USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 662 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 480 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 486 MET CE :methyl 166:sc= -0.56 (180deg=-1.34) USER MOD Single : A 487 GLN : amide:sc= -2.38 K(o=-2.4,f=-3.7!) USER MOD Single : A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 503 HIS : no HD1:sc= -0.473 X(o=-0.47,f=-0.83) USER MOD Single : A 510 ASN : amide:sc= -0.0276 K(o=-0.028,f=-0.95) 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= -0.167 K(o=-0.17,f=-2.8!) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot -45:sc= 0.836 USER MOD Single : A 528 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.5) USER MOD Single : A 529 SER OG : rot -93:sc= 0.0729 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.0209 USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= -0.0751 K(o=-0.075,f=-1.9!) USER MOD Single : A 544 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.039) USER MOD Single : A 546 THR OG1 : rot -29:sc= 0.0604 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 ASN : amide:sc= -2.33 K(o=-2.3,f=-4.7) USER MOD Single : A 553 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 555 MET CE :methyl -149:sc= -0.172 (180deg=-0.954) USER MOD Single : A 556 ASN :FLIP amide:sc= 0.624 F(o=-0.024,f=0.62) USER MOD Single : A 557 MET CE :methyl -168:sc= 0 (180deg=-0.295) USER MOD Single : A 558 GLN : amide:sc= -0.358 K(o=-0.36,f=-1.2) USER MOD Single : A 564 GLN : amide:sc= -0.0257 K(o=-0.026,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 480 1.529 0.870 -1.992 1.00 23.13 N ATOM 2 CA MET A 480 0.816 -0.141 -1.219 1.00 51.35 C ATOM 3 C MET A 480 1.516 -1.492 -1.315 1.00 24.43 C ATOM 4 O MET A 480 1.653 -2.203 -0.319 1.00 52.40 O ATOM 5 CB MET A 480 -0.627 -0.265 -1.712 1.00 72.22 C ATOM 6 CG MET A 480 -0.740 -0.502 -3.210 1.00 2.45 C ATOM 7 SD MET A 480 -2.442 -0.424 -3.799 1.00 31.32 S ATOM 8 CE MET A 480 -2.191 -0.504 -5.570 1.00 51.54 C ATOM 0 HA MET A 480 0.811 0.172 -0.175 1.00 51.35 H new ATOM 0 HB2 MET A 480 -1.113 -1.086 -1.185 1.00 72.22 H new ATOM 0 HB3 MET A 480 -1.170 0.645 -1.454 1.00 72.22 H new ATOM 0 HG2 MET A 480 -0.143 0.242 -3.738 1.00 2.45 H new ATOM 0 HG3 MET A 480 -0.320 -1.478 -3.452 1.00 2.45 H new ATOM 0 HE1 MET A 480 -3.156 -0.466 -6.076 1.00 51.54 H new ATOM 0 HE2 MET A 480 -1.580 0.340 -5.889 1.00 51.54 H new ATOM 0 HE3 MET A 480 -1.684 -1.435 -5.824 1.00 51.54 H new ATOM 18 N ALA A 481 1.958 -1.841 -2.519 1.00 22.45 N ATOM 19 CA ALA A 481 2.646 -3.107 -2.743 1.00 11.04 C ATOM 20 C ALA A 481 3.279 -3.150 -4.129 1.00 51.22 C ATOM 21 O ALA A 481 3.338 -2.137 -4.827 1.00 35.12 O ATOM 22 CB ALA A 481 1.682 -4.270 -2.564 1.00 73.42 C ATOM 0 H ALA A 481 1.852 -1.265 -3.354 1.00 22.45 H new ATOM 0 HA ALA A 481 3.444 -3.194 -2.006 1.00 11.04 H new ATOM 0 HB1 ALA A 481 2.209 -5.209 -2.734 1.00 73.42 H new ATOM 0 HB2 ALA A 481 1.281 -4.257 -1.551 1.00 73.42 H new ATOM 0 HB3 ALA A 481 0.864 -4.178 -3.279 1.00 73.42 H new ATOM 28 N ASP A 482 3.752 -4.327 -4.522 1.00 72.33 N ATOM 29 CA ASP A 482 4.381 -4.502 -5.826 1.00 54.04 C ATOM 30 C ASP A 482 3.338 -4.816 -6.895 1.00 11.12 C ATOM 31 O ASP A 482 3.426 -4.334 -8.024 1.00 65.12 O ATOM 32 CB ASP A 482 5.422 -5.620 -5.768 1.00 62.55 C ATOM 33 CG ASP A 482 6.660 -5.301 -6.583 1.00 63.41 C ATOM 34 OD1 ASP A 482 7.239 -6.237 -7.174 1.00 65.01 O ATOM 35 OD2 ASP A 482 7.050 -4.116 -6.630 1.00 74.04 O ATOM 0 H ASP A 482 3.712 -5.175 -3.956 1.00 72.33 H new ATOM 0 HA ASP A 482 4.877 -3.568 -6.091 1.00 54.04 H new ATOM 0 HB2 ASP A 482 5.708 -5.793 -4.730 1.00 62.55 H new ATOM 0 HB3 ASP A 482 4.978 -6.545 -6.134 1.00 62.55 H new ATOM 40 N VAL A 483 2.350 -5.628 -6.530 1.00 44.23 N ATOM 41 CA VAL A 483 1.290 -6.006 -7.457 1.00 65.41 C ATOM 42 C VAL A 483 -0.082 -5.873 -6.806 1.00 62.55 C ATOM 43 O VAL A 483 -1.040 -5.429 -7.438 1.00 64.41 O ATOM 44 CB VAL A 483 1.472 -7.452 -7.957 1.00 13.02 C ATOM 45 CG1 VAL A 483 1.577 -8.414 -6.783 1.00 3.40 C ATOM 46 CG2 VAL A 483 0.326 -7.845 -8.877 1.00 52.20 C ATOM 0 H VAL A 483 2.262 -6.036 -5.599 1.00 44.23 H new ATOM 0 HA VAL A 483 1.353 -5.325 -8.306 1.00 65.41 H new ATOM 0 HB VAL A 483 2.400 -7.507 -8.525 1.00 13.02 H new ATOM 0 HG11 VAL A 483 1.705 -9.430 -7.156 1.00 3.40 H new ATOM 0 HG12 VAL A 483 2.434 -8.143 -6.166 1.00 3.40 H new ATOM 0 HG13 VAL A 483 0.667 -8.359 -6.185 1.00 3.40 H new ATOM 0 HG21 VAL A 483 0.470 -8.869 -9.221 1.00 52.20 H new ATOM 0 HG22 VAL A 483 -0.617 -7.774 -8.335 1.00 52.20 H new ATOM 0 HG23 VAL A 483 0.302 -7.174 -9.736 1.00 52.20 H new ATOM 56 N GLY A 484 -0.169 -6.262 -5.538 1.00 15.53 N ATOM 57 CA GLY A 484 -1.429 -6.178 -4.822 1.00 1.44 C ATOM 58 C GLY A 484 -1.899 -7.527 -4.316 1.00 13.22 C ATOM 59 O GLY A 484 -3.098 -7.751 -4.148 1.00 72.15 O ATOM 0 H GLY A 484 0.610 -6.634 -4.994 1.00 15.53 H new ATOM 0 HA2 GLY A 484 -1.320 -5.495 -3.979 1.00 1.44 H new ATOM 0 HA3 GLY A 484 -2.189 -5.755 -5.479 1.00 1.44 H new ATOM 63 N ASP A 485 -0.954 -8.428 -4.073 1.00 71.12 N ATOM 64 CA ASP A 485 -1.278 -9.763 -3.584 1.00 71.20 C ATOM 65 C ASP A 485 -2.174 -9.688 -2.352 1.00 0.14 C ATOM 66 O ASP A 485 -1.705 -9.414 -1.247 1.00 51.34 O ATOM 67 CB ASP A 485 0.002 -10.533 -3.253 1.00 55.14 C ATOM 68 CG ASP A 485 -0.141 -12.023 -3.493 1.00 20.21 C ATOM 69 OD1 ASP A 485 -1.118 -12.615 -2.988 1.00 54.21 O ATOM 70 OD2 ASP A 485 0.724 -12.598 -4.186 1.00 3.32 O ATOM 0 H ASP A 485 0.043 -8.258 -4.207 1.00 71.12 H new ATOM 0 HA ASP A 485 -1.817 -10.290 -4.371 1.00 71.20 H new ATOM 0 HB2 ASP A 485 0.822 -10.147 -3.859 1.00 55.14 H new ATOM 0 HB3 ASP A 485 0.268 -10.360 -2.210 1.00 55.14 H new ATOM 75 N MET A 486 -3.465 -9.932 -2.549 1.00 53.03 N ATOM 76 CA MET A 486 -4.427 -9.892 -1.453 1.00 43.34 C ATOM 77 C MET A 486 -5.144 -11.230 -1.310 1.00 74.14 C ATOM 78 O MET A 486 -5.813 -11.687 -2.237 1.00 33.12 O ATOM 79 CB MET A 486 -5.447 -8.775 -1.682 1.00 42.33 C ATOM 80 CG MET A 486 -6.518 -8.700 -0.606 1.00 42.13 C ATOM 81 SD MET A 486 -8.185 -8.630 -1.289 1.00 70.53 S ATOM 82 CE MET A 486 -8.343 -10.282 -1.964 1.00 54.03 C ATOM 0 H MET A 486 -3.870 -10.160 -3.457 1.00 53.03 H new ATOM 0 HA MET A 486 -3.881 -9.692 -0.531 1.00 43.34 H new ATOM 0 HB2 MET A 486 -4.923 -7.820 -1.729 1.00 42.33 H new ATOM 0 HB3 MET A 486 -5.926 -8.924 -2.650 1.00 42.33 H new ATOM 0 HG2 MET A 486 -6.433 -9.569 0.047 1.00 42.13 H new ATOM 0 HG3 MET A 486 -6.345 -7.819 0.012 1.00 42.13 H new ATOM 0 HE1 MET A 486 -9.389 -10.481 -2.197 1.00 54.03 H new ATOM 0 HE2 MET A 486 -7.747 -10.362 -2.873 1.00 54.03 H new ATOM 0 HE3 MET A 486 -7.989 -11.009 -1.233 1.00 54.03 H new ATOM 92 N GLN A 487 -5.000 -11.852 -0.145 1.00 20.41 N ATOM 93 CA GLN A 487 -5.634 -13.139 0.117 1.00 12.13 C ATOM 94 C GLN A 487 -5.918 -13.313 1.606 1.00 52.53 C ATOM 95 O GLN A 487 -5.527 -12.480 2.424 1.00 1.45 O ATOM 96 CB GLN A 487 -4.746 -14.280 -0.381 1.00 71.21 C ATOM 97 CG GLN A 487 -4.319 -14.130 -1.832 1.00 40.42 C ATOM 98 CD GLN A 487 -3.440 -15.271 -2.303 1.00 70.44 C ATOM 99 OE1 GLN A 487 -2.645 -15.815 -1.537 1.00 23.14 O ATOM 100 NE2 GLN A 487 -3.579 -15.642 -3.571 1.00 50.40 N ATOM 0 H GLN A 487 -4.450 -11.486 0.632 1.00 20.41 H new ATOM 0 HA GLN A 487 -6.582 -13.164 -0.421 1.00 12.13 H new ATOM 0 HB2 GLN A 487 -3.857 -14.338 0.247 1.00 71.21 H new ATOM 0 HB3 GLN A 487 -5.280 -15.223 -0.264 1.00 71.21 H new ATOM 0 HG2 GLN A 487 -5.206 -14.075 -2.464 1.00 40.42 H new ATOM 0 HG3 GLN A 487 -3.782 -13.189 -1.953 1.00 40.42 H new ATOM 0 HE21 GLN A 487 -4.250 -15.164 -4.172 1.00 50.40 H new ATOM 0 HE22 GLN A 487 -3.014 -16.405 -3.944 1.00 50.40 H new ATOM 109 N LEU A 488 -6.601 -14.399 1.950 1.00 52.33 N ATOM 110 CA LEU A 488 -6.938 -14.682 3.340 1.00 13.05 C ATOM 111 C LEU A 488 -6.282 -15.978 3.807 1.00 55.23 C ATOM 112 O LEU A 488 -6.656 -17.067 3.369 1.00 5.44 O ATOM 113 CB LEU A 488 -8.456 -14.776 3.509 1.00 2.41 C ATOM 114 CG LEU A 488 -8.972 -14.780 4.948 1.00 31.34 C ATOM 115 CD1 LEU A 488 -8.694 -13.444 5.620 1.00 63.43 C ATOM 116 CD2 LEU A 488 -10.461 -15.095 4.980 1.00 64.11 C ATOM 0 H LEU A 488 -6.932 -15.098 1.285 1.00 52.33 H new ATOM 0 HA LEU A 488 -6.560 -13.864 3.953 1.00 13.05 H new ATOM 0 HB2 LEU A 488 -8.913 -13.938 2.983 1.00 2.41 H new ATOM 0 HB3 LEU A 488 -8.800 -15.686 3.018 1.00 2.41 H new ATOM 0 HG LEU A 488 -8.444 -15.557 5.500 1.00 31.34 H new ATOM 0 HD11 LEU A 488 -9.069 -13.467 6.643 1.00 63.43 H new ATOM 0 HD12 LEU A 488 -7.620 -13.259 5.631 1.00 63.43 H new ATOM 0 HD13 LEU A 488 -9.194 -12.648 5.068 1.00 63.43 H new ATOM 0 HD21 LEU A 488 -10.811 -15.094 6.012 1.00 64.11 H new ATOM 0 HD22 LEU A 488 -11.005 -14.341 4.411 1.00 64.11 H new ATOM 0 HD23 LEU A 488 -10.635 -16.077 4.539 1.00 64.11 H new ATOM 128 N TYR A 489 -5.305 -15.853 4.698 1.00 55.21 N ATOM 129 CA TYR A 489 -4.597 -17.014 5.224 1.00 54.13 C ATOM 130 C TYR A 489 -4.969 -17.264 6.682 1.00 3.12 C ATOM 131 O TYR A 489 -4.733 -16.421 7.548 1.00 44.23 O ATOM 132 CB TYR A 489 -3.086 -16.816 5.097 1.00 21.12 C ATOM 133 CG TYR A 489 -2.690 -15.860 3.995 1.00 75.04 C ATOM 134 CD1 TYR A 489 -2.616 -14.492 4.228 1.00 33.20 C ATOM 135 CD2 TYR A 489 -2.392 -16.324 2.720 1.00 50.04 C ATOM 136 CE1 TYR A 489 -2.256 -13.615 3.224 1.00 52.34 C ATOM 137 CE2 TYR A 489 -2.030 -15.454 1.710 1.00 65.04 C ATOM 138 CZ TYR A 489 -1.963 -14.100 1.966 1.00 33.54 C ATOM 139 OH TYR A 489 -1.604 -13.230 0.963 1.00 60.54 O ATOM 0 H TYR A 489 -4.985 -14.959 5.071 1.00 55.21 H new ATOM 0 HA TYR A 489 -4.893 -17.885 4.639 1.00 54.13 H new ATOM 0 HB2 TYR A 489 -2.696 -16.446 6.045 1.00 21.12 H new ATOM 0 HB3 TYR A 489 -2.616 -17.782 4.914 1.00 21.12 H new ATOM 0 HD1 TYR A 489 -2.844 -14.108 5.211 1.00 33.20 H new ATOM 0 HD2 TYR A 489 -2.444 -17.383 2.515 1.00 50.04 H new ATOM 0 HE1 TYR A 489 -2.204 -12.555 3.422 1.00 52.34 H new ATOM 0 HE2 TYR A 489 -1.801 -15.832 0.725 1.00 65.04 H new ATOM 0 HH TYR A 489 -1.430 -13.733 0.140 1.00 60.54 H new ATOM 149 N ARG A 490 -5.551 -18.429 6.946 1.00 23.14 N ATOM 150 CA ARG A 490 -5.956 -18.791 8.299 1.00 24.52 C ATOM 151 C ARG A 490 -4.943 -19.740 8.934 1.00 1.12 C ATOM 152 O ARG A 490 -4.536 -20.729 8.323 1.00 12.33 O ATOM 153 CB ARG A 490 -7.340 -19.443 8.283 1.00 42.21 C ATOM 154 CG ARG A 490 -7.384 -20.760 7.525 1.00 13.41 C ATOM 155 CD ARG A 490 -7.377 -21.948 8.473 1.00 24.53 C ATOM 156 NE ARG A 490 -6.872 -23.158 7.830 1.00 64.41 N ATOM 157 CZ ARG A 490 -7.599 -23.917 7.018 1.00 71.22 C ATOM 158 NH1 ARG A 490 -8.856 -23.592 6.751 1.00 75.32 N ATOM 159 NH2 ARG A 490 -7.069 -25.003 6.470 1.00 23.33 N ATOM 0 H ARG A 490 -5.753 -19.138 6.241 1.00 23.14 H new ATOM 0 HA ARG A 490 -5.998 -17.879 8.895 1.00 24.52 H new ATOM 0 HB2 ARG A 490 -7.664 -19.613 9.310 1.00 42.21 H new ATOM 0 HB3 ARG A 490 -8.053 -18.751 7.834 1.00 42.21 H new ATOM 0 HG2 ARG A 490 -8.279 -20.794 6.904 1.00 13.41 H new ATOM 0 HG3 ARG A 490 -6.528 -20.824 6.854 1.00 13.41 H new ATOM 0 HD2 ARG A 490 -6.761 -21.715 9.342 1.00 24.53 H new ATOM 0 HD3 ARG A 490 -8.388 -22.127 8.838 1.00 24.53 H new ATOM 0 HE ARG A 490 -5.908 -23.435 8.015 1.00 64.41 H new ATOM 0 HH11 ARG A 490 -9.267 -22.757 7.169 1.00 75.32 H new ATOM 0 HH12 ARG A 490 -9.412 -24.176 6.127 1.00 75.32 H new ATOM 0 HH21 ARG A 490 -6.102 -25.256 6.672 1.00 23.33 H new ATOM 0 HH22 ARG A 490 -7.629 -25.585 5.847 1.00 23.33 H new ATOM 173 N ILE A 491 -4.540 -19.431 10.162 1.00 32.22 N ATOM 174 CA ILE A 491 -3.576 -20.256 10.879 1.00 21.23 C ATOM 175 C ILE A 491 -4.271 -21.158 11.894 1.00 41.21 C ATOM 176 O ILE A 491 -5.460 -20.999 12.167 1.00 1.15 O ATOM 177 CB ILE A 491 -2.529 -19.393 11.608 1.00 30.44 C ATOM 178 CG1 ILE A 491 -3.191 -18.589 12.729 1.00 5.41 C ATOM 179 CG2 ILE A 491 -1.829 -18.467 10.626 1.00 51.34 C ATOM 180 CD1 ILE A 491 -2.214 -17.766 13.540 1.00 22.42 C ATOM 0 H ILE A 491 -4.866 -18.616 10.681 1.00 32.22 H new ATOM 0 HA ILE A 491 -3.072 -20.872 10.134 1.00 21.23 H new ATOM 0 HB ILE A 491 -1.782 -20.051 12.051 1.00 30.44 H new ATOM 0 HG12 ILE A 491 -3.940 -17.926 12.296 1.00 5.41 H new ATOM 0 HG13 ILE A 491 -3.717 -19.274 13.394 1.00 5.41 H new ATOM 0 HG21 ILE A 491 -1.092 -17.864 11.157 1.00 51.34 H new ATOM 0 HG22 ILE A 491 -1.329 -19.060 9.860 1.00 51.34 H new ATOM 0 HG23 ILE A 491 -2.563 -17.813 10.156 1.00 51.34 H new ATOM 0 HD11 ILE A 491 -2.753 -17.223 14.316 1.00 22.42 H new ATOM 0 HD12 ILE A 491 -1.479 -18.425 14.002 1.00 22.42 H new ATOM 0 HD13 ILE A 491 -1.706 -17.057 12.887 1.00 22.42 H new ATOM 192 N GLU A 492 -3.520 -22.103 12.450 1.00 65.34 N ATOM 193 CA GLU A 492 -4.064 -23.030 13.435 1.00 11.23 C ATOM 194 C GLU A 492 -3.736 -22.571 14.853 1.00 2.30 C ATOM 195 O GLU A 492 -3.239 -23.347 15.670 1.00 50.44 O ATOM 196 CB GLU A 492 -3.513 -24.438 13.203 1.00 30.21 C ATOM 197 CG GLU A 492 -4.218 -25.510 14.017 1.00 14.34 C ATOM 198 CD GLU A 492 -4.004 -26.903 13.459 1.00 51.15 C ATOM 199 OE1 GLU A 492 -3.463 -27.759 14.189 1.00 74.10 O ATOM 200 OE2 GLU A 492 -4.378 -27.137 12.290 1.00 42.51 O ATOM 0 H GLU A 492 -2.533 -22.247 12.235 1.00 65.34 H new ATOM 0 HA GLU A 492 -5.148 -23.048 13.319 1.00 11.23 H new ATOM 0 HB2 GLU A 492 -3.599 -24.683 12.144 1.00 30.21 H new ATOM 0 HB3 GLU A 492 -2.451 -24.448 13.447 1.00 30.21 H new ATOM 0 HG2 GLU A 492 -3.858 -25.476 15.045 1.00 14.34 H new ATOM 0 HG3 GLU A 492 -5.286 -25.295 14.046 1.00 14.34 H new ATOM 207 N VAL A 493 -4.017 -21.303 15.138 1.00 24.03 N ATOM 208 CA VAL A 493 -3.752 -20.739 16.457 1.00 72.43 C ATOM 209 C VAL A 493 -4.845 -19.758 16.864 1.00 53.20 C ATOM 210 O VAL A 493 -5.279 -18.929 16.065 1.00 74.31 O ATOM 211 CB VAL A 493 -2.391 -20.020 16.497 1.00 63.31 C ATOM 212 CG1 VAL A 493 -1.991 -19.713 17.932 1.00 30.31 C ATOM 213 CG2 VAL A 493 -1.326 -20.858 15.806 1.00 64.03 C ATOM 0 H VAL A 493 -4.428 -20.647 14.474 1.00 24.03 H new ATOM 0 HA VAL A 493 -3.735 -21.572 17.160 1.00 72.43 H new ATOM 0 HB VAL A 493 -2.483 -19.075 15.961 1.00 63.31 H new ATOM 0 HG11 VAL A 493 -1.027 -19.205 17.940 1.00 30.31 H new ATOM 0 HG12 VAL A 493 -2.743 -19.071 18.390 1.00 30.31 H new ATOM 0 HG13 VAL A 493 -1.916 -20.643 18.496 1.00 30.31 H new ATOM 0 HG21 VAL A 493 -0.370 -20.335 15.843 1.00 64.03 H new ATOM 0 HG22 VAL A 493 -1.234 -21.819 16.312 1.00 64.03 H new ATOM 0 HG23 VAL A 493 -1.610 -21.022 14.766 1.00 64.03 H new ATOM 223 N GLY A 494 -5.286 -19.857 18.114 1.00 14.04 N ATOM 224 CA GLY A 494 -6.325 -18.971 18.607 1.00 73.50 C ATOM 225 C GLY A 494 -6.154 -18.637 20.075 1.00 31.25 C ATOM 226 O GLY A 494 -5.115 -18.929 20.668 1.00 12.33 O ATOM 0 H GLY A 494 -4.943 -20.535 18.794 1.00 14.04 H new ATOM 0 HA2 GLY A 494 -6.319 -18.049 18.025 1.00 73.50 H new ATOM 0 HA3 GLY A 494 -7.298 -19.437 18.455 1.00 73.50 H new ATOM 230 N ARG A 495 -7.175 -18.022 20.664 1.00 61.23 N ATOM 231 CA ARG A 495 -7.131 -17.645 22.071 1.00 33.23 C ATOM 232 C ARG A 495 -6.849 -18.860 22.951 1.00 15.30 C ATOM 233 O ARG A 495 -6.222 -18.744 24.004 1.00 42.12 O ATOM 234 CB ARG A 495 -8.452 -16.996 22.488 1.00 10.54 C ATOM 235 CG ARG A 495 -9.673 -17.846 22.180 1.00 73.11 C ATOM 236 CD ARG A 495 -10.913 -17.316 22.883 1.00 32.53 C ATOM 237 NE ARG A 495 -11.539 -16.225 22.142 1.00 40.02 N ATOM 238 CZ ARG A 495 -12.792 -15.829 22.335 1.00 72.13 C ATOM 239 NH1 ARG A 495 -13.549 -16.432 23.241 1.00 12.10 N ATOM 240 NH2 ARG A 495 -13.290 -14.828 21.620 1.00 14.15 N ATOM 0 H ARG A 495 -8.043 -17.775 20.188 1.00 61.23 H new ATOM 0 HA ARG A 495 -6.322 -16.926 22.204 1.00 33.23 H new ATOM 0 HB2 ARG A 495 -8.424 -16.790 23.558 1.00 10.54 H new ATOM 0 HB3 ARG A 495 -8.551 -16.036 21.981 1.00 10.54 H new ATOM 0 HG2 ARG A 495 -9.843 -17.863 21.104 1.00 73.11 H new ATOM 0 HG3 ARG A 495 -9.489 -18.875 22.490 1.00 73.11 H new ATOM 0 HD2 ARG A 495 -11.631 -18.126 23.011 1.00 32.53 H new ATOM 0 HD3 ARG A 495 -10.643 -16.969 23.880 1.00 32.53 H new ATOM 0 HE ARG A 495 -10.984 -15.740 21.437 1.00 40.02 H new ATOM 0 HH11 ARG A 495 -13.169 -17.202 23.792 1.00 12.10 H new ATOM 0 HH12 ARG A 495 -14.511 -16.126 23.387 1.00 12.10 H new ATOM 0 HH21 ARG A 495 -12.710 -14.362 20.922 1.00 14.15 H new ATOM 0 HH22 ARG A 495 -14.252 -14.524 21.769 1.00 14.15 H new ATOM 254 N ASP A 496 -7.318 -20.023 22.512 1.00 0.24 N ATOM 255 CA ASP A 496 -7.116 -21.259 23.259 1.00 31.01 C ATOM 256 C ASP A 496 -5.682 -21.757 23.108 1.00 31.12 C ATOM 257 O ASP A 496 -5.213 -22.577 23.898 1.00 2.40 O ATOM 258 CB ASP A 496 -8.095 -22.333 22.783 1.00 71.32 C ATOM 259 CG ASP A 496 -8.495 -23.285 23.893 1.00 54.01 C ATOM 260 OD1 ASP A 496 -8.756 -22.808 25.017 1.00 23.42 O ATOM 261 OD2 ASP A 496 -8.548 -24.507 23.638 1.00 44.44 O ATOM 0 H ASP A 496 -7.840 -20.136 21.643 1.00 0.24 H new ATOM 0 HA ASP A 496 -7.300 -21.052 24.313 1.00 31.01 H new ATOM 0 HB2 ASP A 496 -8.987 -21.854 22.380 1.00 71.32 H new ATOM 0 HB3 ASP A 496 -7.642 -22.899 21.969 1.00 71.32 H new ATOM 266 N ASP A 497 -4.992 -21.258 22.089 1.00 51.41 N ATOM 267 CA ASP A 497 -3.611 -21.652 21.834 1.00 14.40 C ATOM 268 C ASP A 497 -2.638 -20.665 22.472 1.00 32.20 C ATOM 269 O ASP A 497 -1.613 -21.059 23.025 1.00 24.35 O ATOM 270 CB ASP A 497 -3.353 -21.741 20.329 1.00 14.41 C ATOM 271 CG ASP A 497 -2.052 -22.447 20.006 1.00 62.25 C ATOM 272 OD1 ASP A 497 -1.079 -22.278 20.770 1.00 52.40 O ATOM 273 OD2 ASP A 497 -2.005 -23.169 18.987 1.00 33.24 O ATOM 0 H ASP A 497 -5.366 -20.580 21.426 1.00 51.41 H new ATOM 0 HA ASP A 497 -3.451 -22.633 22.281 1.00 14.40 H new ATOM 0 HB2 ASP A 497 -4.178 -22.270 19.852 1.00 14.41 H new ATOM 0 HB3 ASP A 497 -3.332 -20.736 19.907 1.00 14.41 H new ATOM 278 N GLY A 498 -2.967 -19.379 22.389 1.00 31.54 N ATOM 279 CA GLY A 498 -2.111 -18.357 22.962 1.00 54.43 C ATOM 280 C GLY A 498 -1.894 -17.189 22.020 1.00 51.11 C ATOM 281 O GLY A 498 -0.813 -16.600 21.988 1.00 33.21 O ATOM 0 H GLY A 498 -3.810 -19.027 21.936 1.00 31.54 H new ATOM 0 HA2 GLY A 498 -2.554 -17.994 23.890 1.00 54.43 H new ATOM 0 HA3 GLY A 498 -1.147 -18.797 23.219 1.00 54.43 H new ATOM 285 N VAL A 499 -2.923 -16.853 21.249 1.00 73.25 N ATOM 286 CA VAL A 499 -2.840 -15.749 20.301 1.00 40.54 C ATOM 287 C VAL A 499 -4.093 -14.882 20.355 1.00 73.23 C ATOM 288 O VAL A 499 -5.183 -15.369 20.654 1.00 0.25 O ATOM 289 CB VAL A 499 -2.643 -16.258 18.861 1.00 73.34 C ATOM 290 CG1 VAL A 499 -3.960 -16.758 18.286 1.00 31.13 C ATOM 291 CG2 VAL A 499 -2.051 -15.164 17.985 1.00 73.42 C ATOM 0 H VAL A 499 -3.824 -17.330 21.263 1.00 73.25 H new ATOM 0 HA VAL A 499 -1.975 -15.151 20.588 1.00 40.54 H new ATOM 0 HB VAL A 499 -1.943 -17.093 18.883 1.00 73.34 H new ATOM 0 HG11 VAL A 499 -3.801 -17.114 17.268 1.00 31.13 H new ATOM 0 HG12 VAL A 499 -4.339 -17.575 18.901 1.00 31.13 H new ATOM 0 HG13 VAL A 499 -4.685 -15.944 18.277 1.00 31.13 H new ATOM 0 HG21 VAL A 499 -1.919 -15.542 16.971 1.00 73.42 H new ATOM 0 HG22 VAL A 499 -2.724 -14.307 17.968 1.00 73.42 H new ATOM 0 HG23 VAL A 499 -1.085 -14.859 18.387 1.00 73.42 H new ATOM 301 N GLU A 500 -3.930 -13.596 20.062 1.00 51.22 N ATOM 302 CA GLU A 500 -5.049 -12.661 20.078 1.00 74.55 C ATOM 303 C GLU A 500 -5.132 -11.889 18.764 1.00 21.01 C ATOM 304 O GLU A 500 -4.401 -12.175 17.816 1.00 45.41 O ATOM 305 CB GLU A 500 -4.912 -11.686 21.248 1.00 4.40 C ATOM 306 CG GLU A 500 -4.454 -12.344 22.539 1.00 73.12 C ATOM 307 CD GLU A 500 -5.110 -11.740 23.766 1.00 64.23 C ATOM 308 OE1 GLU A 500 -4.705 -10.630 24.170 1.00 63.34 O ATOM 309 OE2 GLU A 500 -6.028 -12.378 24.322 1.00 60.43 O ATOM 0 H GLU A 500 -3.034 -13.178 19.811 1.00 51.22 H new ATOM 0 HA GLU A 500 -5.967 -13.236 20.200 1.00 74.55 H new ATOM 0 HB2 GLU A 500 -4.202 -10.904 20.977 1.00 4.40 H new ATOM 0 HB3 GLU A 500 -5.872 -11.200 21.419 1.00 4.40 H new ATOM 0 HG2 GLU A 500 -4.679 -13.410 22.499 1.00 73.12 H new ATOM 0 HG3 GLU A 500 -3.372 -12.250 22.627 1.00 73.12 H new ATOM 316 N VAL A 501 -6.029 -10.909 18.716 1.00 3.10 N ATOM 317 CA VAL A 501 -6.208 -10.094 17.520 1.00 25.31 C ATOM 318 C VAL A 501 -5.087 -9.070 17.380 1.00 63.40 C ATOM 319 O VAL A 501 -4.698 -8.708 16.269 1.00 33.43 O ATOM 320 CB VAL A 501 -7.561 -9.359 17.539 1.00 4.44 C ATOM 321 CG1 VAL A 501 -7.686 -8.440 16.334 1.00 53.14 C ATOM 322 CG2 VAL A 501 -8.708 -10.356 17.582 1.00 34.10 C ATOM 0 H VAL A 501 -6.643 -10.660 19.492 1.00 3.10 H new ATOM 0 HA VAL A 501 -6.184 -10.773 16.668 1.00 25.31 H new ATOM 0 HB VAL A 501 -7.610 -8.746 18.439 1.00 4.44 H new ATOM 0 HG11 VAL A 501 -8.648 -7.929 16.364 1.00 53.14 H new ATOM 0 HG12 VAL A 501 -6.883 -7.703 16.354 1.00 53.14 H new ATOM 0 HG13 VAL A 501 -7.616 -9.028 15.419 1.00 53.14 H new ATOM 0 HG21 VAL A 501 -9.656 -9.819 17.595 1.00 34.10 H new ATOM 0 HG22 VAL A 501 -8.666 -10.997 16.702 1.00 34.10 H new ATOM 0 HG23 VAL A 501 -8.625 -10.968 18.480 1.00 34.10 H new ATOM 332 N ARG A 502 -4.570 -8.608 18.514 1.00 54.53 N ATOM 333 CA ARG A 502 -3.494 -7.624 18.518 1.00 61.34 C ATOM 334 C ARG A 502 -2.131 -8.310 18.479 1.00 13.11 C ATOM 335 O ARG A 502 -1.093 -7.649 18.441 1.00 41.01 O ATOM 336 CB ARG A 502 -3.593 -6.733 19.757 1.00 54.33 C ATOM 337 CG ARG A 502 -3.634 -7.508 21.063 1.00 33.23 C ATOM 338 CD ARG A 502 -3.382 -6.601 22.258 1.00 63.25 C ATOM 339 NE ARG A 502 -4.545 -5.777 22.575 1.00 60.31 N ATOM 340 CZ ARG A 502 -5.615 -6.232 23.218 1.00 64.42 C ATOM 341 NH1 ARG A 502 -5.668 -7.498 23.610 1.00 3.22 N ATOM 342 NH2 ARG A 502 -6.634 -5.421 23.470 1.00 23.00 N ATOM 0 H ARG A 502 -4.879 -8.899 19.441 1.00 54.53 H new ATOM 0 HA ARG A 502 -3.597 -7.006 17.626 1.00 61.34 H new ATOM 0 HB2 ARG A 502 -2.741 -6.053 19.774 1.00 54.33 H new ATOM 0 HB3 ARG A 502 -4.490 -6.118 19.681 1.00 54.33 H new ATOM 0 HG2 ARG A 502 -4.605 -7.991 21.170 1.00 33.23 H new ATOM 0 HG3 ARG A 502 -2.885 -8.299 21.041 1.00 33.23 H new ATOM 0 HD2 ARG A 502 -3.121 -7.208 23.125 1.00 63.25 H new ATOM 0 HD3 ARG A 502 -2.527 -5.957 22.050 1.00 63.25 H new ATOM 0 HE ARG A 502 -4.535 -4.799 22.287 1.00 60.31 H new ATOM 0 HH11 ARG A 502 -4.886 -8.124 23.418 1.00 3.22 H new ATOM 0 HH12 ARG A 502 -6.490 -7.845 24.103 1.00 3.22 H new ATOM 0 HH21 ARG A 502 -6.597 -4.447 23.170 1.00 23.00 H new ATOM 0 HH22 ARG A 502 -7.455 -5.772 23.964 1.00 23.00 H new ATOM 356 N HIS A 503 -2.143 -9.639 18.490 1.00 63.10 N ATOM 357 CA HIS A 503 -0.908 -10.415 18.456 1.00 2.42 C ATOM 358 C HIS A 503 -0.416 -10.591 17.023 1.00 41.22 C ATOM 359 O HIS A 503 0.708 -10.212 16.691 1.00 13.32 O ATOM 360 CB HIS A 503 -1.121 -11.782 19.106 1.00 14.12 C ATOM 361 CG HIS A 503 0.108 -12.333 19.760 1.00 2.01 C ATOM 362 ND1 HIS A 503 0.070 -13.314 20.728 1.00 63.40 N ATOM 363 CD2 HIS A 503 1.416 -12.036 19.579 1.00 42.42 C ATOM 364 CE1 HIS A 503 1.302 -13.596 21.115 1.00 13.40 C ATOM 365 NE2 HIS A 503 2.137 -12.834 20.433 1.00 43.35 N ATOM 0 H HIS A 503 -2.994 -10.201 18.522 1.00 63.10 H new ATOM 0 HA HIS A 503 -0.150 -9.869 19.017 1.00 2.42 H new ATOM 0 HB2 HIS A 503 -1.913 -11.702 19.850 1.00 14.12 H new ATOM 0 HB3 HIS A 503 -1.466 -12.486 18.348 1.00 14.12 H new ATOM 0 HD2 HIS A 503 1.818 -11.307 18.891 1.00 42.42 H new ATOM 0 HE1 HIS A 503 1.578 -14.325 21.862 1.00 13.40 H new ATOM 0 HE2 HIS A 503 3.153 -12.837 20.525 1.00 43.35 H new ATOM 373 N ILE A 504 -1.264 -11.168 16.178 1.00 23.43 N ATOM 374 CA ILE A 504 -0.915 -11.394 14.781 1.00 22.12 C ATOM 375 C ILE A 504 -0.852 -10.080 14.011 1.00 4.51 C ATOM 376 O ILE A 504 -0.152 -9.971 13.004 1.00 53.43 O ATOM 377 CB ILE A 504 -1.925 -12.331 14.093 1.00 22.30 C ATOM 378 CG1 ILE A 504 -3.206 -11.570 13.748 1.00 74.23 C ATOM 379 CG2 ILE A 504 -2.235 -13.524 14.986 1.00 45.51 C ATOM 380 CD1 ILE A 504 -4.040 -11.210 14.958 1.00 43.34 C ATOM 0 H ILE A 504 -2.198 -11.487 16.437 1.00 23.43 H new ATOM 0 HA ILE A 504 0.068 -11.864 14.773 1.00 22.12 H new ATOM 0 HB ILE A 504 -1.483 -12.700 13.167 1.00 22.30 H new ATOM 0 HG12 ILE A 504 -2.944 -10.657 13.213 1.00 74.23 H new ATOM 0 HG13 ILE A 504 -3.807 -12.175 13.070 1.00 74.23 H new ATOM 0 HG21 ILE A 504 -2.950 -14.177 14.486 1.00 45.51 H new ATOM 0 HG22 ILE A 504 -1.317 -14.077 15.186 1.00 45.51 H new ATOM 0 HG23 ILE A 504 -2.660 -13.174 15.927 1.00 45.51 H new ATOM 0 HD11 ILE A 504 -4.932 -10.672 14.638 1.00 43.34 H new ATOM 0 HD12 ILE A 504 -4.333 -12.120 15.482 1.00 43.34 H new ATOM 0 HD13 ILE A 504 -3.456 -10.578 15.627 1.00 43.34 H new ATOM 392 N VAL A 505 -1.586 -9.082 14.493 1.00 1.30 N ATOM 393 CA VAL A 505 -1.611 -7.772 13.852 1.00 74.40 C ATOM 394 C VAL A 505 -0.382 -6.953 14.227 1.00 41.10 C ATOM 395 O VAL A 505 0.382 -6.528 13.361 1.00 13.10 O ATOM 396 CB VAL A 505 -2.877 -6.984 14.237 1.00 53.24 C ATOM 397 CG1 VAL A 505 -2.780 -5.547 13.748 1.00 11.55 C ATOM 398 CG2 VAL A 505 -4.118 -7.663 13.677 1.00 52.11 C ATOM 0 H VAL A 505 -2.171 -9.155 15.325 1.00 1.30 H new ATOM 0 HA VAL A 505 -1.613 -7.946 12.776 1.00 74.40 H new ATOM 0 HB VAL A 505 -2.958 -6.969 15.324 1.00 53.24 H new ATOM 0 HG11 VAL A 505 -3.683 -5.005 14.029 1.00 11.55 H new ATOM 0 HG12 VAL A 505 -1.913 -5.066 14.201 1.00 11.55 H new ATOM 0 HG13 VAL A 505 -2.674 -5.538 12.663 1.00 11.55 H new ATOM 0 HG21 VAL A 505 -5.003 -7.093 13.959 1.00 52.11 H new ATOM 0 HG22 VAL A 505 -4.048 -7.711 12.590 1.00 52.11 H new ATOM 0 HG23 VAL A 505 -4.194 -8.673 14.080 1.00 52.11 H new ATOM 408 N GLY A 506 -0.196 -6.735 15.525 1.00 10.35 N ATOM 409 CA GLY A 506 0.943 -5.967 15.993 1.00 1.21 C ATOM 410 C GLY A 506 2.266 -6.584 15.584 1.00 33.11 C ATOM 411 O GLY A 506 3.292 -5.906 15.555 1.00 42.11 O ATOM 0 H GLY A 506 -0.814 -7.077 16.261 1.00 10.35 H new ATOM 0 HA2 GLY A 506 0.881 -4.953 15.598 1.00 1.21 H new ATOM 0 HA3 GLY A 506 0.903 -5.888 17.079 1.00 1.21 H new ATOM 415 N ALA A 507 2.242 -7.875 15.269 1.00 42.00 N ATOM 416 CA ALA A 507 3.448 -8.584 14.860 1.00 44.54 C ATOM 417 C ALA A 507 3.837 -8.224 13.430 1.00 65.44 C ATOM 418 O ALA A 507 4.933 -7.719 13.183 1.00 60.32 O ATOM 419 CB ALA A 507 3.249 -10.086 14.993 1.00 51.01 C ATOM 0 H ALA A 507 1.400 -8.451 15.289 1.00 42.00 H new ATOM 0 HA ALA A 507 4.261 -8.278 15.518 1.00 44.54 H new ATOM 0 HB1 ALA A 507 4.158 -10.602 14.684 1.00 51.01 H new ATOM 0 HB2 ALA A 507 3.026 -10.333 16.031 1.00 51.01 H new ATOM 0 HB3 ALA A 507 2.420 -10.401 14.359 1.00 51.01 H new ATOM 425 N ILE A 508 2.934 -8.489 12.492 1.00 43.34 N ATOM 426 CA ILE A 508 3.184 -8.193 11.086 1.00 11.34 C ATOM 427 C ILE A 508 3.206 -6.688 10.837 1.00 72.40 C ATOM 428 O ILE A 508 3.906 -6.207 9.947 1.00 52.31 O ATOM 429 CB ILE A 508 2.120 -8.837 10.178 1.00 43.13 C ATOM 430 CG1 ILE A 508 0.731 -8.293 10.517 1.00 30.44 C ATOM 431 CG2 ILE A 508 2.151 -10.352 10.318 1.00 43.53 C ATOM 432 CD1 ILE A 508 0.293 -7.154 9.624 1.00 1.34 C ATOM 0 H ILE A 508 2.023 -8.908 12.680 1.00 43.34 H new ATOM 0 HA ILE A 508 4.160 -8.613 10.843 1.00 11.34 H new ATOM 0 HB ILE A 508 2.345 -8.583 9.142 1.00 43.13 H new ATOM 0 HG12 ILE A 508 0.005 -9.102 10.442 1.00 30.44 H new ATOM 0 HG13 ILE A 508 0.725 -7.954 11.553 1.00 30.44 H new ATOM 0 HG21 ILE A 508 1.393 -10.793 9.670 1.00 43.53 H new ATOM 0 HG22 ILE A 508 3.135 -10.724 10.031 1.00 43.53 H new ATOM 0 HG23 ILE A 508 1.947 -10.626 11.353 1.00 43.53 H new ATOM 0 HD11 ILE A 508 -0.700 -6.819 9.922 1.00 1.34 H new ATOM 0 HD12 ILE A 508 0.998 -6.328 9.716 1.00 1.34 H new ATOM 0 HD13 ILE A 508 0.266 -7.493 8.589 1.00 1.34 H new ATOM 444 N ALA A 509 2.436 -5.951 11.631 1.00 75.45 N ATOM 445 CA ALA A 509 2.369 -4.501 11.499 1.00 63.33 C ATOM 446 C ALA A 509 3.667 -3.848 11.961 1.00 64.12 C ATOM 447 O ALA A 509 4.013 -2.753 11.521 1.00 52.53 O ATOM 448 CB ALA A 509 1.190 -3.953 12.288 1.00 10.22 C ATOM 0 H ALA A 509 1.850 -6.335 12.372 1.00 75.45 H new ATOM 0 HA ALA A 509 2.228 -4.263 10.445 1.00 63.33 H new ATOM 0 HB1 ALA A 509 1.152 -2.869 12.180 1.00 10.22 H new ATOM 0 HB2 ALA A 509 0.265 -4.388 11.909 1.00 10.22 H new ATOM 0 HB3 ALA A 509 1.306 -4.209 13.341 1.00 10.22 H new ATOM 454 N ASN A 510 4.382 -4.528 12.851 1.00 22.15 N ATOM 455 CA ASN A 510 5.642 -4.013 13.374 1.00 2.44 C ATOM 456 C ASN A 510 6.827 -4.592 12.608 1.00 61.13 C ATOM 457 O ASN A 510 7.892 -3.979 12.536 1.00 33.32 O ATOM 458 CB ASN A 510 5.773 -4.342 14.863 1.00 44.31 C ATOM 459 CG ASN A 510 6.804 -3.473 15.558 1.00 21.43 C ATOM 460 OD1 ASN A 510 6.965 -2.298 15.230 1.00 13.22 O ATOM 461 ND2 ASN A 510 7.509 -4.051 16.525 1.00 52.35 N ATOM 0 H ASN A 510 4.110 -5.437 13.225 1.00 22.15 H new ATOM 0 HA ASN A 510 5.644 -2.931 13.246 1.00 2.44 H new ATOM 0 HB2 ASN A 510 4.805 -4.212 15.348 1.00 44.31 H new ATOM 0 HB3 ASN A 510 6.048 -5.390 14.978 1.00 44.31 H new ATOM 0 HD21 ASN A 510 8.217 -3.517 17.029 1.00 52.35 H new ATOM 0 HD22 ASN A 510 7.342 -5.028 16.764 1.00 52.35 H new ATOM 468 N GLU A 511 6.633 -5.776 12.036 1.00 71.42 N ATOM 469 CA GLU A 511 7.686 -6.438 11.275 1.00 70.24 C ATOM 470 C GLU A 511 8.039 -5.638 10.024 1.00 13.52 C ATOM 471 O GLU A 511 9.192 -5.608 9.598 1.00 43.22 O ATOM 472 CB GLU A 511 7.251 -7.852 10.882 1.00 10.24 C ATOM 473 CG GLU A 511 7.509 -8.889 11.962 1.00 31.40 C ATOM 474 CD GLU A 511 8.987 -9.125 12.203 1.00 22.24 C ATOM 475 OE1 GLU A 511 9.566 -10.000 11.526 1.00 42.04 O ATOM 476 OE2 GLU A 511 9.565 -8.436 13.069 1.00 11.25 O ATOM 0 H GLU A 511 5.757 -6.296 12.085 1.00 71.42 H new ATOM 0 HA GLU A 511 8.571 -6.500 11.908 1.00 70.24 H new ATOM 0 HB2 GLU A 511 6.187 -7.843 10.645 1.00 10.24 H new ATOM 0 HB3 GLU A 511 7.778 -8.146 9.974 1.00 10.24 H new ATOM 0 HG2 GLU A 511 7.040 -8.565 12.891 1.00 31.40 H new ATOM 0 HG3 GLU A 511 7.036 -9.829 11.678 1.00 31.40 H new ATOM 483 N GLY A 512 7.035 -4.989 9.441 1.00 71.53 N ATOM 484 CA GLY A 512 7.258 -4.198 8.245 1.00 64.00 C ATOM 485 C GLY A 512 6.615 -2.828 8.328 1.00 5.21 C ATOM 486 O GLY A 512 6.636 -2.188 9.380 1.00 41.24 O ATOM 0 H GLY A 512 6.072 -4.997 9.776 1.00 71.53 H new ATOM 0 HA2 GLY A 512 8.330 -4.084 8.083 1.00 64.00 H new ATOM 0 HA3 GLY A 512 6.860 -4.731 7.381 1.00 64.00 H new ATOM 490 N ASP A 513 6.045 -2.376 7.217 1.00 15.21 N ATOM 491 CA ASP A 513 5.393 -1.072 7.168 1.00 1.12 C ATOM 492 C ASP A 513 3.889 -1.208 7.384 1.00 50.55 C ATOM 493 O ASP A 513 3.195 -0.219 7.626 1.00 24.42 O ATOM 494 CB ASP A 513 5.669 -0.390 5.827 1.00 5.04 C ATOM 495 CG ASP A 513 5.653 1.122 5.933 1.00 55.34 C ATOM 496 OD1 ASP A 513 5.828 1.792 4.893 1.00 65.20 O ATOM 497 OD2 ASP A 513 5.462 1.636 7.054 1.00 4.45 O ATOM 0 H ASP A 513 6.021 -2.893 6.338 1.00 15.21 H new ATOM 0 HA ASP A 513 5.803 -0.458 7.970 1.00 1.12 H new ATOM 0 HB2 ASP A 513 6.639 -0.715 5.450 1.00 5.04 H new ATOM 0 HB3 ASP A 513 4.922 -0.708 5.100 1.00 5.04 H new ATOM 502 N ILE A 514 3.392 -2.436 7.292 1.00 32.31 N ATOM 503 CA ILE A 514 1.970 -2.700 7.477 1.00 63.31 C ATOM 504 C ILE A 514 1.460 -2.080 8.773 1.00 20.43 C ATOM 505 O ILE A 514 2.164 -2.061 9.783 1.00 12.40 O ATOM 506 CB ILE A 514 1.676 -4.212 7.493 1.00 10.03 C ATOM 507 CG1 ILE A 514 2.121 -4.855 6.178 1.00 41.40 C ATOM 508 CG2 ILE A 514 0.195 -4.461 7.736 1.00 52.41 C ATOM 509 CD1 ILE A 514 2.553 -6.297 6.326 1.00 43.41 C ATOM 0 H ILE A 514 3.952 -3.264 7.091 1.00 32.31 H new ATOM 0 HA ILE A 514 1.452 -2.246 6.632 1.00 63.31 H new ATOM 0 HB ILE A 514 2.240 -4.668 8.307 1.00 10.03 H new ATOM 0 HG12 ILE A 514 1.302 -4.801 5.461 1.00 41.40 H new ATOM 0 HG13 ILE A 514 2.947 -4.278 5.762 1.00 41.40 H new ATOM 0 HG21 ILE A 514 0.003 -5.534 7.745 1.00 52.41 H new ATOM 0 HG22 ILE A 514 -0.093 -4.033 8.696 1.00 52.41 H new ATOM 0 HG23 ILE A 514 -0.388 -3.995 6.942 1.00 52.41 H new ATOM 0 HD11 ILE A 514 2.855 -6.688 5.354 1.00 43.41 H new ATOM 0 HD12 ILE A 514 3.393 -6.356 7.018 1.00 43.41 H new ATOM 0 HD13 ILE A 514 1.723 -6.888 6.713 1.00 43.41 H new ATOM 521 N SER A 515 0.231 -1.576 8.738 1.00 34.51 N ATOM 522 CA SER A 515 -0.374 -0.954 9.910 1.00 52.22 C ATOM 523 C SER A 515 -1.595 -1.742 10.375 1.00 51.04 C ATOM 524 O SER A 515 -2.143 -2.555 9.630 1.00 10.03 O ATOM 525 CB SER A 515 -0.773 0.490 9.598 1.00 75.34 C ATOM 526 OG SER A 515 -0.682 1.305 10.753 1.00 52.32 O ATOM 0 H SER A 515 -0.366 -1.586 7.911 1.00 34.51 H new ATOM 0 HA SER A 515 0.364 -0.955 10.712 1.00 52.22 H new ATOM 0 HB2 SER A 515 -0.126 0.888 8.816 1.00 75.34 H new ATOM 0 HB3 SER A 515 -1.792 0.514 9.212 1.00 75.34 H new ATOM 0 HG SER A 515 -0.940 2.223 10.527 1.00 52.32 H new ATOM 532 N SER A 516 -2.016 -1.495 11.611 1.00 4.20 N ATOM 533 CA SER A 516 -3.169 -2.183 12.178 1.00 31.31 C ATOM 534 C SER A 516 -4.428 -1.894 11.366 1.00 1.42 C ATOM 535 O SER A 516 -5.370 -2.685 11.358 1.00 35.50 O ATOM 536 CB SER A 516 -3.378 -1.759 13.633 1.00 33.41 C ATOM 537 OG SER A 516 -4.578 -2.304 14.155 1.00 1.45 O ATOM 0 H SER A 516 -1.575 -0.823 12.239 1.00 4.20 H new ATOM 0 HA SER A 516 -2.974 -3.255 12.144 1.00 31.31 H new ATOM 0 HB2 SER A 516 -2.532 -2.089 14.236 1.00 33.41 H new ATOM 0 HB3 SER A 516 -3.411 -0.671 13.697 1.00 33.41 H new ATOM 0 HG SER A 516 -4.688 -2.020 15.086 1.00 1.45 H new ATOM 543 N ARG A 517 -4.435 -0.753 10.684 1.00 10.24 N ATOM 544 CA ARG A 517 -5.578 -0.357 9.870 1.00 45.41 C ATOM 545 C ARG A 517 -5.398 -0.811 8.424 1.00 11.32 C ATOM 546 O ARG A 517 -6.368 -1.145 7.743 1.00 23.10 O ATOM 547 CB ARG A 517 -5.765 1.161 9.920 1.00 63.23 C ATOM 548 CG ARG A 517 -4.606 1.937 9.315 1.00 13.52 C ATOM 549 CD ARG A 517 -4.725 3.426 9.601 1.00 43.43 C ATOM 550 NE ARG A 517 -4.702 4.222 8.376 1.00 31.02 N ATOM 551 CZ ARG A 517 -5.762 4.400 7.596 1.00 72.24 C ATOM 552 NH1 ARG A 517 -6.923 3.842 7.911 1.00 62.41 N ATOM 553 NH2 ARG A 517 -5.663 5.138 6.497 1.00 23.34 N ATOM 0 H ARG A 517 -3.662 -0.087 10.679 1.00 10.24 H new ATOM 0 HA ARG A 517 -6.467 -0.839 10.276 1.00 45.41 H new ATOM 0 HB2 ARG A 517 -6.682 1.423 9.392 1.00 63.23 H new ATOM 0 HB3 ARG A 517 -5.895 1.469 10.958 1.00 63.23 H new ATOM 0 HG2 ARG A 517 -3.665 1.562 9.718 1.00 13.52 H new ATOM 0 HG3 ARG A 517 -4.579 1.773 8.238 1.00 13.52 H new ATOM 0 HD2 ARG A 517 -5.652 3.618 10.141 1.00 43.43 H new ATOM 0 HD3 ARG A 517 -3.907 3.737 10.251 1.00 43.43 H new ATOM 0 HE ARG A 517 -3.824 4.665 8.105 1.00 31.02 H new ATOM 0 HH11 ARG A 517 -7.004 3.274 8.754 1.00 62.41 H new ATOM 0 HH12 ARG A 517 -7.735 3.981 7.310 1.00 62.41 H new ATOM 0 HH21 ARG A 517 -4.772 5.569 6.251 1.00 23.34 H new ATOM 0 HH22 ARG A 517 -6.478 5.274 5.899 1.00 23.34 H new ATOM 567 N TYR A 518 -4.153 -0.819 7.963 1.00 63.14 N ATOM 568 CA TYR A 518 -3.846 -1.229 6.597 1.00 13.03 C ATOM 569 C TYR A 518 -4.271 -2.674 6.354 1.00 61.00 C ATOM 570 O TYR A 518 -4.725 -3.024 5.264 1.00 11.12 O ATOM 571 CB TYR A 518 -2.351 -1.071 6.319 1.00 64.44 C ATOM 572 CG TYR A 518 -2.048 -0.351 5.024 1.00 74.20 C ATOM 573 CD1 TYR A 518 -2.492 -0.854 3.807 1.00 61.02 C ATOM 574 CD2 TYR A 518 -1.319 0.831 5.017 1.00 1.15 C ATOM 575 CE1 TYR A 518 -2.218 -0.200 2.621 1.00 3.02 C ATOM 576 CE2 TYR A 518 -1.041 1.493 3.837 1.00 74.30 C ATOM 577 CZ TYR A 518 -1.493 0.973 2.642 1.00 44.24 C ATOM 578 OH TYR A 518 -1.217 1.628 1.463 1.00 1.54 O ATOM 0 H TYR A 518 -3.339 -0.546 8.514 1.00 63.14 H new ATOM 0 HA TYR A 518 -4.405 -0.586 5.917 1.00 13.03 H new ATOM 0 HB2 TYR A 518 -1.892 -0.526 7.144 1.00 64.44 H new ATOM 0 HB3 TYR A 518 -1.889 -2.058 6.293 1.00 64.44 H new ATOM 0 HD1 TYR A 518 -3.061 -1.772 3.788 1.00 61.02 H new ATOM 0 HD2 TYR A 518 -0.963 1.240 5.951 1.00 1.15 H new ATOM 0 HE1 TYR A 518 -2.569 -0.605 1.683 1.00 3.02 H new ATOM 0 HE2 TYR A 518 -0.473 2.412 3.850 1.00 74.30 H new ATOM 0 HH TYR A 518 -0.699 2.438 1.652 1.00 1.54 H new ATOM 588 N ILE A 519 -4.120 -3.508 7.377 1.00 32.21 N ATOM 589 CA ILE A 519 -4.489 -4.915 7.276 1.00 13.32 C ATOM 590 C ILE A 519 -5.948 -5.072 6.860 1.00 42.21 C ATOM 591 O ILE A 519 -6.804 -4.280 7.250 1.00 15.22 O ATOM 592 CB ILE A 519 -4.265 -5.653 8.609 1.00 12.43 C ATOM 593 CG1 ILE A 519 -2.799 -5.549 9.034 1.00 30.43 C ATOM 594 CG2 ILE A 519 -4.685 -7.110 8.485 1.00 11.42 C ATOM 595 CD1 ILE A 519 -2.616 -5.283 10.512 1.00 44.41 C ATOM 0 H ILE A 519 -3.745 -3.234 8.285 1.00 32.21 H new ATOM 0 HA ILE A 519 -3.847 -5.356 6.514 1.00 13.32 H new ATOM 0 HB ILE A 519 -4.880 -5.183 9.376 1.00 12.43 H new ATOM 0 HG12 ILE A 519 -2.287 -6.475 8.774 1.00 30.43 H new ATOM 0 HG13 ILE A 519 -2.321 -4.750 8.467 1.00 30.43 H new ATOM 0 HG21 ILE A 519 -4.521 -7.618 9.435 1.00 11.42 H new ATOM 0 HG22 ILE A 519 -5.742 -7.163 8.223 1.00 11.42 H new ATOM 0 HG23 ILE A 519 -4.094 -7.594 7.708 1.00 11.42 H new ATOM 0 HD11 ILE A 519 -1.552 -5.222 10.742 1.00 44.41 H new ATOM 0 HD12 ILE A 519 -3.099 -4.342 10.775 1.00 44.41 H new ATOM 0 HD13 ILE A 519 -3.065 -6.094 11.086 1.00 44.41 H new ATOM 607 N GLY A 520 -6.223 -6.102 6.065 1.00 14.24 N ATOM 608 CA GLY A 520 -7.580 -6.346 5.611 1.00 43.35 C ATOM 609 C GLY A 520 -8.469 -6.896 6.708 1.00 51.22 C ATOM 610 O GLY A 520 -8.659 -6.256 7.741 1.00 12.30 O ATOM 0 H GLY A 520 -5.531 -6.771 5.728 1.00 14.24 H new ATOM 0 HA2 GLY A 520 -8.006 -5.416 5.234 1.00 43.35 H new ATOM 0 HA3 GLY A 520 -7.560 -7.048 4.778 1.00 43.35 H new ATOM 614 N ASN A 521 -9.017 -8.086 6.483 1.00 41.44 N ATOM 615 CA ASN A 521 -9.893 -8.721 7.460 1.00 55.21 C ATOM 616 C ASN A 521 -9.106 -9.662 8.366 1.00 60.40 C ATOM 617 O ASN A 521 -8.408 -10.558 7.890 1.00 4.01 O ATOM 618 CB ASN A 521 -11.009 -9.492 6.751 1.00 42.43 C ATOM 619 CG ASN A 521 -11.967 -8.575 6.015 1.00 72.33 C ATOM 620 OD1 ASN A 521 -11.574 -7.523 5.511 1.00 70.23 O ATOM 621 ND2 ASN A 521 -13.233 -8.972 5.950 1.00 22.20 N ATOM 0 H ASN A 521 -8.870 -8.630 5.633 1.00 41.44 H new ATOM 0 HA ASN A 521 -10.336 -7.938 8.076 1.00 55.21 H new ATOM 0 HB2 ASN A 521 -10.569 -10.196 6.045 1.00 42.43 H new ATOM 0 HB3 ASN A 521 -11.563 -10.080 7.483 1.00 42.43 H new ATOM 0 HD21 ASN A 521 -13.924 -8.397 5.468 1.00 22.20 H new ATOM 0 HD22 ASN A 521 -13.514 -9.852 6.382 1.00 22.20 H new ATOM 628 N ILE A 522 -9.224 -9.453 9.673 1.00 73.52 N ATOM 629 CA ILE A 522 -8.525 -10.284 10.645 1.00 32.41 C ATOM 630 C ILE A 522 -9.508 -10.983 11.579 1.00 41.30 C ATOM 631 O ILE A 522 -10.398 -10.350 12.148 1.00 62.11 O ATOM 632 CB ILE A 522 -7.536 -9.456 11.486 1.00 42.13 C ATOM 633 CG1 ILE A 522 -6.677 -8.572 10.578 1.00 32.35 C ATOM 634 CG2 ILE A 522 -6.659 -10.372 12.326 1.00 3.33 C ATOM 635 CD1 ILE A 522 -6.961 -7.094 10.731 1.00 64.32 C ATOM 0 H ILE A 522 -9.797 -8.715 10.083 1.00 73.52 H new ATOM 0 HA ILE A 522 -7.970 -11.032 10.079 1.00 32.41 H new ATOM 0 HB ILE A 522 -8.103 -8.812 12.158 1.00 42.13 H new ATOM 0 HG12 ILE A 522 -5.625 -8.756 10.795 1.00 32.35 H new ATOM 0 HG13 ILE A 522 -6.844 -8.860 9.540 1.00 32.35 H new ATOM 0 HG21 ILE A 522 -5.965 -9.772 12.915 1.00 3.33 H new ATOM 0 HG22 ILE A 522 -7.285 -10.963 12.994 1.00 3.33 H new ATOM 0 HG23 ILE A 522 -6.097 -11.038 11.672 1.00 3.33 H new ATOM 0 HD11 ILE A 522 -6.317 -6.528 10.058 1.00 64.32 H new ATOM 0 HD12 ILE A 522 -8.005 -6.897 10.486 1.00 64.32 H new ATOM 0 HD13 ILE A 522 -6.767 -6.791 11.760 1.00 64.32 H new ATOM 647 N LYS A 523 -9.340 -12.292 11.734 1.00 2.41 N ATOM 648 CA LYS A 523 -10.209 -13.078 12.602 1.00 52.44 C ATOM 649 C LYS A 523 -9.419 -13.688 13.755 1.00 70.45 C ATOM 650 O LYS A 523 -8.207 -13.886 13.654 1.00 34.51 O ATOM 651 CB LYS A 523 -10.899 -14.183 11.800 1.00 71.52 C ATOM 652 CG LYS A 523 -11.974 -14.920 12.580 1.00 72.01 C ATOM 653 CD LYS A 523 -12.742 -15.888 11.695 1.00 44.44 C ATOM 654 CE LYS A 523 -13.391 -16.995 12.511 1.00 44.13 C ATOM 655 NZ LYS A 523 -13.091 -18.343 11.953 1.00 14.03 N ATOM 0 H LYS A 523 -8.609 -12.831 11.269 1.00 2.41 H new ATOM 0 HA LYS A 523 -10.966 -12.412 13.017 1.00 52.44 H new ATOM 0 HB2 LYS A 523 -11.345 -13.747 10.906 1.00 71.52 H new ATOM 0 HB3 LYS A 523 -10.149 -14.900 11.465 1.00 71.52 H new ATOM 0 HG2 LYS A 523 -11.516 -15.465 13.405 1.00 72.01 H new ATOM 0 HG3 LYS A 523 -12.665 -14.200 13.018 1.00 72.01 H new ATOM 0 HD2 LYS A 523 -13.508 -15.346 11.141 1.00 44.44 H new ATOM 0 HD3 LYS A 523 -12.066 -16.325 10.960 1.00 44.44 H new ATOM 0 HE2 LYS A 523 -13.039 -16.941 13.541 1.00 44.13 H new ATOM 0 HE3 LYS A 523 -14.470 -16.844 12.535 1.00 44.13 H new ATOM 0 HZ1 LYS A 523 -13.551 -19.071 12.537 1.00 14.03 H new ATOM 0 HZ2 LYS A 523 -13.450 -18.403 10.979 1.00 14.03 H new ATOM 0 HZ3 LYS A 523 -12.063 -18.498 11.953 1.00 14.03 H new ATOM 669 N LEU A 524 -10.112 -13.986 14.848 1.00 21.31 N ATOM 670 CA LEU A 524 -9.475 -14.577 16.020 1.00 1.32 C ATOM 671 C LEU A 524 -10.408 -15.572 16.704 1.00 45.44 C ATOM 672 O LEU A 524 -11.210 -15.199 17.560 1.00 51.12 O ATOM 673 CB LEU A 524 -9.065 -13.483 17.008 1.00 54.22 C ATOM 674 CG LEU A 524 -8.084 -13.901 18.104 1.00 51.35 C ATOM 675 CD1 LEU A 524 -8.779 -14.771 19.139 1.00 72.00 C ATOM 676 CD2 LEU A 524 -6.893 -14.632 17.502 1.00 31.50 C ATOM 0 H LEU A 524 -11.115 -13.828 14.948 1.00 21.31 H new ATOM 0 HA LEU A 524 -8.585 -15.111 15.688 1.00 1.32 H new ATOM 0 HB2 LEU A 524 -8.622 -12.661 16.446 1.00 54.22 H new ATOM 0 HB3 LEU A 524 -9.966 -13.095 17.483 1.00 54.22 H new ATOM 0 HG LEU A 524 -7.720 -13.002 18.602 1.00 51.35 H new ATOM 0 HD11 LEU A 524 -8.065 -15.059 19.911 1.00 72.00 H new ATOM 0 HD12 LEU A 524 -9.598 -14.213 19.592 1.00 72.00 H new ATOM 0 HD13 LEU A 524 -9.172 -15.666 18.657 1.00 72.00 H new ATOM 0 HD21 LEU A 524 -6.205 -14.922 18.296 1.00 31.50 H new ATOM 0 HD22 LEU A 524 -7.240 -15.523 16.979 1.00 31.50 H new ATOM 0 HD23 LEU A 524 -6.380 -13.975 16.800 1.00 31.50 H new ATOM 688 N PHE A 525 -10.295 -16.839 16.321 1.00 22.33 N ATOM 689 CA PHE A 525 -11.127 -17.889 16.898 1.00 11.30 C ATOM 690 C PHE A 525 -10.427 -18.548 18.083 1.00 72.33 C ATOM 691 O PHE A 525 -9.426 -18.041 18.587 1.00 64.25 O ATOM 692 CB PHE A 525 -11.464 -18.941 15.840 1.00 71.13 C ATOM 693 CG PHE A 525 -12.915 -19.328 15.820 1.00 53.11 C ATOM 694 CD1 PHE A 525 -13.295 -20.653 15.963 1.00 42.33 C ATOM 695 CD2 PHE A 525 -13.900 -18.367 15.658 1.00 40.50 C ATOM 696 CE1 PHE A 525 -14.629 -21.012 15.945 1.00 34.13 C ATOM 697 CE2 PHE A 525 -15.236 -18.720 15.640 1.00 0.22 C ATOM 698 CZ PHE A 525 -15.601 -20.044 15.783 1.00 71.32 C ATOM 0 H PHE A 525 -9.636 -17.164 15.614 1.00 22.33 H new ATOM 0 HA PHE A 525 -12.051 -17.432 17.253 1.00 11.30 H new ATOM 0 HB2 PHE A 525 -11.184 -18.559 14.858 1.00 71.13 H new ATOM 0 HB3 PHE A 525 -10.861 -19.831 16.020 1.00 71.13 H new ATOM 0 HD1 PHE A 525 -12.539 -21.414 16.090 1.00 42.33 H new ATOM 0 HD2 PHE A 525 -13.620 -17.330 15.544 1.00 40.50 H new ATOM 0 HE1 PHE A 525 -14.912 -22.048 16.057 1.00 34.13 H new ATOM 0 HE2 PHE A 525 -15.994 -17.961 15.514 1.00 0.22 H new ATOM 0 HZ PHE A 525 -16.644 -20.322 15.768 1.00 71.32 H new ATOM 708 N ALA A 526 -10.963 -19.682 18.522 1.00 32.33 N ATOM 709 CA ALA A 526 -10.390 -20.413 19.646 1.00 13.31 C ATOM 710 C ALA A 526 -9.041 -21.020 19.276 1.00 54.21 C ATOM 711 O ALA A 526 -8.093 -20.974 20.060 1.00 53.04 O ATOM 712 CB ALA A 526 -11.349 -21.497 20.114 1.00 20.52 C ATOM 0 H ALA A 526 -11.793 -20.115 18.117 1.00 32.33 H new ATOM 0 HA ALA A 526 -10.230 -19.708 20.462 1.00 13.31 H new ATOM 0 HB1 ALA A 526 -10.908 -22.035 20.954 1.00 20.52 H new ATOM 0 HB2 ALA A 526 -12.288 -21.041 20.428 1.00 20.52 H new ATOM 0 HB3 ALA A 526 -11.539 -22.193 19.297 1.00 20.52 H new ATOM 718 N SER A 527 -8.963 -21.589 18.077 1.00 3.03 N ATOM 719 CA SER A 527 -7.730 -22.210 17.605 1.00 15.43 C ATOM 720 C SER A 527 -7.478 -21.870 16.139 1.00 34.43 C ATOM 721 O SER A 527 -6.938 -22.681 15.386 1.00 21.34 O ATOM 722 CB SER A 527 -7.798 -23.727 17.785 1.00 63.50 C ATOM 723 OG SER A 527 -6.574 -24.339 17.415 1.00 74.51 O ATOM 0 H SER A 527 -9.738 -21.633 17.415 1.00 3.03 H new ATOM 0 HA SER A 527 -6.904 -21.818 18.198 1.00 15.43 H new ATOM 0 HB2 SER A 527 -8.027 -23.963 18.824 1.00 63.50 H new ATOM 0 HB3 SER A 527 -8.609 -24.132 17.180 1.00 63.50 H new ATOM 0 HG SER A 527 -6.260 -23.957 16.569 1.00 74.51 H new ATOM 729 N HIS A 528 -7.874 -20.666 15.741 1.00 51.43 N ATOM 730 CA HIS A 528 -7.691 -20.217 14.365 1.00 71.22 C ATOM 731 C HIS A 528 -7.686 -18.694 14.286 1.00 2.52 C ATOM 732 O HIS A 528 -8.149 -18.013 15.202 1.00 61.43 O ATOM 733 CB HIS A 528 -8.796 -20.782 13.471 1.00 45.11 C ATOM 734 CG HIS A 528 -8.544 -22.189 13.025 1.00 61.24 C ATOM 735 ND1 HIS A 528 -9.066 -23.289 13.672 1.00 10.12 N ATOM 736 CD2 HIS A 528 -7.822 -22.673 11.987 1.00 22.20 C ATOM 737 CE1 HIS A 528 -8.675 -24.388 13.053 1.00 24.54 C ATOM 738 NE2 HIS A 528 -7.919 -24.042 12.027 1.00 62.40 N ATOM 0 H HIS A 528 -8.324 -19.983 16.351 1.00 51.43 H new ATOM 0 HA HIS A 528 -6.726 -20.584 14.015 1.00 71.22 H new ATOM 0 HB2 HIS A 528 -9.743 -20.744 14.010 1.00 45.11 H new ATOM 0 HB3 HIS A 528 -8.903 -20.145 12.593 1.00 45.11 H new ATOM 0 HD2 HIS A 528 -7.272 -22.091 11.262 1.00 22.20 H new ATOM 0 HE1 HIS A 528 -8.930 -25.398 13.337 1.00 24.54 H new ATOM 0 HE2 HIS A 528 -7.479 -24.687 11.371 1.00 62.40 H new ATOM 746 N SER A 529 -7.158 -18.164 13.187 1.00 73.31 N ATOM 747 CA SER A 529 -7.089 -16.721 12.991 1.00 45.01 C ATOM 748 C SER A 529 -6.736 -16.386 11.545 1.00 41.50 C ATOM 749 O SER A 529 -5.807 -16.955 10.971 1.00 4.23 O ATOM 750 CB SER A 529 -6.054 -16.106 13.936 1.00 74.11 C ATOM 751 OG SER A 529 -5.066 -17.055 14.297 1.00 21.02 O ATOM 0 H SER A 529 -6.772 -18.713 12.419 1.00 73.31 H new ATOM 0 HA SER A 529 -8.070 -16.301 13.214 1.00 45.01 H new ATOM 0 HB2 SER A 529 -5.582 -15.249 13.455 1.00 74.11 H new ATOM 0 HB3 SER A 529 -6.551 -15.735 14.832 1.00 74.11 H new ATOM 0 HG SER A 529 -5.325 -17.495 15.134 1.00 21.02 H new ATOM 757 N THR A 530 -7.485 -15.456 10.960 1.00 72.11 N ATOM 758 CA THR A 530 -7.254 -15.044 9.581 1.00 31.41 C ATOM 759 C THR A 530 -6.666 -13.639 9.518 1.00 33.31 C ATOM 760 O THR A 530 -6.686 -12.903 10.505 1.00 32.41 O ATOM 761 CB THR A 530 -8.556 -15.082 8.758 1.00 4.41 C ATOM 762 OG1 THR A 530 -9.407 -13.994 9.138 1.00 64.33 O ATOM 763 CG2 THR A 530 -9.287 -16.400 8.962 1.00 52.33 C ATOM 0 H THR A 530 -8.257 -14.974 11.420 1.00 72.11 H new ATOM 0 HA THR A 530 -6.543 -15.751 9.154 1.00 31.41 H new ATOM 0 HB THR A 530 -8.297 -14.989 7.703 1.00 4.41 H new ATOM 0 HG1 THR A 530 -10.232 -14.024 8.609 1.00 64.33 H new ATOM 0 HG21 THR A 530 -10.203 -16.403 8.371 1.00 52.33 H new ATOM 0 HG22 THR A 530 -8.647 -17.224 8.645 1.00 52.33 H new ATOM 0 HG23 THR A 530 -9.535 -16.519 10.017 1.00 52.33 H new ATOM 771 N ILE A 531 -6.145 -13.273 8.352 1.00 24.12 N ATOM 772 CA ILE A 531 -5.553 -11.955 8.161 1.00 1.21 C ATOM 773 C ILE A 531 -5.180 -11.726 6.700 1.00 23.33 C ATOM 774 O ILE A 531 -4.658 -12.621 6.036 1.00 4.12 O ATOM 775 CB ILE A 531 -4.298 -11.769 9.035 1.00 54.30 C ATOM 776 CG1 ILE A 531 -3.648 -10.414 8.749 1.00 5.21 C ATOM 777 CG2 ILE A 531 -3.310 -12.899 8.791 1.00 72.34 C ATOM 778 CD1 ILE A 531 -2.837 -9.876 9.908 1.00 71.33 C ATOM 0 H ILE A 531 -6.121 -13.870 7.526 1.00 24.12 H new ATOM 0 HA ILE A 531 -6.305 -11.225 8.460 1.00 1.21 H new ATOM 0 HB ILE A 531 -4.596 -11.794 10.083 1.00 54.30 H new ATOM 0 HG12 ILE A 531 -3.002 -10.507 7.876 1.00 5.21 H new ATOM 0 HG13 ILE A 531 -4.425 -9.694 8.495 1.00 5.21 H new ATOM 0 HG21 ILE A 531 -2.429 -12.753 9.416 1.00 72.34 H new ATOM 0 HG22 ILE A 531 -3.778 -13.851 9.040 1.00 72.34 H new ATOM 0 HG23 ILE A 531 -3.014 -12.903 7.742 1.00 72.34 H new ATOM 0 HD11 ILE A 531 -2.406 -8.913 9.634 1.00 71.33 H new ATOM 0 HD12 ILE A 531 -3.483 -9.750 10.777 1.00 71.33 H new ATOM 0 HD13 ILE A 531 -2.037 -10.576 10.149 1.00 71.33 H new ATOM 790 N GLU A 532 -5.450 -10.522 6.208 1.00 42.54 N ATOM 791 CA GLU A 532 -5.141 -10.176 4.825 1.00 0.51 C ATOM 792 C GLU A 532 -4.128 -9.036 4.763 1.00 51.12 C ATOM 793 O GLU A 532 -4.318 -7.987 5.379 1.00 12.42 O ATOM 794 CB GLU A 532 -6.416 -9.780 4.078 1.00 74.42 C ATOM 795 CG GLU A 532 -6.192 -9.484 2.605 1.00 64.14 C ATOM 796 CD GLU A 532 -5.648 -8.089 2.366 1.00 11.34 C ATOM 797 OE1 GLU A 532 -6.215 -7.127 2.926 1.00 71.13 O ATOM 798 OE2 GLU A 532 -4.655 -7.959 1.620 1.00 1.04 O ATOM 0 H GLU A 532 -5.882 -9.770 6.745 1.00 42.54 H new ATOM 0 HA GLU A 532 -4.706 -11.053 4.347 1.00 0.51 H new ATOM 0 HB2 GLU A 532 -7.146 -10.584 4.171 1.00 74.42 H new ATOM 0 HB3 GLU A 532 -6.848 -8.900 4.555 1.00 74.42 H new ATOM 0 HG2 GLU A 532 -5.498 -10.216 2.193 1.00 64.14 H new ATOM 0 HG3 GLU A 532 -7.133 -9.600 2.068 1.00 64.14 H new ATOM 805 N LEU A 533 -3.051 -9.250 4.015 1.00 53.12 N ATOM 806 CA LEU A 533 -2.007 -8.242 3.871 1.00 2.43 C ATOM 807 C LEU A 533 -1.942 -7.725 2.437 1.00 23.35 C ATOM 808 O LEU A 533 -2.002 -8.489 1.473 1.00 15.44 O ATOM 809 CB LEU A 533 -0.651 -8.822 4.279 1.00 52.34 C ATOM 810 CG LEU A 533 -0.133 -8.412 5.658 1.00 61.14 C ATOM 811 CD1 LEU A 533 -1.191 -8.662 6.721 1.00 1.42 C ATOM 812 CD2 LEU A 533 1.148 -9.163 5.991 1.00 60.15 C ATOM 0 H LEU A 533 -2.878 -10.113 3.499 1.00 53.12 H new ATOM 0 HA LEU A 533 -2.250 -7.406 4.527 1.00 2.43 H new ATOM 0 HB2 LEU A 533 -0.719 -9.909 4.247 1.00 52.34 H new ATOM 0 HB3 LEU A 533 0.087 -8.527 3.533 1.00 52.34 H new ATOM 0 HG LEU A 533 0.089 -7.345 5.639 1.00 61.14 H new ATOM 0 HD11 LEU A 533 -0.805 -8.364 7.696 1.00 1.42 H new ATOM 0 HD12 LEU A 533 -2.083 -8.079 6.491 1.00 1.42 H new ATOM 0 HD13 LEU A 533 -1.445 -9.722 6.739 1.00 1.42 H new ATOM 0 HD21 LEU A 533 1.503 -8.859 6.976 1.00 60.15 H new ATOM 0 HD22 LEU A 533 0.952 -10.235 5.991 1.00 60.15 H new ATOM 0 HD23 LEU A 533 1.909 -8.934 5.245 1.00 60.15 H new ATOM 824 N PRO A 534 -1.813 -6.398 2.291 1.00 21.24 N ATOM 825 CA PRO A 534 -1.734 -5.750 0.979 1.00 63.21 C ATOM 826 C PRO A 534 -0.424 -6.055 0.260 1.00 21.10 C ATOM 827 O PRO A 534 -0.234 -5.674 -0.895 1.00 72.03 O ATOM 828 CB PRO A 534 -1.826 -4.259 1.313 1.00 23.32 C ATOM 829 CG PRO A 534 -1.325 -4.153 2.712 1.00 22.12 C ATOM 830 CD PRO A 534 -1.734 -5.428 3.396 1.00 31.15 C ATOM 0 HA PRO A 534 -2.516 -6.099 0.305 1.00 63.21 H new ATOM 0 HB2 PRO A 534 -1.222 -3.662 0.630 1.00 23.32 H new ATOM 0 HB3 PRO A 534 -2.851 -3.897 1.231 1.00 23.32 H new ATOM 0 HG2 PRO A 534 -0.242 -4.030 2.730 1.00 22.12 H new ATOM 0 HG3 PRO A 534 -1.753 -3.286 3.215 1.00 22.12 H new ATOM 0 HD2 PRO A 534 -1.005 -5.733 4.147 1.00 31.15 H new ATOM 0 HD3 PRO A 534 -2.691 -5.321 3.906 1.00 31.15 H new ATOM 838 N LYS A 535 0.478 -6.745 0.950 1.00 12.13 N ATOM 839 CA LYS A 535 1.770 -7.103 0.378 1.00 60.22 C ATOM 840 C LYS A 535 1.608 -7.625 -1.046 1.00 44.24 C ATOM 841 O LYS A 535 0.616 -8.276 -1.370 1.00 62.04 O ATOM 842 CB LYS A 535 2.459 -8.160 1.244 1.00 4.21 C ATOM 843 CG LYS A 535 2.722 -7.702 2.668 1.00 5.41 C ATOM 844 CD LYS A 535 3.757 -6.590 2.714 1.00 2.10 C ATOM 845 CE LYS A 535 5.158 -7.120 2.447 1.00 34.45 C ATOM 846 NZ LYS A 535 5.865 -7.478 3.708 1.00 13.44 N ATOM 0 H LYS A 535 0.337 -7.068 1.907 1.00 12.13 H new ATOM 0 HA LYS A 535 2.388 -6.206 0.350 1.00 60.22 H new ATOM 0 HB2 LYS A 535 1.841 -9.057 1.268 1.00 4.21 H new ATOM 0 HB3 LYS A 535 3.405 -8.437 0.780 1.00 4.21 H new ATOM 0 HG2 LYS A 535 1.792 -7.353 3.117 1.00 5.41 H new ATOM 0 HG3 LYS A 535 3.067 -8.546 3.265 1.00 5.41 H new ATOM 0 HD2 LYS A 535 3.508 -5.829 1.975 1.00 2.10 H new ATOM 0 HD3 LYS A 535 3.730 -6.107 3.691 1.00 2.10 H new ATOM 0 HE2 LYS A 535 5.098 -7.997 1.803 1.00 34.45 H new ATOM 0 HE3 LYS A 535 5.734 -6.368 1.908 1.00 34.45 H new ATOM 0 HZ1 LYS A 535 6.816 -7.835 3.484 1.00 13.44 H new ATOM 0 HZ2 LYS A 535 5.945 -6.635 4.312 1.00 13.44 H new ATOM 0 HZ3 LYS A 535 5.328 -8.214 4.210 1.00 13.44 H new ATOM 860 N GLY A 536 2.592 -7.335 -1.893 1.00 73.13 N ATOM 861 CA GLY A 536 2.539 -7.784 -3.272 1.00 42.04 C ATOM 862 C GLY A 536 3.802 -8.508 -3.695 1.00 30.32 C ATOM 863 O GLY A 536 4.339 -8.256 -4.773 1.00 3.54 O ATOM 0 H GLY A 536 3.424 -6.798 -1.649 1.00 73.13 H new ATOM 0 HA2 GLY A 536 1.683 -8.446 -3.403 1.00 42.04 H new ATOM 0 HA3 GLY A 536 2.380 -6.925 -3.925 1.00 42.04 H new ATOM 867 N MET A 537 4.278 -9.411 -2.843 1.00 12.52 N ATOM 868 CA MET A 537 5.486 -10.173 -3.134 1.00 22.30 C ATOM 869 C MET A 537 5.758 -11.200 -2.039 1.00 3.31 C ATOM 870 O MET A 537 6.724 -11.095 -1.283 1.00 2.02 O ATOM 871 CB MET A 537 6.685 -9.234 -3.278 1.00 64.33 C ATOM 872 CG MET A 537 7.763 -9.763 -4.211 1.00 32.40 C ATOM 873 SD MET A 537 8.720 -8.446 -4.985 1.00 55.33 S ATOM 874 CE MET A 537 10.359 -9.166 -4.973 1.00 5.35 C ATOM 0 H MET A 537 3.845 -9.632 -1.946 1.00 12.52 H new ATOM 0 HA MET A 537 5.334 -10.703 -4.074 1.00 22.30 H new ATOM 0 HB2 MET A 537 6.338 -8.269 -3.647 1.00 64.33 H new ATOM 0 HB3 MET A 537 7.121 -9.061 -2.294 1.00 64.33 H new ATOM 0 HG2 MET A 537 8.435 -10.414 -3.651 1.00 32.40 H new ATOM 0 HG3 MET A 537 7.300 -10.374 -4.986 1.00 32.40 H new ATOM 0 HE1 MET A 537 11.066 -8.468 -5.421 1.00 5.35 H new ATOM 0 HE2 MET A 537 10.657 -9.375 -3.946 1.00 5.35 H new ATOM 0 HE3 MET A 537 10.353 -10.094 -5.545 1.00 5.35 H new ATOM 884 N PRO A 538 4.888 -12.216 -1.950 1.00 34.23 N ATOM 885 CA PRO A 538 5.014 -13.281 -0.950 1.00 73.12 C ATOM 886 C PRO A 538 6.203 -14.195 -1.224 1.00 61.20 C ATOM 887 O PRO A 538 6.938 -14.001 -2.191 1.00 40.13 O ATOM 888 CB PRO A 538 3.701 -14.056 -1.090 1.00 12.44 C ATOM 889 CG PRO A 538 3.256 -13.798 -2.488 1.00 33.12 C ATOM 890 CD PRO A 538 3.713 -12.404 -2.818 1.00 23.30 C ATOM 0 HA PRO A 538 5.186 -12.883 0.050 1.00 73.12 H new ATOM 0 HB2 PRO A 538 3.849 -15.121 -0.912 1.00 12.44 H new ATOM 0 HB3 PRO A 538 2.960 -13.712 -0.369 1.00 12.44 H new ATOM 0 HG2 PRO A 538 3.690 -14.524 -3.176 1.00 33.12 H new ATOM 0 HG3 PRO A 538 2.173 -13.884 -2.575 1.00 33.12 H new ATOM 0 HD2 PRO A 538 3.972 -12.305 -3.872 1.00 23.30 H new ATOM 0 HD3 PRO A 538 2.937 -11.667 -2.610 1.00 23.30 H new ATOM 898 N GLY A 539 6.387 -15.194 -0.365 1.00 55.33 N ATOM 899 CA GLY A 539 7.488 -16.123 -0.533 1.00 24.22 C ATOM 900 C GLY A 539 8.749 -15.660 0.170 1.00 62.32 C ATOM 901 O GLY A 539 9.809 -16.268 0.021 1.00 75.30 O ATOM 0 H GLY A 539 5.793 -15.376 0.444 1.00 55.33 H new ATOM 0 HA2 GLY A 539 7.198 -17.100 -0.146 1.00 24.22 H new ATOM 0 HA3 GLY A 539 7.694 -16.250 -1.596 1.00 24.22 H new ATOM 905 N GLU A 540 8.635 -14.580 0.936 1.00 3.01 N ATOM 906 CA GLU A 540 9.777 -14.035 1.662 1.00 73.22 C ATOM 907 C GLU A 540 10.029 -14.819 2.946 1.00 24.33 C ATOM 908 O GLU A 540 11.114 -15.365 3.151 1.00 51.03 O ATOM 909 CB GLU A 540 9.543 -12.559 1.990 1.00 23.00 C ATOM 910 CG GLU A 540 8.931 -11.770 0.845 1.00 72.32 C ATOM 911 CD GLU A 540 9.120 -10.274 1.000 1.00 12.23 C ATOM 912 OE1 GLU A 540 8.275 -9.636 1.663 1.00 50.53 O ATOM 913 OE2 GLU A 540 10.111 -9.741 0.460 1.00 64.11 O ATOM 0 H GLU A 540 7.765 -14.065 1.070 1.00 3.01 H new ATOM 0 HA GLU A 540 10.657 -14.123 1.024 1.00 73.22 H new ATOM 0 HB2 GLU A 540 8.889 -12.488 2.859 1.00 23.00 H new ATOM 0 HB3 GLU A 540 10.493 -12.102 2.268 1.00 23.00 H new ATOM 0 HG2 GLU A 540 9.379 -12.093 -0.094 1.00 72.32 H new ATOM 0 HG3 GLU A 540 7.866 -11.993 0.783 1.00 72.32 H new ATOM 920 N VAL A 541 9.020 -14.870 3.810 1.00 70.53 N ATOM 921 CA VAL A 541 9.131 -15.588 5.074 1.00 2.43 C ATOM 922 C VAL A 541 8.890 -17.081 4.882 1.00 2.34 C ATOM 923 O VAL A 541 9.476 -17.910 5.580 1.00 61.13 O ATOM 924 CB VAL A 541 8.133 -15.047 6.116 1.00 62.34 C ATOM 925 CG1 VAL A 541 8.335 -15.737 7.456 1.00 15.24 C ATOM 926 CG2 VAL A 541 8.274 -13.539 6.256 1.00 64.12 C ATOM 0 H VAL A 541 8.116 -14.422 3.657 1.00 70.53 H new ATOM 0 HA VAL A 541 10.146 -15.432 5.439 1.00 2.43 H new ATOM 0 HB VAL A 541 7.122 -15.263 5.772 1.00 62.34 H new ATOM 0 HG11 VAL A 541 7.622 -15.342 8.180 1.00 15.24 H new ATOM 0 HG12 VAL A 541 8.179 -16.810 7.340 1.00 15.24 H new ATOM 0 HG13 VAL A 541 9.350 -15.554 7.810 1.00 15.24 H new ATOM 0 HG21 VAL A 541 7.562 -13.174 6.996 1.00 64.12 H new ATOM 0 HG22 VAL A 541 9.287 -13.297 6.577 1.00 64.12 H new ATOM 0 HG23 VAL A 541 8.075 -13.064 5.295 1.00 64.12 H new ATOM 936 N LEU A 542 8.025 -17.417 3.933 1.00 73.25 N ATOM 937 CA LEU A 542 7.706 -18.812 3.647 1.00 13.23 C ATOM 938 C LEU A 542 8.929 -19.553 3.119 1.00 64.31 C ATOM 939 O LEU A 542 9.009 -20.778 3.205 1.00 21.32 O ATOM 940 CB LEU A 542 6.565 -18.897 2.631 1.00 24.23 C ATOM 941 CG LEU A 542 5.150 -18.801 3.201 1.00 32.34 C ATOM 942 CD1 LEU A 542 4.710 -17.349 3.296 1.00 53.42 C ATOM 943 CD2 LEU A 542 4.176 -19.601 2.348 1.00 30.25 C ATOM 0 H LEU A 542 7.531 -16.743 3.348 1.00 73.25 H new ATOM 0 HA LEU A 542 7.392 -19.285 4.577 1.00 13.23 H new ATOM 0 HB2 LEU A 542 6.696 -18.099 1.900 1.00 24.23 H new ATOM 0 HB3 LEU A 542 6.655 -19.840 2.092 1.00 24.23 H new ATOM 0 HG LEU A 542 5.154 -19.224 4.206 1.00 32.34 H new ATOM 0 HD11 LEU A 542 3.700 -17.301 3.704 1.00 53.42 H new ATOM 0 HD12 LEU A 542 5.392 -16.804 3.949 1.00 53.42 H new ATOM 0 HD13 LEU A 542 4.722 -16.899 2.303 1.00 53.42 H new ATOM 0 HD21 LEU A 542 3.174 -19.521 2.769 1.00 30.25 H new ATOM 0 HD22 LEU A 542 4.175 -19.208 1.331 1.00 30.25 H new ATOM 0 HD23 LEU A 542 4.481 -20.647 2.332 1.00 30.25 H new ATOM 955 N GLN A 543 9.881 -18.802 2.574 1.00 12.22 N ATOM 956 CA GLN A 543 11.101 -19.388 2.033 1.00 22.55 C ATOM 957 C GLN A 543 12.126 -19.626 3.137 1.00 23.44 C ATOM 958 O GLN A 543 12.558 -20.757 3.365 1.00 71.11 O ATOM 959 CB GLN A 543 11.696 -18.479 0.957 1.00 74.25 C ATOM 960 CG GLN A 543 11.190 -18.784 -0.444 1.00 63.53 C ATOM 961 CD GLN A 543 11.996 -19.869 -1.132 1.00 44.41 C ATOM 962 OE1 GLN A 543 13.003 -20.341 -0.602 1.00 54.12 O ATOM 963 NE2 GLN A 543 11.558 -20.270 -2.320 1.00 13.44 N ATOM 0 H GLN A 543 9.830 -17.786 2.496 1.00 12.22 H new ATOM 0 HA GLN A 543 10.845 -20.348 1.586 1.00 22.55 H new ATOM 0 HB2 GLN A 543 11.465 -17.442 1.200 1.00 74.25 H new ATOM 0 HB3 GLN A 543 12.782 -18.575 0.971 1.00 74.25 H new ATOM 0 HG2 GLN A 543 10.146 -19.091 -0.390 1.00 63.53 H new ATOM 0 HG3 GLN A 543 11.224 -17.875 -1.045 1.00 63.53 H new ATOM 0 HE21 GLN A 543 10.719 -19.852 -2.722 1.00 13.44 H new ATOM 0 HE22 GLN A 543 12.061 -20.996 -2.830 1.00 13.44 H new ATOM 972 N HIS A 544 12.513 -18.554 3.821 1.00 53.44 N ATOM 973 CA HIS A 544 13.488 -18.646 4.902 1.00 54.14 C ATOM 974 C HIS A 544 12.907 -19.400 6.094 1.00 13.31 C ATOM 975 O HIS A 544 13.484 -20.381 6.562 1.00 21.32 O ATOM 976 CB HIS A 544 13.934 -17.249 5.335 1.00 62.23 C ATOM 977 CG HIS A 544 15.292 -17.224 5.967 1.00 51.44 C ATOM 978 ND1 HIS A 544 15.716 -16.209 6.799 1.00 53.04 N ATOM 979 CD2 HIS A 544 16.323 -18.097 5.885 1.00 32.05 C ATOM 980 CE1 HIS A 544 16.949 -16.459 7.201 1.00 41.54 C ATOM 981 NE2 HIS A 544 17.341 -17.599 6.661 1.00 54.30 N ATOM 0 H HIS A 544 12.166 -17.611 3.646 1.00 53.44 H new ATOM 0 HA HIS A 544 14.353 -19.197 4.533 1.00 54.14 H new ATOM 0 HB2 HIS A 544 13.934 -16.591 4.466 1.00 62.23 H new ATOM 0 HB3 HIS A 544 13.207 -16.846 6.040 1.00 62.23 H new ATOM 0 HD2 HIS A 544 16.342 -19.014 5.315 1.00 32.05 H new ATOM 0 HE1 HIS A 544 17.537 -15.837 7.860 1.00 41.54 H new ATOM 0 HE2 HIS A 544 18.251 -18.038 6.798 1.00 54.30 H new ATOM 989 N PHE A 545 11.762 -18.934 6.582 1.00 54.13 N ATOM 990 CA PHE A 545 11.104 -19.563 7.721 1.00 55.11 C ATOM 991 C PHE A 545 10.182 -20.689 7.263 1.00 71.44 C ATOM 992 O PHE A 545 9.044 -20.803 7.721 1.00 44.31 O ATOM 993 CB PHE A 545 10.305 -18.525 8.512 1.00 33.33 C ATOM 994 CG PHE A 545 11.123 -17.791 9.536 1.00 65.55 C ATOM 995 CD1 PHE A 545 10.807 -17.871 10.882 1.00 32.11 C ATOM 996 CD2 PHE A 545 12.210 -17.023 9.151 1.00 1.40 C ATOM 997 CE1 PHE A 545 11.558 -17.196 11.826 1.00 61.14 C ATOM 998 CE2 PHE A 545 12.965 -16.346 10.090 1.00 5.21 C ATOM 999 CZ PHE A 545 12.639 -16.434 11.429 1.00 5.43 C ATOM 0 H PHE A 545 11.271 -18.123 6.206 1.00 54.13 H new ATOM 0 HA PHE A 545 11.874 -19.987 8.365 1.00 55.11 H new ATOM 0 HB2 PHE A 545 9.875 -17.803 7.818 1.00 33.33 H new ATOM 0 HB3 PHE A 545 9.473 -19.022 9.011 1.00 33.33 H new ATOM 0 HD1 PHE A 545 9.964 -18.468 11.198 1.00 32.11 H new ATOM 0 HD2 PHE A 545 12.470 -16.953 8.105 1.00 1.40 H new ATOM 0 HE1 PHE A 545 11.300 -17.264 12.872 1.00 61.14 H new ATOM 0 HE2 PHE A 545 13.809 -15.749 9.777 1.00 5.21 H new ATOM 0 HZ PHE A 545 13.229 -15.908 12.165 1.00 5.43 H new ATOM 1009 N THR A 546 10.681 -21.522 6.354 1.00 51.43 N ATOM 1010 CA THR A 546 9.903 -22.638 5.831 1.00 25.23 C ATOM 1011 C THR A 546 9.914 -23.816 6.799 1.00 50.10 C ATOM 1012 O THR A 546 9.063 -24.702 6.722 1.00 30.20 O ATOM 1013 CB THR A 546 10.440 -23.106 4.465 1.00 2.13 C ATOM 1014 OG1 THR A 546 9.503 -23.996 3.849 1.00 32.14 O ATOM 1015 CG2 THR A 546 11.783 -23.804 4.622 1.00 52.14 C ATOM 0 H THR A 546 11.621 -21.444 5.965 1.00 51.43 H new ATOM 0 HA THR A 546 8.881 -22.281 5.708 1.00 25.23 H new ATOM 0 HB THR A 546 10.576 -22.229 3.833 1.00 2.13 H new ATOM 0 HG1 THR A 546 9.002 -24.475 4.542 1.00 32.14 H new ATOM 0 HG21 THR A 546 12.142 -24.126 3.644 1.00 52.14 H new ATOM 0 HG22 THR A 546 12.502 -23.114 5.064 1.00 52.14 H new ATOM 0 HG23 THR A 546 11.668 -24.673 5.270 1.00 52.14 H new ATOM 1023 N ARG A 547 10.882 -23.819 7.710 1.00 52.13 N ATOM 1024 CA ARG A 547 11.003 -24.889 8.693 1.00 53.14 C ATOM 1025 C ARG A 547 10.697 -24.375 10.096 1.00 11.34 C ATOM 1026 O ARG A 547 10.341 -25.146 10.988 1.00 2.45 O ATOM 1027 CB ARG A 547 12.409 -25.490 8.653 1.00 31.02 C ATOM 1028 CG ARG A 547 13.514 -24.470 8.872 1.00 51.40 C ATOM 1029 CD ARG A 547 14.049 -23.936 7.552 1.00 21.42 C ATOM 1030 NE ARG A 547 15.492 -23.715 7.596 1.00 20.20 N ATOM 1031 CZ ARG A 547 16.388 -24.694 7.526 1.00 51.50 C ATOM 1032 NH1 ARG A 547 15.991 -25.953 7.409 1.00 61.21 N ATOM 1033 NH2 ARG A 547 17.684 -24.413 7.572 1.00 11.55 N ATOM 0 H ARG A 547 11.594 -23.092 7.788 1.00 52.13 H new ATOM 0 HA ARG A 547 10.277 -25.663 8.442 1.00 53.14 H new ATOM 0 HB2 ARG A 547 12.485 -26.265 9.416 1.00 31.02 H new ATOM 0 HB3 ARG A 547 12.560 -25.975 7.689 1.00 31.02 H new ATOM 0 HG2 ARG A 547 13.134 -23.644 9.473 1.00 51.40 H new ATOM 0 HG3 ARG A 547 14.326 -24.928 9.437 1.00 51.40 H new ATOM 0 HD2 ARG A 547 13.814 -24.640 6.754 1.00 21.42 H new ATOM 0 HD3 ARG A 547 13.546 -23.000 7.309 1.00 21.42 H new ATOM 0 HE ARG A 547 15.831 -22.757 7.685 1.00 20.20 H new ATOM 0 HH11 ARG A 547 14.996 -26.173 7.372 1.00 61.21 H new ATOM 0 HH12 ARG A 547 16.681 -26.702 7.355 1.00 61.21 H new ATOM 0 HH21 ARG A 547 17.993 -23.445 7.661 1.00 11.55 H new ATOM 0 HH22 ARG A 547 18.371 -25.165 7.518 1.00 11.55 H new ATOM 1047 N THR A 548 10.838 -23.066 10.286 1.00 65.41 N ATOM 1048 CA THR A 548 10.579 -22.449 11.580 1.00 24.24 C ATOM 1049 C THR A 548 9.403 -21.483 11.503 1.00 32.14 C ATOM 1050 O THR A 548 9.344 -20.632 10.616 1.00 12.52 O ATOM 1051 CB THR A 548 11.817 -21.693 12.100 1.00 73.01 C ATOM 1052 OG1 THR A 548 12.941 -22.578 12.162 1.00 1.50 O ATOM 1053 CG2 THR A 548 11.552 -21.104 13.477 1.00 0.32 C ATOM 0 H THR A 548 11.130 -22.413 9.559 1.00 65.41 H new ATOM 0 HA THR A 548 10.338 -23.256 12.272 1.00 24.24 H new ATOM 0 HB THR A 548 12.035 -20.878 11.410 1.00 73.01 H new ATOM 0 HG1 THR A 548 13.724 -22.090 12.492 1.00 1.50 H new ATOM 0 HG21 THR A 548 12.440 -20.575 13.824 1.00 0.32 H new ATOM 0 HG22 THR A 548 10.714 -20.409 13.420 1.00 0.32 H new ATOM 0 HG23 THR A 548 11.311 -21.906 14.175 1.00 0.32 H new ATOM 1061 N ARG A 549 8.468 -21.620 12.438 1.00 22.42 N ATOM 1062 CA ARG A 549 7.292 -20.759 12.475 1.00 24.32 C ATOM 1063 C ARG A 549 6.756 -20.632 13.898 1.00 4.12 C ATOM 1064 O ARG A 549 7.278 -21.251 14.826 1.00 72.30 O ATOM 1065 CB ARG A 549 6.201 -21.310 11.555 1.00 23.23 C ATOM 1066 CG ARG A 549 6.431 -21.000 10.085 1.00 35.30 C ATOM 1067 CD ARG A 549 6.884 -22.234 9.320 1.00 42.21 C ATOM 1068 NE ARG A 549 5.844 -23.257 9.265 1.00 31.34 N ATOM 1069 CZ ARG A 549 6.091 -24.547 9.063 1.00 44.42 C ATOM 1070 NH1 ARG A 549 7.338 -24.968 8.897 1.00 54.21 N ATOM 1071 NH2 ARG A 549 5.091 -25.418 9.026 1.00 1.33 N ATOM 0 H ARG A 549 8.502 -22.319 13.180 1.00 22.42 H new ATOM 0 HA ARG A 549 7.586 -19.769 12.126 1.00 24.32 H new ATOM 0 HB2 ARG A 549 6.140 -22.391 11.685 1.00 23.23 H new ATOM 0 HB3 ARG A 549 5.239 -20.897 11.859 1.00 23.23 H new ATOM 0 HG2 ARG A 549 5.511 -20.615 9.645 1.00 35.30 H new ATOM 0 HG3 ARG A 549 7.182 -20.216 9.991 1.00 35.30 H new ATOM 0 HD2 ARG A 549 7.166 -21.949 8.306 1.00 42.21 H new ATOM 0 HD3 ARG A 549 7.774 -22.647 9.794 1.00 42.21 H new ATOM 0 HE ARG A 549 4.874 -22.966 9.388 1.00 31.34 H new ATOM 0 HH11 ARG A 549 8.109 -24.301 8.924 1.00 54.21 H new ATOM 0 HH12 ARG A 549 7.525 -25.959 8.742 1.00 54.21 H new ATOM 0 HH21 ARG A 549 4.131 -25.098 9.153 1.00 1.33 H new ATOM 0 HH22 ARG A 549 5.282 -26.408 8.871 1.00 1.33 H new ATOM 1085 N ILE A 550 5.714 -19.825 14.062 1.00 14.00 N ATOM 1086 CA ILE A 550 5.107 -19.617 15.371 1.00 24.22 C ATOM 1087 C ILE A 550 3.762 -18.911 15.248 1.00 54.30 C ATOM 1088 O ILE A 550 3.300 -18.619 14.144 1.00 50.31 O ATOM 1089 CB ILE A 550 6.025 -18.792 16.292 1.00 3.21 C ATOM 1090 CG1 ILE A 550 5.755 -19.135 17.758 1.00 11.24 C ATOM 1091 CG2 ILE A 550 5.824 -17.304 16.045 1.00 65.13 C ATOM 1092 CD1 ILE A 550 7.013 -19.321 18.577 1.00 10.24 C ATOM 0 H ILE A 550 5.272 -19.304 13.305 1.00 14.00 H new ATOM 0 HA ILE A 550 4.957 -20.604 15.810 1.00 24.22 H new ATOM 0 HB ILE A 550 7.061 -19.042 16.065 1.00 3.21 H new ATOM 0 HG12 ILE A 550 5.155 -18.342 18.204 1.00 11.24 H new ATOM 0 HG13 ILE A 550 5.162 -20.048 17.806 1.00 11.24 H new ATOM 0 HG21 ILE A 550 6.480 -16.734 16.703 1.00 65.13 H new ATOM 0 HG22 ILE A 550 6.062 -17.072 15.007 1.00 65.13 H new ATOM 0 HG23 ILE A 550 4.786 -17.038 16.248 1.00 65.13 H new ATOM 0 HD11 ILE A 550 6.745 -19.562 19.606 1.00 10.24 H new ATOM 0 HD12 ILE A 550 7.604 -20.134 18.156 1.00 10.24 H new ATOM 0 HD13 ILE A 550 7.597 -18.401 18.560 1.00 10.24 H new ATOM 1104 N LEU A 551 3.137 -18.637 16.388 1.00 40.31 N ATOM 1105 CA LEU A 551 1.844 -17.962 16.409 1.00 51.12 C ATOM 1106 C LEU A 551 1.763 -16.906 15.311 1.00 10.21 C ATOM 1107 O LEU A 551 0.741 -16.773 14.639 1.00 45.52 O ATOM 1108 CB LEU A 551 1.607 -17.314 17.774 1.00 14.01 C ATOM 1109 CG LEU A 551 2.536 -16.155 18.138 1.00 74.23 C ATOM 1110 CD1 LEU A 551 1.928 -14.829 17.709 1.00 54.22 C ATOM 1111 CD2 LEU A 551 2.826 -16.153 19.632 1.00 53.25 C ATOM 0 H LEU A 551 3.505 -18.872 17.310 1.00 40.31 H new ATOM 0 HA LEU A 551 1.070 -18.708 16.228 1.00 51.12 H new ATOM 0 HB2 LEU A 551 0.579 -16.954 17.809 1.00 14.01 H new ATOM 0 HB3 LEU A 551 1.702 -18.083 18.540 1.00 14.01 H new ATOM 0 HG LEU A 551 3.478 -16.288 17.606 1.00 74.23 H new ATOM 0 HD11 LEU A 551 2.603 -14.016 17.976 1.00 54.22 H new ATOM 0 HD12 LEU A 551 1.773 -14.832 16.630 1.00 54.22 H new ATOM 0 HD13 LEU A 551 0.972 -14.687 18.213 1.00 54.22 H new ATOM 0 HD21 LEU A 551 3.489 -15.322 19.873 1.00 53.25 H new ATOM 0 HD22 LEU A 551 1.892 -16.045 20.184 1.00 53.25 H new ATOM 0 HD23 LEU A 551 3.305 -17.091 19.911 1.00 53.25 H new ATOM 1123 N ASN A 552 2.848 -16.159 15.135 1.00 41.15 N ATOM 1124 CA ASN A 552 2.900 -15.116 14.117 1.00 44.41 C ATOM 1125 C ASN A 552 3.134 -15.716 12.734 1.00 53.12 C ATOM 1126 O ASN A 552 2.297 -15.587 11.839 1.00 4.05 O ATOM 1127 CB ASN A 552 4.008 -14.111 14.443 1.00 71.52 C ATOM 1128 CG ASN A 552 3.932 -12.867 13.580 1.00 12.51 C ATOM 1129 OD1 ASN A 552 2.846 -12.422 13.206 1.00 22.34 O ATOM 1130 ND2 ASN A 552 5.088 -12.297 13.260 1.00 60.54 N ATOM 0 H ASN A 552 3.702 -16.256 15.684 1.00 41.15 H new ATOM 0 HA ASN A 552 1.940 -14.600 14.112 1.00 44.41 H new ATOM 0 HB2 ASN A 552 3.939 -13.826 15.493 1.00 71.52 H new ATOM 0 HB3 ASN A 552 4.979 -14.587 14.305 1.00 71.52 H new ATOM 0 HD21 ASN A 552 5.100 -11.456 12.682 1.00 60.54 H new ATOM 0 HD22 ASN A 552 5.964 -12.700 13.592 1.00 60.54 H new ATOM 1137 N LYS A 553 4.276 -16.373 12.565 1.00 21.23 N ATOM 1138 CA LYS A 553 4.620 -16.996 11.293 1.00 44.03 C ATOM 1139 C LYS A 553 3.605 -18.072 10.921 1.00 24.22 C ATOM 1140 O LYS A 553 2.840 -18.553 11.757 1.00 10.45 O ATOM 1141 CB LYS A 553 6.023 -17.605 11.362 1.00 12.22 C ATOM 1142 CG LYS A 553 6.997 -16.794 12.199 1.00 30.13 C ATOM 1143 CD LYS A 553 6.994 -15.329 11.795 1.00 23.25 C ATOM 1144 CE LYS A 553 8.306 -14.649 12.156 1.00 23.31 C ATOM 1145 NZ LYS A 553 8.442 -14.451 13.626 1.00 44.33 N ATOM 0 H LYS A 553 4.980 -16.488 13.294 1.00 21.23 H new ATOM 0 HA LYS A 553 4.603 -16.224 10.523 1.00 44.03 H new ATOM 0 HB2 LYS A 553 5.953 -18.612 11.774 1.00 12.22 H new ATOM 0 HB3 LYS A 553 6.418 -17.701 10.351 1.00 12.22 H new ATOM 0 HG2 LYS A 553 6.734 -16.882 13.253 1.00 30.13 H new ATOM 0 HG3 LYS A 553 8.002 -17.201 12.086 1.00 30.13 H new ATOM 0 HD2 LYS A 553 6.824 -15.247 10.722 1.00 23.25 H new ATOM 0 HD3 LYS A 553 6.169 -14.816 12.289 1.00 23.25 H new ATOM 0 HE2 LYS A 553 9.139 -15.250 11.792 1.00 23.31 H new ATOM 0 HE3 LYS A 553 8.366 -13.684 11.653 1.00 23.31 H new ATOM 0 HZ1 LYS A 553 9.349 -13.985 13.831 1.00 44.33 H new ATOM 0 HZ2 LYS A 553 7.661 -13.856 13.970 1.00 44.33 H new ATOM 0 HZ3 LYS A 553 8.411 -15.374 14.105 1.00 44.33 H new ATOM 1159 N PRO A 554 3.598 -18.462 9.638 1.00 72.11 N ATOM 1160 CA PRO A 554 2.683 -19.487 9.127 1.00 31.55 C ATOM 1161 C PRO A 554 3.022 -20.879 9.650 1.00 21.23 C ATOM 1162 O PRO A 554 3.608 -21.694 8.938 1.00 2.13 O ATOM 1163 CB PRO A 554 2.886 -19.421 7.612 1.00 62.52 C ATOM 1164 CG PRO A 554 4.262 -18.877 7.437 1.00 31.24 C ATOM 1165 CD PRO A 554 4.482 -17.932 8.586 1.00 22.44 C ATOM 0 HA PRO A 554 1.655 -19.308 9.441 1.00 31.55 H new ATOM 0 HB2 PRO A 554 2.789 -20.406 7.156 1.00 62.52 H new ATOM 0 HB3 PRO A 554 2.143 -18.777 7.141 1.00 62.52 H new ATOM 0 HG2 PRO A 554 5.002 -19.677 7.443 1.00 31.24 H new ATOM 0 HG3 PRO A 554 4.359 -18.360 6.482 1.00 31.24 H new ATOM 0 HD2 PRO A 554 5.524 -17.922 8.904 1.00 22.44 H new ATOM 0 HD3 PRO A 554 4.221 -16.908 8.320 1.00 22.44 H new ATOM 1173 N MET A 555 2.649 -21.145 10.898 1.00 3.40 N ATOM 1174 CA MET A 555 2.913 -22.439 11.515 1.00 62.40 C ATOM 1175 C MET A 555 2.177 -23.553 10.777 1.00 21.32 C ATOM 1176 O MET A 555 2.786 -24.528 10.340 1.00 62.51 O ATOM 1177 CB MET A 555 2.494 -22.422 12.986 1.00 33.31 C ATOM 1178 CG MET A 555 2.520 -23.794 13.641 1.00 13.44 C ATOM 1179 SD MET A 555 4.174 -24.510 13.688 1.00 74.13 S ATOM 1180 CE MET A 555 3.873 -26.105 12.929 1.00 3.50 C ATOM 0 H MET A 555 2.163 -20.481 11.501 1.00 3.40 H new ATOM 0 HA MET A 555 3.984 -22.632 11.453 1.00 62.40 H new ATOM 0 HB2 MET A 555 3.156 -21.753 13.536 1.00 33.31 H new ATOM 0 HB3 MET A 555 1.488 -22.010 13.064 1.00 33.31 H new ATOM 0 HG2 MET A 555 2.134 -23.715 14.657 1.00 13.44 H new ATOM 0 HG3 MET A 555 1.853 -24.464 13.098 1.00 13.44 H new ATOM 0 HE1 MET A 555 4.560 -26.842 13.346 1.00 3.50 H new ATOM 0 HE2 MET A 555 2.846 -26.414 13.126 1.00 3.50 H new ATOM 0 HE3 MET A 555 4.030 -26.031 11.853 1.00 3.50 H new ATOM 1190 N ASN A 556 0.864 -23.401 10.643 1.00 14.21 N ATOM 1191 CA ASN A 556 0.045 -24.395 9.959 1.00 53.12 C ATOM 1192 C ASN A 556 -1.167 -23.742 9.301 1.00 12.11 C ATOM 1193 O ASN A 556 -2.310 -24.089 9.599 1.00 63.23 O ATOM 1194 CB ASN A 556 -0.414 -25.473 10.943 1.00 50.02 C ATOM 1195 CG ASN A 556 -0.812 -26.760 10.246 1.00 12.22 C ATOM 1196 OD1 ASN A 556 -0.081 -27.833 10.524 1.00 22.11 O flip ATOM 1197 ND2 ASN A 556 -1.766 -26.788 9.468 1.00 74.23 N flip ATOM 0 H ASN A 556 0.344 -22.599 10.999 1.00 14.21 H new ATOM 0 HA ASN A 556 0.653 -24.857 9.182 1.00 53.12 H new ATOM 0 HB2 ASN A 556 0.388 -25.680 11.652 1.00 50.02 H new ATOM 0 HB3 ASN A 556 -1.260 -25.099 11.519 1.00 50.02 H new ATOM 0 HD21 ASN A 556 -2.300 -25.938 9.284 1.00 74.23 H new ATOM 0 HD22 ASN A 556 -2.023 -27.661 9.007 1.00 74.23 H new ATOM 1204 N MET A 557 -0.909 -22.795 8.405 1.00 2.34 N ATOM 1205 CA MET A 557 -1.979 -22.094 7.704 1.00 24.41 C ATOM 1206 C MET A 557 -2.109 -22.598 6.270 1.00 34.12 C ATOM 1207 O MET A 557 -1.268 -23.358 5.791 1.00 0.23 O ATOM 1208 CB MET A 557 -1.717 -20.587 7.706 1.00 70.04 C ATOM 1209 CG MET A 557 -0.318 -20.213 7.245 1.00 42.54 C ATOM 1210 SD MET A 557 -0.328 -19.019 5.893 1.00 20.01 S ATOM 1211 CE MET A 557 -0.328 -20.113 4.475 1.00 21.21 C ATOM 0 H MET A 557 0.031 -22.495 8.147 1.00 2.34 H new ATOM 0 HA MET A 557 -2.914 -22.293 8.227 1.00 24.41 H new ATOM 0 HB2 MET A 557 -2.446 -20.099 7.060 1.00 70.04 H new ATOM 0 HB3 MET A 557 -1.874 -20.200 8.713 1.00 70.04 H new ATOM 0 HG2 MET A 557 0.239 -19.799 8.086 1.00 42.54 H new ATOM 0 HG3 MET A 557 0.208 -21.113 6.926 1.00 42.54 H new ATOM 0 HE1 MET A 557 -0.120 -19.539 3.572 1.00 21.21 H new ATOM 0 HE2 MET A 557 0.439 -20.876 4.604 1.00 21.21 H new ATOM 0 HE3 MET A 557 -1.303 -20.591 4.384 1.00 21.21 H new ATOM 1221 N GLN A 558 -3.169 -22.170 5.592 1.00 71.13 N ATOM 1222 CA GLN A 558 -3.409 -22.580 4.213 1.00 51.50 C ATOM 1223 C GLN A 558 -4.082 -21.462 3.423 1.00 75.32 C ATOM 1224 O GLN A 558 -4.949 -20.756 3.941 1.00 60.45 O ATOM 1225 CB GLN A 558 -4.275 -23.840 4.176 1.00 14.24 C ATOM 1226 CG GLN A 558 -3.892 -24.872 5.224 1.00 21.22 C ATOM 1227 CD GLN A 558 -4.503 -26.233 4.954 1.00 51.12 C ATOM 1228 OE1 GLN A 558 -5.615 -26.335 4.435 1.00 51.32 O ATOM 1229 NE2 GLN A 558 -3.778 -27.288 5.305 1.00 62.41 N ATOM 0 H GLN A 558 -3.875 -21.540 5.974 1.00 71.13 H new ATOM 0 HA GLN A 558 -2.446 -22.797 3.752 1.00 51.50 H new ATOM 0 HB2 GLN A 558 -5.318 -23.558 4.320 1.00 14.24 H new ATOM 0 HB3 GLN A 558 -4.200 -24.293 3.187 1.00 14.24 H new ATOM 0 HG2 GLN A 558 -2.806 -24.965 5.257 1.00 21.22 H new ATOM 0 HG3 GLN A 558 -4.212 -24.523 6.206 1.00 21.22 H new ATOM 0 HE21 GLN A 558 -2.861 -27.157 5.732 1.00 62.41 H new ATOM 0 HE22 GLN A 558 -4.138 -28.229 5.147 1.00 62.41 H new ATOM 1238 N LEU A 559 -3.679 -21.307 2.167 1.00 43.32 N ATOM 1239 CA LEU A 559 -4.243 -20.274 1.304 1.00 21.41 C ATOM 1240 C LEU A 559 -5.665 -20.632 0.886 1.00 75.03 C ATOM 1241 O LEU A 559 -5.894 -21.650 0.230 1.00 11.52 O ATOM 1242 CB LEU A 559 -3.367 -20.083 0.064 1.00 33.35 C ATOM 1243 CG LEU A 559 -3.807 -18.986 -0.905 1.00 50.32 C ATOM 1244 CD1 LEU A 559 -4.902 -19.497 -1.829 1.00 2.32 C ATOM 1245 CD2 LEU A 559 -4.281 -17.758 -0.141 1.00 41.24 C ATOM 0 H LEU A 559 -2.964 -21.883 1.723 1.00 43.32 H new ATOM 0 HA LEU A 559 -4.273 -19.341 1.867 1.00 21.41 H new ATOM 0 HB2 LEU A 559 -2.351 -19.864 0.392 1.00 33.35 H new ATOM 0 HB3 LEU A 559 -3.331 -21.027 -0.480 1.00 33.35 H new ATOM 0 HG LEU A 559 -2.949 -18.701 -1.515 1.00 50.32 H new ATOM 0 HD11 LEU A 559 -5.202 -18.702 -2.512 1.00 2.32 H new ATOM 0 HD12 LEU A 559 -4.528 -20.345 -2.402 1.00 2.32 H new ATOM 0 HD13 LEU A 559 -5.761 -19.810 -1.236 1.00 2.32 H new ATOM 0 HD21 LEU A 559 -4.590 -16.987 -0.847 1.00 41.24 H new ATOM 0 HD22 LEU A 559 -5.125 -18.028 0.494 1.00 41.24 H new ATOM 0 HD23 LEU A 559 -3.468 -17.378 0.478 1.00 41.24 H new ATOM 1257 N LEU A 560 -6.618 -19.788 1.267 1.00 73.44 N ATOM 1258 CA LEU A 560 -8.020 -20.014 0.929 1.00 5.21 C ATOM 1259 C LEU A 560 -8.553 -18.894 0.042 1.00 41.33 C ATOM 1260 O LEU A 560 -9.471 -19.100 -0.751 1.00 44.33 O ATOM 1261 CB LEU A 560 -8.861 -20.116 2.202 1.00 12.13 C ATOM 1262 CG LEU A 560 -9.271 -18.790 2.844 1.00 3.13 C ATOM 1263 CD1 LEU A 560 -10.665 -18.385 2.390 1.00 5.02 C ATOM 1264 CD2 LEU A 560 -9.210 -18.891 4.361 1.00 14.25 C ATOM 0 H LEU A 560 -6.446 -18.942 1.810 1.00 73.44 H new ATOM 0 HA LEU A 560 -8.089 -20.952 0.379 1.00 5.21 H new ATOM 0 HB2 LEU A 560 -9.765 -20.680 1.972 1.00 12.13 H new ATOM 0 HB3 LEU A 560 -8.302 -20.695 2.937 1.00 12.13 H new ATOM 0 HG LEU A 560 -8.569 -18.020 2.523 1.00 3.13 H new ATOM 0 HD11 LEU A 560 -10.939 -17.439 2.857 1.00 5.02 H new ATOM 0 HD12 LEU A 560 -10.676 -18.271 1.306 1.00 5.02 H new ATOM 0 HD13 LEU A 560 -11.380 -19.154 2.681 1.00 5.02 H new ATOM 0 HD21 LEU A 560 -9.505 -17.938 4.801 1.00 14.25 H new ATOM 0 HD22 LEU A 560 -9.888 -19.673 4.701 1.00 14.25 H new ATOM 0 HD23 LEU A 560 -8.193 -19.134 4.669 1.00 14.25 H new ATOM 1276 N GLY A 561 -7.969 -17.707 0.180 1.00 12.00 N ATOM 1277 CA GLY A 561 -8.397 -16.572 -0.617 1.00 35.22 C ATOM 1278 C GLY A 561 -7.747 -16.546 -1.986 1.00 21.34 C ATOM 1279 O GLY A 561 -7.319 -17.581 -2.497 1.00 22.44 O ATOM 0 H GLY A 561 -7.207 -17.511 0.830 1.00 12.00 H new ATOM 0 HA2 GLY A 561 -9.480 -16.602 -0.733 1.00 35.22 H new ATOM 0 HA3 GLY A 561 -8.158 -15.650 -0.087 1.00 35.22 H new ATOM 1283 N ASP A 562 -7.674 -15.361 -2.582 1.00 24.44 N ATOM 1284 CA ASP A 562 -7.071 -15.205 -3.900 1.00 50.23 C ATOM 1285 C ASP A 562 -6.900 -13.729 -4.248 1.00 24.33 C ATOM 1286 O ASP A 562 -7.685 -12.885 -3.818 1.00 71.11 O ATOM 1287 CB ASP A 562 -7.929 -15.895 -4.962 1.00 20.22 C ATOM 1288 CG ASP A 562 -7.181 -16.107 -6.263 1.00 64.11 C ATOM 1289 OD1 ASP A 562 -6.093 -16.720 -6.229 1.00 62.13 O ATOM 1290 OD2 ASP A 562 -7.683 -15.661 -7.315 1.00 41.24 O ATOM 0 H ASP A 562 -8.025 -14.495 -2.173 1.00 24.44 H new ATOM 0 HA ASP A 562 -6.086 -15.672 -3.879 1.00 50.23 H new ATOM 0 HB2 ASP A 562 -8.269 -16.858 -4.581 1.00 20.22 H new ATOM 0 HB3 ASP A 562 -8.819 -15.295 -5.152 1.00 20.22 H new ATOM 1295 N ALA A 563 -5.867 -13.426 -5.027 1.00 62.33 N ATOM 1296 CA ALA A 563 -5.593 -12.053 -5.433 1.00 22.40 C ATOM 1297 C ALA A 563 -6.630 -11.560 -6.436 1.00 60.01 C ATOM 1298 O ALA A 563 -6.904 -12.224 -7.436 1.00 1.34 O ATOM 1299 CB ALA A 563 -4.194 -11.946 -6.021 1.00 62.14 C ATOM 0 H ALA A 563 -5.206 -14.113 -5.390 1.00 62.33 H new ATOM 0 HA ALA A 563 -5.652 -11.420 -4.548 1.00 22.40 H new ATOM 0 HB1 ALA A 563 -4.003 -10.915 -6.320 1.00 62.14 H new ATOM 0 HB2 ALA A 563 -3.461 -12.249 -5.273 1.00 62.14 H new ATOM 0 HB3 ALA A 563 -4.114 -12.597 -6.892 1.00 62.14 H new ATOM 1305 N GLN A 564 -7.203 -10.393 -6.162 1.00 14.32 N ATOM 1306 CA GLN A 564 -8.212 -9.812 -7.041 1.00 24.23 C ATOM 1307 C GLN A 564 -7.656 -9.607 -8.446 1.00 3.10 C ATOM 1308 O GLN A 564 -6.682 -8.878 -8.639 1.00 63.44 O ATOM 1309 CB GLN A 564 -8.705 -8.480 -6.475 1.00 15.40 C ATOM 1310 CG GLN A 564 -10.177 -8.211 -6.748 1.00 4.34 C ATOM 1311 CD GLN A 564 -10.779 -7.220 -5.771 1.00 54.13 C ATOM 1312 OE1 GLN A 564 -10.093 -6.706 -4.887 1.00 35.41 O ATOM 1313 NE2 GLN A 564 -12.069 -6.945 -5.927 1.00 33.32 N ATOM 0 H GLN A 564 -6.986 -9.831 -5.339 1.00 14.32 H new ATOM 0 HA GLN A 564 -9.050 -10.506 -7.100 1.00 24.23 H new ATOM 0 HB2 GLN A 564 -8.535 -8.467 -5.398 1.00 15.40 H new ATOM 0 HB3 GLN A 564 -8.111 -7.671 -6.901 1.00 15.40 H new ATOM 0 HG2 GLN A 564 -10.291 -7.830 -7.763 1.00 4.34 H new ATOM 0 HG3 GLN A 564 -10.730 -9.149 -6.696 1.00 4.34 H new ATOM 0 HE21 GLN A 564 -12.600 -7.394 -6.673 1.00 33.32 H new ATOM 0 HE22 GLN A 564 -12.529 -6.285 -5.300 1.00 33.32 H new TER 1322 GLN A 564