USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 648 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 486 MET CE :methyl 161:sc= -0.0466 (180deg=-0.681) USER MOD Single : A 487 GLN : amide:sc= -2.47 K(o=-2.5,f=-3.9!) USER MOD Single : A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 503 HIS :FLIP no HD1:sc= -1.5 F(o=-2!,f=-1.5) USER MOD Single : A 510 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 518 TYR OH : rot 180:sc= 0 USER MOD Single : A 521 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 523 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0132) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HE2:sc= -1.05 K(o=-1,f=-2) USER MOD Single : A 529 SER OG : rot -92:sc= 0.0175 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 535 LYS NZ :NH3+ -169:sc= -0.0207 (180deg=-0.203) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= -1.02 K(o=-1,f=-2.6!) USER MOD Single : A 544 HIS : no HD1:sc= -0.0574 X(o=-0.057,f=-0.17) USER MOD Single : A 546 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 ASN : amide:sc= -2.3 K(o=-2.3,f=-3.3) USER MOD Single : A 553 LYS NZ :NH3+ 148:sc= -0.644 (180deg=-3.26!) USER MOD Single : A 555 MET CE :methyl -141:sc= 0 (180deg=-0.325) USER MOD Single : A 556 ASN : amide:sc= 0.5 X(o=0.5,f=0) USER MOD Single : A 557 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 558 GLN : amide:sc= -0.906 X(o=-0.91,f=-1.3) USER MOD Single : A 564 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 28 N ASP A 482 3.089 -3.633 -4.710 1.00 63.44 N ATOM 29 CA ASP A 482 3.794 -3.769 -5.980 1.00 11.30 C ATOM 30 C ASP A 482 2.940 -4.518 -6.998 1.00 51.43 C ATOM 31 O ASP A 482 2.925 -4.178 -8.181 1.00 41.15 O ATOM 32 CB ASP A 482 5.122 -4.498 -5.775 1.00 64.31 C ATOM 33 CG ASP A 482 6.115 -4.216 -6.885 1.00 44.33 C ATOM 34 OD1 ASP A 482 6.911 -5.120 -7.214 1.00 65.32 O ATOM 35 OD2 ASP A 482 6.096 -3.090 -7.426 1.00 32.41 O ATOM 0 HA ASP A 482 3.993 -2.769 -6.365 1.00 11.30 H new ATOM 0 HB2 ASP A 482 5.554 -4.198 -4.820 1.00 64.31 H new ATOM 0 HB3 ASP A 482 4.939 -5.571 -5.719 1.00 64.31 H new ATOM 40 N VAL A 483 2.230 -5.540 -6.530 1.00 40.54 N ATOM 41 CA VAL A 483 1.373 -6.337 -7.400 1.00 3.11 C ATOM 42 C VAL A 483 -0.080 -6.277 -6.944 1.00 53.13 C ATOM 43 O VAL A 483 -0.978 -5.990 -7.735 1.00 12.33 O ATOM 44 CB VAL A 483 1.827 -7.808 -7.439 1.00 22.31 C ATOM 45 CG1 VAL A 483 1.020 -8.589 -8.465 1.00 65.11 C ATOM 46 CG2 VAL A 483 3.316 -7.898 -7.738 1.00 70.34 C ATOM 0 H VAL A 483 2.231 -5.835 -5.554 1.00 40.54 H new ATOM 0 HA VAL A 483 1.454 -5.912 -8.401 1.00 3.11 H new ATOM 0 HB VAL A 483 1.649 -8.251 -6.459 1.00 22.31 H new ATOM 0 HG11 VAL A 483 1.355 -9.626 -8.478 1.00 65.11 H new ATOM 0 HG12 VAL A 483 -0.037 -8.552 -8.201 1.00 65.11 H new ATOM 0 HG13 VAL A 483 1.163 -8.149 -9.452 1.00 65.11 H new ATOM 0 HG21 VAL A 483 3.620 -8.945 -7.762 1.00 70.34 H new ATOM 0 HG22 VAL A 483 3.521 -7.438 -8.705 1.00 70.34 H new ATOM 0 HG23 VAL A 483 3.875 -7.376 -6.962 1.00 70.34 H new ATOM 56 N GLY A 484 -0.305 -6.550 -5.662 1.00 41.24 N ATOM 57 CA GLY A 484 -1.652 -6.521 -5.123 1.00 22.12 C ATOM 58 C GLY A 484 -2.060 -7.847 -4.511 1.00 43.33 C ATOM 59 O GLY A 484 -3.247 -8.109 -4.316 1.00 63.15 O ATOM 0 H GLY A 484 0.421 -6.791 -4.988 1.00 41.24 H new ATOM 0 HA2 GLY A 484 -1.721 -5.739 -4.367 1.00 22.12 H new ATOM 0 HA3 GLY A 484 -2.352 -6.260 -5.917 1.00 22.12 H new ATOM 63 N ASP A 485 -1.075 -8.685 -4.209 1.00 44.01 N ATOM 64 CA ASP A 485 -1.337 -9.991 -3.617 1.00 20.44 C ATOM 65 C ASP A 485 -2.258 -9.864 -2.407 1.00 24.42 C ATOM 66 O ASP A 485 -1.829 -9.451 -1.330 1.00 34.24 O ATOM 67 CB ASP A 485 -0.025 -10.662 -3.206 1.00 40.04 C ATOM 68 CG ASP A 485 -0.067 -12.168 -3.377 1.00 5.14 C ATOM 69 OD1 ASP A 485 -0.947 -12.810 -2.766 1.00 24.21 O ATOM 70 OD2 ASP A 485 0.780 -12.704 -4.121 1.00 4.00 O ATOM 0 H ASP A 485 -0.087 -8.483 -4.365 1.00 44.01 H new ATOM 0 HA ASP A 485 -1.833 -10.609 -4.366 1.00 20.44 H new ATOM 0 HB2 ASP A 485 0.791 -10.254 -3.803 1.00 40.04 H new ATOM 0 HB3 ASP A 485 0.191 -10.423 -2.165 1.00 40.04 H new ATOM 75 N MET A 486 -3.524 -10.221 -2.593 1.00 71.43 N ATOM 76 CA MET A 486 -4.505 -10.147 -1.517 1.00 30.22 C ATOM 77 C MET A 486 -5.229 -11.479 -1.348 1.00 23.40 C ATOM 78 O MET A 486 -5.889 -11.958 -2.270 1.00 3.21 O ATOM 79 CB MET A 486 -5.518 -9.035 -1.797 1.00 22.24 C ATOM 80 CG MET A 486 -6.039 -8.357 -0.540 1.00 23.33 C ATOM 81 SD MET A 486 -6.148 -6.566 -0.711 1.00 41.33 S ATOM 82 CE MET A 486 -5.679 -6.039 0.935 1.00 0.30 C ATOM 0 H MET A 486 -3.895 -10.565 -3.479 1.00 71.43 H new ATOM 0 HA MET A 486 -3.975 -9.922 -0.591 1.00 30.22 H new ATOM 0 HB2 MET A 486 -5.055 -8.286 -2.439 1.00 22.24 H new ATOM 0 HB3 MET A 486 -6.359 -9.452 -2.350 1.00 22.24 H new ATOM 0 HG2 MET A 486 -7.024 -8.756 -0.299 1.00 23.33 H new ATOM 0 HG3 MET A 486 -5.384 -8.599 0.297 1.00 23.33 H new ATOM 0 HE1 MET A 486 -5.372 -4.993 0.909 1.00 0.30 H new ATOM 0 HE2 MET A 486 -6.529 -6.151 1.609 1.00 0.30 H new ATOM 0 HE3 MET A 486 -4.851 -6.652 1.291 1.00 0.30 H new ATOM 92 N GLN A 487 -5.099 -12.072 -0.165 1.00 74.35 N ATOM 93 CA GLN A 487 -5.741 -13.350 0.122 1.00 2.21 C ATOM 94 C GLN A 487 -6.037 -13.487 1.612 1.00 62.01 C ATOM 95 O GLN A 487 -5.657 -12.631 2.413 1.00 75.25 O ATOM 96 CB GLN A 487 -4.853 -14.506 -0.342 1.00 54.12 C ATOM 97 CG GLN A 487 -4.423 -14.397 -1.796 1.00 41.40 C ATOM 98 CD GLN A 487 -3.541 -15.550 -2.232 1.00 4.22 C ATOM 99 OE1 GLN A 487 -2.766 -16.087 -1.440 1.00 64.21 O ATOM 100 NE2 GLN A 487 -3.654 -15.937 -3.497 1.00 1.01 N ATOM 0 H GLN A 487 -4.556 -11.689 0.609 1.00 74.35 H new ATOM 0 HA GLN A 487 -6.685 -13.385 -0.422 1.00 2.21 H new ATOM 0 HB2 GLN A 487 -3.965 -14.547 0.289 1.00 54.12 H new ATOM 0 HB3 GLN A 487 -5.389 -15.445 -0.200 1.00 54.12 H new ATOM 0 HG2 GLN A 487 -5.308 -14.362 -2.431 1.00 41.40 H new ATOM 0 HG3 GLN A 487 -3.887 -13.459 -1.943 1.00 41.40 H new ATOM 0 HE21 GLN A 487 -4.309 -15.463 -4.119 1.00 1.01 H new ATOM 0 HE22 GLN A 487 -3.085 -16.708 -3.847 1.00 1.01 H new ATOM 109 N LEU A 488 -6.717 -14.568 1.978 1.00 63.13 N ATOM 110 CA LEU A 488 -7.064 -14.818 3.372 1.00 14.23 C ATOM 111 C LEU A 488 -6.465 -16.135 3.856 1.00 52.54 C ATOM 112 O LEU A 488 -6.906 -17.213 3.456 1.00 45.44 O ATOM 113 CB LEU A 488 -8.584 -14.843 3.543 1.00 53.12 C ATOM 114 CG LEU A 488 -9.098 -14.845 4.983 1.00 52.01 C ATOM 115 CD1 LEU A 488 -8.789 -13.520 5.662 1.00 53.42 C ATOM 116 CD2 LEU A 488 -10.593 -15.127 5.015 1.00 32.23 C ATOM 0 H LEU A 488 -7.039 -15.285 1.328 1.00 63.13 H new ATOM 0 HA LEU A 488 -6.649 -14.009 3.974 1.00 14.23 H new ATOM 0 HB2 LEU A 488 -9.001 -13.976 3.031 1.00 53.12 H new ATOM 0 HB3 LEU A 488 -8.972 -15.728 3.039 1.00 53.12 H new ATOM 0 HG LEU A 488 -8.587 -15.638 5.530 1.00 52.01 H new ATOM 0 HD11 LEU A 488 -9.162 -13.540 6.686 1.00 53.42 H new ATOM 0 HD12 LEU A 488 -7.711 -13.359 5.672 1.00 53.42 H new ATOM 0 HD13 LEU A 488 -9.272 -12.710 5.116 1.00 53.42 H new ATOM 0 HD21 LEU A 488 -10.942 -15.125 6.048 1.00 32.23 H new ATOM 0 HD22 LEU A 488 -11.121 -14.357 4.452 1.00 32.23 H new ATOM 0 HD23 LEU A 488 -10.789 -16.102 4.568 1.00 32.23 H new ATOM 128 N TYR A 489 -5.460 -16.039 4.719 1.00 34.51 N ATOM 129 CA TYR A 489 -4.800 -17.223 5.257 1.00 34.12 C ATOM 130 C TYR A 489 -5.162 -17.429 6.725 1.00 13.40 C ATOM 131 O TYR A 489 -5.033 -16.516 7.541 1.00 34.24 O ATOM 132 CB TYR A 489 -3.283 -17.099 5.107 1.00 73.50 C ATOM 133 CG TYR A 489 -2.859 -16.137 4.021 1.00 2.42 C ATOM 134 CD1 TYR A 489 -2.734 -14.777 4.280 1.00 32.43 C ATOM 135 CD2 TYR A 489 -2.581 -16.587 2.736 1.00 12.32 C ATOM 136 CE1 TYR A 489 -2.347 -13.894 3.291 1.00 35.20 C ATOM 137 CE2 TYR A 489 -2.192 -15.711 1.741 1.00 13.11 C ATOM 138 CZ TYR A 489 -2.077 -14.366 2.023 1.00 14.32 C ATOM 139 OH TYR A 489 -1.690 -13.489 1.035 1.00 34.34 O ATOM 0 H TYR A 489 -5.085 -15.154 5.061 1.00 34.51 H new ATOM 0 HA TYR A 489 -5.145 -18.089 4.692 1.00 34.12 H new ATOM 0 HB2 TYR A 489 -2.858 -16.773 6.056 1.00 73.50 H new ATOM 0 HB3 TYR A 489 -2.866 -18.083 4.892 1.00 73.50 H new ATOM 0 HD1 TYR A 489 -2.943 -14.404 5.272 1.00 32.43 H new ATOM 0 HD2 TYR A 489 -2.671 -17.640 2.511 1.00 12.32 H new ATOM 0 HE1 TYR A 489 -2.256 -12.840 3.509 1.00 35.20 H new ATOM 0 HE2 TYR A 489 -1.979 -16.078 0.748 1.00 13.11 H new ATOM 0 HH TYR A 489 -1.537 -13.982 0.202 1.00 34.34 H new ATOM 149 N ARG A 490 -5.615 -18.634 7.053 1.00 74.34 N ATOM 150 CA ARG A 490 -5.997 -18.961 8.421 1.00 21.22 C ATOM 151 C ARG A 490 -4.970 -19.888 9.065 1.00 2.13 C ATOM 152 O ARG A 490 -4.570 -20.892 8.476 1.00 62.33 O ATOM 153 CB ARG A 490 -7.378 -19.618 8.445 1.00 32.22 C ATOM 154 CG ARG A 490 -7.449 -20.915 7.656 1.00 34.41 C ATOM 155 CD ARG A 490 -7.481 -22.126 8.576 1.00 51.11 C ATOM 156 NE ARG A 490 -6.820 -23.284 7.980 1.00 40.32 N ATOM 157 CZ ARG A 490 -7.008 -24.532 8.395 1.00 42.44 C ATOM 158 NH1 ARG A 490 -7.833 -24.782 9.402 1.00 42.31 N ATOM 159 NH2 ARG A 490 -6.370 -25.532 7.801 1.00 21.42 N ATOM 0 H ARG A 490 -5.727 -19.401 6.390 1.00 74.34 H new ATOM 0 HA ARG A 490 -6.034 -18.034 8.993 1.00 21.22 H new ATOM 0 HB2 ARG A 490 -7.659 -19.816 9.479 1.00 32.22 H new ATOM 0 HB3 ARG A 490 -8.111 -18.918 8.044 1.00 32.22 H new ATOM 0 HG2 ARG A 490 -8.339 -20.911 7.027 1.00 34.41 H new ATOM 0 HG3 ARG A 490 -6.589 -20.985 6.991 1.00 34.41 H new ATOM 0 HD2 ARG A 490 -6.995 -21.877 9.520 1.00 51.11 H new ATOM 0 HD3 ARG A 490 -8.516 -22.378 8.807 1.00 51.11 H new ATOM 0 HE ARG A 490 -6.179 -23.126 7.203 1.00 40.32 H new ATOM 0 HH11 ARG A 490 -8.325 -24.015 9.860 1.00 42.31 H new ATOM 0 HH12 ARG A 490 -7.975 -25.741 9.719 1.00 42.31 H new ATOM 0 HH21 ARG A 490 -5.735 -25.343 7.026 1.00 21.42 H new ATOM 0 HH22 ARG A 490 -6.514 -26.490 8.120 1.00 21.42 H new ATOM 173 N ILE A 491 -4.547 -19.543 10.277 1.00 73.21 N ATOM 174 CA ILE A 491 -3.568 -20.344 11.000 1.00 23.24 C ATOM 175 C ILE A 491 -4.246 -21.254 12.019 1.00 10.22 C ATOM 176 O ILE A 491 -5.421 -21.076 12.338 1.00 31.32 O ATOM 177 CB ILE A 491 -2.540 -19.456 11.726 1.00 63.20 C ATOM 178 CG1 ILE A 491 -3.217 -18.668 12.849 1.00 24.34 C ATOM 179 CG2 ILE A 491 -1.866 -18.512 10.741 1.00 73.30 C ATOM 180 CD1 ILE A 491 -2.250 -17.868 13.694 1.00 62.21 C ATOM 0 H ILE A 491 -4.867 -18.714 10.778 1.00 73.21 H new ATOM 0 HA ILE A 491 -3.051 -20.954 10.259 1.00 23.24 H new ATOM 0 HB ILE A 491 -1.776 -20.096 12.167 1.00 63.20 H new ATOM 0 HG12 ILE A 491 -3.953 -17.991 12.415 1.00 24.34 H new ATOM 0 HG13 ILE A 491 -3.761 -19.361 13.491 1.00 24.34 H new ATOM 0 HG21 ILE A 491 -1.142 -17.891 11.269 1.00 73.30 H new ATOM 0 HG22 ILE A 491 -1.354 -19.092 9.973 1.00 73.30 H new ATOM 0 HG23 ILE A 491 -2.618 -17.876 10.274 1.00 73.30 H new ATOM 0 HD11 ILE A 491 -2.800 -17.335 14.470 1.00 62.21 H new ATOM 0 HD12 ILE A 491 -1.529 -18.541 14.158 1.00 62.21 H new ATOM 0 HD13 ILE A 491 -1.724 -17.151 13.064 1.00 62.21 H new ATOM 192 N GLU A 492 -3.496 -22.227 12.527 1.00 13.13 N ATOM 193 CA GLU A 492 -4.026 -23.164 13.511 1.00 2.33 C ATOM 194 C GLU A 492 -3.714 -22.696 14.930 1.00 34.22 C ATOM 195 O GLU A 492 -3.211 -23.462 15.752 1.00 64.22 O ATOM 196 CB GLU A 492 -3.444 -24.560 13.284 1.00 62.35 C ATOM 197 CG GLU A 492 -4.196 -25.660 14.014 1.00 1.23 C ATOM 198 CD GLU A 492 -3.312 -26.843 14.357 1.00 62.10 C ATOM 199 OE1 GLU A 492 -2.988 -27.017 15.550 1.00 14.14 O ATOM 200 OE2 GLU A 492 -2.944 -27.596 13.431 1.00 44.43 O ATOM 0 H GLU A 492 -2.521 -22.387 12.274 1.00 13.13 H new ATOM 0 HA GLU A 492 -5.108 -23.205 13.389 1.00 2.33 H new ATOM 0 HB2 GLU A 492 -3.448 -24.776 12.216 1.00 62.35 H new ATOM 0 HB3 GLU A 492 -2.403 -24.567 13.607 1.00 62.35 H new ATOM 0 HG2 GLU A 492 -4.626 -25.255 14.930 1.00 1.23 H new ATOM 0 HG3 GLU A 492 -5.027 -25.999 13.395 1.00 1.23 H new ATOM 207 N VAL A 493 -4.017 -21.433 15.211 1.00 55.44 N ATOM 208 CA VAL A 493 -3.771 -20.862 16.529 1.00 0.14 C ATOM 209 C VAL A 493 -4.869 -19.877 16.916 1.00 21.40 C ATOM 210 O VAL A 493 -5.293 -19.054 16.106 1.00 61.52 O ATOM 211 CB VAL A 493 -2.410 -20.143 16.585 1.00 63.45 C ATOM 212 CG1 VAL A 493 -1.979 -19.924 18.027 1.00 74.21 C ATOM 213 CG2 VAL A 493 -1.359 -20.935 15.820 1.00 1.34 C ATOM 0 H VAL A 493 -4.434 -20.785 14.542 1.00 55.44 H new ATOM 0 HA VAL A 493 -3.765 -21.692 17.236 1.00 0.14 H new ATOM 0 HB VAL A 493 -2.514 -19.167 16.111 1.00 63.45 H new ATOM 0 HG11 VAL A 493 -1.015 -19.415 18.045 1.00 74.21 H new ATOM 0 HG12 VAL A 493 -2.722 -19.313 18.540 1.00 74.21 H new ATOM 0 HG13 VAL A 493 -1.890 -20.887 18.530 1.00 74.21 H new ATOM 0 HG21 VAL A 493 -0.403 -20.413 15.869 1.00 1.34 H new ATOM 0 HG22 VAL A 493 -1.255 -21.925 16.264 1.00 1.34 H new ATOM 0 HG23 VAL A 493 -1.665 -21.034 14.779 1.00 1.34 H new ATOM 223 N GLY A 494 -5.326 -19.968 18.162 1.00 45.54 N ATOM 224 CA GLY A 494 -6.370 -19.078 18.635 1.00 74.52 C ATOM 225 C GLY A 494 -6.204 -18.715 20.097 1.00 35.52 C ATOM 226 O GLY A 494 -5.172 -19.005 20.702 1.00 1.41 O ATOM 0 H GLY A 494 -4.992 -20.642 18.851 1.00 45.54 H new ATOM 0 HA2 GLY A 494 -6.367 -18.168 18.035 1.00 74.52 H new ATOM 0 HA3 GLY A 494 -7.341 -19.552 18.489 1.00 74.52 H new ATOM 230 N ARG A 495 -7.223 -18.079 20.666 1.00 3.24 N ATOM 231 CA ARG A 495 -7.184 -17.673 22.066 1.00 23.12 C ATOM 232 C ARG A 495 -6.878 -18.865 22.969 1.00 15.42 C ATOM 233 O ARG A 495 -6.118 -18.749 23.931 1.00 51.14 O ATOM 234 CB ARG A 495 -8.515 -17.039 22.473 1.00 72.21 C ATOM 235 CG ARG A 495 -9.728 -17.874 22.095 1.00 62.11 C ATOM 236 CD ARG A 495 -11.021 -17.220 22.557 1.00 45.10 C ATOM 237 NE ARG A 495 -11.171 -17.269 24.009 1.00 64.52 N ATOM 238 CZ ARG A 495 -12.286 -16.929 24.644 1.00 11.34 C ATOM 239 NH1 ARG A 495 -13.344 -16.516 23.959 1.00 23.24 N ATOM 240 NH2 ARG A 495 -12.345 -17.001 25.968 1.00 14.30 N ATOM 0 H ARG A 495 -8.085 -17.834 20.179 1.00 3.24 H new ATOM 0 HA ARG A 495 -6.389 -16.937 22.183 1.00 23.12 H new ATOM 0 HB2 ARG A 495 -8.517 -16.878 23.551 1.00 72.21 H new ATOM 0 HB3 ARG A 495 -8.599 -16.058 22.004 1.00 72.21 H new ATOM 0 HG2 ARG A 495 -9.754 -18.011 21.014 1.00 62.11 H new ATOM 0 HG3 ARG A 495 -9.641 -18.865 22.540 1.00 62.11 H new ATOM 0 HD2 ARG A 495 -11.041 -16.182 22.225 1.00 45.10 H new ATOM 0 HD3 ARG A 495 -11.868 -17.721 22.088 1.00 45.10 H new ATOM 0 HE ARG A 495 -10.375 -17.582 24.566 1.00 64.52 H new ATOM 0 HH11 ARG A 495 -13.302 -16.459 22.941 1.00 23.24 H new ATOM 0 HH12 ARG A 495 -14.199 -16.255 24.450 1.00 23.24 H new ATOM 0 HH21 ARG A 495 -11.533 -17.318 26.498 1.00 14.30 H new ATOM 0 HH22 ARG A 495 -13.202 -16.740 26.455 1.00 14.30 H new ATOM 254 N ASP A 496 -7.477 -20.008 22.654 1.00 44.05 N ATOM 255 CA ASP A 496 -7.269 -21.221 23.436 1.00 64.13 C ATOM 256 C ASP A 496 -5.829 -21.709 23.309 1.00 61.32 C ATOM 257 O ASP A 496 -5.351 -22.484 24.137 1.00 25.32 O ATOM 258 CB ASP A 496 -8.234 -22.317 22.982 1.00 21.53 C ATOM 259 CG ASP A 496 -8.636 -23.240 24.116 1.00 14.44 C ATOM 260 OD1 ASP A 496 -7.816 -23.442 25.037 1.00 54.14 O ATOM 261 OD2 ASP A 496 -9.772 -23.758 24.084 1.00 22.22 O ATOM 0 H ASP A 496 -8.111 -20.120 21.863 1.00 44.05 H new ATOM 0 HA ASP A 496 -7.463 -20.987 24.483 1.00 64.13 H new ATOM 0 HB2 ASP A 496 -9.127 -21.858 22.557 1.00 21.53 H new ATOM 0 HB3 ASP A 496 -7.768 -22.902 22.189 1.00 21.53 H new ATOM 266 N ASP A 497 -5.144 -21.252 22.266 1.00 12.45 N ATOM 267 CA ASP A 497 -3.759 -21.642 22.031 1.00 41.42 C ATOM 268 C ASP A 497 -2.798 -20.650 22.678 1.00 5.31 C ATOM 269 O ASP A 497 -1.778 -21.038 23.246 1.00 63.42 O ATOM 270 CB ASP A 497 -3.481 -21.734 20.530 1.00 72.54 C ATOM 271 CG ASP A 497 -2.297 -22.626 20.214 1.00 23.50 C ATOM 272 OD1 ASP A 497 -1.148 -22.184 20.425 1.00 63.23 O ATOM 273 OD2 ASP A 497 -2.519 -23.767 19.757 1.00 24.23 O ATOM 0 H ASP A 497 -5.526 -20.611 21.570 1.00 12.45 H new ATOM 0 HA ASP A 497 -3.601 -22.621 22.483 1.00 41.42 H new ATOM 0 HB2 ASP A 497 -4.366 -22.117 20.022 1.00 72.54 H new ATOM 0 HB3 ASP A 497 -3.295 -20.735 20.136 1.00 72.54 H new ATOM 278 N GLY A 498 -3.130 -19.365 22.587 1.00 30.43 N ATOM 279 CA GLY A 498 -2.285 -18.338 23.167 1.00 14.32 C ATOM 280 C GLY A 498 -2.041 -17.183 22.216 1.00 62.21 C ATOM 281 O GLY A 498 -0.972 -16.572 22.232 1.00 55.32 O ATOM 0 H GLY A 498 -3.969 -19.018 22.122 1.00 30.43 H new ATOM 0 HA2 GLY A 498 -2.749 -17.962 24.079 1.00 14.32 H new ATOM 0 HA3 GLY A 498 -1.329 -18.777 23.453 1.00 14.32 H new ATOM 285 N VAL A 499 -3.033 -16.884 21.383 1.00 63.41 N ATOM 286 CA VAL A 499 -2.920 -15.796 20.419 1.00 12.14 C ATOM 287 C VAL A 499 -4.176 -14.931 20.418 1.00 22.21 C ATOM 288 O VAL A 499 -5.273 -15.414 20.694 1.00 75.01 O ATOM 289 CB VAL A 499 -2.676 -16.330 18.995 1.00 14.14 C ATOM 290 CG1 VAL A 499 -3.969 -16.861 18.395 1.00 14.14 C ATOM 291 CG2 VAL A 499 -2.077 -15.244 18.115 1.00 51.31 C ATOM 0 H VAL A 499 -3.924 -17.380 21.356 1.00 63.41 H new ATOM 0 HA VAL A 499 -2.066 -15.191 20.723 1.00 12.14 H new ATOM 0 HB VAL A 499 -1.965 -17.154 19.051 1.00 14.14 H new ATOM 0 HG11 VAL A 499 -3.777 -17.234 17.389 1.00 14.14 H new ATOM 0 HG12 VAL A 499 -4.352 -17.671 19.015 1.00 14.14 H new ATOM 0 HG13 VAL A 499 -4.706 -16.059 18.350 1.00 14.14 H new ATOM 0 HG21 VAL A 499 -1.911 -15.638 17.112 1.00 51.31 H new ATOM 0 HG22 VAL A 499 -2.763 -14.398 18.063 1.00 51.31 H new ATOM 0 HG23 VAL A 499 -1.127 -14.916 18.538 1.00 51.31 H new ATOM 301 N GLU A 500 -4.005 -13.650 20.105 1.00 34.43 N ATOM 302 CA GLU A 500 -5.126 -12.718 20.069 1.00 70.24 C ATOM 303 C GLU A 500 -5.178 -11.982 18.733 1.00 43.11 C ATOM 304 O GLU A 500 -4.424 -12.292 17.811 1.00 64.24 O ATOM 305 CB GLU A 500 -5.018 -11.711 21.215 1.00 42.40 C ATOM 306 CG GLU A 500 -4.574 -12.330 22.530 1.00 54.22 C ATOM 307 CD GLU A 500 -5.133 -11.600 23.736 1.00 62.10 C ATOM 308 OE1 GLU A 500 -5.734 -10.521 23.550 1.00 70.30 O ATOM 309 OE2 GLU A 500 -4.969 -12.107 24.865 1.00 23.02 O ATOM 0 H GLU A 500 -3.103 -13.235 19.873 1.00 34.43 H new ATOM 0 HA GLU A 500 -6.046 -13.291 20.185 1.00 70.24 H new ATOM 0 HB2 GLU A 500 -4.312 -10.929 20.935 1.00 42.40 H new ATOM 0 HB3 GLU A 500 -5.986 -11.231 21.358 1.00 42.40 H new ATOM 0 HG2 GLU A 500 -4.891 -13.372 22.562 1.00 54.22 H new ATOM 0 HG3 GLU A 500 -3.485 -12.326 22.580 1.00 54.22 H new ATOM 316 N VAL A 501 -6.074 -11.005 18.637 1.00 43.32 N ATOM 317 CA VAL A 501 -6.225 -10.223 17.415 1.00 24.22 C ATOM 318 C VAL A 501 -5.099 -9.205 17.272 1.00 52.21 C ATOM 319 O VAL A 501 -4.696 -8.863 16.160 1.00 2.52 O ATOM 320 CB VAL A 501 -7.576 -9.486 17.384 1.00 55.11 C ATOM 321 CG1 VAL A 501 -7.694 -8.638 16.126 1.00 24.15 C ATOM 322 CG2 VAL A 501 -8.726 -10.478 17.477 1.00 11.31 C ATOM 0 H VAL A 501 -6.706 -10.736 19.391 1.00 43.32 H new ATOM 0 HA VAL A 501 -6.184 -10.925 16.582 1.00 24.22 H new ATOM 0 HB VAL A 501 -7.627 -8.822 18.247 1.00 55.11 H new ATOM 0 HG11 VAL A 501 -8.656 -8.125 16.122 1.00 24.15 H new ATOM 0 HG12 VAL A 501 -6.890 -7.902 16.106 1.00 24.15 H new ATOM 0 HG13 VAL A 501 -7.621 -9.279 15.247 1.00 24.15 H new ATOM 0 HG21 VAL A 501 -9.674 -9.940 17.454 1.00 11.31 H new ATOM 0 HG22 VAL A 501 -8.680 -11.168 16.635 1.00 11.31 H new ATOM 0 HG23 VAL A 501 -8.649 -11.038 18.409 1.00 11.31 H new ATOM 332 N ARG A 502 -4.596 -8.724 18.404 1.00 22.11 N ATOM 333 CA ARG A 502 -3.517 -7.744 18.405 1.00 42.21 C ATOM 334 C ARG A 502 -2.156 -8.433 18.398 1.00 24.43 C ATOM 335 O ARG A 502 -1.115 -7.776 18.352 1.00 71.33 O ATOM 336 CB ARG A 502 -3.631 -6.829 19.626 1.00 70.11 C ATOM 337 CG ARG A 502 -3.675 -7.579 20.947 1.00 75.51 C ATOM 338 CD ARG A 502 -3.328 -6.671 22.116 1.00 42.23 C ATOM 339 NE ARG A 502 -4.416 -5.751 22.436 1.00 2.31 N ATOM 340 CZ ARG A 502 -4.447 -5.003 23.533 1.00 5.25 C ATOM 341 NH1 ARG A 502 -3.454 -5.066 24.411 1.00 52.44 N ATOM 342 NH2 ARG A 502 -5.471 -4.189 23.755 1.00 72.40 N ATOM 0 H ARG A 502 -4.919 -8.997 19.332 1.00 22.11 H new ATOM 0 HA ARG A 502 -3.605 -7.143 17.500 1.00 42.21 H new ATOM 0 HB2 ARG A 502 -2.784 -6.143 19.636 1.00 70.11 H new ATOM 0 HB3 ARG A 502 -4.532 -6.222 19.532 1.00 70.11 H new ATOM 0 HG2 ARG A 502 -4.670 -8.000 21.095 1.00 75.51 H new ATOM 0 HG3 ARG A 502 -2.977 -8.415 20.915 1.00 75.51 H new ATOM 0 HD2 ARG A 502 -3.098 -7.279 22.991 1.00 42.23 H new ATOM 0 HD3 ARG A 502 -2.430 -6.101 21.878 1.00 42.23 H new ATOM 0 HE ARG A 502 -5.195 -5.679 21.781 1.00 2.31 H new ATOM 0 HH11 ARG A 502 -2.665 -5.690 24.244 1.00 52.44 H new ATOM 0 HH12 ARG A 502 -3.480 -4.490 25.253 1.00 52.44 H new ATOM 0 HH21 ARG A 502 -6.236 -4.137 23.083 1.00 72.40 H new ATOM 0 HH22 ARG A 502 -5.493 -3.615 24.598 1.00 72.40 H new ATOM 356 N HIS A 503 -2.171 -9.762 18.446 1.00 43.23 N ATOM 357 CA HIS A 503 -0.938 -10.541 18.445 1.00 4.11 C ATOM 358 C HIS A 503 -0.433 -10.758 17.022 1.00 42.12 C ATOM 359 O HIS A 503 0.695 -10.392 16.691 1.00 65.22 O ATOM 360 CB HIS A 503 -1.161 -11.889 19.131 1.00 70.24 C ATOM 361 CG HIS A 503 0.070 -12.442 19.781 1.00 51.23 C ATOM 362 ND1 HIS A 503 0.215 -13.340 20.783 1.00 42.33 N flip ATOM 363 CD2 HIS A 503 1.346 -12.073 19.412 1.00 74.34 C flip ATOM 364 CE1 HIS A 503 1.562 -13.497 20.998 1.00 13.43 C flip ATOM 365 NE2 HIS A 503 2.223 -12.722 20.157 1.00 73.13 N flip ATOM 0 H HIS A 503 -3.023 -10.321 18.486 1.00 43.23 H new ATOM 0 HA HIS A 503 -0.183 -9.981 18.998 1.00 4.11 H new ATOM 0 HB2 HIS A 503 -1.941 -11.779 19.884 1.00 70.24 H new ATOM 0 HB3 HIS A 503 -1.526 -12.606 18.395 1.00 70.24 H new ATOM 0 HD2 HIS A 503 1.591 -11.364 18.635 1.00 74.34 H new ATOM 0 HE1 HIS A 503 2.008 -14.148 21.735 1.00 13.43 H new ATOM 0 HE2 HIS A 503 3.238 -12.639 20.094 1.00 73.13 H new ATOM 373 N ILE A 504 -1.275 -11.355 16.185 1.00 22.12 N ATOM 374 CA ILE A 504 -0.913 -11.620 14.798 1.00 35.12 C ATOM 375 C ILE A 504 -0.831 -10.327 13.995 1.00 53.42 C ATOM 376 O ILE A 504 -0.123 -10.251 12.991 1.00 53.44 O ATOM 377 CB ILE A 504 -1.924 -12.567 14.124 1.00 12.41 C ATOM 378 CG1 ILE A 504 -3.196 -11.805 13.747 1.00 53.42 C ATOM 379 CG2 ILE A 504 -2.252 -13.733 15.044 1.00 72.21 C ATOM 380 CD1 ILE A 504 -4.039 -11.407 14.939 1.00 64.23 C ATOM 0 H ILE A 504 -2.212 -11.664 16.443 1.00 22.12 H new ATOM 0 HA ILE A 504 0.066 -12.098 14.813 1.00 35.12 H new ATOM 0 HB ILE A 504 -1.477 -12.963 13.213 1.00 12.41 H new ATOM 0 HG12 ILE A 504 -2.921 -10.909 13.191 1.00 53.42 H new ATOM 0 HG13 ILE A 504 -3.795 -12.423 13.079 1.00 53.42 H new ATOM 0 HG21 ILE A 504 -2.968 -14.393 14.554 1.00 72.21 H new ATOM 0 HG22 ILE A 504 -1.341 -14.288 15.268 1.00 72.21 H new ATOM 0 HG23 ILE A 504 -2.683 -13.355 15.971 1.00 72.21 H new ATOM 0 HD11 ILE A 504 -4.924 -10.871 14.596 1.00 64.23 H new ATOM 0 HD12 ILE A 504 -4.344 -12.301 15.483 1.00 64.23 H new ATOM 0 HD13 ILE A 504 -3.457 -10.762 15.597 1.00 64.23 H new ATOM 392 N VAL A 505 -1.559 -9.310 14.445 1.00 54.51 N ATOM 393 CA VAL A 505 -1.567 -8.017 13.770 1.00 60.10 C ATOM 394 C VAL A 505 -0.330 -7.202 14.131 1.00 54.44 C ATOM 395 O VAL A 505 0.435 -6.796 13.257 1.00 23.31 O ATOM 396 CB VAL A 505 -2.826 -7.205 14.127 1.00 51.01 C ATOM 397 CG1 VAL A 505 -2.698 -5.774 13.627 1.00 74.22 C ATOM 398 CG2 VAL A 505 -4.069 -7.870 13.554 1.00 44.22 C ATOM 0 H VAL A 505 -2.151 -9.356 15.274 1.00 54.51 H new ATOM 0 HA VAL A 505 -1.566 -8.219 12.699 1.00 60.10 H new ATOM 0 HB VAL A 505 -2.924 -7.178 15.212 1.00 51.01 H new ATOM 0 HG11 VAL A 505 -3.597 -5.216 13.888 1.00 74.22 H new ATOM 0 HG12 VAL A 505 -1.831 -5.303 14.090 1.00 74.22 H new ATOM 0 HG13 VAL A 505 -2.575 -5.777 12.544 1.00 74.22 H new ATOM 0 HG21 VAL A 505 -4.949 -7.283 13.816 1.00 44.22 H new ATOM 0 HG22 VAL A 505 -3.982 -7.930 12.469 1.00 44.22 H new ATOM 0 HG23 VAL A 505 -4.167 -8.874 13.966 1.00 44.22 H new ATOM 408 N GLY A 506 -0.141 -6.965 15.425 1.00 11.52 N ATOM 409 CA GLY A 506 1.005 -6.198 15.879 1.00 33.43 C ATOM 410 C GLY A 506 2.322 -6.849 15.507 1.00 71.34 C ATOM 411 O GLY A 506 3.359 -6.188 15.465 1.00 53.15 O ATOM 0 H GLY A 506 -0.760 -7.290 16.167 1.00 11.52 H new ATOM 0 HA2 GLY A 506 0.963 -5.198 15.448 1.00 33.43 H new ATOM 0 HA3 GLY A 506 0.954 -6.081 16.961 1.00 33.43 H new ATOM 415 N ALA A 507 2.282 -8.150 15.237 1.00 70.10 N ATOM 416 CA ALA A 507 3.481 -8.890 14.866 1.00 64.51 C ATOM 417 C ALA A 507 3.907 -8.566 13.438 1.00 60.11 C ATOM 418 O ALA A 507 5.033 -8.127 13.200 1.00 32.45 O ATOM 419 CB ALA A 507 3.248 -10.386 15.022 1.00 2.23 C ATOM 0 H ALA A 507 1.432 -8.713 15.268 1.00 70.10 H new ATOM 0 HA ALA A 507 4.286 -8.587 15.535 1.00 64.51 H new ATOM 0 HB1 ALA A 507 4.152 -10.926 14.741 1.00 2.23 H new ATOM 0 HB2 ALA A 507 2.999 -10.609 16.059 1.00 2.23 H new ATOM 0 HB3 ALA A 507 2.426 -10.695 14.377 1.00 2.23 H new ATOM 425 N ILE A 508 3.001 -8.785 12.491 1.00 32.12 N ATOM 426 CA ILE A 508 3.283 -8.515 11.087 1.00 62.30 C ATOM 427 C ILE A 508 3.332 -7.016 10.814 1.00 15.21 C ATOM 428 O ILE A 508 4.012 -6.564 9.894 1.00 5.43 O ATOM 429 CB ILE A 508 2.229 -9.159 10.167 1.00 64.41 C ATOM 430 CG1 ILE A 508 0.844 -8.579 10.458 1.00 72.50 C ATOM 431 CG2 ILE A 508 2.225 -10.671 10.343 1.00 11.53 C ATOM 432 CD1 ILE A 508 0.501 -7.376 9.608 1.00 65.35 C ATOM 0 H ILE A 508 2.065 -9.149 12.671 1.00 32.12 H new ATOM 0 HA ILE A 508 4.258 -8.953 10.871 1.00 62.30 H new ATOM 0 HB ILE A 508 2.486 -8.934 9.132 1.00 64.41 H new ATOM 0 HG12 ILE A 508 0.094 -9.353 10.297 1.00 72.50 H new ATOM 0 HG13 ILE A 508 0.791 -8.298 11.510 1.00 72.50 H new ATOM 0 HG21 ILE A 508 1.475 -11.112 9.686 1.00 11.53 H new ATOM 0 HG22 ILE A 508 3.208 -11.069 10.090 1.00 11.53 H new ATOM 0 HG23 ILE A 508 1.989 -10.916 11.379 1.00 11.53 H new ATOM 0 HD11 ILE A 508 -0.495 -7.018 9.869 1.00 65.35 H new ATOM 0 HD12 ILE A 508 1.229 -6.585 9.787 1.00 65.35 H new ATOM 0 HD13 ILE A 508 0.521 -7.657 8.555 1.00 65.35 H new ATOM 444 N ALA A 509 2.605 -6.249 11.621 1.00 24.43 N ATOM 445 CA ALA A 509 2.568 -4.800 11.470 1.00 63.13 C ATOM 446 C ALA A 509 3.845 -4.159 12.003 1.00 21.53 C ATOM 447 O ALA A 509 4.218 -3.062 11.592 1.00 2.44 O ATOM 448 CB ALA A 509 1.351 -4.226 12.179 1.00 30.25 C ATOM 0 H ALA A 509 2.034 -6.608 12.386 1.00 24.43 H new ATOM 0 HA ALA A 509 2.496 -4.573 10.406 1.00 63.13 H new ATOM 0 HB1 ALA A 509 1.337 -3.143 12.058 1.00 30.25 H new ATOM 0 HB2 ALA A 509 0.445 -4.652 11.748 1.00 30.25 H new ATOM 0 HB3 ALA A 509 1.398 -4.472 13.240 1.00 30.25 H new ATOM 454 N ASN A 510 4.510 -4.853 12.922 1.00 44.34 N ATOM 455 CA ASN A 510 5.745 -4.350 13.513 1.00 63.15 C ATOM 456 C ASN A 510 6.962 -4.866 12.751 1.00 43.04 C ATOM 457 O ASN A 510 8.005 -4.213 12.712 1.00 33.32 O ATOM 458 CB ASN A 510 5.837 -4.764 14.983 1.00 40.23 C ATOM 459 CG ASN A 510 6.995 -4.097 15.700 1.00 60.02 C ATOM 460 OD1 ASN A 510 7.366 -2.966 15.385 1.00 22.21 O ATOM 461 ND2 ASN A 510 7.572 -4.797 16.670 1.00 40.04 N ATOM 0 H ASN A 510 4.215 -5.764 13.273 1.00 44.34 H new ATOM 0 HA ASN A 510 5.732 -3.262 13.449 1.00 63.15 H new ATOM 0 HB2 ASN A 510 4.905 -4.510 15.488 1.00 40.23 H new ATOM 0 HB3 ASN A 510 5.949 -5.846 15.047 1.00 40.23 H new ATOM 0 HD21 ASN A 510 8.356 -4.400 17.188 1.00 40.04 H new ATOM 0 HD22 ASN A 510 7.231 -5.731 16.897 1.00 40.04 H new ATOM 468 N GLU A 511 6.820 -6.041 12.145 1.00 24.14 N ATOM 469 CA GLU A 511 7.909 -6.644 11.385 1.00 74.22 C ATOM 470 C GLU A 511 8.202 -5.839 10.122 1.00 14.43 C ATOM 471 O GLU A 511 9.357 -5.561 9.804 1.00 61.30 O ATOM 472 CB GLU A 511 7.562 -8.087 11.013 1.00 30.41 C ATOM 473 CG GLU A 511 7.811 -9.081 12.135 1.00 62.51 C ATOM 474 CD GLU A 511 9.272 -9.156 12.534 1.00 21.50 C ATOM 475 OE1 GLU A 511 10.137 -8.933 11.661 1.00 21.02 O ATOM 476 OE2 GLU A 511 9.551 -9.439 13.718 1.00 14.31 O ATOM 0 H GLU A 511 5.963 -6.593 12.166 1.00 24.14 H new ATOM 0 HA GLU A 511 8.801 -6.642 12.012 1.00 74.22 H new ATOM 0 HB2 GLU A 511 6.513 -8.136 10.722 1.00 30.41 H new ATOM 0 HB3 GLU A 511 8.149 -8.380 10.142 1.00 30.41 H new ATOM 0 HG2 GLU A 511 7.215 -8.800 13.003 1.00 62.51 H new ATOM 0 HG3 GLU A 511 7.472 -10.069 11.822 1.00 62.51 H new ATOM 483 N GLY A 512 7.145 -5.466 9.406 1.00 31.22 N ATOM 484 CA GLY A 512 7.309 -4.697 8.187 1.00 70.15 C ATOM 485 C GLY A 512 6.685 -3.319 8.282 1.00 45.21 C ATOM 486 O GLY A 512 6.616 -2.735 9.364 1.00 70.03 O ATOM 0 H GLY A 512 6.178 -5.683 9.649 1.00 31.22 H new ATOM 0 HA2 GLY A 512 8.371 -4.597 7.965 1.00 70.15 H new ATOM 0 HA3 GLY A 512 6.859 -5.240 7.356 1.00 70.15 H new ATOM 490 N ASP A 513 6.232 -2.796 7.148 1.00 64.53 N ATOM 491 CA ASP A 513 5.612 -1.477 7.107 1.00 21.35 C ATOM 492 C ASP A 513 4.105 -1.579 7.323 1.00 42.42 C ATOM 493 O ASP A 513 3.432 -0.573 7.548 1.00 12.34 O ATOM 494 CB ASP A 513 5.904 -0.794 5.771 1.00 51.51 C ATOM 495 CG ASP A 513 5.972 0.716 5.895 1.00 21.15 C ATOM 496 OD1 ASP A 513 5.398 1.409 5.030 1.00 33.30 O ATOM 497 OD2 ASP A 513 6.601 1.204 6.858 1.00 53.30 O ATOM 0 H ASP A 513 6.283 -3.266 6.244 1.00 64.53 H new ATOM 0 HA ASP A 513 6.037 -0.877 7.912 1.00 21.35 H new ATOM 0 HB2 ASP A 513 6.849 -1.166 5.375 1.00 51.51 H new ATOM 0 HB3 ASP A 513 5.130 -1.062 5.052 1.00 51.51 H new ATOM 502 N ILE A 514 3.583 -2.798 7.251 1.00 61.34 N ATOM 503 CA ILE A 514 2.156 -3.030 7.438 1.00 63.34 C ATOM 504 C ILE A 514 1.658 -2.381 8.724 1.00 31.24 C ATOM 505 O ILE A 514 2.362 -2.360 9.734 1.00 51.41 O ATOM 506 CB ILE A 514 1.831 -4.535 7.476 1.00 72.15 C ATOM 507 CG1 ILE A 514 2.277 -5.209 6.176 1.00 1.51 C ATOM 508 CG2 ILE A 514 0.342 -4.749 7.705 1.00 22.44 C ATOM 509 CD1 ILE A 514 2.510 -6.697 6.316 1.00 45.50 C ATOM 0 H ILE A 514 4.127 -3.641 7.065 1.00 61.34 H new ATOM 0 HA ILE A 514 1.648 -2.578 6.586 1.00 63.34 H new ATOM 0 HB ILE A 514 2.376 -4.988 8.304 1.00 72.15 H new ATOM 0 HG12 ILE A 514 1.521 -5.038 5.410 1.00 1.51 H new ATOM 0 HG13 ILE A 514 3.196 -4.737 5.828 1.00 1.51 H new ATOM 0 HG21 ILE A 514 0.127 -5.817 7.729 1.00 22.44 H new ATOM 0 HG22 ILE A 514 0.051 -4.299 8.654 1.00 22.44 H new ATOM 0 HG23 ILE A 514 -0.221 -4.284 6.896 1.00 22.44 H new ATOM 0 HD11 ILE A 514 2.824 -7.108 5.356 1.00 45.50 H new ATOM 0 HD12 ILE A 514 3.288 -6.875 7.059 1.00 45.50 H new ATOM 0 HD13 ILE A 514 1.587 -7.182 6.634 1.00 45.50 H new ATOM 521 N SER A 515 0.438 -1.854 8.681 1.00 23.51 N ATOM 522 CA SER A 515 -0.155 -1.203 9.843 1.00 5.21 C ATOM 523 C SER A 515 -1.395 -1.956 10.315 1.00 65.13 C ATOM 524 O SER A 515 -1.878 -2.863 9.638 1.00 71.43 O ATOM 525 CB SER A 515 -0.519 0.245 9.511 1.00 12.52 C ATOM 526 OG SER A 515 -0.336 1.088 10.636 1.00 53.01 O ATOM 0 H SER A 515 -0.159 -1.865 7.854 1.00 23.51 H new ATOM 0 HA SER A 515 0.580 -1.211 10.648 1.00 5.21 H new ATOM 0 HB2 SER A 515 0.097 0.598 8.684 1.00 12.52 H new ATOM 0 HB3 SER A 515 -1.556 0.296 9.180 1.00 12.52 H new ATOM 0 HG SER A 515 -0.574 2.008 10.397 1.00 53.01 H new ATOM 532 N SER A 516 -1.904 -1.573 11.481 1.00 11.10 N ATOM 533 CA SER A 516 -3.086 -2.214 12.047 1.00 44.24 C ATOM 534 C SER A 516 -4.317 -1.936 11.190 1.00 11.50 C ATOM 535 O SER A 516 -5.299 -2.677 11.235 1.00 24.23 O ATOM 536 CB SER A 516 -3.323 -1.723 13.476 1.00 50.00 C ATOM 537 OG SER A 516 -4.477 -2.325 14.037 1.00 63.11 O ATOM 0 H SER A 516 -1.517 -0.822 12.053 1.00 11.10 H new ATOM 0 HA SER A 516 -2.913 -3.290 12.065 1.00 44.24 H new ATOM 0 HB2 SER A 516 -2.453 -1.953 14.092 1.00 50.00 H new ATOM 0 HB3 SER A 516 -3.437 -0.639 13.477 1.00 50.00 H new ATOM 0 HG SER A 516 -4.606 -1.996 14.951 1.00 63.11 H new ATOM 543 N ARG A 517 -4.257 -0.861 10.410 1.00 60.20 N ATOM 544 CA ARG A 517 -5.367 -0.483 9.544 1.00 61.14 C ATOM 545 C ARG A 517 -5.154 -1.008 8.127 1.00 42.23 C ATOM 546 O ARG A 517 -6.105 -1.393 7.447 1.00 53.44 O ATOM 547 CB ARG A 517 -5.526 1.038 9.517 1.00 44.20 C ATOM 548 CG ARG A 517 -4.238 1.779 9.196 1.00 0.40 C ATOM 549 CD ARG A 517 -4.486 3.266 8.994 1.00 14.03 C ATOM 550 NE ARG A 517 -3.339 4.073 9.401 1.00 31.21 N ATOM 551 CZ ARG A 517 -3.133 5.318 8.988 1.00 42.33 C ATOM 552 NH1 ARG A 517 -3.993 5.897 8.161 1.00 65.45 N ATOM 553 NH2 ARG A 517 -2.065 5.988 9.402 1.00 20.04 N ATOM 0 H ARG A 517 -3.452 -0.237 10.360 1.00 60.20 H new ATOM 0 HA ARG A 517 -6.277 -0.929 9.946 1.00 61.14 H new ATOM 0 HB2 ARG A 517 -6.282 1.303 8.777 1.00 44.20 H new ATOM 0 HB3 ARG A 517 -5.897 1.373 10.486 1.00 44.20 H new ATOM 0 HG2 ARG A 517 -3.523 1.635 10.006 1.00 0.40 H new ATOM 0 HG3 ARG A 517 -3.790 1.358 8.296 1.00 0.40 H new ATOM 0 HD2 ARG A 517 -4.709 3.457 7.944 1.00 14.03 H new ATOM 0 HD3 ARG A 517 -5.363 3.568 9.566 1.00 14.03 H new ATOM 0 HE ARG A 517 -2.659 3.657 10.037 1.00 31.21 H new ATOM 0 HH11 ARG A 517 -4.815 5.386 7.840 1.00 65.45 H new ATOM 0 HH12 ARG A 517 -3.832 6.854 7.845 1.00 65.45 H new ATOM 0 HH21 ARG A 517 -1.401 5.547 10.038 1.00 20.04 H new ATOM 0 HH22 ARG A 517 -1.908 6.944 9.084 1.00 20.04 H new ATOM 567 N TYR A 518 -3.900 -1.020 7.688 1.00 0.23 N ATOM 568 CA TYR A 518 -3.562 -1.494 6.352 1.00 71.24 C ATOM 569 C TYR A 518 -4.029 -2.932 6.150 1.00 74.43 C ATOM 570 O TYR A 518 -4.447 -3.313 5.056 1.00 70.23 O ATOM 571 CB TYR A 518 -2.053 -1.399 6.120 1.00 31.22 C ATOM 572 CG TYR A 518 -1.681 -0.696 4.834 1.00 22.23 C ATOM 573 CD1 TYR A 518 -2.245 -1.076 3.623 1.00 71.20 C ATOM 574 CD2 TYR A 518 -0.765 0.349 4.831 1.00 31.12 C ATOM 575 CE1 TYR A 518 -1.907 -0.437 2.446 1.00 72.22 C ATOM 576 CE2 TYR A 518 -0.422 0.995 3.659 1.00 73.30 C ATOM 577 CZ TYR A 518 -0.996 0.598 2.469 1.00 64.30 C ATOM 578 OH TYR A 518 -0.657 1.238 1.299 1.00 74.33 O ATOM 0 H TYR A 518 -3.101 -0.707 8.239 1.00 0.23 H new ATOM 0 HA TYR A 518 -4.074 -0.859 5.629 1.00 71.24 H new ATOM 0 HB2 TYR A 518 -1.598 -0.871 6.958 1.00 31.22 H new ATOM 0 HB3 TYR A 518 -1.631 -2.404 6.110 1.00 31.22 H new ATOM 0 HD1 TYR A 518 -2.960 -1.885 3.601 1.00 71.20 H new ATOM 0 HD2 TYR A 518 -0.313 0.662 5.761 1.00 31.12 H new ATOM 0 HE1 TYR A 518 -2.354 -0.746 1.513 1.00 72.22 H new ATOM 0 HE2 TYR A 518 0.291 1.806 3.674 1.00 73.30 H new ATOM 0 HH TYR A 518 -0.004 1.944 1.489 1.00 74.33 H new ATOM 588 N ILE A 519 -3.956 -3.726 7.213 1.00 71.01 N ATOM 589 CA ILE A 519 -4.373 -5.122 7.154 1.00 2.50 C ATOM 590 C ILE A 519 -5.847 -5.240 6.782 1.00 1.22 C ATOM 591 O ILE A 519 -6.668 -4.418 7.187 1.00 41.22 O ATOM 592 CB ILE A 519 -4.135 -5.837 8.497 1.00 64.33 C ATOM 593 CG1 ILE A 519 -2.651 -5.789 8.869 1.00 13.13 C ATOM 594 CG2 ILE A 519 -4.621 -7.277 8.423 1.00 11.11 C ATOM 595 CD1 ILE A 519 -2.406 -5.635 10.354 1.00 41.21 C ATOM 0 H ILE A 519 -3.612 -3.427 8.125 1.00 71.01 H new ATOM 0 HA ILE A 519 -3.767 -5.601 6.384 1.00 2.50 H new ATOM 0 HB ILE A 519 -4.702 -5.321 9.272 1.00 64.33 H new ATOM 0 HG12 ILE A 519 -2.168 -6.702 8.522 1.00 13.13 H new ATOM 0 HG13 ILE A 519 -2.179 -4.959 8.343 1.00 13.13 H new ATOM 0 HG21 ILE A 519 -4.446 -7.770 9.379 1.00 11.11 H new ATOM 0 HG22 ILE A 519 -5.687 -7.290 8.198 1.00 11.11 H new ATOM 0 HG23 ILE A 519 -4.078 -7.804 7.639 1.00 11.11 H new ATOM 0 HD11 ILE A 519 -1.333 -5.608 10.545 1.00 41.21 H new ATOM 0 HD12 ILE A 519 -2.860 -4.708 10.703 1.00 41.21 H new ATOM 0 HD13 ILE A 519 -2.848 -6.478 10.885 1.00 41.21 H new ATOM 607 N GLY A 520 -6.176 -6.271 6.009 1.00 11.35 N ATOM 608 CA GLY A 520 -7.552 -6.479 5.597 1.00 22.32 C ATOM 609 C GLY A 520 -8.424 -6.993 6.726 1.00 64.33 C ATOM 610 O GLY A 520 -8.540 -6.353 7.770 1.00 71.33 O ATOM 0 H GLY A 520 -5.515 -6.965 5.661 1.00 11.35 H new ATOM 0 HA2 GLY A 520 -7.962 -5.541 5.224 1.00 22.32 H new ATOM 0 HA3 GLY A 520 -7.577 -7.189 4.770 1.00 22.32 H new ATOM 614 N ASN A 521 -9.039 -8.152 6.515 1.00 71.30 N ATOM 615 CA ASN A 521 -9.907 -8.751 7.523 1.00 51.05 C ATOM 616 C ASN A 521 -9.133 -9.738 8.390 1.00 23.34 C ATOM 617 O ASN A 521 -8.460 -10.634 7.880 1.00 71.35 O ATOM 618 CB ASN A 521 -11.087 -9.459 6.854 1.00 60.14 C ATOM 619 CG ASN A 521 -11.899 -8.526 5.976 1.00 62.32 C ATOM 620 OD1 ASN A 521 -11.978 -7.325 6.234 1.00 62.13 O ATOM 621 ND2 ASN A 521 -12.508 -9.077 4.932 1.00 45.12 N ATOM 0 H ASN A 521 -8.953 -8.695 5.656 1.00 71.30 H new ATOM 0 HA ASN A 521 -10.285 -7.953 8.162 1.00 51.05 H new ATOM 0 HB2 ASN A 521 -10.716 -10.288 6.252 1.00 60.14 H new ATOM 0 HB3 ASN A 521 -11.733 -9.886 7.621 1.00 60.14 H new ATOM 0 HD21 ASN A 521 -13.069 -8.500 4.306 1.00 45.12 H new ATOM 0 HD22 ASN A 521 -12.415 -10.077 4.757 1.00 45.12 H new ATOM 628 N ILE A 522 -9.233 -9.568 9.704 1.00 11.23 N ATOM 629 CA ILE A 522 -8.544 -10.445 10.643 1.00 41.42 C ATOM 630 C ILE A 522 -9.534 -11.157 11.558 1.00 2.23 C ATOM 631 O ILE A 522 -10.429 -10.533 12.129 1.00 5.23 O ATOM 632 CB ILE A 522 -7.534 -9.664 11.505 1.00 35.01 C ATOM 633 CG1 ILE A 522 -6.653 -8.778 10.622 1.00 75.23 C ATOM 634 CG2 ILE A 522 -6.681 -10.624 12.321 1.00 50.33 C ATOM 635 CD1 ILE A 522 -6.959 -7.302 10.751 1.00 63.33 C ATOM 0 H ILE A 522 -9.785 -8.831 10.143 1.00 11.23 H new ATOM 0 HA ILE A 522 -8.007 -11.184 10.049 1.00 41.42 H new ATOM 0 HB ILE A 522 -8.085 -9.023 12.193 1.00 35.01 H new ATOM 0 HG12 ILE A 522 -5.607 -8.948 10.879 1.00 75.23 H new ATOM 0 HG13 ILE A 522 -6.778 -9.077 9.581 1.00 75.23 H new ATOM 0 HG21 ILE A 522 -5.972 -10.057 12.925 1.00 50.33 H new ATOM 0 HG22 ILE A 522 -7.323 -11.216 12.974 1.00 50.33 H new ATOM 0 HG23 ILE A 522 -6.136 -11.288 11.649 1.00 50.33 H new ATOM 0 HD11 ILE A 522 -6.297 -6.735 10.097 1.00 63.33 H new ATOM 0 HD12 ILE A 522 -7.995 -7.119 10.466 1.00 63.33 H new ATOM 0 HD13 ILE A 522 -6.806 -6.988 11.783 1.00 63.33 H new ATOM 647 N LYS A 523 -9.367 -12.468 11.695 1.00 3.24 N ATOM 648 CA LYS A 523 -10.243 -13.267 12.544 1.00 2.41 C ATOM 649 C LYS A 523 -9.462 -13.893 13.695 1.00 11.33 C ATOM 650 O LYS A 523 -8.265 -14.158 13.575 1.00 33.44 O ATOM 651 CB LYS A 523 -10.924 -14.362 11.721 1.00 54.11 C ATOM 652 CG LYS A 523 -12.149 -14.956 12.395 1.00 71.11 C ATOM 653 CD LYS A 523 -12.511 -16.307 11.802 1.00 74.41 C ATOM 654 CE LYS A 523 -13.011 -16.173 10.372 1.00 50.44 C ATOM 655 NZ LYS A 523 -14.394 -15.623 10.317 1.00 42.33 N ATOM 0 H LYS A 523 -8.632 -13.000 11.229 1.00 3.24 H new ATOM 0 HA LYS A 523 -11.004 -12.608 12.961 1.00 2.41 H new ATOM 0 HB2 LYS A 523 -11.215 -13.951 10.754 1.00 54.11 H new ATOM 0 HB3 LYS A 523 -10.205 -15.158 11.525 1.00 54.11 H new ATOM 0 HG2 LYS A 523 -11.961 -15.065 13.463 1.00 71.11 H new ATOM 0 HG3 LYS A 523 -12.992 -14.273 12.288 1.00 71.11 H new ATOM 0 HD2 LYS A 523 -11.639 -16.960 11.824 1.00 74.41 H new ATOM 0 HD3 LYS A 523 -13.279 -16.780 12.414 1.00 74.41 H new ATOM 0 HE2 LYS A 523 -12.339 -15.523 9.812 1.00 50.44 H new ATOM 0 HE3 LYS A 523 -12.989 -17.149 9.887 1.00 50.44 H new ATOM 0 HZ1 LYS A 523 -14.736 -15.642 9.335 1.00 42.33 H new ATOM 0 HZ2 LYS A 523 -15.021 -16.200 10.913 1.00 42.33 H new ATOM 0 HZ3 LYS A 523 -14.392 -14.643 10.664 1.00 42.33 H new ATOM 669 N LEU A 524 -10.147 -14.127 14.809 1.00 25.54 N ATOM 670 CA LEU A 524 -9.517 -14.724 15.982 1.00 33.44 C ATOM 671 C LEU A 524 -10.458 -15.715 16.660 1.00 34.13 C ATOM 672 O LEU A 524 -11.263 -15.339 17.513 1.00 21.31 O ATOM 673 CB LEU A 524 -9.105 -13.635 16.974 1.00 23.21 C ATOM 674 CG LEU A 524 -8.117 -14.057 18.062 1.00 22.42 C ATOM 675 CD1 LEU A 524 -8.801 -14.947 19.088 1.00 30.22 C ATOM 676 CD2 LEU A 524 -6.920 -14.770 17.449 1.00 73.12 C ATOM 0 H LEU A 524 -11.138 -13.913 14.925 1.00 25.54 H new ATOM 0 HA LEU A 524 -8.628 -15.262 15.652 1.00 33.44 H new ATOM 0 HB2 LEU A 524 -8.667 -12.809 16.414 1.00 23.21 H new ATOM 0 HB3 LEU A 524 -10.004 -13.252 17.457 1.00 23.21 H new ATOM 0 HG LEU A 524 -7.760 -13.160 18.569 1.00 22.42 H new ATOM 0 HD11 LEU A 524 -8.082 -15.237 19.854 1.00 30.22 H new ATOM 0 HD12 LEU A 524 -9.625 -14.403 19.550 1.00 30.22 H new ATOM 0 HD13 LEU A 524 -9.187 -15.840 18.596 1.00 30.22 H new ATOM 0 HD21 LEU A 524 -6.228 -15.063 18.238 1.00 73.12 H new ATOM 0 HD22 LEU A 524 -7.259 -15.658 16.916 1.00 73.12 H new ATOM 0 HD23 LEU A 524 -6.415 -14.100 16.753 1.00 73.12 H new ATOM 688 N PHE A 525 -10.351 -16.983 16.277 1.00 44.12 N ATOM 689 CA PHE A 525 -11.191 -18.029 16.848 1.00 10.44 C ATOM 690 C PHE A 525 -10.524 -18.656 18.069 1.00 62.44 C ATOM 691 O PHE A 525 -9.543 -18.129 18.593 1.00 71.40 O ATOM 692 CB PHE A 525 -11.483 -19.106 15.802 1.00 35.12 C ATOM 693 CG PHE A 525 -12.943 -19.433 15.671 1.00 74.43 C ATOM 694 CD1 PHE A 525 -13.397 -20.728 15.866 1.00 10.03 C ATOM 695 CD2 PHE A 525 -13.862 -18.447 15.352 1.00 13.40 C ATOM 696 CE1 PHE A 525 -14.740 -21.032 15.745 1.00 2.11 C ATOM 697 CE2 PHE A 525 -15.207 -18.744 15.230 1.00 65.41 C ATOM 698 CZ PHE A 525 -15.646 -20.039 15.428 1.00 42.32 C ATOM 0 H PHE A 525 -9.690 -17.311 15.573 1.00 44.12 H new ATOM 0 HA PHE A 525 -12.131 -17.575 17.163 1.00 10.44 H new ATOM 0 HB2 PHE A 525 -11.105 -18.774 14.835 1.00 35.12 H new ATOM 0 HB3 PHE A 525 -10.938 -20.013 16.064 1.00 35.12 H new ATOM 0 HD1 PHE A 525 -12.693 -21.508 16.115 1.00 10.03 H new ATOM 0 HD2 PHE A 525 -13.524 -17.433 15.197 1.00 13.40 H new ATOM 0 HE1 PHE A 525 -15.081 -22.045 15.898 1.00 2.11 H new ATOM 0 HE2 PHE A 525 -15.913 -17.965 14.981 1.00 65.41 H new ATOM 0 HZ PHE A 525 -16.696 -20.274 15.335 1.00 42.32 H new ATOM 708 N ALA A 526 -11.064 -19.786 18.515 1.00 2.44 N ATOM 709 CA ALA A 526 -10.521 -20.487 19.672 1.00 1.54 C ATOM 710 C ALA A 526 -9.131 -21.040 19.376 1.00 31.15 C ATOM 711 O ALA A 526 -8.216 -20.915 20.191 1.00 75.03 O ATOM 712 CB ALA A 526 -11.458 -21.607 20.098 1.00 21.20 C ATOM 0 H ALA A 526 -11.877 -20.235 18.093 1.00 2.44 H new ATOM 0 HA ALA A 526 -10.432 -19.772 20.490 1.00 1.54 H new ATOM 0 HB1 ALA A 526 -11.040 -22.122 20.963 1.00 21.20 H new ATOM 0 HB2 ALA A 526 -12.430 -21.189 20.360 1.00 21.20 H new ATOM 0 HB3 ALA A 526 -11.577 -22.314 19.277 1.00 21.20 H new ATOM 718 N SER A 527 -8.980 -21.653 18.207 1.00 70.02 N ATOM 719 CA SER A 527 -7.702 -22.230 17.806 1.00 73.14 C ATOM 720 C SER A 527 -7.396 -21.910 16.346 1.00 72.04 C ATOM 721 O SER A 527 -6.770 -22.703 15.642 1.00 24.23 O ATOM 722 CB SER A 527 -7.715 -23.745 18.016 1.00 63.44 C ATOM 723 OG SER A 527 -7.871 -24.069 19.386 1.00 33.13 O ATOM 0 H SER A 527 -9.726 -21.763 17.521 1.00 70.02 H new ATOM 0 HA SER A 527 -6.922 -21.791 18.427 1.00 73.14 H new ATOM 0 HB2 SER A 527 -8.527 -24.188 17.440 1.00 63.44 H new ATOM 0 HB3 SER A 527 -6.786 -24.175 17.641 1.00 63.44 H new ATOM 0 HG SER A 527 -7.878 -25.043 19.493 1.00 33.13 H new ATOM 729 N HIS A 528 -7.843 -20.742 15.896 1.00 13.41 N ATOM 730 CA HIS A 528 -7.617 -20.315 14.520 1.00 53.12 C ATOM 731 C HIS A 528 -7.641 -18.793 14.412 1.00 72.21 C ATOM 732 O HIS A 528 -8.103 -18.104 15.321 1.00 0.13 O ATOM 733 CB HIS A 528 -8.675 -20.920 13.596 1.00 44.12 C ATOM 734 CG HIS A 528 -8.509 -22.393 13.380 1.00 53.20 C ATOM 735 ND1 HIS A 528 -7.646 -22.924 12.446 1.00 64.23 N ATOM 736 CD2 HIS A 528 -9.102 -23.448 13.985 1.00 31.34 C ATOM 737 CE1 HIS A 528 -7.716 -24.243 12.485 1.00 45.25 C ATOM 738 NE2 HIS A 528 -8.592 -24.586 13.411 1.00 60.50 N ATOM 0 H HIS A 528 -8.364 -20.074 16.464 1.00 13.41 H new ATOM 0 HA HIS A 528 -6.632 -20.668 14.213 1.00 53.12 H new ATOM 0 HB2 HIS A 528 -9.663 -20.732 14.016 1.00 44.12 H new ATOM 0 HB3 HIS A 528 -8.637 -20.413 12.632 1.00 44.12 H new ATOM 0 HD1 HIS A 528 -7.047 -22.383 11.822 1.00 64.23 H new ATOM 0 HD2 HIS A 528 -9.839 -23.403 14.773 1.00 31.34 H new ATOM 0 HE1 HIS A 528 -7.152 -24.924 11.865 1.00 45.25 H new ATOM 746 N SER A 529 -7.140 -18.276 13.295 1.00 41.12 N ATOM 747 CA SER A 529 -7.100 -16.836 13.070 1.00 5.33 C ATOM 748 C SER A 529 -6.761 -16.522 11.616 1.00 10.21 C ATOM 749 O SER A 529 -5.820 -17.080 11.050 1.00 13.12 O ATOM 750 CB SER A 529 -6.073 -16.182 13.997 1.00 23.23 C ATOM 751 OG SER A 529 -5.086 -17.115 14.404 1.00 54.12 O ATOM 0 H SER A 529 -6.756 -18.833 12.532 1.00 41.12 H new ATOM 0 HA SER A 529 -8.088 -16.432 13.290 1.00 5.33 H new ATOM 0 HB2 SER A 529 -5.598 -15.345 13.485 1.00 23.23 H new ATOM 0 HB3 SER A 529 -6.577 -15.775 14.874 1.00 23.23 H new ATOM 0 HG SER A 529 -5.359 -17.533 15.247 1.00 54.12 H new ATOM 757 N THR A 530 -7.535 -15.624 11.015 1.00 15.43 N ATOM 758 CA THR A 530 -7.320 -15.235 9.627 1.00 31.22 C ATOM 759 C THR A 530 -6.730 -13.833 9.534 1.00 53.41 C ATOM 760 O THR A 530 -6.729 -13.084 10.511 1.00 11.53 O ATOM 761 CB THR A 530 -8.631 -15.283 8.821 1.00 75.04 C ATOM 762 OG1 THR A 530 -9.455 -14.161 9.157 1.00 1.11 O ATOM 763 CG2 THR A 530 -9.388 -16.574 9.094 1.00 13.02 C ATOM 0 H THR A 530 -8.317 -15.152 11.468 1.00 15.43 H new ATOM 0 HA THR A 530 -6.616 -15.951 9.204 1.00 31.22 H new ATOM 0 HB THR A 530 -8.380 -15.245 7.761 1.00 75.04 H new ATOM 0 HG1 THR A 530 -10.286 -14.198 8.639 1.00 1.11 H new ATOM 0 HG21 THR A 530 -10.310 -16.585 8.513 1.00 13.02 H new ATOM 0 HG22 THR A 530 -8.770 -17.425 8.809 1.00 13.02 H new ATOM 0 HG23 THR A 530 -9.627 -16.638 10.156 1.00 13.02 H new ATOM 771 N ILE A 531 -6.231 -13.483 8.353 1.00 23.34 N ATOM 772 CA ILE A 531 -5.640 -12.169 8.133 1.00 23.21 C ATOM 773 C ILE A 531 -5.291 -11.962 6.663 1.00 74.50 C ATOM 774 O ILE A 531 -4.832 -12.884 5.989 1.00 40.31 O ATOM 775 CB ILE A 531 -4.370 -11.973 8.982 1.00 21.54 C ATOM 776 CG1 ILE A 531 -3.716 -10.629 8.659 1.00 43.34 C ATOM 777 CG2 ILE A 531 -3.393 -13.115 8.745 1.00 44.13 C ATOM 778 CD1 ILE A 531 -2.734 -10.165 9.712 1.00 13.01 C ATOM 0 H ILE A 531 -6.224 -14.091 7.534 1.00 23.34 H new ATOM 0 HA ILE A 531 -6.386 -11.434 8.434 1.00 23.21 H new ATOM 0 HB ILE A 531 -4.651 -11.974 10.035 1.00 21.54 H new ATOM 0 HG12 ILE A 531 -3.200 -10.706 7.702 1.00 43.34 H new ATOM 0 HG13 ILE A 531 -4.494 -9.875 8.542 1.00 43.34 H new ATOM 0 HG21 ILE A 531 -2.501 -12.962 9.352 1.00 44.13 H new ATOM 0 HG22 ILE A 531 -3.863 -14.059 9.022 1.00 44.13 H new ATOM 0 HG23 ILE A 531 -3.115 -13.143 7.691 1.00 44.13 H new ATOM 0 HD11 ILE A 531 -2.310 -9.206 9.416 1.00 13.01 H new ATOM 0 HD12 ILE A 531 -3.249 -10.055 10.666 1.00 13.01 H new ATOM 0 HD13 ILE A 531 -1.935 -10.899 9.813 1.00 13.01 H new ATOM 790 N GLU A 532 -5.512 -10.746 6.173 1.00 21.35 N ATOM 791 CA GLU A 532 -5.220 -10.419 4.783 1.00 41.12 C ATOM 792 C GLU A 532 -4.152 -9.332 4.692 1.00 34.23 C ATOM 793 O GLU A 532 -4.294 -8.256 5.275 1.00 31.54 O ATOM 794 CB GLU A 532 -6.492 -9.961 4.066 1.00 44.22 C ATOM 795 CG GLU A 532 -6.309 -9.760 2.571 1.00 63.02 C ATOM 796 CD GLU A 532 -7.528 -10.177 1.773 1.00 75.55 C ATOM 797 OE1 GLU A 532 -7.414 -11.120 0.962 1.00 23.41 O ATOM 798 OE2 GLU A 532 -8.598 -9.561 1.959 1.00 13.50 O ATOM 0 H GLU A 532 -5.892 -9.972 6.718 1.00 21.35 H new ATOM 0 HA GLU A 532 -4.841 -11.318 4.297 1.00 41.12 H new ATOM 0 HB2 GLU A 532 -7.278 -10.698 4.231 1.00 44.22 H new ATOM 0 HB3 GLU A 532 -6.833 -9.026 4.511 1.00 44.22 H new ATOM 0 HG2 GLU A 532 -6.092 -8.710 2.373 1.00 63.02 H new ATOM 0 HG3 GLU A 532 -5.445 -10.333 2.234 1.00 63.02 H new ATOM 805 N LEU A 533 -3.084 -9.621 3.958 1.00 24.11 N ATOM 806 CA LEU A 533 -1.991 -8.670 3.791 1.00 45.43 C ATOM 807 C LEU A 533 -2.006 -8.064 2.391 1.00 45.20 C ATOM 808 O LEU A 533 -2.048 -8.769 1.383 1.00 75.31 O ATOM 809 CB LEU A 533 -0.648 -9.355 4.048 1.00 65.43 C ATOM 810 CG LEU A 533 0.066 -8.970 5.344 1.00 34.23 C ATOM 811 CD1 LEU A 533 -0.744 -9.417 6.552 1.00 52.43 C ATOM 812 CD2 LEU A 533 1.462 -9.573 5.384 1.00 3.11 C ATOM 0 H LEU A 533 -2.951 -10.506 3.469 1.00 24.11 H new ATOM 0 HA LEU A 533 -2.127 -7.868 4.516 1.00 45.43 H new ATOM 0 HB2 LEU A 533 -0.808 -10.433 4.052 1.00 65.43 H new ATOM 0 HB3 LEU A 533 0.016 -9.134 3.212 1.00 65.43 H new ATOM 0 HG LEU A 533 0.160 -7.885 5.376 1.00 34.23 H new ATOM 0 HD11 LEU A 533 -0.221 -9.135 7.466 1.00 52.43 H new ATOM 0 HD12 LEU A 533 -1.723 -8.938 6.531 1.00 52.43 H new ATOM 0 HD13 LEU A 533 -0.870 -10.499 6.526 1.00 52.43 H new ATOM 0 HD21 LEU A 533 1.955 -9.288 6.314 1.00 3.11 H new ATOM 0 HD22 LEU A 533 1.391 -10.659 5.329 1.00 3.11 H new ATOM 0 HD23 LEU A 533 2.042 -9.204 4.538 1.00 3.11 H new ATOM 824 N PRO A 534 -1.967 -6.725 2.325 1.00 12.30 N ATOM 825 CA PRO A 534 -1.973 -5.994 1.054 1.00 24.21 C ATOM 826 C PRO A 534 -0.670 -6.167 0.280 1.00 31.34 C ATOM 827 O PRO A 534 -0.554 -5.733 -0.866 1.00 31.21 O ATOM 828 CB PRO A 534 -2.149 -4.536 1.484 1.00 54.30 C ATOM 829 CG PRO A 534 -1.611 -4.482 2.872 1.00 30.00 C ATOM 830 CD PRO A 534 -1.915 -5.821 3.486 1.00 0.52 C ATOM 0 HA PRO A 534 -2.753 -6.352 0.382 1.00 24.21 H new ATOM 0 HB2 PRO A 534 -1.607 -3.860 0.823 1.00 54.30 H new ATOM 0 HB3 PRO A 534 -3.197 -4.238 1.454 1.00 54.30 H new ATOM 0 HG2 PRO A 534 -0.538 -4.289 2.868 1.00 30.00 H new ATOM 0 HG3 PRO A 534 -2.077 -3.677 3.440 1.00 30.00 H new ATOM 0 HD2 PRO A 534 -1.144 -6.122 4.195 1.00 0.52 H new ATOM 0 HD3 PRO A 534 -2.860 -5.809 4.029 1.00 0.52 H new ATOM 838 N LYS A 535 0.309 -6.805 0.914 1.00 53.32 N ATOM 839 CA LYS A 535 1.603 -7.037 0.285 1.00 24.50 C ATOM 840 C LYS A 535 1.431 -7.582 -1.130 1.00 3.35 C ATOM 841 O LYS A 535 0.471 -8.295 -1.418 1.00 64.00 O ATOM 842 CB LYS A 535 2.431 -8.015 1.122 1.00 65.32 C ATOM 843 CG LYS A 535 2.749 -7.504 2.516 1.00 23.55 C ATOM 844 CD LYS A 535 3.521 -6.196 2.469 1.00 61.42 C ATOM 845 CE LYS A 535 4.848 -6.358 1.744 1.00 63.51 C ATOM 846 NZ LYS A 535 5.727 -7.358 2.413 1.00 42.44 N ATOM 0 H LYS A 535 0.230 -7.170 1.863 1.00 53.32 H new ATOM 0 HA LYS A 535 2.127 -6.083 0.227 1.00 24.50 H new ATOM 0 HB2 LYS A 535 1.890 -8.958 1.204 1.00 65.32 H new ATOM 0 HB3 LYS A 535 3.364 -8.227 0.600 1.00 65.32 H new ATOM 0 HG2 LYS A 535 1.822 -7.361 3.072 1.00 23.55 H new ATOM 0 HG3 LYS A 535 3.331 -8.252 3.054 1.00 23.55 H new ATOM 0 HD2 LYS A 535 2.922 -5.436 1.967 1.00 61.42 H new ATOM 0 HD3 LYS A 535 3.701 -5.842 3.484 1.00 61.42 H new ATOM 0 HE2 LYS A 535 4.664 -6.667 0.715 1.00 63.51 H new ATOM 0 HE3 LYS A 535 5.359 -5.396 1.702 1.00 63.51 H new ATOM 0 HZ1 LYS A 535 6.683 -7.307 2.007 1.00 42.44 H new ATOM 0 HZ2 LYS A 535 5.772 -7.154 3.432 1.00 42.44 H new ATOM 0 HZ3 LYS A 535 5.340 -8.312 2.268 1.00 42.44 H new ATOM 860 N GLY A 536 2.369 -7.241 -2.008 1.00 63.03 N ATOM 861 CA GLY A 536 2.303 -7.706 -3.382 1.00 0.45 C ATOM 862 C GLY A 536 3.613 -8.302 -3.856 1.00 23.44 C ATOM 863 O GLY A 536 4.072 -8.011 -4.960 1.00 3.25 O ATOM 0 H GLY A 536 3.173 -6.651 -1.793 1.00 63.03 H new ATOM 0 HA2 GLY A 536 1.514 -8.453 -3.472 1.00 0.45 H new ATOM 0 HA3 GLY A 536 2.030 -6.874 -4.031 1.00 0.45 H new ATOM 867 N MET A 537 4.218 -9.139 -3.018 1.00 72.14 N ATOM 868 CA MET A 537 5.484 -9.778 -3.359 1.00 11.25 C ATOM 869 C MET A 537 5.916 -10.746 -2.262 1.00 60.31 C ATOM 870 O MET A 537 6.910 -10.532 -1.568 1.00 31.02 O ATOM 871 CB MET A 537 6.569 -8.722 -3.580 1.00 20.25 C ATOM 872 CG MET A 537 7.630 -9.142 -4.584 1.00 21.44 C ATOM 873 SD MET A 537 8.454 -7.735 -5.353 1.00 23.40 S ATOM 874 CE MET A 537 9.705 -8.567 -6.328 1.00 61.53 C ATOM 0 H MET A 537 3.852 -9.390 -2.099 1.00 72.14 H new ATOM 0 HA MET A 537 5.342 -10.341 -4.281 1.00 11.25 H new ATOM 0 HB2 MET A 537 6.102 -7.799 -3.922 1.00 20.25 H new ATOM 0 HB3 MET A 537 7.049 -8.501 -2.627 1.00 20.25 H new ATOM 0 HG2 MET A 537 8.372 -9.764 -4.084 1.00 21.44 H new ATOM 0 HG3 MET A 537 7.169 -9.756 -5.358 1.00 21.44 H new ATOM 0 HE1 MET A 537 10.299 -7.828 -6.865 1.00 61.53 H new ATOM 0 HE2 MET A 537 10.354 -9.146 -5.670 1.00 61.53 H new ATOM 0 HE3 MET A 537 9.225 -9.235 -7.043 1.00 61.53 H new ATOM 884 N PRO A 538 5.153 -11.838 -2.101 1.00 1.43 N ATOM 885 CA PRO A 538 5.438 -12.860 -1.090 1.00 64.51 C ATOM 886 C PRO A 538 6.692 -13.665 -1.417 1.00 73.03 C ATOM 887 O PRO A 538 7.444 -13.319 -2.327 1.00 54.53 O ATOM 888 CB PRO A 538 4.200 -13.759 -1.135 1.00 14.50 C ATOM 889 CG PRO A 538 3.651 -13.579 -2.509 1.00 23.35 C ATOM 890 CD PRO A 538 3.954 -12.157 -2.893 1.00 33.42 C ATOM 0 HA PRO A 538 5.628 -12.422 -0.110 1.00 64.51 H new ATOM 0 HB2 PRO A 538 4.460 -14.801 -0.946 1.00 14.50 H new ATOM 0 HB3 PRO A 538 3.472 -13.469 -0.377 1.00 14.50 H new ATOM 0 HG2 PRO A 538 4.111 -14.278 -3.208 1.00 23.35 H new ATOM 0 HG3 PRO A 538 2.578 -13.768 -2.528 1.00 23.35 H new ATOM 0 HD2 PRO A 538 4.142 -12.061 -3.962 1.00 33.42 H new ATOM 0 HD3 PRO A 538 3.125 -11.491 -2.654 1.00 33.42 H new ATOM 898 N GLY A 539 6.910 -14.742 -0.669 1.00 24.11 N ATOM 899 CA GLY A 539 8.074 -15.579 -0.896 1.00 30.24 C ATOM 900 C GLY A 539 9.247 -15.192 -0.017 1.00 40.33 C ATOM 901 O GLY A 539 10.280 -15.860 -0.021 1.00 43.34 O ATOM 0 H GLY A 539 6.302 -15.050 0.090 1.00 24.11 H new ATOM 0 HA2 GLY A 539 7.811 -16.620 -0.708 1.00 30.24 H new ATOM 0 HA3 GLY A 539 8.370 -15.509 -1.943 1.00 30.24 H new ATOM 905 N GLU A 540 9.088 -14.108 0.737 1.00 74.35 N ATOM 906 CA GLU A 540 10.144 -13.632 1.622 1.00 70.23 C ATOM 907 C GLU A 540 10.166 -14.431 2.922 1.00 55.22 C ATOM 908 O GLU A 540 11.214 -14.914 3.350 1.00 50.14 O ATOM 909 CB GLU A 540 9.953 -12.145 1.927 1.00 75.11 C ATOM 910 CG GLU A 540 9.427 -11.344 0.747 1.00 35.45 C ATOM 911 CD GLU A 540 9.604 -9.850 0.932 1.00 53.24 C ATOM 912 OE1 GLU A 540 9.751 -9.409 2.091 1.00 44.23 O ATOM 913 OE2 GLU A 540 9.594 -9.121 -0.082 1.00 63.25 O ATOM 0 H GLU A 540 8.238 -13.544 0.752 1.00 74.35 H new ATOM 0 HA GLU A 540 11.098 -13.771 1.114 1.00 70.23 H new ATOM 0 HB2 GLU A 540 9.262 -12.040 2.763 1.00 75.11 H new ATOM 0 HB3 GLU A 540 10.906 -11.723 2.246 1.00 75.11 H new ATOM 0 HG2 GLU A 540 9.944 -11.658 -0.160 1.00 35.45 H new ATOM 0 HG3 GLU A 540 8.369 -11.566 0.604 1.00 35.45 H new ATOM 920 N VAL A 541 9.000 -14.565 3.546 1.00 12.04 N ATOM 921 CA VAL A 541 8.883 -15.305 4.797 1.00 5.13 C ATOM 922 C VAL A 541 8.886 -16.809 4.548 1.00 2.05 C ATOM 923 O VAL A 541 9.392 -17.583 5.362 1.00 64.11 O ATOM 924 CB VAL A 541 7.599 -14.924 5.557 1.00 2.25 C ATOM 925 CG1 VAL A 541 7.535 -15.648 6.894 1.00 53.43 C ATOM 926 CG2 VAL A 541 7.524 -13.417 5.754 1.00 60.22 C ATOM 0 H VAL A 541 8.123 -14.171 3.206 1.00 12.04 H new ATOM 0 HA VAL A 541 9.748 -15.038 5.404 1.00 5.13 H new ATOM 0 HB VAL A 541 6.740 -15.233 4.962 1.00 2.25 H new ATOM 0 HG11 VAL A 541 6.621 -15.366 7.417 1.00 53.43 H new ATOM 0 HG12 VAL A 541 7.539 -16.725 6.725 1.00 53.43 H new ATOM 0 HG13 VAL A 541 8.399 -15.372 7.499 1.00 53.43 H new ATOM 0 HG21 VAL A 541 6.610 -13.166 6.293 1.00 60.22 H new ATOM 0 HG22 VAL A 541 8.388 -13.082 6.328 1.00 60.22 H new ATOM 0 HG23 VAL A 541 7.520 -12.923 4.782 1.00 60.22 H new ATOM 936 N LEU A 542 8.318 -17.217 3.419 1.00 23.10 N ATOM 937 CA LEU A 542 8.255 -18.630 3.061 1.00 3.13 C ATOM 938 C LEU A 542 9.653 -19.195 2.827 1.00 34.22 C ATOM 939 O LEU A 542 9.866 -20.404 2.917 1.00 0.25 O ATOM 940 CB LEU A 542 7.399 -18.821 1.808 1.00 32.45 C ATOM 941 CG LEU A 542 5.906 -19.054 2.045 1.00 41.50 C ATOM 942 CD1 LEU A 542 5.184 -17.729 2.239 1.00 61.14 C ATOM 943 CD2 LEU A 542 5.297 -19.831 0.887 1.00 1.30 C ATOM 0 H LEU A 542 7.894 -16.590 2.735 1.00 23.10 H new ATOM 0 HA LEU A 542 7.799 -19.170 3.891 1.00 3.13 H new ATOM 0 HB2 LEU A 542 7.513 -17.940 1.176 1.00 32.45 H new ATOM 0 HB3 LEU A 542 7.794 -19.668 1.248 1.00 32.45 H new ATOM 0 HG LEU A 542 5.789 -19.645 2.954 1.00 41.50 H new ATOM 0 HD11 LEU A 542 4.123 -17.914 2.406 1.00 61.14 H new ATOM 0 HD12 LEU A 542 5.602 -17.210 3.101 1.00 61.14 H new ATOM 0 HD13 LEU A 542 5.309 -17.113 1.349 1.00 61.14 H new ATOM 0 HD21 LEU A 542 4.234 -19.988 1.073 1.00 1.30 H new ATOM 0 HD22 LEU A 542 5.425 -19.267 -0.037 1.00 1.30 H new ATOM 0 HD23 LEU A 542 5.795 -20.796 0.794 1.00 1.30 H new ATOM 955 N GLN A 543 10.600 -18.312 2.528 1.00 21.34 N ATOM 956 CA GLN A 543 11.977 -18.724 2.283 1.00 2.02 C ATOM 957 C GLN A 543 12.740 -18.881 3.594 1.00 21.24 C ATOM 958 O GLN A 543 13.244 -19.961 3.906 1.00 44.34 O ATOM 959 CB GLN A 543 12.684 -17.706 1.387 1.00 43.20 C ATOM 960 CG GLN A 543 12.359 -17.865 -0.089 1.00 60.44 C ATOM 961 CD GLN A 543 12.803 -16.675 -0.917 1.00 33.03 C ATOM 962 OE1 GLN A 543 12.972 -15.572 -0.397 1.00 4.31 O ATOM 963 NE2 GLN A 543 12.993 -16.893 -2.213 1.00 3.43 N ATOM 0 H GLN A 543 10.439 -17.308 2.450 1.00 21.34 H new ATOM 0 HA GLN A 543 11.956 -19.690 1.778 1.00 2.02 H new ATOM 0 HB2 GLN A 543 12.407 -16.701 1.705 1.00 43.20 H new ATOM 0 HB3 GLN A 543 13.761 -17.799 1.525 1.00 43.20 H new ATOM 0 HG2 GLN A 543 12.841 -18.766 -0.468 1.00 60.44 H new ATOM 0 HG3 GLN A 543 11.284 -18.004 -0.207 1.00 60.44 H new ATOM 0 HE21 GLN A 543 12.841 -17.824 -2.601 1.00 3.43 H new ATOM 0 HE22 GLN A 543 13.291 -16.130 -2.820 1.00 3.43 H new ATOM 972 N HIS A 544 12.821 -17.797 4.360 1.00 62.52 N ATOM 973 CA HIS A 544 13.523 -17.815 5.638 1.00 31.44 C ATOM 974 C HIS A 544 12.764 -18.653 6.663 1.00 60.41 C ATOM 975 O HIS A 544 13.315 -19.587 7.247 1.00 10.33 O ATOM 976 CB HIS A 544 13.707 -16.391 6.163 1.00 20.11 C ATOM 977 CG HIS A 544 14.844 -15.658 5.520 1.00 20.33 C ATOM 978 ND1 HIS A 544 16.108 -16.194 5.392 1.00 2.24 N ATOM 979 CD2 HIS A 544 14.902 -14.425 4.966 1.00 53.23 C ATOM 980 CE1 HIS A 544 16.895 -15.321 4.789 1.00 52.14 C ATOM 981 NE2 HIS A 544 16.187 -14.239 4.519 1.00 73.13 N ATOM 0 H HIS A 544 12.409 -16.896 4.118 1.00 62.52 H new ATOM 0 HA HIS A 544 14.503 -18.266 5.480 1.00 31.44 H new ATOM 0 HB2 HIS A 544 12.786 -15.831 6.001 1.00 20.11 H new ATOM 0 HB3 HIS A 544 13.872 -16.428 7.240 1.00 20.11 H new ATOM 0 HD2 HIS A 544 14.089 -13.718 4.890 1.00 53.23 H new ATOM 0 HE1 HIS A 544 17.939 -15.467 4.556 1.00 52.14 H new ATOM 0 HE2 HIS A 544 16.538 -13.402 4.054 1.00 73.13 H new ATOM 989 N PHE A 545 11.497 -18.314 6.876 1.00 1.34 N ATOM 990 CA PHE A 545 10.663 -19.034 7.832 1.00 41.33 C ATOM 991 C PHE A 545 9.977 -20.224 7.167 1.00 44.55 C ATOM 992 O PHE A 545 8.780 -20.447 7.348 1.00 0.15 O ATOM 993 CB PHE A 545 9.614 -18.096 8.433 1.00 73.43 C ATOM 994 CG PHE A 545 10.196 -17.039 9.327 1.00 70.04 C ATOM 995 CD1 PHE A 545 9.985 -17.078 10.696 1.00 44.45 C ATOM 996 CD2 PHE A 545 10.954 -16.007 8.798 1.00 4.01 C ATOM 997 CE1 PHE A 545 10.519 -16.105 11.520 1.00 24.41 C ATOM 998 CE2 PHE A 545 11.491 -15.032 9.618 1.00 64.23 C ATOM 999 CZ PHE A 545 11.274 -15.082 10.981 1.00 64.23 C ATOM 0 H PHE A 545 11.025 -17.545 6.400 1.00 1.34 H new ATOM 0 HA PHE A 545 11.306 -19.407 8.629 1.00 41.33 H new ATOM 0 HB2 PHE A 545 9.064 -17.614 7.625 1.00 73.43 H new ATOM 0 HB3 PHE A 545 8.895 -18.685 9.001 1.00 73.43 H new ATOM 0 HD1 PHE A 545 9.397 -17.877 11.124 1.00 44.45 H new ATOM 0 HD2 PHE A 545 11.127 -15.964 7.733 1.00 4.01 H new ATOM 0 HE1 PHE A 545 10.346 -16.145 12.585 1.00 24.41 H new ATOM 0 HE2 PHE A 545 12.079 -14.232 9.193 1.00 64.23 H new ATOM 0 HZ PHE A 545 11.694 -14.323 11.624 1.00 64.23 H new ATOM 1009 N THR A 546 10.745 -20.985 6.393 1.00 22.24 N ATOM 1010 CA THR A 546 10.213 -22.151 5.699 1.00 0.01 C ATOM 1011 C THR A 546 10.027 -23.323 6.656 1.00 62.23 C ATOM 1012 O THR A 546 9.120 -24.138 6.485 1.00 64.21 O ATOM 1013 CB THR A 546 11.135 -22.586 4.545 1.00 71.55 C ATOM 1014 OG1 THR A 546 10.476 -23.567 3.735 1.00 42.11 O ATOM 1015 CG2 THR A 546 12.440 -23.157 5.080 1.00 53.25 C ATOM 0 H THR A 546 11.738 -20.814 6.231 1.00 22.24 H new ATOM 0 HA THR A 546 9.244 -21.862 5.291 1.00 0.01 H new ATOM 0 HB THR A 546 11.362 -21.708 3.940 1.00 71.55 H new ATOM 0 HG1 THR A 546 11.068 -23.838 3.002 1.00 42.11 H new ATOM 0 HG21 THR A 546 13.075 -23.457 4.246 1.00 53.25 H new ATOM 0 HG22 THR A 546 12.953 -22.399 5.672 1.00 53.25 H new ATOM 0 HG23 THR A 546 12.228 -24.024 5.706 1.00 53.25 H new ATOM 1023 N ARG A 547 10.891 -23.402 7.663 1.00 53.31 N ATOM 1024 CA ARG A 547 10.821 -24.475 8.647 1.00 64.32 C ATOM 1025 C ARG A 547 10.563 -23.917 10.043 1.00 31.22 C ATOM 1026 O ARG A 547 10.077 -24.624 10.927 1.00 70.22 O ATOM 1027 CB ARG A 547 12.119 -25.285 8.642 1.00 63.12 C ATOM 1028 CG ARG A 547 11.960 -26.695 9.187 1.00 13.23 C ATOM 1029 CD ARG A 547 12.383 -26.779 10.646 1.00 73.05 C ATOM 1030 NE ARG A 547 11.585 -27.748 11.392 1.00 70.43 N ATOM 1031 CZ ARG A 547 11.787 -29.060 11.341 1.00 34.40 C ATOM 1032 NH1 ARG A 547 12.755 -29.557 10.584 1.00 42.10 N ATOM 1033 NH2 ARG A 547 11.019 -29.879 12.049 1.00 13.32 N ATOM 0 H ARG A 547 11.647 -22.736 7.819 1.00 53.31 H new ATOM 0 HA ARG A 547 9.991 -25.128 8.377 1.00 64.32 H new ATOM 0 HB2 ARG A 547 12.499 -25.340 7.622 1.00 63.12 H new ATOM 0 HB3 ARG A 547 12.868 -24.758 9.233 1.00 63.12 H new ATOM 0 HG2 ARG A 547 10.921 -27.009 9.090 1.00 13.23 H new ATOM 0 HG3 ARG A 547 12.559 -27.386 8.593 1.00 13.23 H new ATOM 0 HD2 ARG A 547 13.436 -27.056 10.703 1.00 73.05 H new ATOM 0 HD3 ARG A 547 12.286 -25.797 11.109 1.00 73.05 H new ATOM 0 HE ARG A 547 10.832 -27.399 11.984 1.00 70.43 H new ATOM 0 HH11 ARG A 547 13.348 -28.932 10.038 1.00 42.10 H new ATOM 0 HH12 ARG A 547 12.907 -30.565 10.547 1.00 42.10 H new ATOM 0 HH21 ARG A 547 10.273 -29.501 12.633 1.00 13.32 H new ATOM 0 HH22 ARG A 547 11.175 -30.886 12.009 1.00 13.32 H new ATOM 1047 N THR A 548 10.892 -22.643 10.236 1.00 35.52 N ATOM 1048 CA THR A 548 10.697 -21.991 11.525 1.00 51.44 C ATOM 1049 C THR A 548 9.482 -21.070 11.497 1.00 63.05 C ATOM 1050 O THR A 548 9.418 -20.136 10.697 1.00 73.11 O ATOM 1051 CB THR A 548 11.937 -21.173 11.933 1.00 30.42 C ATOM 1052 OG1 THR A 548 13.079 -22.031 12.030 1.00 62.51 O ATOM 1053 CG2 THR A 548 11.709 -20.473 13.264 1.00 12.40 C ATOM 0 H THR A 548 11.295 -22.043 9.516 1.00 35.52 H new ATOM 0 HA THR A 548 10.534 -22.781 12.258 1.00 51.44 H new ATOM 0 HB THR A 548 12.114 -20.417 11.168 1.00 30.42 H new ATOM 0 HG1 THR A 548 13.864 -21.503 12.288 1.00 62.51 H new ATOM 0 HG21 THR A 548 12.598 -19.902 13.532 1.00 12.40 H new ATOM 0 HG22 THR A 548 10.856 -19.799 13.179 1.00 12.40 H new ATOM 0 HG23 THR A 548 11.509 -21.216 14.036 1.00 12.40 H new ATOM 1061 N ARG A 549 8.521 -21.339 12.375 1.00 45.24 N ATOM 1062 CA ARG A 549 7.308 -20.534 12.450 1.00 61.14 C ATOM 1063 C ARG A 549 6.785 -20.471 13.882 1.00 43.12 C ATOM 1064 O ARG A 549 7.347 -21.090 14.786 1.00 44.22 O ATOM 1065 CB ARG A 549 6.232 -21.109 11.527 1.00 15.02 C ATOM 1066 CG ARG A 549 6.552 -20.959 10.049 1.00 3.11 C ATOM 1067 CD ARG A 549 7.127 -22.242 9.471 1.00 63.42 C ATOM 1068 NE ARG A 549 6.127 -23.005 8.729 1.00 53.21 N ATOM 1069 CZ ARG A 549 5.781 -22.738 7.475 1.00 55.24 C ATOM 1070 NH1 ARG A 549 6.352 -21.733 6.825 1.00 13.44 N ATOM 1071 NH2 ARG A 549 4.862 -23.477 6.867 1.00 74.22 N ATOM 0 H ARG A 549 8.559 -22.108 13.044 1.00 45.24 H new ATOM 0 HA ARG A 549 7.552 -19.522 12.126 1.00 61.14 H new ATOM 0 HB2 ARG A 549 6.097 -22.166 11.755 1.00 15.02 H new ATOM 0 HB3 ARG A 549 5.284 -20.614 11.737 1.00 15.02 H new ATOM 0 HG2 ARG A 549 5.647 -20.687 9.505 1.00 3.11 H new ATOM 0 HG3 ARG A 549 7.264 -20.145 9.910 1.00 3.11 H new ATOM 0 HD2 ARG A 549 7.961 -22.001 8.812 1.00 63.42 H new ATOM 0 HD3 ARG A 549 7.526 -22.856 10.278 1.00 63.42 H new ATOM 0 HE ARG A 549 5.669 -23.786 9.200 1.00 53.21 H new ATOM 0 HH11 ARG A 549 7.059 -21.162 7.288 1.00 13.44 H new ATOM 0 HH12 ARG A 549 6.084 -21.531 5.862 1.00 13.44 H new ATOM 0 HH21 ARG A 549 4.420 -24.251 7.363 1.00 74.22 H new ATOM 0 HH22 ARG A 549 4.597 -23.271 5.904 1.00 74.22 H new ATOM 1085 N ILE A 550 5.708 -19.719 14.080 1.00 32.31 N ATOM 1086 CA ILE A 550 5.110 -19.576 15.402 1.00 74.15 C ATOM 1087 C ILE A 550 3.740 -18.911 15.316 1.00 41.21 C ATOM 1088 O ILE A 550 3.258 -18.595 14.227 1.00 32.42 O ATOM 1089 CB ILE A 550 6.010 -18.752 16.341 1.00 61.31 C ATOM 1090 CG1 ILE A 550 5.765 -19.152 17.798 1.00 45.15 C ATOM 1091 CG2 ILE A 550 5.760 -17.265 16.145 1.00 55.42 C ATOM 1092 CD1 ILE A 550 7.035 -19.284 18.609 1.00 0.53 C ATOM 0 H ILE A 550 5.232 -19.200 13.343 1.00 32.31 H new ATOM 0 HA ILE A 550 4.999 -20.581 15.809 1.00 74.15 H new ATOM 0 HB ILE A 550 7.052 -18.960 16.097 1.00 61.31 H new ATOM 0 HG12 ILE A 550 5.119 -18.409 18.267 1.00 45.15 H new ATOM 0 HG13 ILE A 550 5.228 -20.101 17.821 1.00 45.15 H new ATOM 0 HG21 ILE A 550 6.404 -16.696 16.816 1.00 55.42 H new ATOM 0 HG22 ILE A 550 5.980 -16.992 15.113 1.00 55.42 H new ATOM 0 HG23 ILE A 550 4.717 -17.039 16.365 1.00 55.42 H new ATOM 0 HD11 ILE A 550 6.786 -19.570 19.631 1.00 0.53 H new ATOM 0 HD12 ILE A 550 7.673 -20.048 18.164 1.00 0.53 H new ATOM 0 HD13 ILE A 550 7.562 -18.330 18.617 1.00 0.53 H new ATOM 1104 N LEU A 551 3.119 -18.699 16.471 1.00 55.55 N ATOM 1105 CA LEU A 551 1.804 -18.068 16.527 1.00 21.23 C ATOM 1106 C LEU A 551 1.675 -16.982 15.464 1.00 33.11 C ATOM 1107 O LEU A 551 0.641 -16.862 14.808 1.00 61.41 O ATOM 1108 CB LEU A 551 1.563 -17.471 17.915 1.00 75.13 C ATOM 1109 CG LEU A 551 2.459 -16.295 18.305 1.00 71.42 C ATOM 1110 CD1 LEU A 551 1.802 -14.976 17.930 1.00 61.02 C ATOM 1111 CD2 LEU A 551 2.771 -16.334 19.794 1.00 50.33 C ATOM 0 H LEU A 551 3.504 -18.954 17.381 1.00 55.55 H new ATOM 0 HA LEU A 551 1.052 -18.833 16.331 1.00 21.23 H new ATOM 0 HB2 LEU A 551 0.524 -17.145 17.973 1.00 75.13 H new ATOM 0 HB3 LEU A 551 1.691 -18.261 18.655 1.00 75.13 H new ATOM 0 HG LEU A 551 3.397 -16.379 17.755 1.00 71.42 H new ATOM 0 HD11 LEU A 551 2.454 -14.151 18.215 1.00 61.02 H new ATOM 0 HD12 LEU A 551 1.631 -14.948 16.854 1.00 61.02 H new ATOM 0 HD13 LEU A 551 0.850 -14.883 18.452 1.00 61.02 H new ATOM 0 HD21 LEU A 551 3.410 -15.490 20.054 1.00 50.33 H new ATOM 0 HD22 LEU A 551 1.843 -16.275 20.362 1.00 50.33 H new ATOM 0 HD23 LEU A 551 3.285 -17.265 20.034 1.00 50.33 H new ATOM 1123 N ASN A 552 2.732 -16.194 15.299 1.00 61.13 N ATOM 1124 CA ASN A 552 2.737 -15.119 14.314 1.00 43.43 C ATOM 1125 C ASN A 552 2.979 -15.667 12.911 1.00 71.13 C ATOM 1126 O ASN A 552 2.133 -15.534 12.026 1.00 64.23 O ATOM 1127 CB ASN A 552 3.811 -14.086 14.662 1.00 40.45 C ATOM 1128 CG ASN A 552 4.054 -13.102 13.533 1.00 64.31 C ATOM 1129 OD1 ASN A 552 3.130 -12.727 12.811 1.00 21.43 O ATOM 1130 ND2 ASN A 552 5.303 -12.680 13.376 1.00 45.15 N ATOM 0 H ASN A 552 3.596 -16.280 15.834 1.00 61.13 H new ATOM 0 HA ASN A 552 1.759 -14.638 14.333 1.00 43.43 H new ATOM 0 HB2 ASN A 552 3.511 -13.541 15.557 1.00 40.45 H new ATOM 0 HB3 ASN A 552 4.742 -14.600 14.899 1.00 40.45 H new ATOM 0 HD21 ASN A 552 5.528 -12.018 12.633 1.00 45.15 H new ATOM 0 HD22 ASN A 552 6.037 -13.018 13.998 1.00 45.15 H new ATOM 1137 N LYS A 553 4.139 -16.285 12.715 1.00 52.14 N ATOM 1138 CA LYS A 553 4.493 -16.856 11.421 1.00 71.14 C ATOM 1139 C LYS A 553 3.509 -17.951 11.022 1.00 72.04 C ATOM 1140 O LYS A 553 2.762 -18.479 11.846 1.00 5.14 O ATOM 1141 CB LYS A 553 5.914 -17.423 11.462 1.00 52.01 C ATOM 1142 CG LYS A 553 6.868 -16.610 12.319 1.00 4.10 C ATOM 1143 CD LYS A 553 6.861 -15.143 11.924 1.00 41.23 C ATOM 1144 CE LYS A 553 7.278 -14.954 10.473 1.00 20.32 C ATOM 1145 NZ LYS A 553 6.184 -14.364 9.654 1.00 52.32 N ATOM 0 H LYS A 553 4.850 -16.403 13.436 1.00 52.14 H new ATOM 0 HA LYS A 553 4.447 -16.061 10.676 1.00 71.14 H new ATOM 0 HB2 LYS A 553 5.878 -18.444 11.842 1.00 52.01 H new ATOM 0 HB3 LYS A 553 6.305 -17.474 10.446 1.00 52.01 H new ATOM 0 HG2 LYS A 553 6.588 -16.706 13.368 1.00 4.10 H new ATOM 0 HG3 LYS A 553 7.877 -17.009 12.220 1.00 4.10 H new ATOM 0 HD2 LYS A 553 5.864 -14.730 12.074 1.00 41.23 H new ATOM 0 HD3 LYS A 553 7.537 -14.587 12.573 1.00 41.23 H new ATOM 0 HE2 LYS A 553 8.154 -14.307 10.428 1.00 20.32 H new ATOM 0 HE3 LYS A 553 7.570 -15.916 10.051 1.00 20.32 H new ATOM 0 HZ1 LYS A 553 6.593 -13.771 8.904 1.00 52.32 H new ATOM 0 HZ2 LYS A 553 5.622 -15.126 9.224 1.00 52.32 H new ATOM 0 HZ3 LYS A 553 5.571 -13.782 10.260 1.00 52.32 H new ATOM 1159 N PRO A 554 3.506 -18.303 9.727 1.00 4.23 N ATOM 1160 CA PRO A 554 2.620 -19.340 9.190 1.00 2.24 C ATOM 1161 C PRO A 554 3.004 -20.735 9.670 1.00 33.42 C ATOM 1162 O PRO A 554 3.595 -21.517 8.926 1.00 75.14 O ATOM 1163 CB PRO A 554 2.814 -19.223 7.676 1.00 13.25 C ATOM 1164 CG PRO A 554 4.172 -18.632 7.513 1.00 75.23 C ATOM 1165 CD PRO A 554 4.369 -17.716 8.688 1.00 1.33 C ATOM 0 HA PRO A 554 1.588 -19.202 9.513 1.00 2.24 H new ATOM 0 HB2 PRO A 554 2.745 -20.197 7.192 1.00 13.25 H new ATOM 0 HB3 PRO A 554 2.050 -18.589 7.227 1.00 13.25 H new ATOM 0 HG2 PRO A 554 4.936 -19.409 7.492 1.00 75.23 H new ATOM 0 HG3 PRO A 554 4.249 -18.084 6.574 1.00 75.23 H new ATOM 0 HD2 PRO A 554 5.412 -17.685 9.003 1.00 1.33 H new ATOM 0 HD3 PRO A 554 4.076 -16.693 8.453 1.00 1.33 H new ATOM 1173 N MET A 555 2.663 -21.042 10.918 1.00 44.41 N ATOM 1174 CA MET A 555 2.971 -22.345 11.496 1.00 43.33 C ATOM 1175 C MET A 555 2.271 -23.460 10.726 1.00 52.10 C ATOM 1176 O MET A 555 2.920 -24.341 10.164 1.00 32.35 O ATOM 1177 CB MET A 555 2.555 -22.385 12.967 1.00 33.12 C ATOM 1178 CG MET A 555 2.626 -23.774 13.581 1.00 50.00 C ATOM 1179 SD MET A 555 4.306 -24.427 13.628 1.00 71.43 S ATOM 1180 CE MET A 555 4.933 -23.642 15.110 1.00 25.10 C ATOM 0 H MET A 555 2.174 -20.406 11.548 1.00 44.41 H new ATOM 0 HA MET A 555 4.048 -22.501 11.427 1.00 43.33 H new ATOM 0 HB2 MET A 555 3.196 -21.712 13.536 1.00 33.12 H new ATOM 0 HB3 MET A 555 1.536 -22.008 13.058 1.00 33.12 H new ATOM 0 HG2 MET A 555 2.225 -23.740 14.594 1.00 50.00 H new ATOM 0 HG3 MET A 555 1.992 -24.452 13.010 1.00 50.00 H new ATOM 0 HE1 MET A 555 5.969 -23.342 14.953 1.00 25.10 H new ATOM 0 HE2 MET A 555 4.332 -22.762 15.338 1.00 25.10 H new ATOM 0 HE3 MET A 555 4.881 -24.343 15.943 1.00 25.10 H new ATOM 1190 N ASN A 556 0.943 -23.414 10.705 1.00 73.51 N ATOM 1191 CA ASN A 556 0.154 -24.422 10.005 1.00 65.14 C ATOM 1192 C ASN A 556 -1.084 -23.799 9.369 1.00 54.41 C ATOM 1193 O ASN A 556 -2.212 -24.189 9.670 1.00 0.44 O ATOM 1194 CB ASN A 556 -0.259 -25.537 10.968 1.00 41.51 C ATOM 1195 CG ASN A 556 -0.479 -26.860 10.261 1.00 42.01 C ATOM 1196 OD1 ASN A 556 0.348 -27.768 10.347 1.00 4.35 O ATOM 1197 ND2 ASN A 556 -1.598 -26.975 9.556 1.00 73.11 N ATOM 0 H ASN A 556 0.391 -22.690 11.164 1.00 73.51 H new ATOM 0 HA ASN A 556 0.772 -24.846 9.214 1.00 65.14 H new ATOM 0 HB2 ASN A 556 0.511 -25.659 11.730 1.00 41.51 H new ATOM 0 HB3 ASN A 556 -1.175 -25.247 11.484 1.00 41.51 H new ATOM 0 HD21 ASN A 556 -1.800 -27.842 9.058 1.00 73.11 H new ATOM 0 HD22 ASN A 556 -2.256 -26.196 9.512 1.00 73.11 H new ATOM 1204 N MET A 557 -0.866 -22.828 8.487 1.00 22.34 N ATOM 1205 CA MET A 557 -1.965 -22.152 7.808 1.00 64.03 C ATOM 1206 C MET A 557 -2.094 -22.638 6.367 1.00 10.45 C ATOM 1207 O MET A 557 -1.232 -23.359 5.867 1.00 20.53 O ATOM 1208 CB MET A 557 -1.751 -20.637 7.830 1.00 34.24 C ATOM 1209 CG MET A 557 -0.392 -20.207 7.303 1.00 12.14 C ATOM 1210 SD MET A 557 -0.501 -18.833 6.140 1.00 32.34 S ATOM 1211 CE MET A 557 -0.202 -19.678 4.590 1.00 61.14 C ATOM 0 H MET A 557 0.061 -22.492 8.226 1.00 22.34 H new ATOM 0 HA MET A 557 -2.888 -22.389 8.337 1.00 64.03 H new ATOM 0 HB2 MET A 557 -2.530 -20.160 7.235 1.00 34.24 H new ATOM 0 HB3 MET A 557 -1.865 -20.277 8.852 1.00 34.24 H new ATOM 0 HG2 MET A 557 0.244 -19.920 8.140 1.00 12.14 H new ATOM 0 HG3 MET A 557 0.089 -21.054 6.814 1.00 12.14 H new ATOM 0 HE1 MET A 557 -0.237 -18.959 3.771 1.00 61.14 H new ATOM 0 HE2 MET A 557 0.780 -20.150 4.616 1.00 61.14 H new ATOM 0 HE3 MET A 557 -0.967 -20.440 4.438 1.00 61.14 H new ATOM 1221 N GLN A 558 -3.176 -22.237 5.708 1.00 42.25 N ATOM 1222 CA GLN A 558 -3.417 -22.633 4.325 1.00 11.21 C ATOM 1223 C GLN A 558 -4.052 -21.493 3.535 1.00 33.23 C ATOM 1224 O GLN A 558 -4.654 -20.585 4.110 1.00 33.33 O ATOM 1225 CB GLN A 558 -4.319 -23.868 4.276 1.00 4.41 C ATOM 1226 CG GLN A 558 -3.852 -24.998 5.179 1.00 64.13 C ATOM 1227 CD GLN A 558 -2.621 -25.702 4.643 1.00 62.43 C ATOM 1228 OE1 GLN A 558 -1.631 -25.875 5.354 1.00 3.24 O ATOM 1229 NE2 GLN A 558 -2.676 -26.114 3.382 1.00 71.15 N ATOM 0 H GLN A 558 -3.899 -21.639 6.108 1.00 42.25 H new ATOM 0 HA GLN A 558 -2.457 -22.875 3.870 1.00 11.21 H new ATOM 0 HB2 GLN A 558 -5.331 -23.580 4.562 1.00 4.41 H new ATOM 0 HB3 GLN A 558 -4.369 -24.231 3.249 1.00 4.41 H new ATOM 0 HG2 GLN A 558 -3.636 -24.600 6.170 1.00 64.13 H new ATOM 0 HG3 GLN A 558 -4.658 -25.722 5.295 1.00 64.13 H new ATOM 0 HE21 GLN A 558 -3.517 -25.950 2.828 1.00 71.15 H new ATOM 0 HE22 GLN A 558 -1.878 -26.595 2.967 1.00 71.15 H new ATOM 1238 N LEU A 559 -3.914 -21.546 2.215 1.00 31.22 N ATOM 1239 CA LEU A 559 -4.474 -20.518 1.345 1.00 15.34 C ATOM 1240 C LEU A 559 -5.904 -20.865 0.942 1.00 20.03 C ATOM 1241 O LEU A 559 -6.151 -21.897 0.317 1.00 62.11 O ATOM 1242 CB LEU A 559 -3.607 -20.350 0.097 1.00 41.22 C ATOM 1243 CG LEU A 559 -4.040 -19.255 -0.879 1.00 61.11 C ATOM 1244 CD1 LEU A 559 -5.155 -19.757 -1.784 1.00 1.25 C ATOM 1245 CD2 LEU A 559 -4.483 -18.011 -0.123 1.00 31.21 C ATOM 0 H LEU A 559 -3.419 -22.290 1.724 1.00 31.22 H new ATOM 0 HA LEU A 559 -4.490 -19.579 1.898 1.00 15.34 H new ATOM 0 HB2 LEU A 559 -2.585 -20.143 0.414 1.00 41.22 H new ATOM 0 HB3 LEU A 559 -3.588 -21.299 -0.438 1.00 41.22 H new ATOM 0 HG LEU A 559 -3.185 -18.992 -1.502 1.00 61.11 H new ATOM 0 HD11 LEU A 559 -5.450 -18.964 -2.472 1.00 1.25 H new ATOM 0 HD12 LEU A 559 -4.803 -20.618 -2.352 1.00 1.25 H new ATOM 0 HD13 LEU A 559 -6.012 -20.049 -1.177 1.00 1.25 H new ATOM 0 HD21 LEU A 559 -4.788 -17.243 -0.834 1.00 31.21 H new ATOM 0 HD22 LEU A 559 -5.323 -18.259 0.525 1.00 31.21 H new ATOM 0 HD23 LEU A 559 -3.656 -17.639 0.482 1.00 31.21 H new ATOM 1257 N LEU A 560 -6.842 -19.996 1.302 1.00 32.35 N ATOM 1258 CA LEU A 560 -8.248 -20.209 0.976 1.00 30.54 C ATOM 1259 C LEU A 560 -8.765 -19.112 0.053 1.00 54.54 C ATOM 1260 O LEU A 560 -9.709 -19.320 -0.708 1.00 54.12 O ATOM 1261 CB LEU A 560 -9.087 -20.254 2.255 1.00 53.25 C ATOM 1262 CG LEU A 560 -9.474 -18.900 2.851 1.00 54.14 C ATOM 1263 CD1 LEU A 560 -10.867 -18.494 2.393 1.00 1.14 C ATOM 1264 CD2 LEU A 560 -9.402 -18.946 4.370 1.00 51.21 C ATOM 0 H LEU A 560 -6.655 -19.137 1.820 1.00 32.35 H new ATOM 0 HA LEU A 560 -8.335 -21.164 0.458 1.00 30.54 H new ATOM 0 HB2 LEU A 560 -10.000 -20.812 2.047 1.00 53.25 H new ATOM 0 HB3 LEU A 560 -8.535 -20.816 3.008 1.00 53.25 H new ATOM 0 HG LEU A 560 -8.765 -18.152 2.496 1.00 54.14 H new ATOM 0 HD11 LEU A 560 -11.126 -17.528 2.827 1.00 1.14 H new ATOM 0 HD12 LEU A 560 -10.885 -18.420 1.306 1.00 1.14 H new ATOM 0 HD13 LEU A 560 -11.589 -19.243 2.718 1.00 1.14 H new ATOM 0 HD21 LEU A 560 -9.681 -17.974 4.777 1.00 51.21 H new ATOM 0 HD22 LEU A 560 -10.088 -19.706 4.744 1.00 51.21 H new ATOM 0 HD23 LEU A 560 -8.386 -19.191 4.679 1.00 51.21 H new ATOM 1276 N GLY A 561 -8.138 -17.941 0.123 1.00 32.14 N ATOM 1277 CA GLY A 561 -8.548 -16.828 -0.713 1.00 62.32 C ATOM 1278 C GLY A 561 -7.877 -16.847 -2.072 1.00 70.14 C ATOM 1279 O GLY A 561 -7.504 -17.908 -2.573 1.00 61.04 O ATOM 0 H GLY A 561 -7.353 -17.744 0.744 1.00 32.14 H new ATOM 0 HA2 GLY A 561 -9.630 -16.855 -0.845 1.00 62.32 H new ATOM 0 HA3 GLY A 561 -8.312 -15.892 -0.208 1.00 62.32 H new ATOM 1283 N ASP A 562 -7.725 -15.671 -2.671 1.00 63.33 N ATOM 1284 CA ASP A 562 -7.095 -15.557 -3.982 1.00 2.54 C ATOM 1285 C ASP A 562 -6.863 -14.094 -4.347 1.00 54.41 C ATOM 1286 O ASP A 562 -7.608 -13.212 -3.921 1.00 12.24 O ATOM 1287 CB ASP A 562 -7.960 -16.231 -5.048 1.00 2.33 C ATOM 1288 CG ASP A 562 -7.255 -16.333 -6.386 1.00 4.21 C ATOM 1289 OD1 ASP A 562 -6.014 -16.475 -6.394 1.00 3.23 O ATOM 1290 OD2 ASP A 562 -7.944 -16.272 -7.425 1.00 43.33 O ATOM 0 H ASP A 562 -8.029 -14.784 -2.270 1.00 63.33 H new ATOM 0 HA ASP A 562 -6.129 -16.060 -3.939 1.00 2.54 H new ATOM 0 HB2 ASP A 562 -8.237 -17.229 -4.709 1.00 2.33 H new ATOM 0 HB3 ASP A 562 -8.885 -15.668 -5.170 1.00 2.33 H new ATOM 1295 N ALA A 563 -5.825 -13.844 -5.138 1.00 53.24 N ATOM 1296 CA ALA A 563 -5.496 -12.488 -5.562 1.00 32.42 C ATOM 1297 C ALA A 563 -6.505 -11.972 -6.582 1.00 13.33 C ATOM 1298 O ALA A 563 -6.659 -12.544 -7.660 1.00 60.11 O ATOM 1299 CB ALA A 563 -4.089 -12.443 -6.139 1.00 11.33 C ATOM 0 H ALA A 563 -5.197 -14.563 -5.498 1.00 53.24 H new ATOM 0 HA ALA A 563 -5.539 -11.839 -4.687 1.00 32.42 H new ATOM 0 HB1 ALA A 563 -3.856 -11.425 -6.452 1.00 11.33 H new ATOM 0 HB2 ALA A 563 -3.374 -12.762 -5.380 1.00 11.33 H new ATOM 0 HB3 ALA A 563 -4.027 -13.110 -6.999 1.00 11.33 H new ATOM 1305 N GLN A 564 -7.190 -10.888 -6.233 1.00 12.54 N ATOM 1306 CA GLN A 564 -8.186 -10.295 -7.118 1.00 63.43 C ATOM 1307 C GLN A 564 -7.580 -9.975 -8.481 1.00 11.32 C ATOM 1308 O GLN A 564 -6.503 -9.384 -8.570 1.00 30.22 O ATOM 1309 CB GLN A 564 -8.765 -9.025 -6.493 1.00 22.34 C ATOM 1310 CG GLN A 564 -10.239 -8.815 -6.797 1.00 12.12 C ATOM 1311 CD GLN A 564 -11.118 -9.899 -6.204 1.00 62.04 C ATOM 1312 OE1 GLN A 564 -10.920 -10.320 -5.064 1.00 74.12 O ATOM 1313 NE2 GLN A 564 -12.095 -10.357 -6.977 1.00 74.44 N ATOM 0 H GLN A 564 -7.074 -10.402 -5.344 1.00 12.54 H new ATOM 0 HA GLN A 564 -8.988 -11.020 -7.258 1.00 63.43 H new ATOM 0 HB2 GLN A 564 -8.628 -9.067 -5.412 1.00 22.34 H new ATOM 0 HB3 GLN A 564 -8.202 -8.164 -6.853 1.00 22.34 H new ATOM 0 HG2 GLN A 564 -10.552 -7.846 -6.408 1.00 12.12 H new ATOM 0 HG3 GLN A 564 -10.383 -8.786 -7.877 1.00 12.12 H new ATOM 0 HE21 GLN A 564 -12.222 -9.979 -7.916 1.00 74.44 H new ATOM 0 HE22 GLN A 564 -12.718 -11.087 -6.632 1.00 74.44 H new