ATOM 0 HG21 ILE A 493 -10.869 1.354 -4.894 1.00 5.44 H new ATOM 0 HG22 ILE A 493 -9.346 2.229 -5.183 1.00 5.44 H new ATOM 0 HG23 ILE A 493 -9.992 1.133 -6.427 1.00 5.44 H new ATOM 0 HD11 ILE A 493 -11.757 -2.114 -4.508 1.00 30.43 H new ATOM 0 HD12 ILE A 493 -11.253 -0.921 -3.288 1.00 30.43 H new ATOM 0 HD13 ILE A 493 -11.851 -0.375 -4.873 1.00 30.43 H new ATOM 871 N GLN A 494 -6.748 1.993 -6.247 1.00 54.30 N ATOM 872 CA GLN A 494 -6.027 3.229 -6.233 1.00 32.14 C ATOM 873 C GLN A 494 -6.996 4.408 -6.329 1.00 71.14 C ATOM 874 O GLN A 494 -7.811 4.489 -7.267 1.00 61.45 O ATOM 875 CB GLN A 494 -4.992 3.211 -7.354 1.00 31.12 C ATOM 876 CG GLN A 494 -4.147 4.448 -7.460 1.00 31.03 C ATOM 877 CD GLN A 494 -3.015 4.276 -8.444 1.00 3.05 C ATOM 878 OE1 GLN A 494 -3.166 4.511 -9.645 1.00 70.24 O ATOM 879 NE2 GLN A 494 -1.879 3.896 -7.957 1.00 62.03 N ATOM 0 H GLN A 494 -7.077 1.712 -7.171 1.00 54.30 H new ATOM 0 HA GLN A 494 -5.491 3.351 -5.292 1.00 32.14 H new ATOM 0 HB2 GLN A 494 -4.336 2.353 -7.208 1.00 31.12 H new ATOM 0 HB3 GLN A 494 -5.508 3.060 -8.302 1.00 31.12 H new ATOM 0 HG2 GLN A 494 -4.770 5.288 -7.767 1.00 31.03 H new ATOM 0 HG3 GLN A 494 -3.741 4.695 -6.479 1.00 31.03 H new ATOM 0 HE21 GLN A 494 -1.789 3.710 -6.958 1.00 62.03 H new ATOM 0 HE22 GLN A 494 -1.073 3.782 -8.572 1.00 62.03 H new ATOM 888 N MET A 495 -6.923 5.281 -5.350 1.00 41.02 N ATOM 889 CA MET A 495 -7.808 6.433 -5.226 1.00 75.42 C ATOM 890 C MET A 495 -7.180 7.679 -5.795 1.00 12.14 C ATOM 891 O MET A 495 -5.993 7.700 -6.130 1.00 2.44 O ATOM 892 CB MET A 495 -8.171 6.673 -3.754 1.00 14.05 C ATOM 893 CG MET A 495 -9.034 5.586 -3.157 1.00 60.21 C ATOM 894 SD MET A 495 -10.606 5.462 -4.008 1.00 54.33 S ATOM 895 CE MET A 495 -11.352 4.064 -3.218 1.00 14.42 C ATOM 0 H MET A 495 -6.236 5.215 -4.599 1.00 41.02 H new ATOM 0 HA MET A 495 -8.711 6.212 -5.795 1.00 75.42 H new ATOM 0 HB2 MET A 495 -7.253 6.757 -3.172 1.00 14.05 H new ATOM 0 HB3 MET A 495 -8.692 7.627 -3.668 1.00 14.05 H new ATOM 0 HG2 MET A 495 -8.511 4.631 -3.214 1.00 60.21 H new ATOM 0 HG3 MET A 495 -9.205 5.794 -2.101 1.00 60.21 H new ATOM 0 HE1 MET A 495 -12.334 3.880 -3.655 1.00 14.42 H new ATOM 0 HE2 MET A 495 -10.722 3.186 -3.360 1.00 14.42 H new ATOM 0 HE3 MET A 495 -11.461 4.264 -2.152 1.00 14.42 H new ATOM 905 N LYS A 496 -7.987 8.712 -5.925 1.00 14.40 N ATOM 906 CA LYS A 496 -7.569 9.979 -6.413 1.00 45.33 C ATOM 907 C LYS A 496 -6.568 10.669 -5.485 1.00 14.24 C ATOM 908 O LYS A 496 -5.687 11.389 -5.958 1.00 54.22 O ATOM 909 CB LYS A 496 -8.788 10.858 -6.623 1.00 31.52 C ATOM 910 CG LYS A 496 -9.597 10.576 -7.891 1.00 1.32 C ATOM 911 CD LYS A 496 -8.790 10.865 -9.156 1.00 34.33 C ATOM 912 CE LYS A 496 -9.607 10.645 -10.429 1.00 64.32 C ATOM 913 NZ LYS A 496 -10.773 11.555 -10.528 1.00 42.43 N ATOM 0 H LYS A 496 -8.977 8.676 -5.683 1.00 14.40 H new ATOM 0 HA LYS A 496 -7.053 9.818 -7.359 1.00 45.33 H new ATOM 0 HB2 LYS A 496 -9.446 10.747 -5.761 1.00 31.52 H new ATOM 0 HB3 LYS A 496 -8.464 11.898 -6.644 1.00 31.52 H new ATOM 0 HG2 LYS A 496 -9.916 9.534 -7.894 1.00 1.32 H new ATOM 0 HG3 LYS A 496 -10.500 11.186 -7.889 1.00 1.32 H new ATOM 0 HD2 LYS A 496 -8.433 11.895 -9.129 1.00 34.33 H new ATOM 0 HD3 LYS A 496 -7.909 10.223 -9.177 1.00 34.33 H new ATOM 0 HE2 LYS A 496 -8.964 10.790 -11.297 1.00 64.32 H new ATOM 0 HE3 LYS A 496 -9.954 9.612 -10.458 1.00 64.32 H new ATOM 0 HZ1 LYS A 496 -11.180 11.495 -11.483 1.00 42.43 H new ATOM 0 HZ2 LYS A 496 -11.490 11.278 -9.828 1.00 42.43 H new ATOM 0 HZ3 LYS A 496 -10.468 12.532 -10.342 1.00 42.43 H new ATOM 927 N SER A 497 -6.689 10.450 -4.194 1.00 3.32 N ATOM 928 CA SER A 497 -5.820 11.090 -3.245 1.00 72.15 C ATOM 929 C SER A 497 -5.661 10.248 -1.978 1.00 53.04 C ATOM 930 O SER A 497 -6.481 9.344 -1.708 1.00 13.21 O ATOM 931 CB SER A 497 -6.362 12.475 -2.922 1.00 20.24 C ATOM 932 OG SER A 497 -7.715 12.393 -2.507 1.00 5.34 O ATOM 0 H SER A 497 -7.386 9.830 -3.781 1.00 3.32 H new ATOM 0 HA SER A 497 -4.828 11.189 -3.685 1.00 72.15 H new ATOM 0 HB2 SER A 497 -5.761 12.933 -2.136 1.00 20.24 H new ATOM 0 HB3 SER A 497 -6.283 13.117 -3.799 1.00 20.24 H new ATOM 0 HG SER A 497 -8.049 13.291 -2.301 1.00 5.34 H new ATOM 938 N ALA A 498 -4.635 10.578 -1.190 1.00 45.45 N ATOM 939 CA ALA A 498 -4.285 9.855 0.035 1.00 12.50 C ATOM 940 C ALA A 498 -5.396 9.927 1.055 1.00 0.15 C ATOM 941 O ALA A 498 -5.677 8.963 1.748 1.00 42.42 O ATOM 942 CB ALA A 498 -2.999 10.419 0.625 1.00 63.41 C ATOM 0 H ALA A 498 -4.016 11.365 -1.387 1.00 45.45 H new ATOM 0 HA ALA A 498 -4.135 8.807 -0.225 1.00 12.50 H new ATOM 0 HB1 ALA A 498 -2.747 9.875 1.535 1.00 63.41 H new ATOM 0 HB2 ALA A 498 -2.190 10.312 -0.097 1.00 63.41 H new ATOM 0 HB3 ALA A 498 -3.139 11.474 0.860 1.00 63.41 H new ATOM 948 N ASP A 499 -6.039 11.073 1.109 1.00 12.31 N ATOM 949 CA ASP A 499 -7.142 11.345 2.038 1.00 73.11 C ATOM 950 C ASP A 499 -8.228 10.325 1.925 1.00 14.13 C ATOM 951 O ASP A 499 -8.664 9.728 2.924 1.00 11.33 O ATOM 952 CB ASP A 499 -7.737 12.720 1.756 1.00 34.14 C ATOM 953 CG ASP A 499 -9.020 12.972 2.518 1.00 21.41 C ATOM 954 OD1 ASP A 499 -8.965 13.239 3.725 1.00 2.34 O ATOM 955 OD2 ASP A 499 -10.112 12.902 1.905 1.00 32.22 O ATOM 0 H ASP A 499 -5.815 11.863 0.503 1.00 12.31 H new ATOM 0 HA ASP A 499 -6.730 11.307 3.046 1.00 73.11 H new ATOM 0 HB2 ASP A 499 -7.008 13.487 2.018 1.00 34.14 H new ATOM 0 HB3 ASP A 499 -7.930 12.815 0.687 1.00 34.14 H new ATOM 960 N ARG A 500 -8.629 10.122 0.716 1.00 54.51 N ATOM 961 CA ARG A 500 -9.708 9.229 0.386 1.00 30.13 C ATOM 962 C ARG A 500 -9.328 7.815 0.746 1.00 75.14 C ATOM 963 O ARG A 500 -10.114 7.079 1.339 1.00 55.21 O ATOM 964 CB ARG A 500 -10.010 9.328 -1.102 1.00 51.05 C ATOM 965 CG ARG A 500 -10.304 10.746 -1.620 1.00 55.22 C ATOM 966 CD ARG A 500 -11.666 11.290 -1.201 1.00 74.20 C ATOM 967 NE ARG A 500 -11.845 11.495 0.242 1.00 31.30 N ATOM 968 CZ ARG A 500 -12.991 11.251 0.890 1.00 25.31 C ATOM 969 NH1 ARG A 500 -14.004 10.618 0.277 1.00 65.31 N ATOM 970 NH2 ARG A 500 -13.113 11.604 2.158 1.00 35.42 N ATOM 0 H ARG A 500 -8.212 10.579 -0.095 1.00 54.51 H new ATOM 0 HA ARG A 500 -10.598 9.508 0.951 1.00 30.13 H new ATOM 0 HB2 ARG A 500 -9.162 8.925 -1.656 1.00 51.05 H new ATOM 0 HB3 ARG A 500 -10.867 8.693 -1.325 1.00 51.05 H new ATOM 0 HG2 ARG A 500 -9.528 11.421 -1.260 1.00 55.22 H new ATOM 0 HG3 ARG A 500 -10.244 10.744 -2.708 1.00 55.22 H new ATOM 0 HD2 ARG A 500 -11.831 12.240 -1.709 1.00 74.20 H new ATOM 0 HD3 ARG A 500 -12.436 10.603 -1.552 1.00 74.20 H new ATOM 0 HE ARG A 500 -11.052 11.843 0.781 1.00 31.30 H new ATOM 0 HH11 ARG A 500 -13.905 10.317 -0.693 1.00 65.31 H new ATOM 0 HH12 ARG A 500 -14.872 10.438 0.781 1.00 65.31 H new ATOM 0 HH21 ARG A 500 -12.337 12.060 2.638 1.00 35.42 H new ATOM 0 HH22 ARG A 500 -13.984 11.421 2.657 1.00 35.42 H new ATOM 984 N ALA A 501 -8.101 7.476 0.440 1.00 4.03 N ATOM 985 CA ALA A 501 -7.583 6.158 0.703 1.00 70.04 C ATOM 986 C ALA A 501 -7.504 5.903 2.188 1.00 30.15 C ATOM 987 O ALA A 501 -7.892 4.842 2.662 1.00 23.51 O ATOM 988 CB ALA A 501 -6.226 5.980 0.059 1.00 10.23 C ATOM 0 H ALA A 501 -7.432 8.108 0.000 1.00 4.03 H new ATOM 0 HA ALA A 501 -8.267 5.430 0.267 1.00 70.04 H new ATOM 0 HB1 ALA A 501 -5.852 4.978 0.269 1.00 10.23 H new ATOM 0 HB2 ALA A 501 -6.314 6.115 -1.019 1.00 10.23 H new ATOM 0 HB3 ALA A 501 -5.532 6.718 0.462 1.00 10.23 H new ATOM 994 N PHE A 502 -7.058 6.901 2.917 1.00 41.42 N ATOM 995 CA PHE A 502 -6.885 6.799 4.345 1.00 13.35 C ATOM 996 C PHE A 502 -8.222 6.594 5.040 1.00 54.32 C ATOM 997 O PHE A 502 -8.342 5.750 5.930 1.00 41.32 O ATOM 998 CB PHE A 502 -6.156 8.044 4.879 1.00 5.24 C ATOM 999 CG PHE A 502 -5.852 8.026 6.352 1.00 33.42 C ATOM 1000 CD1 PHE A 502 -4.743 7.348 6.832 1.00 13.24 C ATOM 1001 CD2 PHE A 502 -6.662 8.701 7.254 1.00 11.35 C ATOM 1002 CE1 PHE A 502 -4.449 7.344 8.181 1.00 22.21 C ATOM 1003 CE2 PHE A 502 -6.376 8.698 8.602 1.00 11.31 C ATOM 1004 CZ PHE A 502 -5.269 8.020 9.066 1.00 14.34 C ATOM 0 H PHE A 502 -6.804 7.811 2.532 1.00 41.42 H new ATOM 0 HA PHE A 502 -6.270 5.926 4.563 1.00 13.35 H new ATOM 0 HB2 PHE A 502 -5.220 8.159 4.333 1.00 5.24 H new ATOM 0 HB3 PHE A 502 -6.763 8.922 4.660 1.00 5.24 H new ATOM 0 HD1 PHE A 502 -4.102 6.817 6.144 1.00 13.24 H new ATOM 0 HD2 PHE A 502 -7.529 9.236 6.895 1.00 11.35 H new ATOM 0 HE1 PHE A 502 -3.581 6.814 8.544 1.00 22.21 H new ATOM 0 HE2 PHE A 502 -7.017 9.225 9.293 1.00 11.31 H new ATOM 0 HZ PHE A 502 -5.042 8.017 10.122 1.00 14.34 H new ATOM 1014 N MET A 503 -9.245 7.312 4.598 1.00 32.32 N ATOM 1015 CA MET A 503 -10.537 7.188 5.240 1.00 51.12 C ATOM 1016 C MET A 503 -11.199 5.885 4.867 1.00 62.51 C ATOM 1017 O MET A 503 -11.873 5.260 5.692 1.00 31.03 O ATOM 1018 CB MET A 503 -11.448 8.372 4.943 1.00 63.43 C ATOM 1019 CG MET A 503 -10.932 9.682 5.492 1.00 21.23 C ATOM 1020 SD MET A 503 -11.994 11.087 5.106 1.00 53.02 S ATOM 1021 CE MET A 503 -13.496 10.630 5.972 1.00 51.41 C ATOM 0 H MET A 503 -9.205 7.969 3.818 1.00 32.32 H new ATOM 0 HA MET A 503 -10.361 7.189 6.316 1.00 51.12 H new ATOM 0 HB2 MET A 503 -11.572 8.463 3.864 1.00 63.43 H new ATOM 0 HB3 MET A 503 -12.435 8.175 5.362 1.00 63.43 H new ATOM 0 HG2 MET A 503 -10.830 9.599 6.574 1.00 21.23 H new ATOM 0 HG3 MET A 503 -9.936 9.868 5.091 1.00 21.23 H new ATOM 0 HE1 MET A 503 -14.123 11.512 6.102 1.00 51.41 H new ATOM 0 HE2 MET A 503 -14.037 9.882 5.392 1.00 51.41 H new ATOM 0 HE3 MET A 503 -13.242 10.218 6.949 1.00 51.41 H new ATOM 1031 N ALA A 504 -10.978 5.447 3.638 1.00 51.35 N ATOM 1032 CA ALA A 504 -11.543 4.203 3.182 1.00 71.33 C ATOM 1033 C ALA A 504 -10.889 3.041 3.899 1.00 35.32 C ATOM 1034 O ALA A 504 -11.569 2.104 4.320 1.00 43.41 O ATOM 1035 CB ALA A 504 -11.409 4.056 1.676 1.00 51.33 C ATOM 0 H ALA A 504 -10.412 5.938 2.946 1.00 51.35 H new ATOM 0 HA ALA A 504 -12.607 4.204 3.417 1.00 71.33 H new ATOM 0 HB1 ALA A 504 -11.845 3.107 1.363 1.00 51.33 H new ATOM 0 HB2 ALA A 504 -11.931 4.876 1.183 1.00 51.33 H new ATOM 0 HB3 ALA A 504 -10.355 4.080 1.401 1.00 51.33 H new ATOM 1041 N ALA A 505 -9.580 3.132 4.084 1.00 73.55 N ATOM 1042 CA ALA A 505 -8.828 2.092 4.751 1.00 51.25 C ATOM 1043 C ALA A 505 -9.194 2.005 6.207 1.00 53.03 C ATOM 1044 O ALA A 505 -9.309 0.921 6.751 1.00 53.45 O ATOM 1045 CB ALA A 505 -7.330 2.290 4.576 1.00 50.21 C ATOM 0 H ALA A 505 -9.017 3.925 3.776 1.00 73.55 H new ATOM 0 HA ALA A 505 -9.093 1.145 4.282 1.00 51.25 H new ATOM 0 HB1 ALA A 505 -6.795 1.491 5.090 1.00 50.21 H new ATOM 0 HB2 ALA A 505 -7.082 2.269 3.515 1.00 50.21 H new ATOM 0 HB3 ALA A 505 -7.038 3.252 4.998 1.00 50.21 H new ATOM 1051 N GLN A 506 -9.406 3.140 6.825 1.00 65.43 N ATOM 1052 CA GLN A 506 -9.772 3.170 8.216 1.00 54.24 C ATOM 1053 C GLN A 506 -11.158 2.591 8.424 1.00 51.53 C ATOM 1054 O GLN A 506 -11.376 1.793 9.351 1.00 74.11 O ATOM 1055 CB GLN A 506 -9.660 4.585 8.787 1.00 55.31 C ATOM 1056 CG GLN A 506 -10.060 4.697 10.248 1.00 72.04 C ATOM 1057 CD GLN A 506 -9.794 6.063 10.817 1.00 2.51 C ATOM 1058 OE1 GLN A 506 -8.723 6.317 11.364 1.00 60.01 O ATOM 1059 NE2 GLN A 506 -10.736 6.950 10.695 1.00 31.44 N ATOM 0 H GLN A 506 -9.331 4.057 6.384 1.00 65.43 H new ATOM 0 HA GLN A 506 -9.068 2.543 8.764 1.00 54.24 H new ATOM 0 HB2 GLN A 506 -8.632 4.930 8.675 1.00 55.31 H new ATOM 0 HB3 GLN A 506 -10.287 5.254 8.197 1.00 55.31 H new ATOM 0 HG2 GLN A 506 -11.120 4.465 10.349 1.00 72.04 H new ATOM 0 HG3 GLN A 506 -9.514 3.953 10.828 1.00 72.04 H new ATOM 0 HE21 GLN A 506 -11.612 6.703 10.235 1.00 31.44 H new ATOM 0 HE22 GLN A 506 -10.599 7.893 11.059 1.00 31.44 H new ATOM 1068 N LYS A 507 -12.074 2.940 7.555 1.00 31.12 N ATOM 1069 CA LYS A 507 -13.419 2.455 7.677 1.00 24.45 C ATOM 1070 C LYS A 507 -13.485 0.963 7.382 1.00 63.01 C ATOM 1071 O LYS A 507 -14.124 0.205 8.105 1.00 1.54 O ATOM 1072 CB LYS A 507 -14.375 3.231 6.764 1.00 41.12 C ATOM 1073 CG LYS A 507 -15.819 2.740 6.835 1.00 51.12 C ATOM 1074 CD LYS A 507 -16.753 3.519 5.922 1.00 75.33 C ATOM 1075 CE LYS A 507 -16.875 4.974 6.334 1.00 1.21 C ATOM 1076 NZ LYS A 507 -17.875 5.695 5.529 1.00 30.55 N ATOM 0 H LYS A 507 -11.910 3.556 6.759 1.00 31.12 H new ATOM 0 HA LYS A 507 -13.737 2.615 8.707 1.00 24.45 H new ATOM 0 HB2 LYS A 507 -14.345 4.287 7.033 1.00 41.12 H new ATOM 0 HB3 LYS A 507 -14.024 3.155 5.735 1.00 41.12 H new ATOM 0 HG2 LYS A 507 -15.852 1.684 6.566 1.00 51.12 H new ATOM 0 HG3 LYS A 507 -16.174 2.818 7.863 1.00 51.12 H new ATOM 0 HD2 LYS A 507 -16.387 3.463 4.897 1.00 75.33 H new ATOM 0 HD3 LYS A 507 -17.740 3.056 5.934 1.00 75.33 H new ATOM 0 HE2 LYS A 507 -17.149 5.030 7.387 1.00 1.21 H new ATOM 0 HE3 LYS A 507 -15.906 5.462 6.230 1.00 1.21 H new ATOM 0 HZ1 LYS A 507 -17.926 6.685 5.844 1.00 30.55 H new ATOM 0 HZ2 LYS A 507 -17.601 5.664 4.526 1.00 30.55 H new ATOM 0 HZ3 LYS A 507 -18.805 5.246 5.648 1.00 30.55 H new ATOM 1090 N CYS A 508 -12.778 0.540 6.377 1.00 0.44 N ATOM 1091 CA CYS A 508 -12.864 -0.818 5.936 1.00 32.42 C ATOM 1092 C CYS A 508 -11.758 -1.722 6.526 1.00 62.22 C ATOM 1093 O CYS A 508 -11.562 -2.855 6.073 1.00 32.15 O ATOM 1094 CB CYS A 508 -12.877 -0.853 4.416 1.00 33.12 C ATOM 1095 SG CYS A 508 -14.144 0.206 3.671 1.00 65.31 S ATOM 0 H CYS A 508 -12.131 1.121 5.844 1.00 0.44 H new ATOM 0 HA CYS A 508 -13.798 -1.234 6.313 1.00 32.42 H new ATOM 0 HB2 CYS A 508 -11.898 -0.547 4.046 1.00 33.12 H new ATOM 0 HB3 CYS A 508 -13.036 -1.880 4.087 1.00 33.12 H new ATOM 0 HG CYS A 508 -13.685 1.417 3.556 1.00 65.31 H new ATOM 1101 N HIS A 509 -11.023 -1.240 7.514 1.00 4.11 N ATOM 1102 CA HIS A 509 -10.037 -2.087 8.164 1.00 63.45 C ATOM 1103 C HIS A 509 -10.723 -3.244 8.929 1.00 13.13 C ATOM 1104 O HIS A 509 -11.251 -3.043 10.027 1.00 33.14 O ATOM 1105 CB HIS A 509 -9.121 -1.279 9.104 1.00 74.42 C ATOM 1106 CG HIS A 509 -7.925 -2.052 9.599 1.00 60.41 C ATOM 1107 ND1 HIS A 509 -6.718 -2.080 8.945 1.00 71.34 N ATOM 1108 CD2 HIS A 509 -7.769 -2.836 10.697 1.00 2.21 C ATOM 1109 CE1 HIS A 509 -5.885 -2.849 9.626 1.00 4.45 C ATOM 1110 NE2 HIS A 509 -6.468 -3.342 10.710 1.00 63.44 N ATOM 0 H HIS A 509 -11.087 -0.289 7.877 1.00 4.11 H new ATOM 0 HA HIS A 509 -9.409 -2.515 7.382 1.00 63.45 H new ATOM 0 HB2 HIS A 509 -8.775 -0.387 8.581 1.00 74.42 H new ATOM 0 HB3 HIS A 509 -9.703 -0.940 9.961 1.00 74.42 H new ATOM 0 HD1 HIS A 509 -6.500 -1.589 8.078 1.00 71.34 H new ATOM 0 HD2 HIS A 509 -8.528 -3.035 11.439 1.00 2.21 H new ATOM 0 HE1 HIS A 509 -4.864 -3.049 9.337 1.00 4.45 H new ATOM 1118 N LYS A 510 -10.774 -4.418 8.271 1.00 1.15 N ATOM 1119 CA LYS A 510 -11.282 -5.688 8.829 1.00 71.22 C ATOM 1120 C LYS A 510 -12.816 -5.646 8.884 1.00 13.03 C ATOM 1121 O LYS A 510 -13.462 -6.264 9.735 1.00 62.51 O ATOM 1122 CB LYS A 510 -10.643 -5.963 10.206 1.00 64.12 C ATOM 1123 CG LYS A 510 -10.768 -7.405 10.715 1.00 42.42 C ATOM 1124 CD LYS A 510 -10.210 -7.545 12.132 1.00 52.33 C ATOM 1125 CE LYS A 510 -8.716 -7.209 12.226 1.00 31.12 C ATOM 1126 NZ LYS A 510 -7.836 -8.193 11.537 1.00 64.52 N ATOM 0 H LYS A 510 -10.453 -4.513 7.307 1.00 1.15 H new ATOM 0 HA LYS A 510 -10.999 -6.519 8.183 1.00 71.22 H new ATOM 0 HB2 LYS A 510 -9.585 -5.705 10.155 1.00 64.12 H new ATOM 0 HB3 LYS A 510 -11.099 -5.297 10.938 1.00 64.12 H new ATOM 0 HG2 LYS A 510 -11.815 -7.708 10.703 1.00 42.42 H new ATOM 0 HG3 LYS A 510 -10.234 -8.077 10.044 1.00 42.42 H new ATOM 0 HD2 LYS A 510 -10.767 -6.889 12.802 1.00 52.33 H new ATOM 0 HD3 LYS A 510 -10.369 -8.566 12.480 1.00 52.33 H new ATOM 0 HE2 LYS A 510 -8.547 -6.221 11.797 1.00 31.12 H new ATOM 0 HE3 LYS A 510 -8.431 -7.153 13.277 1.00 31.12 H new ATOM 0 HZ1 LYS A 510 -6.840 -7.931 11.684 1.00 64.52 H new ATOM 0 HZ2 LYS A 510 -8.006 -9.142 11.926 1.00 64.52 H new ATOM 0 HZ3 LYS A 510 -8.047 -8.194 10.519 1.00 64.52 H new ATOM 1140 N LYS A 511 -13.375 -4.963 7.916 1.00 71.34 N ATOM 1141 CA LYS A 511 -14.802 -4.779 7.785 1.00 63.11 C ATOM 1142 C LYS A 511 -15.431 -6.025 7.144 1.00 35.15 C ATOM 1143 O LYS A 511 -14.778 -6.740 6.390 1.00 33.41 O ATOM 1144 CB LYS A 511 -15.069 -3.527 6.919 1.00 53.45 C ATOM 1145 CG LYS A 511 -16.547 -3.160 6.687 1.00 1.43 C ATOM 1146 CD LYS A 511 -17.271 -2.720 7.965 1.00 33.04 C ATOM 1147 CE LYS A 511 -16.683 -1.437 8.544 1.00 73.14 C ATOM 1148 NZ LYS A 511 -17.443 -0.939 9.705 1.00 15.35 N ATOM 0 H LYS A 511 -12.838 -4.508 7.178 1.00 71.34 H new ATOM 0 HA LYS A 511 -15.251 -4.637 8.768 1.00 63.11 H new ATOM 0 HB2 LYS A 511 -14.574 -2.676 7.387 1.00 53.45 H new ATOM 0 HB3 LYS A 511 -14.597 -3.676 5.948 1.00 53.45 H new ATOM 0 HG2 LYS A 511 -16.604 -2.358 5.951 1.00 1.43 H new ATOM 0 HG3 LYS A 511 -17.065 -4.020 6.262 1.00 1.43 H new ATOM 0 HD2 LYS A 511 -18.328 -2.568 7.748 1.00 33.04 H new ATOM 0 HD3 LYS A 511 -17.209 -3.515 8.708 1.00 33.04 H new ATOM 0 HE2 LYS A 511 -15.650 -1.617 8.841 1.00 73.14 H new ATOM 0 HE3 LYS A 511 -16.664 -0.669 7.771 1.00 73.14 H new ATOM 0 HZ1 LYS A 511 -17.002 -0.066 10.060 1.00 15.35 H new ATOM 0 HZ2 LYS A 511 -18.423 -0.740 9.419 1.00 15.35 H new ATOM 0 HZ3 LYS A 511 -17.441 -1.658 10.456 1.00 15.35 H new ATOM 1162 N ASN A 512 -16.670 -6.300 7.477 1.00 61.43 N ATOM 1163 CA ASN A 512 -17.387 -7.433 6.887 1.00 75.35 C ATOM 1164 C ASN A 512 -17.910 -7.073 5.515 1.00 32.02 C ATOM 1165 O ASN A 512 -18.315 -5.937 5.276 1.00 73.14 O ATOM 1166 CB ASN A 512 -18.582 -7.886 7.752 1.00 3.40 C ATOM 1167 CG ASN A 512 -18.228 -8.677 9.003 1.00 43.40 C ATOM 1168 OD1 ASN A 512 -19.010 -9.523 9.442 1.00 32.14 O ATOM 1169 ND2 ASN A 512 -17.088 -8.425 9.592 1.00 0.25 N ATOM 0 H ASN A 512 -17.213 -5.762 8.152 1.00 61.43 H new ATOM 0 HA ASN A 512 -16.669 -8.250 6.824 1.00 75.35 H new ATOM 0 HB2 ASN A 512 -19.147 -7.003 8.050 1.00 3.40 H new ATOM 0 HB3 ASN A 512 -19.244 -8.494 7.135 1.00 3.40 H new ATOM 0 HD21 ASN A 512 -16.827 -8.934 10.437 1.00 0.25 H new ATOM 0 HD22 ASN A 512 -16.460 -7.720 9.207 1.00 0.25 H new ATOM 1176 N MET A 513 -17.884 -8.027 4.629 1.00 44.22 N ATOM 1177 CA MET A 513 -18.434 -7.890 3.309 1.00 0.52 C ATOM 1178 C MET A 513 -19.116 -9.188 2.953 1.00 43.41 C ATOM 1179 O MET A 513 -18.449 -10.195 2.660 1.00 2.24 O ATOM 1180 CB MET A 513 -17.358 -7.558 2.274 1.00 64.24 C ATOM 1181 CG MET A 513 -17.898 -7.346 0.862 1.00 64.30 C ATOM 1182 SD MET A 513 -16.599 -7.009 -0.348 1.00 74.41 S ATOM 1183 CE MET A 513 -17.571 -6.791 -1.837 1.00 54.25 C ATOM 0 H MET A 513 -17.471 -8.942 4.807 1.00 44.22 H new ATOM 0 HA MET A 513 -19.144 -7.063 3.302 1.00 0.52 H new ATOM 0 HB2 MET A 513 -16.831 -6.657 2.589 1.00 64.24 H new ATOM 0 HB3 MET A 513 -16.626 -8.365 2.254 1.00 64.24 H new ATOM 0 HG2 MET A 513 -18.452 -8.233 0.554 1.00 64.30 H new ATOM 0 HG3 MET A 513 -18.604 -6.515 0.870 1.00 64.30 H new ATOM 0 HE1 MET A 513 -17.007 -6.196 -2.556 1.00 54.25 H new ATOM 0 HE2 MET A 513 -17.797 -7.765 -2.270 1.00 54.25 H new ATOM 0 HE3 MET A 513 -18.501 -6.278 -1.592 1.00 54.25 H new ATOM 1193 N LYS A 514 -20.432 -9.170 3.023 1.00 43.42 N ATOM 1194 CA LYS A 514 -21.304 -10.316 2.752 1.00 35.34 C ATOM 1195 C LYS A 514 -21.118 -11.402 3.799 1.00 13.41 C ATOM 1196 O LYS A 514 -21.824 -11.447 4.799 1.00 63.42 O ATOM 1197 CB LYS A 514 -21.106 -10.888 1.321 1.00 22.52 C ATOM 1198 CG LYS A 514 -21.221 -9.862 0.211 1.00 5.51 C ATOM 1199 CD LYS A 514 -22.569 -9.172 0.201 1.00 11.24 C ATOM 1200 CE LYS A 514 -22.592 -8.088 -0.850 1.00 21.03 C ATOM 1201 NZ LYS A 514 -22.364 -8.629 -2.200 1.00 11.43 N ATOM 0 H LYS A 514 -20.951 -8.330 3.279 1.00 43.42 H new ATOM 0 HA LYS A 514 -22.330 -9.951 2.809 1.00 35.34 H new ATOM 0 HB2 LYS A 514 -20.124 -11.357 1.264 1.00 22.52 H new ATOM 0 HB3 LYS A 514 -21.844 -11.672 1.152 1.00 22.52 H new ATOM 0 HG2 LYS A 514 -20.435 -9.116 0.326 1.00 5.51 H new ATOM 0 HG3 LYS A 514 -21.059 -10.350 -0.750 1.00 5.51 H new ATOM 0 HD2 LYS A 514 -23.356 -9.899 0.001 1.00 11.24 H new ATOM 0 HD3 LYS A 514 -22.773 -8.742 1.182 1.00 11.24 H new ATOM 0 HE2 LYS A 514 -23.553 -7.575 -0.822 1.00 21.03 H new ATOM 0 HE3 LYS A 514 -21.828 -7.345 -0.622 1.00 21.03 H new ATOM 0 HZ1 LYS A 514 -22.713 -7.952 -2.909 1.00 11.43 H new ATOM 0 HZ2 LYS A 514 -21.346 -8.787 -2.343 1.00 11.43 H new ATOM 0 HZ3 LYS A 514 -22.872 -9.531 -2.303 1.00 11.43 H new ATOM 1215 N ASP A 515 -20.135 -12.231 3.583 1.00 42.25 N ATOM 1216 CA ASP A 515 -19.837 -13.346 4.455 1.00 65.05 C ATOM 1217 C ASP A 515 -18.345 -13.384 4.711 1.00 33.01 C ATOM 1218 O ASP A 515 -17.840 -14.227 5.447 1.00 42.42 O ATOM 1219 CB ASP A 515 -20.234 -14.691 3.804 1.00 50.54 C ATOM 1220 CG ASP A 515 -21.645 -14.742 3.268 1.00 12.31 C ATOM 1221 OD1 ASP A 515 -21.858 -14.383 2.080 1.00 4.23 O ATOM 1222 OD2 ASP A 515 -22.564 -15.168 4.001 1.00 51.02 O ATOM 0 H ASP A 515 -19.505 -12.154 2.785 1.00 42.25 H new ATOM 0 HA ASP A 515 -20.401 -13.212 5.378 1.00 65.05 H new ATOM 0 HB2 ASP A 515 -19.542 -14.902 2.988 1.00 50.54 H new ATOM 0 HB3 ASP A 515 -20.111 -15.485 4.540 1.00 50.54 H new ATOM 1227 N ARG A 516 -17.646 -12.466 4.124 1.00 32.34 N ATOM 1228 CA ARG A 516 -16.211 -12.471 4.138 1.00 14.21 C ATOM 1229 C ARG A 516 -15.743 -11.271 4.937 1.00 74.12 C ATOM 1230 O ARG A 516 -16.519 -10.346 5.165 1.00 24.54 O ATOM 1231 CB ARG A 516 -15.749 -12.373 2.688 1.00 73.44 C ATOM 1232 CG ARG A 516 -14.320 -12.765 2.389 1.00 72.01 C ATOM 1233 CD ARG A 516 -14.064 -14.234 2.647 1.00 73.22 C ATOM 1234 NE ARG A 516 -12.793 -14.666 2.054 1.00 13.14 N ATOM 1235 CZ ARG A 516 -11.847 -15.386 2.662 1.00 55.01 C ATOM 1236 NH1 ARG A 516 -11.943 -15.677 3.957 1.00 45.15 N ATOM 1237 NH2 ARG A 516 -10.800 -15.807 1.962 1.00 22.23 N ATOM 0 H ARG A 516 -18.055 -11.682 3.615 1.00 32.34 H new ATOM 0 HA ARG A 516 -15.803 -13.374 4.593 1.00 14.21 H new ATOM 0 HB2 ARG A 516 -16.404 -12.998 2.082 1.00 73.44 H new ATOM 0 HB3 ARG A 516 -15.893 -11.345 2.356 1.00 73.44 H new ATOM 0 HG2 ARG A 516 -14.092 -12.536 1.348 1.00 72.01 H new ATOM 0 HG3 ARG A 516 -13.645 -12.167 3.002 1.00 72.01 H new ATOM 0 HD2 ARG A 516 -14.048 -14.419 3.721 1.00 73.22 H new ATOM 0 HD3 ARG A 516 -14.881 -14.826 2.233 1.00 73.22 H new ATOM 0 HE ARG A 516 -12.616 -14.391 1.088 1.00 13.14 H new ATOM 0 HH11 ARG A 516 -12.745 -15.349 4.495 1.00 45.15 H new ATOM 0 HH12 ARG A 516 -11.215 -16.228 4.411 1.00 45.15 H new ATOM 0 HH21 ARG A 516 -10.725 -15.580 0.971 1.00 22.23 H new ATOM 0 HH22 ARG A 516 -10.071 -16.358 2.416 1.00 22.23 H new ATOM 1251 N TYR A 517 -14.526 -11.298 5.397 1.00 13.30 N ATOM 1252 CA TYR A 517 -13.979 -10.196 6.140 1.00 50.34 C ATOM 1253 C TYR A 517 -12.868 -9.569 5.328 1.00 2.21 C ATOM 1254 O TYR A 517 -11.860 -10.225 5.021 1.00 44.43 O ATOM 1255 CB TYR A 517 -13.424 -10.669 7.473 1.00 22.12 C ATOM 1256 CG TYR A 517 -14.385 -11.525 8.285 1.00 55.41 C ATOM 1257 CD1 TYR A 517 -13.991 -12.750 8.808 1.00 50.32 C ATOM 1258 CD2 TYR A 517 -15.689 -11.121 8.496 1.00 10.31 C ATOM 1259 CE1 TYR A 517 -14.874 -13.540 9.516 1.00 41.15 C ATOM 1260 CE2 TYR A 517 -16.572 -11.900 9.205 1.00 63.41 C ATOM 1261 CZ TYR A 517 -16.164 -13.104 9.711 1.00 20.34 C ATOM 1262 OH TYR A 517 -17.057 -13.885 10.400 1.00 70.12 O ATOM 0 H TYR A 517 -13.885 -12.081 5.269 1.00 13.30 H new ATOM 0 HA TYR A 517 -14.768 -9.469 6.334 1.00 50.34 H new ATOM 0 HB2 TYR A 517 -12.513 -11.239 7.292 1.00 22.12 H new ATOM 0 HB3 TYR A 517 -13.143 -9.798 8.065 1.00 22.12 H new ATOM 0 HD1 TYR A 517 -12.977 -13.090 8.658 1.00 50.32 H new ATOM 0 HD2 TYR A 517 -16.021 -10.174 8.096 1.00 10.31 H new ATOM 0 HE1 TYR A 517 -14.555 -14.492 9.913 1.00 41.15 H new ATOM 0 HE2 TYR A 517 -17.586 -11.562 9.362 1.00 63.41 H new ATOM 0 HH TYR A 517 -17.922 -13.428 10.448 1.00 70.12 H new ATOM 1272 N VAL A 518 -13.042 -8.335 4.999 1.00 14.40 N ATOM 1273 CA VAL A 518 -12.130 -7.619 4.170 1.00 53.22 C ATOM 1274 C VAL A 518 -11.258 -6.720 5.031 1.00 50.01 C ATOM 1275 O VAL A 518 -11.731 -5.777 5.659 1.00 2.13 O ATOM 1276 CB VAL A 518 -12.884 -6.759 3.136 1.00 64.12 C ATOM 1277 CG1 VAL A 518 -11.919 -6.049 2.201 1.00 1.42 C ATOM 1278 CG2 VAL A 518 -13.857 -7.601 2.338 1.00 5.45 C ATOM 0 H VAL A 518 -13.842 -7.781 5.306 1.00 14.40 H new ATOM 0 HA VAL A 518 -11.511 -8.341 3.637 1.00 53.22 H new ATOM 0 HB VAL A 518 -13.446 -6.004 3.686 1.00 64.12 H new ATOM 0 HG11 VAL A 518 -12.481 -5.451 1.484 1.00 1.42 H new ATOM 0 HG12 VAL A 518 -11.263 -5.399 2.780 1.00 1.42 H new ATOM 0 HG13 VAL A 518 -11.320 -6.787 1.668 1.00 1.42 H new ATOM 0 HG21 VAL A 518 -14.376 -6.971 1.616 1.00 5.45 H new ATOM 0 HG22 VAL A 518 -13.313 -8.385 1.811 1.00 5.45 H new ATOM 0 HG23 VAL A 518 -14.584 -8.054 3.012 1.00 5.45 H new ATOM 1288 N GLU A 519 -10.016 -7.035 5.084 1.00 74.12 N ATOM 1289 CA GLU A 519 -9.059 -6.272 5.812 1.00 10.13 C ATOM 1290 C GLU A 519 -8.418 -5.302 4.851 1.00 43.53 C ATOM 1291 O GLU A 519 -7.749 -5.706 3.907 1.00 41.53 O ATOM 1292 CB GLU A 519 -8.035 -7.202 6.425 1.00 31.21 C ATOM 1293 CG GLU A 519 -8.670 -8.264 7.299 1.00 71.30 C ATOM 1294 CD GLU A 519 -7.675 -9.217 7.856 1.00 2.43 C ATOM 1295 OE1 GLU A 519 -7.167 -10.076 7.094 1.00 20.44 O ATOM 1296 OE2 GLU A 519 -7.392 -9.152 9.065 1.00 32.44 O ATOM 0 H GLU A 519 -9.623 -7.849 4.612 1.00 74.12 H new ATOM 0 HA GLU A 519 -9.529 -5.717 6.624 1.00 10.13 H new ATOM 0 HB2 GLU A 519 -7.463 -7.683 5.631 1.00 31.21 H new ATOM 0 HB3 GLU A 519 -7.330 -6.621 7.019 1.00 31.21 H new ATOM 0 HG2 GLU A 519 -9.205 -7.783 8.118 1.00 71.30 H new ATOM 0 HG3 GLU A 519 -9.408 -8.815 6.716 1.00 71.30 H new ATOM 1303 N VAL A 520 -8.680 -4.044 5.044 1.00 60.30 N ATOM 1304 CA VAL A 520 -8.201 -3.028 4.152 1.00 50.23 C ATOM 1305 C VAL A 520 -7.019 -2.247 4.752 1.00 71.41 C ATOM 1306 O VAL A 520 -7.087 -1.755 5.887 1.00 23.10 O ATOM 1307 CB VAL A 520 -9.372 -2.092 3.795 1.00 70.20 C ATOM 1308 CG1 VAL A 520 -8.935 -0.957 2.942 1.00 5.54 C ATOM 1309 CG2 VAL A 520 -10.456 -2.878 3.089 1.00 45.34 C ATOM 0 H VAL A 520 -9.233 -3.691 5.825 1.00 60.30 H new ATOM 0 HA VAL A 520 -7.823 -3.501 3.245 1.00 50.23 H new ATOM 0 HB VAL A 520 -9.760 -1.675 4.724 1.00 70.20 H new ATOM 0 HG11 VAL A 520 -9.791 -0.322 2.714 1.00 5.54 H new ATOM 0 HG12 VAL A 520 -8.181 -0.373 3.471 1.00 5.54 H new ATOM 0 HG13 VAL A 520 -8.511 -1.341 2.014 1.00 5.54 H new ATOM 0 HG21 VAL A 520 -11.283 -2.213 2.838 1.00 45.34 H new ATOM 0 HG22 VAL A 520 -10.052 -3.316 2.176 1.00 45.34 H new ATOM 0 HG23 VAL A 520 -10.815 -3.672 3.744 1.00 45.34 H new ATOM 1319 N PHE A 521 -5.941 -2.165 3.985 1.00 3.54 N ATOM 1320 CA PHE A 521 -4.709 -1.491 4.390 1.00 62.45 C ATOM 1321 C PHE A 521 -4.342 -0.430 3.344 1.00 72.21 C ATOM 1322 O PHE A 521 -4.624 -0.607 2.173 1.00 20.32 O ATOM 1323 CB PHE A 521 -3.558 -2.511 4.488 1.00 63.51 C ATOM 1324 CG PHE A 521 -3.805 -3.664 5.433 1.00 4.03 C ATOM 1325 CD1 PHE A 521 -3.428 -3.584 6.760 1.00 62.34 C ATOM 1326 CD2 PHE A 521 -4.410 -4.833 4.982 1.00 3.20 C ATOM 1327 CE1 PHE A 521 -3.647 -4.643 7.622 1.00 43.40 C ATOM 1328 CE2 PHE A 521 -4.631 -5.893 5.841 1.00 1.11 C ATOM 1329 CZ PHE A 521 -4.251 -5.797 7.163 1.00 31.40 C ATOM 0 H PHE A 521 -5.894 -2.570 3.050 1.00 3.54 H new ATOM 0 HA PHE A 521 -4.864 -1.022 5.362 1.00 62.45 H new ATOM 0 HB2 PHE A 521 -3.362 -2.912 3.493 1.00 63.51 H new ATOM 0 HB3 PHE A 521 -2.655 -1.988 4.805 1.00 63.51 H new ATOM 0 HD1 PHE A 521 -2.957 -2.684 7.128 1.00 62.34 H new ATOM 0 HD2 PHE A 521 -4.711 -4.913 3.948 1.00 3.20 H new ATOM 0 HE1 PHE A 521 -3.345 -4.567 8.656 1.00 43.40 H new ATOM 0 HE2 PHE A 521 -5.101 -6.795 5.477 1.00 1.11 H new ATOM 0 HZ PHE A 521 -4.425 -6.622 7.838 1.00 31.40 H new ATOM 1339 N GLN A 522 -3.722 0.649 3.763 1.00 54.05 N ATOM 1340 CA GLN A 522 -3.327 1.727 2.858 1.00 54.34 C ATOM 1341 C GLN A 522 -1.840 1.622 2.519 1.00 65.22 C ATOM 1342 O GLN A 522 -1.019 1.312 3.390 1.00 23.30 O ATOM 1343 CB GLN A 522 -3.663 3.080 3.511 1.00 2.23 C ATOM 1344 CG GLN A 522 -3.275 4.341 2.721 1.00 10.13 C ATOM 1345 CD GLN A 522 -2.033 5.066 3.274 1.00 21.52 C ATOM 1346 OE1 GLN A 522 -1.910 6.279 3.158 1.00 32.50 O ATOM 1347 NE2 GLN A 522 -1.116 4.346 3.887 1.00 42.51 N ATOM 0 H GLN A 522 -3.473 0.813 4.738 1.00 54.05 H new ATOM 0 HA GLN A 522 -3.879 1.644 1.922 1.00 54.34 H new ATOM 0 HB2 GLN A 522 -4.737 3.111 3.697 1.00 2.23 H new ATOM 0 HB3 GLN A 522 -3.170 3.121 4.482 1.00 2.23 H new ATOM 0 HG2 GLN A 522 -3.090 4.065 1.683 1.00 10.13 H new ATOM 0 HG3 GLN A 522 -4.118 5.032 2.722 1.00 10.13 H new ATOM 0 HE21 GLN A 522 -1.234 3.337 3.975 1.00 42.51 H new ATOM 0 HE22 GLN A 522 -0.287 4.798 4.274 1.00 42.51 H new ATOM 1356 N CYS A 523 -1.501 1.915 1.294 1.00 74.22 N ATOM 1357 CA CYS A 523 -0.137 1.849 0.822 1.00 74.25 C ATOM 1358 C CYS A 523 0.145 2.899 -0.243 1.00 11.34 C ATOM 1359 O CYS A 523 -0.753 3.641 -0.676 1.00 4.42 O ATOM 1360 CB CYS A 523 0.202 0.436 0.327 1.00 11.32 C ATOM 1361 SG CYS A 523 -1.009 -0.282 -0.809 1.00 41.13 S ATOM 0 H CYS A 523 -2.170 2.211 0.583 1.00 74.22 H new ATOM 0 HA CYS A 523 0.516 2.073 1.666 1.00 74.25 H new ATOM 0 HB2 CYS A 523 1.172 0.463 -0.169 1.00 11.32 H new ATOM 0 HB3 CYS A 523 0.303 -0.221 1.190 1.00 11.32 H new ATOM 0 HG CYS A 523 -2.037 0.508 -0.903 1.00 41.13 H new ATOM 1367 N SER A 524 1.385 2.984 -0.622 1.00 3.50 N ATOM 1368 CA SER A 524 1.829 3.926 -1.606 1.00 1.10 C ATOM 1369 C SER A 524 1.632 3.369 -3.006 1.00 72.30 C ATOM 1370 O SER A 524 1.543 2.142 -3.199 1.00 24.11 O ATOM 1371 CB SER A 524 3.309 4.241 -1.361 1.00 74.40 C ATOM 1372 OG SER A 524 4.094 3.062 -1.459 1.00 11.15 O ATOM 0 H SER A 524 2.128 2.392 -0.251 1.00 3.50 H new ATOM 0 HA SER A 524 1.241 4.840 -1.523 1.00 1.10 H new ATOM 0 HB2 SER A 524 3.655 4.976 -2.088 1.00 74.40 H new ATOM 0 HB3 SER A 524 3.433 4.686 -0.374 1.00 74.40 H new ATOM 0 HG SER A 524 5.036 3.282 -1.302 1.00 11.15 H new ATOM 1378 N ALA A 525 1.588 4.259 -3.982 1.00 63.51 N ATOM 1379 CA ALA A 525 1.478 3.859 -5.366 1.00 54.33 C ATOM 1380 C ALA A 525 2.719 3.092 -5.786 1.00 65.32 C ATOM 1381 O ALA A 525 2.661 2.219 -6.637 1.00 0.20 O ATOM 1382 CB ALA A 525 1.255 5.067 -6.265 1.00 21.01 C ATOM 0 H ALA A 525 1.627 5.268 -3.836 1.00 63.51 H new ATOM 0 HA ALA A 525 0.613 3.204 -5.471 1.00 54.33 H new ATOM 0 HB1 ALA A 525 1.176 4.739 -7.302 1.00 21.01 H new ATOM 0 HB2 ALA A 525 0.335 5.573 -5.973 1.00 21.01 H new ATOM 0 HB3 ALA A 525 2.095 5.755 -6.165 1.00 21.01 H new ATOM 1388 N GLU A 526 3.834 3.406 -5.157 1.00 1.22 N ATOM 1389 CA GLU A 526 5.078 2.751 -5.440 1.00 12.21 C ATOM 1390 C GLU A 526 5.080 1.329 -4.849 1.00 24.04 C ATOM 1391 O GLU A 526 5.608 0.401 -5.462 1.00 64.24 O ATOM 1392 CB GLU A 526 6.242 3.598 -4.917 1.00 24.35 C ATOM 1393 CG GLU A 526 7.617 3.135 -5.355 1.00 41.03 C ATOM 1394 CD GLU A 526 7.752 3.038 -6.855 1.00 74.42 C ATOM 1395 OE1 GLU A 526 7.521 4.040 -7.561 1.00 12.22 O ATOM 1396 OE2 GLU A 526 8.122 1.960 -7.353 1.00 70.43 O ATOM 0 H GLU A 526 3.894 4.125 -4.436 1.00 1.22 H new ATOM 0 HA GLU A 526 5.202 2.650 -6.518 1.00 12.21 H new ATOM 0 HB2 GLU A 526 6.100 4.627 -5.246 1.00 24.35 H new ATOM 0 HB3 GLU A 526 6.207 3.604 -3.828 1.00 24.35 H new ATOM 0 HG2 GLU A 526 8.367 3.826 -4.971 1.00 41.03 H new ATOM 0 HG3 GLU A 526 7.825 2.161 -4.912 1.00 41.03 H new ATOM 1403 N GLU A 527 4.455 1.161 -3.687 1.00 72.52 N ATOM 1404 CA GLU A 527 4.329 -0.150 -3.052 1.00 22.20 C ATOM 1405 C GLU A 527 3.483 -1.033 -3.944 1.00 60.42 C ATOM 1406 O GLU A 527 3.853 -2.172 -4.264 1.00 71.54 O ATOM 1407 CB GLU A 527 3.648 -0.014 -1.685 1.00 73.12 C ATOM 1408 CG GLU A 527 3.750 -1.238 -0.795 1.00 32.41 C ATOM 1409 CD GLU A 527 5.121 -1.388 -0.185 1.00 60.42 C ATOM 1410 OE1 GLU A 527 6.077 -1.772 -0.891 1.00 14.24 O ATOM 1411 OE2 GLU A 527 5.267 -1.124 1.032 1.00 55.32 O ATOM 0 H GLU A 527 4.024 1.922 -3.162 1.00 72.52 H new ATOM 0 HA GLU A 527 5.319 -0.584 -2.909 1.00 22.20 H new ATOM 0 HB2 GLU A 527 4.085 0.836 -1.161 1.00 73.12 H new ATOM 0 HB3 GLU A 527 2.594 0.216 -1.842 1.00 73.12 H new ATOM 0 HG2 GLU A 527 3.007 -1.170 -0.001 1.00 32.41 H new ATOM 0 HG3 GLU A 527 3.514 -2.129 -1.377 1.00 32.41 H new ATOM 1418 N MET A 528 2.375 -0.467 -4.382 1.00 42.22 N ATOM 1419 CA MET A 528 1.431 -1.135 -5.264 1.00 62.13 C ATOM 1420 C MET A 528 2.114 -1.510 -6.565 1.00 0.05 C ATOM 1421 O MET A 528 1.957 -2.626 -7.072 1.00 13.04 O ATOM 1422 CB MET A 528 0.243 -0.206 -5.533 1.00 54.32 C ATOM 1423 CG MET A 528 -0.792 -0.747 -6.504 1.00 2.41 C ATOM 1424 SD MET A 528 -2.069 0.474 -6.871 1.00 23.24 S ATOM 1425 CE MET A 528 -3.082 -0.427 -8.028 1.00 34.31 C ATOM 0 H MET A 528 2.099 0.483 -4.133 1.00 42.22 H new ATOM 0 HA MET A 528 1.070 -2.047 -4.788 1.00 62.13 H new ATOM 0 HB2 MET A 528 -0.250 0.012 -4.585 1.00 54.32 H new ATOM 0 HB3 MET A 528 0.622 0.740 -5.920 1.00 54.32 H new ATOM 0 HG2 MET A 528 -0.300 -1.048 -7.429 1.00 2.41 H new ATOM 0 HG3 MET A 528 -1.253 -1.640 -6.083 1.00 2.41 H new ATOM 0 HE1 MET A 528 -4.101 -0.041 -7.997 1.00 34.31 H new ATOM 0 HE2 MET A 528 -2.679 -0.308 -9.034 1.00 34.31 H new ATOM 0 HE3 MET A 528 -3.087 -1.484 -7.761 1.00 34.31 H new ATOM 1435 N ASN A 529 2.897 -0.584 -7.068 1.00 3.44 N ATOM 1436 CA ASN A 529 3.646 -0.756 -8.297 1.00 74.11 C ATOM 1437 C ASN A 529 4.608 -1.920 -8.149 1.00 14.11 C ATOM 1438 O ASN A 529 4.639 -2.794 -8.986 1.00 63.22 O ATOM 1439 CB ASN A 529 4.376 0.571 -8.648 1.00 64.44 C ATOM 1440 CG ASN A 529 5.152 0.605 -9.970 1.00 74.43 C ATOM 1441 OD1 ASN A 529 5.707 -0.385 -10.427 1.00 63.00 O ATOM 1442 ND2 ASN A 529 5.216 1.767 -10.573 1.00 62.55 N ATOM 0 H ASN A 529 3.036 0.326 -6.629 1.00 3.44 H new ATOM 0 HA ASN A 529 2.973 -0.991 -9.122 1.00 74.11 H new ATOM 0 HB2 ASN A 529 3.636 1.371 -8.668 1.00 64.44 H new ATOM 0 HB3 ASN A 529 5.071 0.800 -7.840 1.00 64.44 H new ATOM 0 HD21 ASN A 529 5.738 1.861 -11.444 1.00 62.55 H new ATOM 0 HD22 ASN A 529 4.744 2.577 -10.171 1.00 62.55 H new ATOM 1449 N PHE A 530 5.305 -1.968 -7.033 1.00 52.24 N ATOM 1450 CA PHE A 530 6.292 -3.005 -6.779 1.00 55.33 C ATOM 1451 C PHE A 530 5.636 -4.385 -6.716 1.00 5.22 C ATOM 1452 O PHE A 530 6.154 -5.360 -7.274 1.00 43.40 O ATOM 1453 CB PHE A 530 7.065 -2.696 -5.485 1.00 3.34 C ATOM 1454 CG PHE A 530 8.205 -3.636 -5.192 1.00 14.23 C ATOM 1455 CD1 PHE A 530 9.395 -3.540 -5.898 1.00 74.10 C ATOM 1456 CD2 PHE A 530 8.095 -4.599 -4.201 1.00 41.21 C ATOM 1457 CE1 PHE A 530 10.451 -4.385 -5.624 1.00 23.04 C ATOM 1458 CE2 PHE A 530 9.147 -5.447 -3.925 1.00 21.22 C ATOM 1459 CZ PHE A 530 10.326 -5.342 -4.637 1.00 52.00 C ATOM 0 H PHE A 530 5.206 -1.292 -6.276 1.00 52.24 H new ATOM 0 HA PHE A 530 7.001 -3.019 -7.607 1.00 55.33 H new ATOM 0 HB2 PHE A 530 7.456 -1.680 -5.545 1.00 3.34 H new ATOM 0 HB3 PHE A 530 6.368 -2.720 -4.647 1.00 3.34 H new ATOM 0 HD1 PHE A 530 9.496 -2.794 -6.672 1.00 74.10 H new ATOM 0 HD2 PHE A 530 7.177 -4.686 -3.640 1.00 41.21 H new ATOM 0 HE1 PHE A 530 11.373 -4.298 -6.180 1.00 23.04 H new ATOM 0 HE2 PHE A 530 9.049 -6.194 -3.151 1.00 21.22 H new ATOM 0 HZ PHE A 530 11.149 -6.008 -4.422 1.00 52.00 H new ATOM 1469 N VAL A 531 4.477 -4.456 -6.082 1.00 62.01 N ATOM 1470 CA VAL A 531 3.770 -5.723 -5.960 1.00 0.33 C ATOM 1471 C VAL A 531 3.231 -6.181 -7.328 1.00 64.11 C ATOM 1472 O VAL A 531 3.315 -7.363 -7.691 1.00 22.32 O ATOM 1473 CB VAL A 531 2.607 -5.648 -4.922 1.00 42.24 C ATOM 1474 CG1 VAL A 531 1.875 -6.983 -4.817 1.00 71.04 C ATOM 1475 CG2 VAL A 531 3.138 -5.240 -3.555 1.00 60.23 C ATOM 0 H VAL A 531 4.009 -3.661 -5.648 1.00 62.01 H new ATOM 0 HA VAL A 531 4.490 -6.456 -5.597 1.00 0.33 H new ATOM 0 HB VAL A 531 1.900 -4.895 -5.269 1.00 42.24 H new ATOM 0 HG11 VAL A 531 1.070 -6.900 -4.086 1.00 71.04 H new ATOM 0 HG12 VAL A 531 1.457 -7.246 -5.789 1.00 71.04 H new ATOM 0 HG13 VAL A 531 2.574 -7.757 -4.501 1.00 71.04 H new ATOM 0 HG21 VAL A 531 2.313 -5.193 -2.844 1.00 60.23 H new ATOM 0 HG22 VAL A 531 3.869 -5.973 -3.215 1.00 60.23 H new ATOM 0 HG23 VAL A 531 3.612 -4.261 -3.626 1.00 60.23 H new ATOM 1485 N LEU A 532 2.733 -5.239 -8.102 1.00 32.34 N ATOM 1486 CA LEU A 532 2.135 -5.558 -9.379 1.00 53.34 C ATOM 1487 C LEU A 532 3.171 -5.732 -10.486 1.00 41.24 C ATOM 1488 O LEU A 532 2.897 -6.345 -11.503 1.00 61.33 O ATOM 1489 CB LEU A 532 1.084 -4.517 -9.777 1.00 11.22 C ATOM 1490 CG LEU A 532 -0.142 -4.393 -8.856 1.00 72.45 C ATOM 1491 CD1 LEU A 532 -1.079 -3.319 -9.369 1.00 55.34 C ATOM 1492 CD2 LEU A 532 -0.879 -5.724 -8.736 1.00 45.23 C ATOM 0 H LEU A 532 2.731 -4.246 -7.868 1.00 32.34 H new ATOM 0 HA LEU A 532 1.638 -6.520 -9.254 1.00 53.34 H new ATOM 0 HB2 LEU A 532 1.571 -3.543 -9.830 1.00 11.22 H new ATOM 0 HB3 LEU A 532 0.734 -4.753 -10.782 1.00 11.22 H new ATOM 0 HG LEU A 532 0.210 -4.111 -7.864 1.00 72.45 H new ATOM 0 HD11 LEU A 532 -1.942 -3.243 -8.707 1.00 55.34 H new ATOM 0 HD12 LEU A 532 -0.556 -2.363 -9.396 1.00 55.34 H new ATOM 0 HD13 LEU A 532 -1.414 -3.578 -10.373 1.00 55.34 H new ATOM 0 HD21 LEU A 532 -1.740 -5.605 -8.079 1.00 45.23 H new ATOM 0 HD22 LEU A 532 -1.216 -6.043 -9.722 1.00 45.23 H new ATOM 0 HD23 LEU A 532 -0.207 -6.476 -8.321 1.00 45.23 H new ATOM 1504 N MET A 533 4.363 -5.202 -10.284 1.00 1.24 N ATOM 1505 CA MET A 533 5.428 -5.290 -11.283 1.00 75.22 C ATOM 1506 C MET A 533 6.196 -6.613 -11.136 1.00 53.13 C ATOM 1507 O MET A 533 7.183 -6.879 -11.833 1.00 43.33 O ATOM 1508 CB MET A 533 6.360 -4.061 -11.182 1.00 11.22 C ATOM 1509 CG MET A 533 7.367 -3.900 -12.316 1.00 24.13 C ATOM 1510 SD MET A 533 8.359 -2.399 -12.144 1.00 31.44 S ATOM 1511 CE MET A 533 9.354 -2.493 -13.627 1.00 51.54 C ATOM 0 H MET A 533 4.625 -4.702 -9.434 1.00 1.24 H new ATOM 0 HA MET A 533 4.986 -5.283 -12.279 1.00 75.22 H new ATOM 0 HB2 MET A 533 5.744 -3.163 -11.138 1.00 11.22 H new ATOM 0 HB3 MET A 533 6.907 -4.119 -10.241 1.00 11.22 H new ATOM 0 HG2 MET A 533 8.026 -4.768 -12.340 1.00 24.13 H new ATOM 0 HG3 MET A 533 6.838 -3.876 -13.268 1.00 24.13 H new ATOM 0 HE1 MET A 533 10.024 -1.634 -13.671 1.00 51.54 H new ATOM 0 HE2 MET A 533 9.942 -3.411 -13.613 1.00 51.54 H new ATOM 0 HE3 MET A 533 8.704 -2.491 -14.502 1.00 51.54 H new ATOM 1521 N GLY A 534 5.701 -7.441 -10.257 1.00 24.45 N ATOM 1522 CA GLY A 534 6.287 -8.727 -10.012 1.00 45.14 C ATOM 1523 C GLY A 534 7.549 -8.639 -9.192 1.00 51.31 C ATOM 1524 O GLY A 534 8.500 -9.394 -9.417 1.00 52.14 O ATOM 0 H GLY A 534 4.877 -7.241 -9.690 1.00 24.45 H new ATOM 0 HA2 GLY A 534 5.565 -9.359 -9.495 1.00 45.14 H new ATOM 0 HA3 GLY A 534 6.509 -9.209 -10.964 1.00 45.14 H new ATOM 1528 N GLY A 535 7.564 -7.705 -8.259 1.00 71.42 N ATOM 1529 CA GLY A 535 8.674 -7.534 -7.406 1.00 45.45 C ATOM 1530 C GLY A 535 8.807 -8.675 -6.421 1.00 24.42 C ATOM 1531 O GLY A 535 7.796 -9.266 -6.003 1.00 44.31 O ATOM 0 H GLY A 535 6.796 -7.055 -8.089 1.00 71.42 H new ATOM 0 HA2 GLY A 535 9.583 -7.461 -8.003 1.00 45.45 H new ATOM 0 HA3 GLY A 535 8.573 -6.595 -6.863 1.00 45.45 H new ATOM 1535 N THR A 536 10.020 -9.005 -6.079 1.00 55.04 N ATOM 1536 CA THR A 536 10.290 -10.056 -5.136 1.00 11.33 C ATOM 1537 C THR A 536 9.898 -9.603 -3.730 1.00 70.24 C ATOM 1538 O THR A 536 10.160 -8.460 -3.329 1.00 53.11 O ATOM 1539 CB THR A 536 11.788 -10.503 -5.190 1.00 10.25 C ATOM 1540 OG1 THR A 536 12.057 -11.549 -4.240 1.00 24.35 O ATOM 1541 CG2 THR A 536 12.732 -9.334 -4.948 1.00 11.43 C ATOM 0 H THR A 536 10.855 -8.550 -6.448 1.00 55.04 H new ATOM 0 HA THR A 536 9.689 -10.925 -5.405 1.00 11.33 H new ATOM 0 HB THR A 536 11.965 -10.887 -6.195 1.00 10.25 H new ATOM 0 HG1 THR A 536 12.499 -11.169 -3.452 1.00 24.35 H new ATOM 0 HG21 THR A 536 13.763 -9.684 -4.993 1.00 11.43 H new ATOM 0 HG22 THR A 536 12.573 -8.574 -5.713 1.00 11.43 H new ATOM 0 HG23 THR A 536 12.537 -8.906 -3.965 1.00 11.43 H new ATOM 1549 N LEU A 537 9.278 -10.471 -2.987 1.00 72.53 N ATOM 1550 CA LEU A 537 8.832 -10.097 -1.686 1.00 14.42 C ATOM 1551 C LEU A 537 9.767 -10.691 -0.647 1.00 73.31 C ATOM 1552 O LEU A 537 9.529 -11.768 -0.095 1.00 1.02 O ATOM 1553 CB LEU A 537 7.355 -10.499 -1.447 1.00 60.50 C ATOM 1554 CG LEU A 537 6.561 -9.711 -0.361 1.00 41.11 C ATOM 1555 CD1 LEU A 537 7.157 -9.850 1.033 1.00 54.21 C ATOM 1556 CD2 LEU A 537 6.431 -8.241 -0.743 1.00 22.11 C ATOM 0 H LEU A 537 9.073 -11.432 -3.259 1.00 72.53 H new ATOM 0 HA LEU A 537 8.861 -9.011 -1.597 1.00 14.42 H new ATOM 0 HB2 LEU A 537 6.822 -10.399 -2.392 1.00 60.50 H new ATOM 0 HB3 LEU A 537 7.333 -11.555 -1.179 1.00 60.50 H new ATOM 0 HG LEU A 537 5.568 -10.159 -0.323 1.00 41.11 H new ATOM 0 HD11 LEU A 537 6.559 -9.279 1.743 1.00 54.21 H new ATOM 0 HD12 LEU A 537 7.160 -10.900 1.324 1.00 54.21 H new ATOM 0 HD13 LEU A 537 8.179 -9.471 1.031 1.00 54.21 H new ATOM 0 HD21 LEU A 537 5.873 -7.712 0.030 1.00 22.11 H new ATOM 0 HD22 LEU A 537 7.424 -7.801 -0.840 1.00 22.11 H new ATOM 0 HD23 LEU A 537 5.903 -8.157 -1.693 1.00 22.11 H new ATOM 1568 N ASN A 538 10.860 -10.034 -0.467 1.00 41.21 N ATOM 1569 CA ASN A 538 11.832 -10.377 0.532 1.00 64.14 C ATOM 1570 C ASN A 538 12.479 -9.095 0.982 1.00 53.42 C ATOM 1571 O ASN A 538 12.446 -8.087 0.243 1.00 73.23 O ATOM 1572 CB ASN A 538 12.905 -11.398 0.028 1.00 14.22 C ATOM 1573 CG ASN A 538 13.797 -10.903 -1.114 1.00 51.43 C ATOM 1574 OD1 ASN A 538 13.382 -10.122 -1.970 1.00 10.45 O ATOM 1575 ND2 ASN A 538 15.029 -11.350 -1.132 1.00 73.32 N ATOM 0 H ASN A 538 11.117 -9.218 -1.023 1.00 41.21 H new ATOM 0 HA ASN A 538 11.328 -10.880 1.357 1.00 64.14 H new ATOM 0 HB2 ASN A 538 13.541 -11.676 0.869 1.00 14.22 H new ATOM 0 HB3 ASN A 538 12.395 -12.304 -0.299 1.00 14.22 H new ATOM 0 HD21 ASN A 538 15.669 -11.051 -1.868 1.00 73.32 H new ATOM 0 HD22 ASN A 538 15.347 -11.997 -0.410 1.00 73.32 H new ATOM 1582 N ARG A 539 13.016 -9.081 2.163 1.00 53.04 N ATOM 1583 CA ARG A 539 13.648 -7.893 2.663 1.00 11.52 C ATOM 1584 C ARG A 539 15.008 -8.203 3.220 1.00 14.13 C ATOM 1585 O ARG A 539 15.146 -8.974 4.171 1.00 1.42 O ATOM 1586 CB ARG A 539 12.802 -7.181 3.734 1.00 55.43 C ATOM 1587 CG ARG A 539 13.443 -5.876 4.215 1.00 21.14 C ATOM 1588 CD ARG A 539 12.664 -5.212 5.333 1.00 3.50 C ATOM 1589 NE ARG A 539 13.284 -3.935 5.742 1.00 2.21 N ATOM 1590 CZ ARG A 539 12.837 -3.137 6.723 1.00 22.24 C ATOM 1591 NH1 ARG A 539 11.860 -3.538 7.528 1.00 52.31 N ATOM 1592 NH2 ARG A 539 13.407 -1.959 6.930 1.00 62.23 N ATOM 0 H ARG A 539 13.031 -9.877 2.801 1.00 53.04 H new ATOM 0 HA ARG A 539 13.748 -7.217 1.814 1.00 11.52 H new ATOM 0 HB2 ARG A 539 11.813 -6.968 3.329 1.00 55.43 H new ATOM 0 HB3 ARG A 539 12.662 -7.848 4.584 1.00 55.43 H new ATOM 0 HG2 ARG A 539 14.457 -6.080 4.558 1.00 21.14 H new ATOM 0 HG3 ARG A 539 13.523 -5.186 3.375 1.00 21.14 H new ATOM 0 HD2 ARG A 539 11.640 -5.032 5.007 1.00 3.50 H new ATOM 0 HD3 ARG A 539 12.612 -5.883 6.190 1.00 3.50 H new ATOM 0 HE ARG A 539 14.119 -3.636 5.238 1.00 2.21 H new ATOM 0 HH11 ARG A 539 11.443 -4.460 7.403 1.00 52.31 H new ATOM 0 HH12 ARG A 539 11.527 -2.924 8.271 1.00 52.31 H new ATOM 0 HH21 ARG A 539 14.186 -1.659 6.343 1.00 62.23 H new ATOM 0 HH22 ARG A 539 13.067 -1.352 7.676 1.00 62.23 H new ATOM 1606 N LEU A 540 15.993 -7.642 2.605 1.00 62.43 N ATOM 1607 CA LEU A 540 17.337 -7.699 3.085 1.00 41.34 C ATOM 1608 C LEU A 540 17.764 -6.265 3.297 1.00 35.43 C ATOM 1609 O LEU A 540 18.358 -5.655 2.406 1.00 63.02 O ATOM 1610 CB LEU A 540 18.271 -8.390 2.074 1.00 35.40 C ATOM 1611 CG LEU A 540 17.899 -9.817 1.658 1.00 4.41 C ATOM 1612 CD1 LEU A 540 18.863 -10.325 0.606 1.00 14.20 C ATOM 1613 CD2 LEU A 540 17.898 -10.749 2.857 1.00 54.14 C ATOM 0 H LEU A 540 15.887 -7.119 1.736 1.00 62.43 H new ATOM 0 HA LEU A 540 17.393 -8.282 4.004 1.00 41.34 H new ATOM 0 HB2 LEU A 540 18.315 -7.774 1.176 1.00 35.40 H new ATOM 0 HB3 LEU A 540 19.275 -8.410 2.497 1.00 35.40 H new ATOM 0 HG LEU A 540 16.893 -9.797 1.238 1.00 4.41 H new ATOM 0 HD11 LEU A 540 18.587 -11.340 0.319 1.00 14.20 H new ATOM 0 HD12 LEU A 540 18.821 -9.677 -0.269 1.00 14.20 H new ATOM 0 HD13 LEU A 540 19.875 -10.324 1.010 1.00 14.20 H new ATOM 0 HD21 LEU A 540 17.631 -11.756 2.535 1.00 54.14 H new ATOM 0 HD22 LEU A 540 18.890 -10.763 3.307 1.00 54.14 H new ATOM 0 HD23 LEU A 540 17.172 -10.398 3.590 1.00 54.14 H new ATOM 1625 N GLU A 541 17.368 -5.712 4.445 1.00 44.15 N ATOM 1626 CA GLU A 541 17.570 -4.303 4.799 1.00 53.23 C ATOM 1627 C GLU A 541 16.636 -3.405 3.986 1.00 4.31 C ATOM 1628 CB GLU A 541 19.023 -3.851 4.657 1.00 22.40 C ATOM 1629 CG GLU A 541 19.998 -4.555 5.574 1.00 3.03 C ATOM 1630 CD GLU A 541 21.410 -4.157 5.271 1.00 53.53 C ATOM 1631 OE1 GLU A 541 21.840 -3.053 5.675 1.00 32.23 O ATOM 1632 OE2 GLU A 541 22.116 -4.918 4.585 1.00 52.42 O ATOM 0 H GLU A 541 16.887 -6.242 5.172 1.00 44.15 H new ATOM 0 HA GLU A 541 17.323 -4.208 5.856 1.00 53.23 H new ATOM 0 HB2 GLU A 541 19.338 -4.007 3.625 1.00 22.40 H new ATOM 0 HB3 GLU A 541 19.076 -2.779 4.848 1.00 22.40 H new ATOM 0 HG2 GLU A 541 19.764 -4.315 6.611 1.00 3.03 H new ATOM 0 HG3 GLU A 541 19.890 -5.634 5.465 1.00 3.03 H new TER 1639 GLU A 541