USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot 180:sc= 0.058 USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 46 THR OG1 : rot -65:sc= 1.24 USER MOD Set 2.2: A 82 HIS : no HD1:sc= 1.01 K(o=2.2,f=-4.6!) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -154:sc= 0.588 (180deg=0.181) USER MOD Set 3.2: A 88 TYR OH : rot 180:sc= 0.382 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.062 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 160:sc= -0.221 (180deg=-0.756) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -137:sc= -2.04 (180deg=-7.95!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= -0.157 (180deg=-0.53) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -144:sc= 1.28 (180deg=1.18) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -35:sc= -0.498 USER MOD Single : A 42 THR OG1 : rot -78:sc= 1.23 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 49 MET CE :methyl -169:sc= 0 (180deg=-0.00961) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -130:sc= 1.26 (180deg=0.623) USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= -0.0996 (180deg=-0.418) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 8:sc= 0.606 USER MOD Single : A 76 GLN : amide:sc= -0.299 K(o=-0.3,f=-1.4) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 171:sc= 0.765 (180deg=0.378) USER MOD Single : A 90 LYS NZ :NH3+ 153:sc= 0.993 (180deg=-0.181) USER MOD Single : A 91 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.18) USER MOD Single : A 94 HIS : no HD1:sc= -2.87! K(o=-2.9!,f=0.37) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 97 HIS : no HD1:sc= -0.0668 X(o=-0.067,f=-0.37) USER MOD Single : A 98 HIS : no HD1:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 44.072 -22.122 -18.817 1.00 0.00 N ATOM 2 CA MET A 1 43.747 -23.342 -19.588 1.00 0.00 C ATOM 3 C MET A 1 42.251 -23.613 -19.518 1.00 0.00 C ATOM 4 O MET A 1 41.595 -23.246 -18.545 1.00 0.00 O ATOM 5 CB MET A 1 44.531 -24.536 -19.035 1.00 0.00 C ATOM 6 CG MET A 1 44.386 -25.803 -19.867 1.00 0.00 C ATOM 7 SD MET A 1 45.364 -27.179 -19.226 1.00 0.00 S ATOM 8 CE MET A 1 44.971 -28.462 -20.417 1.00 0.00 C ATOM 0 H1 MET A 1 44.850 -22.325 -18.157 1.00 0.00 H new ATOM 0 H2 MET A 1 44.360 -21.365 -19.470 1.00 0.00 H new ATOM 0 H3 MET A 1 43.235 -21.817 -18.281 1.00 0.00 H new ATOM 0 HA MET A 1 44.029 -23.193 -20.630 1.00 0.00 H new ATOM 0 HB2 MET A 1 45.586 -24.270 -18.976 1.00 0.00 H new ATOM 0 HB3 MET A 1 44.196 -24.740 -18.018 1.00 0.00 H new ATOM 0 HG2 MET A 1 43.336 -26.093 -19.898 1.00 0.00 H new ATOM 0 HG3 MET A 1 44.689 -25.595 -20.893 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.502 -29.377 -20.155 1.00 0.00 H new ATOM 0 HE2 MET A 1 43.897 -28.650 -20.408 1.00 0.00 H new ATOM 0 HE3 MET A 1 45.275 -28.139 -21.413 1.00 0.00 H new ATOM 17 N LYS A 2 41.714 -24.232 -20.561 1.00 0.00 N ATOM 18 CA LYS A 2 40.295 -24.562 -20.616 1.00 0.00 C ATOM 19 C LYS A 2 39.912 -25.566 -19.533 1.00 0.00 C ATOM 20 O LYS A 2 40.324 -26.728 -19.568 1.00 0.00 O ATOM 21 CB LYS A 2 39.937 -25.136 -21.984 1.00 0.00 C ATOM 22 CG LYS A 2 40.154 -24.167 -23.127 1.00 0.00 C ATOM 23 CD LYS A 2 39.892 -24.831 -24.465 1.00 0.00 C ATOM 24 CE LYS A 2 38.447 -25.280 -24.599 1.00 0.00 C ATOM 25 NZ LYS A 2 38.208 -26.011 -25.873 1.00 0.00 N ATOM 0 H LYS A 2 42.243 -24.517 -21.385 1.00 0.00 H new ATOM 0 HA LYS A 2 39.739 -23.640 -20.446 1.00 0.00 H new ATOM 0 HB2 LYS A 2 40.534 -26.031 -22.160 1.00 0.00 H new ATOM 0 HB3 LYS A 2 38.892 -25.446 -21.976 1.00 0.00 H new ATOM 0 HG2 LYS A 2 39.494 -23.307 -23.009 1.00 0.00 H new ATOM 0 HG3 LYS A 2 41.176 -23.790 -23.099 1.00 0.00 H new ATOM 0 HD2 LYS A 2 40.132 -24.136 -25.269 1.00 0.00 H new ATOM 0 HD3 LYS A 2 40.552 -25.691 -24.579 1.00 0.00 H new ATOM 0 HE2 LYS A 2 38.187 -25.923 -23.758 1.00 0.00 H new ATOM 0 HE3 LYS A 2 37.791 -24.411 -24.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 37.210 -26.300 -25.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 38.431 -25.390 -26.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 38.815 -26.855 -25.908 1.00 0.00 H new ATOM 39 N THR A 3 39.131 -25.104 -18.571 1.00 0.00 N ATOM 40 CA THR A 3 38.607 -25.957 -17.521 1.00 0.00 C ATOM 41 C THR A 3 37.452 -25.251 -16.817 1.00 0.00 C ATOM 42 O THR A 3 37.481 -24.031 -16.621 1.00 0.00 O ATOM 43 CB THR A 3 39.702 -26.349 -16.498 1.00 0.00 C ATOM 44 OG1 THR A 3 39.176 -27.274 -15.535 1.00 0.00 O ATOM 45 CG2 THR A 3 40.257 -25.128 -15.778 1.00 0.00 C ATOM 0 H THR A 3 38.843 -24.128 -18.497 1.00 0.00 H new ATOM 0 HA THR A 3 38.248 -26.878 -17.981 1.00 0.00 H new ATOM 0 HB THR A 3 40.514 -26.820 -17.052 1.00 0.00 H new ATOM 0 HG1 THR A 3 39.878 -27.515 -14.895 1.00 0.00 H new ATOM 0 HG21 THR A 3 41.023 -25.441 -15.068 1.00 0.00 H new ATOM 0 HG22 THR A 3 40.694 -24.444 -16.505 1.00 0.00 H new ATOM 0 HG23 THR A 3 39.452 -24.623 -15.244 1.00 0.00 H new ATOM 53 N GLY A 4 36.425 -26.012 -16.475 1.00 0.00 N ATOM 54 CA GLY A 4 35.263 -25.444 -15.831 1.00 0.00 C ATOM 55 C GLY A 4 34.430 -26.499 -15.141 1.00 0.00 C ATOM 56 O GLY A 4 33.728 -27.276 -15.794 1.00 0.00 O ATOM 0 H GLY A 4 36.377 -27.018 -16.633 1.00 0.00 H new ATOM 0 HA2 GLY A 4 35.580 -24.698 -15.103 1.00 0.00 H new ATOM 0 HA3 GLY A 4 34.653 -24.927 -16.572 1.00 0.00 H new ATOM 60 N TYR A 5 34.514 -26.537 -13.823 1.00 0.00 N ATOM 61 CA TYR A 5 33.759 -27.505 -13.044 1.00 0.00 C ATOM 62 C TYR A 5 32.730 -26.791 -12.176 1.00 0.00 C ATOM 63 O TYR A 5 32.920 -25.633 -11.790 1.00 0.00 O ATOM 64 CB TYR A 5 34.692 -28.368 -12.180 1.00 0.00 C ATOM 65 CG TYR A 5 35.351 -27.635 -11.029 1.00 0.00 C ATOM 66 CD1 TYR A 5 36.436 -26.796 -11.240 1.00 0.00 C ATOM 67 CD2 TYR A 5 34.888 -27.793 -9.728 1.00 0.00 C ATOM 68 CE1 TYR A 5 37.042 -26.137 -10.188 1.00 0.00 C ATOM 69 CE2 TYR A 5 35.488 -27.137 -8.673 1.00 0.00 C ATOM 70 CZ TYR A 5 36.564 -26.309 -8.908 1.00 0.00 C ATOM 71 OH TYR A 5 37.167 -25.650 -7.861 1.00 0.00 O ATOM 0 H TYR A 5 35.097 -25.910 -13.269 1.00 0.00 H new ATOM 0 HA TYR A 5 33.237 -28.168 -13.734 1.00 0.00 H new ATOM 0 HB2 TYR A 5 34.121 -29.206 -11.780 1.00 0.00 H new ATOM 0 HB3 TYR A 5 35.470 -28.788 -12.818 1.00 0.00 H new ATOM 0 HD1 TYR A 5 36.813 -26.656 -12.242 1.00 0.00 H new ATOM 0 HD2 TYR A 5 34.044 -28.440 -9.540 1.00 0.00 H new ATOM 0 HE1 TYR A 5 37.887 -25.489 -10.369 1.00 0.00 H new ATOM 0 HE2 TYR A 5 35.116 -27.272 -7.668 1.00 0.00 H new ATOM 0 HH TYR A 5 36.710 -25.877 -7.025 1.00 0.00 H new ATOM 81 N LYS A 6 31.644 -27.481 -11.873 1.00 0.00 N ATOM 82 CA LYS A 6 30.565 -26.899 -11.093 1.00 0.00 C ATOM 83 C LYS A 6 29.812 -27.975 -10.325 1.00 0.00 C ATOM 84 O LYS A 6 29.092 -28.789 -10.905 1.00 0.00 O ATOM 85 CB LYS A 6 29.614 -26.102 -11.998 1.00 0.00 C ATOM 86 CG LYS A 6 29.188 -26.834 -13.265 1.00 0.00 C ATOM 87 CD LYS A 6 28.258 -25.981 -14.112 1.00 0.00 C ATOM 88 CE LYS A 6 28.919 -24.672 -14.524 1.00 0.00 C ATOM 89 NZ LYS A 6 27.963 -23.746 -15.185 1.00 0.00 N ATOM 0 H LYS A 6 31.486 -28.448 -12.156 1.00 0.00 H new ATOM 0 HA LYS A 6 30.999 -26.211 -10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 6 28.723 -25.841 -11.427 1.00 0.00 H new ATOM 0 HB3 LYS A 6 30.098 -25.167 -12.279 1.00 0.00 H new ATOM 0 HG2 LYS A 6 30.070 -27.101 -13.847 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.688 -27.765 -12.998 1.00 0.00 H new ATOM 0 HD2 LYS A 6 27.963 -26.537 -15.002 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.347 -25.769 -13.552 1.00 0.00 H new ATOM 0 HE2 LYS A 6 29.342 -24.188 -13.644 1.00 0.00 H new ATOM 0 HE3 LYS A 6 29.747 -24.882 -15.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.455 -22.869 -15.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.578 -24.197 -16.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.186 -23.524 -14.530 1.00 0.00 H new ATOM 103 N VAL A 7 30.003 -27.988 -9.016 1.00 0.00 N ATOM 104 CA VAL A 7 29.320 -28.937 -8.159 1.00 0.00 C ATOM 105 C VAL A 7 28.763 -28.237 -6.915 1.00 0.00 C ATOM 106 O VAL A 7 29.419 -28.137 -5.877 1.00 0.00 O ATOM 107 CB VAL A 7 30.245 -30.127 -7.780 1.00 0.00 C ATOM 108 CG1 VAL A 7 31.563 -29.645 -7.182 1.00 0.00 C ATOM 109 CG2 VAL A 7 29.539 -31.091 -6.833 1.00 0.00 C ATOM 0 H VAL A 7 30.628 -27.349 -8.525 1.00 0.00 H new ATOM 0 HA VAL A 7 28.479 -29.351 -8.715 1.00 0.00 H new ATOM 0 HB VAL A 7 30.477 -30.664 -8.700 1.00 0.00 H new ATOM 0 HG11 VAL A 7 32.184 -30.505 -6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 7 32.085 -29.021 -7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 7 31.363 -29.064 -6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 7 30.210 -31.914 -6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 7 29.257 -30.564 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 7 28.644 -31.485 -7.315 1.00 0.00 H new ATOM 119 N MET A 8 27.565 -27.691 -7.058 1.00 0.00 N ATOM 120 CA MET A 8 26.863 -27.061 -5.946 1.00 0.00 C ATOM 121 C MET A 8 25.399 -27.477 -5.954 1.00 0.00 C ATOM 122 O MET A 8 24.552 -26.799 -6.537 1.00 0.00 O ATOM 123 CB MET A 8 26.977 -25.532 -6.015 1.00 0.00 C ATOM 124 CG MET A 8 28.378 -25.009 -5.746 1.00 0.00 C ATOM 125 SD MET A 8 28.488 -23.210 -5.831 1.00 0.00 S ATOM 126 CE MET A 8 27.316 -22.731 -4.562 1.00 0.00 C ATOM 0 H MET A 8 27.054 -27.671 -7.940 1.00 0.00 H new ATOM 0 HA MET A 8 27.327 -27.393 -5.017 1.00 0.00 H new ATOM 0 HB2 MET A 8 26.658 -25.197 -7.002 1.00 0.00 H new ATOM 0 HB3 MET A 8 26.290 -25.093 -5.292 1.00 0.00 H new ATOM 0 HG2 MET A 8 28.700 -25.341 -4.759 1.00 0.00 H new ATOM 0 HG3 MET A 8 29.067 -25.444 -6.470 1.00 0.00 H new ATOM 0 HE1 MET A 8 27.520 -21.708 -4.246 1.00 0.00 H new ATOM 0 HE2 MET A 8 26.303 -22.793 -4.960 1.00 0.00 H new ATOM 0 HE3 MET A 8 27.411 -23.400 -3.707 1.00 0.00 H new ATOM 136 N LEU A 9 25.112 -28.608 -5.330 1.00 0.00 N ATOM 137 CA LEU A 9 23.760 -29.146 -5.301 1.00 0.00 C ATOM 138 C LEU A 9 23.435 -29.696 -3.916 1.00 0.00 C ATOM 139 O LEU A 9 24.233 -29.567 -2.986 1.00 0.00 O ATOM 140 CB LEU A 9 23.579 -30.244 -6.364 1.00 0.00 C ATOM 141 CG LEU A 9 24.412 -31.522 -6.169 1.00 0.00 C ATOM 142 CD1 LEU A 9 23.802 -32.672 -6.956 1.00 0.00 C ATOM 143 CD2 LEU A 9 25.856 -31.307 -6.604 1.00 0.00 C ATOM 0 H LEU A 9 25.800 -29.174 -4.834 1.00 0.00 H new ATOM 0 HA LEU A 9 23.070 -28.334 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 9 22.526 -30.523 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 9 23.823 -29.821 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 9 24.406 -31.769 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 9 24.401 -33.571 -6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 9 22.785 -32.853 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 9 23.782 -32.418 -8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 9 26.422 -32.227 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 9 25.881 -31.032 -7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 9 26.300 -30.508 -6.010 1.00 0.00 H new ATOM 155 N GLY A 10 22.268 -30.310 -3.784 1.00 0.00 N ATOM 156 CA GLY A 10 21.848 -30.845 -2.505 1.00 0.00 C ATOM 157 C GLY A 10 20.818 -29.969 -1.828 1.00 0.00 C ATOM 158 O GLY A 10 20.453 -30.195 -0.673 1.00 0.00 O ATOM 0 H GLY A 10 21.602 -30.448 -4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.435 -31.843 -2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 10 22.716 -30.950 -1.855 1.00 0.00 H new ATOM 162 N ALA A 11 20.344 -28.963 -2.546 1.00 0.00 N ATOM 163 CA ALA A 11 19.346 -28.055 -2.011 1.00 0.00 C ATOM 164 C ALA A 11 18.047 -28.169 -2.793 1.00 0.00 C ATOM 165 O ALA A 11 17.964 -27.753 -3.949 1.00 0.00 O ATOM 166 CB ALA A 11 19.862 -26.626 -2.036 1.00 0.00 C ATOM 0 H ALA A 11 20.636 -28.756 -3.501 1.00 0.00 H new ATOM 0 HA ALA A 11 19.147 -28.331 -0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 11 19.102 -25.958 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 11 20.766 -26.555 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.088 -26.339 -3.063 1.00 0.00 H new ATOM 172 N LEU A 12 17.038 -28.751 -2.165 1.00 0.00 N ATOM 173 CA LEU A 12 15.738 -28.919 -2.800 1.00 0.00 C ATOM 174 C LEU A 12 14.686 -28.121 -2.048 1.00 0.00 C ATOM 175 O LEU A 12 14.523 -28.283 -0.835 1.00 0.00 O ATOM 176 CB LEU A 12 15.324 -30.401 -2.850 1.00 0.00 C ATOM 177 CG LEU A 12 16.140 -31.303 -3.788 1.00 0.00 C ATOM 178 CD1 LEU A 12 17.508 -31.626 -3.203 1.00 0.00 C ATOM 179 CD2 LEU A 12 15.372 -32.582 -4.086 1.00 0.00 C ATOM 0 H LEU A 12 17.093 -29.116 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 12 15.816 -28.552 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.389 -30.809 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.277 -30.454 -3.149 1.00 0.00 H new ATOM 0 HG LEU A 12 16.300 -30.760 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.057 -32.266 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.064 -30.702 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 12 17.384 -32.142 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.961 -33.213 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 12 15.180 -33.116 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 12 14.424 -32.334 -4.565 1.00 0.00 H new ATOM 191 N ALA A 13 13.977 -27.255 -2.759 1.00 0.00 N ATOM 192 CA ALA A 13 12.925 -26.458 -2.148 1.00 0.00 C ATOM 193 C ALA A 13 11.616 -27.238 -2.127 1.00 0.00 C ATOM 194 O ALA A 13 10.829 -27.182 -3.072 1.00 0.00 O ATOM 195 CB ALA A 13 12.749 -25.135 -2.876 1.00 0.00 C ATOM 0 H ALA A 13 14.111 -27.088 -3.756 1.00 0.00 H new ATOM 0 HA ALA A 13 13.217 -26.238 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.956 -24.559 -2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.681 -24.571 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.483 -25.325 -3.916 1.00 0.00 H new ATOM 201 N PHE A 14 11.411 -27.987 -1.056 1.00 0.00 N ATOM 202 CA PHE A 14 10.221 -28.815 -0.915 1.00 0.00 C ATOM 203 C PHE A 14 9.091 -28.012 -0.280 1.00 0.00 C ATOM 204 O PHE A 14 7.921 -28.386 -0.356 1.00 0.00 O ATOM 205 CB PHE A 14 10.548 -30.050 -0.065 1.00 0.00 C ATOM 206 CG PHE A 14 9.444 -31.069 -0.011 1.00 0.00 C ATOM 207 CD1 PHE A 14 9.245 -31.948 -1.062 1.00 0.00 C ATOM 208 CD2 PHE A 14 8.606 -31.150 1.091 1.00 0.00 C ATOM 209 CE1 PHE A 14 8.233 -32.890 -1.015 1.00 0.00 C ATOM 210 CE2 PHE A 14 7.594 -32.088 1.143 1.00 0.00 C ATOM 211 CZ PHE A 14 7.405 -32.957 0.088 1.00 0.00 C ATOM 0 H PHE A 14 12.056 -28.040 -0.267 1.00 0.00 H new ATOM 0 HA PHE A 14 9.895 -29.143 -1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.446 -30.524 -0.462 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.780 -29.728 0.950 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.887 -31.898 -1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.747 -30.471 1.919 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.091 -33.572 -1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.951 -32.141 2.009 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.611 -33.688 0.125 1.00 0.00 H new ATOM 221 N VAL A 15 9.450 -26.890 0.329 1.00 0.00 N ATOM 222 CA VAL A 15 8.486 -26.065 1.035 1.00 0.00 C ATOM 223 C VAL A 15 8.547 -24.614 0.558 1.00 0.00 C ATOM 224 O VAL A 15 9.621 -24.086 0.265 1.00 0.00 O ATOM 225 CB VAL A 15 8.718 -26.132 2.563 1.00 0.00 C ATOM 226 CG1 VAL A 15 10.109 -25.637 2.930 1.00 0.00 C ATOM 227 CG2 VAL A 15 7.653 -25.344 3.311 1.00 0.00 C ATOM 0 H VAL A 15 10.405 -26.532 0.347 1.00 0.00 H new ATOM 0 HA VAL A 15 7.493 -26.458 0.815 1.00 0.00 H new ATOM 0 HB VAL A 15 8.642 -27.177 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.243 -25.696 4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.858 -26.257 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.224 -24.603 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.839 -25.407 4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.686 -24.300 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.670 -25.759 3.088 1.00 0.00 H new ATOM 237 N VAL A 16 7.383 -23.989 0.458 1.00 0.00 N ATOM 238 CA VAL A 16 7.286 -22.585 0.092 1.00 0.00 C ATOM 239 C VAL A 16 6.399 -21.863 1.104 1.00 0.00 C ATOM 240 O VAL A 16 5.428 -22.435 1.599 1.00 0.00 O ATOM 241 CB VAL A 16 6.723 -22.411 -1.343 1.00 0.00 C ATOM 242 CG1 VAL A 16 5.322 -22.994 -1.462 1.00 0.00 C ATOM 243 CG2 VAL A 16 6.729 -20.948 -1.761 1.00 0.00 C ATOM 0 H VAL A 16 6.483 -24.439 0.628 1.00 0.00 H new ATOM 0 HA VAL A 16 8.286 -22.151 0.104 1.00 0.00 H new ATOM 0 HB VAL A 16 7.377 -22.962 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.956 -22.856 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.350 -24.058 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.656 -22.486 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.329 -20.856 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.112 -20.370 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.750 -20.568 -1.739 1.00 0.00 H new ATOM 253 N THR A 17 6.745 -20.626 1.437 1.00 0.00 N ATOM 254 CA THR A 17 6.001 -19.880 2.441 1.00 0.00 C ATOM 255 C THR A 17 5.246 -18.710 1.807 1.00 0.00 C ATOM 256 O THR A 17 5.822 -17.895 1.081 1.00 0.00 O ATOM 257 CB THR A 17 6.932 -19.384 3.578 1.00 0.00 C ATOM 258 OG1 THR A 17 6.175 -18.715 4.595 1.00 0.00 O ATOM 259 CG2 THR A 17 8.018 -18.455 3.047 1.00 0.00 C ATOM 0 H THR A 17 7.532 -20.121 1.029 1.00 0.00 H new ATOM 0 HA THR A 17 5.269 -20.557 2.881 1.00 0.00 H new ATOM 0 HB THR A 17 7.414 -20.261 4.009 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.778 -18.411 5.305 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.651 -18.127 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.624 -18.986 2.313 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.556 -17.587 2.577 1.00 0.00 H new ATOM 267 N ASN A 18 3.944 -18.662 2.052 1.00 0.00 N ATOM 268 CA ASN A 18 3.104 -17.585 1.548 1.00 0.00 C ATOM 269 C ASN A 18 3.122 -16.394 2.496 1.00 0.00 C ATOM 270 O ASN A 18 2.717 -16.503 3.655 1.00 0.00 O ATOM 271 CB ASN A 18 1.658 -18.062 1.362 1.00 0.00 C ATOM 272 CG ASN A 18 1.457 -18.923 0.127 1.00 0.00 C ATOM 273 OD1 ASN A 18 2.342 -19.680 -0.281 1.00 0.00 O ATOM 274 ND2 ASN A 18 0.279 -18.821 -0.470 1.00 0.00 N ATOM 0 H ASN A 18 3.444 -19.362 2.601 1.00 0.00 H new ATOM 0 HA ASN A 18 3.507 -17.279 0.582 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.355 -18.628 2.243 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.003 -17.193 1.300 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.077 -19.380 -1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.426 -18.183 -0.101 1.00 0.00 H new ATOM 281 N VAL A 19 3.596 -15.258 2.007 1.00 0.00 N ATOM 282 CA VAL A 19 3.621 -14.045 2.805 1.00 0.00 C ATOM 283 C VAL A 19 3.399 -12.808 1.934 1.00 0.00 C ATOM 284 O VAL A 19 4.157 -12.540 1.002 1.00 0.00 O ATOM 285 CB VAL A 19 4.940 -13.917 3.612 1.00 0.00 C ATOM 286 CG1 VAL A 19 6.160 -14.012 2.708 1.00 0.00 C ATOM 287 CG2 VAL A 19 4.961 -12.620 4.408 1.00 0.00 C ATOM 0 H VAL A 19 3.968 -15.152 1.063 1.00 0.00 H new ATOM 0 HA VAL A 19 2.801 -14.112 3.520 1.00 0.00 H new ATOM 0 HB VAL A 19 4.981 -14.753 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.065 -13.918 3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.161 -14.975 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.129 -13.211 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.895 -12.551 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.882 -11.773 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.121 -12.606 5.103 1.00 0.00 H new ATOM 297 N TYR A 20 2.325 -12.089 2.231 1.00 0.00 N ATOM 298 CA TYR A 20 2.000 -10.844 1.551 1.00 0.00 C ATOM 299 C TYR A 20 1.796 -9.752 2.591 1.00 0.00 C ATOM 300 O TYR A 20 1.244 -10.023 3.657 1.00 0.00 O ATOM 301 CB TYR A 20 0.724 -10.998 0.714 1.00 0.00 C ATOM 302 CG TYR A 20 0.857 -11.919 -0.481 1.00 0.00 C ATOM 303 CD1 TYR A 20 0.763 -13.298 -0.340 1.00 0.00 C ATOM 304 CD2 TYR A 20 1.065 -11.405 -1.753 1.00 0.00 C ATOM 305 CE1 TYR A 20 0.871 -14.137 -1.435 1.00 0.00 C ATOM 306 CE2 TYR A 20 1.174 -12.234 -2.853 1.00 0.00 C ATOM 307 CZ TYR A 20 1.080 -13.599 -2.689 1.00 0.00 C ATOM 308 OH TYR A 20 1.185 -14.429 -3.785 1.00 0.00 O ATOM 0 H TYR A 20 1.654 -12.354 2.952 1.00 0.00 H new ATOM 0 HA TYR A 20 2.820 -10.581 0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.073 -11.372 1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.415 -10.013 0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.603 -13.722 0.640 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.143 -10.336 -1.886 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.792 -15.207 -1.309 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.332 -11.815 -3.836 1.00 0.00 H new ATOM 0 HH TYR A 20 1.330 -13.890 -4.591 1.00 0.00 H new ATOM 318 N ALA A 21 2.230 -8.533 2.292 1.00 0.00 N ATOM 319 CA ALA A 21 2.133 -7.439 3.252 1.00 0.00 C ATOM 320 C ALA A 21 2.364 -6.090 2.581 1.00 0.00 C ATOM 321 O ALA A 21 1.455 -5.260 2.516 1.00 0.00 O ATOM 322 CB ALA A 21 3.129 -7.636 4.391 1.00 0.00 C ATOM 0 H ALA A 21 2.650 -8.278 1.398 1.00 0.00 H new ATOM 0 HA ALA A 21 1.122 -7.446 3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.042 -6.810 5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.916 -8.575 4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.141 -7.664 3.988 1.00 0.00 H new ATOM 328 N ALA A 22 3.588 -5.894 2.087 1.00 0.00 N ATOM 329 CA ALA A 22 4.008 -4.632 1.477 1.00 0.00 C ATOM 330 C ALA A 22 3.869 -3.464 2.456 1.00 0.00 C ATOM 331 O ALA A 22 2.821 -2.821 2.541 1.00 0.00 O ATOM 332 CB ALA A 22 3.235 -4.359 0.192 1.00 0.00 C ATOM 0 H ALA A 22 4.317 -6.607 2.099 1.00 0.00 H new ATOM 0 HA ALA A 22 5.064 -4.727 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.568 -3.415 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.414 -5.166 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.169 -4.301 0.414 1.00 0.00 H new ATOM 338 N GLU A 23 4.933 -3.204 3.209 1.00 0.00 N ATOM 339 CA GLU A 23 4.914 -2.160 4.226 1.00 0.00 C ATOM 340 C GLU A 23 6.120 -1.225 4.063 1.00 0.00 C ATOM 341 O GLU A 23 7.095 -1.570 3.396 1.00 0.00 O ATOM 342 CB GLU A 23 4.900 -2.805 5.618 1.00 0.00 C ATOM 343 CG GLU A 23 4.625 -1.836 6.758 1.00 0.00 C ATOM 344 CD GLU A 23 4.429 -2.539 8.086 1.00 0.00 C ATOM 345 OE1 GLU A 23 5.426 -2.774 8.798 1.00 0.00 O ATOM 346 OE2 GLU A 23 3.272 -2.865 8.422 1.00 0.00 O ATOM 0 H GLU A 23 5.820 -3.703 3.134 1.00 0.00 H new ATOM 0 HA GLU A 23 4.013 -1.558 4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.143 -3.589 5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.862 -3.287 5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.455 -1.134 6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.735 -1.251 6.526 1.00 0.00 H new ATOM 353 N ILE A 24 6.036 -0.042 4.662 1.00 0.00 N ATOM 354 CA ILE A 24 7.101 0.954 4.573 1.00 0.00 C ATOM 355 C ILE A 24 8.187 0.670 5.614 1.00 0.00 C ATOM 356 O ILE A 24 7.883 0.245 6.731 1.00 0.00 O ATOM 357 CB ILE A 24 6.545 2.381 4.807 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.459 2.715 3.781 1.00 0.00 C ATOM 359 CG2 ILE A 24 7.659 3.421 4.758 1.00 0.00 C ATOM 360 CD1 ILE A 24 5.961 2.798 2.357 1.00 0.00 C ATOM 0 H ILE A 24 5.234 0.253 5.219 1.00 0.00 H new ATOM 0 HA ILE A 24 7.526 0.894 3.571 1.00 0.00 H new ATOM 0 HB ILE A 24 6.102 2.405 5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.677 1.958 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.001 3.667 4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.239 4.413 4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.394 3.203 5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.141 3.392 3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.131 3.038 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.721 3.576 2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.393 1.840 2.067 1.00 0.00 H new ATOM 372 N MET A 25 9.443 0.909 5.253 1.00 0.00 N ATOM 373 CA MET A 25 10.550 0.712 6.180 1.00 0.00 C ATOM 374 C MET A 25 11.341 2.005 6.343 1.00 0.00 C ATOM 375 O MET A 25 11.597 2.709 5.365 1.00 0.00 O ATOM 376 CB MET A 25 11.491 -0.388 5.682 1.00 0.00 C ATOM 377 CG MET A 25 12.247 -1.097 6.793 1.00 0.00 C ATOM 378 SD MET A 25 11.143 -1.986 7.913 1.00 0.00 S ATOM 379 CE MET A 25 12.322 -2.803 8.984 1.00 0.00 C ATOM 0 H MET A 25 9.719 1.238 4.328 1.00 0.00 H new ATOM 0 HA MET A 25 10.130 0.414 7.141 1.00 0.00 H new ATOM 0 HB2 MET A 25 10.912 -1.123 5.123 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.209 0.048 4.987 1.00 0.00 H new ATOM 0 HG2 MET A 25 12.959 -1.797 6.356 1.00 0.00 H new ATOM 0 HG3 MET A 25 12.825 -0.367 7.360 1.00 0.00 H new ATOM 0 HE1 MET A 25 12.004 -3.831 9.157 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.304 -2.801 8.512 1.00 0.00 H new ATOM 0 HE3 MET A 25 12.376 -2.275 9.936 1.00 0.00 H new ATOM 389 N LYS A 26 11.705 2.321 7.580 1.00 0.00 N ATOM 390 CA LYS A 26 12.585 3.448 7.871 1.00 0.00 C ATOM 391 C LYS A 26 13.915 3.265 7.146 1.00 0.00 C ATOM 392 O LYS A 26 14.366 2.141 6.983 1.00 0.00 O ATOM 393 CB LYS A 26 12.828 3.518 9.375 1.00 0.00 C ATOM 394 CG LYS A 26 11.550 3.504 10.199 1.00 0.00 C ATOM 395 CD LYS A 26 11.843 3.209 11.657 1.00 0.00 C ATOM 396 CE LYS A 26 10.571 2.942 12.445 1.00 0.00 C ATOM 397 NZ LYS A 26 10.863 2.525 13.844 1.00 0.00 N ATOM 0 H LYS A 26 11.401 1.807 8.407 1.00 0.00 H new ATOM 0 HA LYS A 26 12.118 4.372 7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.452 2.676 9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.387 4.426 9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.048 4.468 10.114 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.867 2.753 9.803 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.503 2.344 11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.374 4.052 12.099 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.955 3.841 12.455 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.992 2.164 11.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.970 2.352 14.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.430 1.653 13.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.393 3.278 14.327 1.00 0.00 H new ATOM 411 N LYS A 27 14.550 4.358 6.730 1.00 0.00 N ATOM 412 CA LYS A 27 15.787 4.275 5.948 1.00 0.00 C ATOM 413 C LYS A 27 16.859 3.443 6.649 1.00 0.00 C ATOM 414 O LYS A 27 17.500 2.593 6.027 1.00 0.00 O ATOM 415 CB LYS A 27 16.350 5.665 5.646 1.00 0.00 C ATOM 416 CG LYS A 27 15.692 6.365 4.468 1.00 0.00 C ATOM 417 CD LYS A 27 14.320 6.914 4.816 1.00 0.00 C ATOM 418 CE LYS A 27 13.741 7.740 3.674 1.00 0.00 C ATOM 419 NZ LYS A 27 14.664 8.828 3.238 1.00 0.00 N ATOM 0 H LYS A 27 14.233 5.309 6.919 1.00 0.00 H new ATOM 0 HA LYS A 27 15.521 3.781 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.239 6.289 6.533 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.419 5.576 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.332 7.180 4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.601 5.665 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.646 6.090 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.391 7.530 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.528 7.087 2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.792 8.175 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.132 9.537 2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.088 9.279 4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.416 8.427 2.642 1.00 0.00 H new ATOM 433 N THR A 28 17.045 3.685 7.938 1.00 0.00 N ATOM 434 CA THR A 28 18.070 2.993 8.706 1.00 0.00 C ATOM 435 C THR A 28 17.749 1.503 8.838 1.00 0.00 C ATOM 436 O THR A 28 18.641 0.655 8.771 1.00 0.00 O ATOM 437 CB THR A 28 18.224 3.627 10.100 1.00 0.00 C ATOM 438 OG1 THR A 28 18.243 5.056 9.979 1.00 0.00 O ATOM 439 CG2 THR A 28 19.507 3.164 10.772 1.00 0.00 C ATOM 0 H THR A 28 16.498 4.357 8.476 1.00 0.00 H new ATOM 0 HA THR A 28 19.013 3.093 8.168 1.00 0.00 H new ATOM 0 HB THR A 28 17.378 3.314 10.712 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.339 5.458 10.867 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.590 3.627 11.755 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.489 2.080 10.882 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.362 3.453 10.161 1.00 0.00 H new ATOM 447 N ASP A 29 16.476 1.184 9.018 1.00 0.00 N ATOM 448 CA ASP A 29 16.039 -0.206 9.084 1.00 0.00 C ATOM 449 C ASP A 29 16.082 -0.834 7.704 1.00 0.00 C ATOM 450 O ASP A 29 16.501 -1.973 7.555 1.00 0.00 O ATOM 451 CB ASP A 29 14.620 -0.301 9.658 1.00 0.00 C ATOM 452 CG ASP A 29 14.546 0.055 11.130 1.00 0.00 C ATOM 453 OD1 ASP A 29 14.668 1.251 11.468 1.00 0.00 O ATOM 454 OD2 ASP A 29 14.352 -0.860 11.958 1.00 0.00 O ATOM 0 H ASP A 29 15.726 1.868 9.121 1.00 0.00 H new ATOM 0 HA ASP A 29 16.717 -0.748 9.743 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.963 0.363 9.097 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.245 -1.315 9.517 1.00 0.00 H new ATOM 459 N PHE A 30 15.658 -0.078 6.701 1.00 0.00 N ATOM 460 CA PHE A 30 15.686 -0.525 5.317 1.00 0.00 C ATOM 461 C PHE A 30 17.087 -0.957 4.900 1.00 0.00 C ATOM 462 O PHE A 30 17.263 -2.032 4.335 1.00 0.00 O ATOM 463 CB PHE A 30 15.177 0.582 4.389 1.00 0.00 C ATOM 464 CG PHE A 30 15.451 0.318 2.937 1.00 0.00 C ATOM 465 CD1 PHE A 30 14.786 -0.691 2.264 1.00 0.00 C ATOM 466 CD2 PHE A 30 16.383 1.080 2.250 1.00 0.00 C ATOM 467 CE1 PHE A 30 15.046 -0.936 0.931 1.00 0.00 C ATOM 468 CE2 PHE A 30 16.644 0.840 0.916 1.00 0.00 C ATOM 469 CZ PHE A 30 15.976 -0.169 0.256 1.00 0.00 C ATOM 0 H PHE A 30 15.285 0.863 6.825 1.00 0.00 H new ATOM 0 HA PHE A 30 15.028 -1.390 5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 30 14.103 0.700 4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 30 15.642 1.526 4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.057 -1.292 2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 30 16.911 1.870 2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.522 -1.727 0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 30 17.370 1.442 0.390 1.00 0.00 H new ATOM 0 HZ PHE A 30 16.179 -0.360 -0.787 1.00 0.00 H new ATOM 479 N ASP A 31 18.079 -0.125 5.182 1.00 0.00 N ATOM 480 CA ASP A 31 19.465 -0.445 4.837 1.00 0.00 C ATOM 481 C ASP A 31 19.922 -1.725 5.528 1.00 0.00 C ATOM 482 O ASP A 31 20.706 -2.500 4.978 1.00 0.00 O ATOM 483 CB ASP A 31 20.387 0.721 5.220 1.00 0.00 C ATOM 484 CG ASP A 31 21.856 0.416 4.993 1.00 0.00 C ATOM 485 OD1 ASP A 31 22.321 0.527 3.838 1.00 0.00 O ATOM 486 OD2 ASP A 31 22.559 0.079 5.970 1.00 0.00 O ATOM 0 H ASP A 31 17.955 0.774 5.647 1.00 0.00 H new ATOM 0 HA ASP A 31 19.518 -0.604 3.760 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.111 1.601 4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.231 0.970 6.270 1.00 0.00 H new ATOM 491 N LYS A 32 19.400 -1.953 6.719 1.00 0.00 N ATOM 492 CA LYS A 32 19.776 -3.104 7.518 1.00 0.00 C ATOM 493 C LYS A 32 18.992 -4.347 7.112 1.00 0.00 C ATOM 494 O LYS A 32 19.514 -5.460 7.165 1.00 0.00 O ATOM 495 CB LYS A 32 19.589 -2.773 9.002 1.00 0.00 C ATOM 496 CG LYS A 32 20.869 -2.280 9.654 1.00 0.00 C ATOM 497 CD LYS A 32 21.393 -1.045 8.946 1.00 0.00 C ATOM 498 CE LYS A 32 22.818 -0.716 9.345 1.00 0.00 C ATOM 499 NZ LYS A 32 23.369 0.398 8.530 1.00 0.00 N ATOM 0 H LYS A 32 18.706 -1.348 7.158 1.00 0.00 H new ATOM 0 HA LYS A 32 20.827 -3.332 7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.816 -2.012 9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.236 -3.661 9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.683 -2.052 10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.623 -3.067 9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.346 -1.199 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.748 -0.196 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.848 -0.445 10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.444 -1.600 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.379 0.229 8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 22.859 0.451 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.255 1.294 9.045 1.00 0.00 H new ATOM 513 N VAL A 33 17.754 -4.164 6.679 1.00 0.00 N ATOM 514 CA VAL A 33 16.952 -5.291 6.224 1.00 0.00 C ATOM 515 C VAL A 33 17.233 -5.600 4.762 1.00 0.00 C ATOM 516 O VAL A 33 16.872 -6.663 4.281 1.00 0.00 O ATOM 517 CB VAL A 33 15.433 -5.085 6.429 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.120 -4.875 7.899 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.909 -3.930 5.590 1.00 0.00 C ATOM 0 H VAL A 33 17.287 -3.258 6.633 1.00 0.00 H new ATOM 0 HA VAL A 33 17.248 -6.137 6.845 1.00 0.00 H new ATOM 0 HB VAL A 33 14.924 -5.988 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.047 -4.732 8.026 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.439 -5.749 8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.649 -3.994 8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.838 -3.814 5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.423 -3.012 5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.090 -4.135 4.535 1.00 0.00 H new ATOM 529 N ALA A 34 17.893 -4.676 4.058 1.00 0.00 N ATOM 530 CA ALA A 34 18.296 -4.920 2.674 1.00 0.00 C ATOM 531 C ALA A 34 19.195 -6.147 2.596 1.00 0.00 C ATOM 532 O ALA A 34 19.242 -6.841 1.581 1.00 0.00 O ATOM 533 CB ALA A 34 19.007 -3.703 2.096 1.00 0.00 C ATOM 0 H ALA A 34 18.157 -3.760 4.421 1.00 0.00 H new ATOM 0 HA ALA A 34 17.399 -5.104 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.298 -3.907 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.336 -2.844 2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.896 -3.486 2.688 1.00 0.00 H new ATOM 539 N SER A 35 19.886 -6.412 3.694 1.00 0.00 N ATOM 540 CA SER A 35 20.728 -7.588 3.824 1.00 0.00 C ATOM 541 C SER A 35 19.874 -8.862 3.811 1.00 0.00 C ATOM 542 O SER A 35 20.249 -9.876 3.224 1.00 0.00 O ATOM 543 CB SER A 35 21.534 -7.472 5.130 1.00 0.00 C ATOM 544 OG SER A 35 22.334 -8.618 5.368 1.00 0.00 O ATOM 0 H SER A 35 19.878 -5.815 4.521 1.00 0.00 H new ATOM 0 HA SER A 35 21.416 -7.649 2.981 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.171 -6.589 5.085 1.00 0.00 H new ATOM 0 HB3 SER A 35 20.850 -7.329 5.966 1.00 0.00 H new ATOM 0 HG SER A 35 22.830 -8.503 6.205 1.00 0.00 H new ATOM 550 N GLU A 36 18.710 -8.782 4.438 1.00 0.00 N ATOM 551 CA GLU A 36 17.816 -9.924 4.574 1.00 0.00 C ATOM 552 C GLU A 36 16.655 -9.844 3.579 1.00 0.00 C ATOM 553 O GLU A 36 15.639 -10.525 3.739 1.00 0.00 O ATOM 554 CB GLU A 36 17.282 -9.959 6.005 1.00 0.00 C ATOM 555 CG GLU A 36 18.362 -9.692 7.035 1.00 0.00 C ATOM 556 CD GLU A 36 17.876 -9.814 8.464 1.00 0.00 C ATOM 557 OE1 GLU A 36 17.027 -10.681 8.747 1.00 0.00 O ATOM 558 OE2 GLU A 36 18.346 -9.027 9.317 1.00 0.00 O ATOM 0 H GLU A 36 18.358 -7.926 4.866 1.00 0.00 H new ATOM 0 HA GLU A 36 18.371 -10.837 4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.491 -9.217 6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.833 -10.933 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.184 -10.391 6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.762 -8.690 6.880 1.00 0.00 H new ATOM 565 N TYR A 37 16.815 -9.035 2.537 1.00 0.00 N ATOM 566 CA TYR A 37 15.755 -8.839 1.551 1.00 0.00 C ATOM 567 C TYR A 37 16.287 -8.953 0.124 1.00 0.00 C ATOM 568 O TYR A 37 17.494 -8.965 -0.107 1.00 0.00 O ATOM 569 CB TYR A 37 15.053 -7.492 1.768 1.00 0.00 C ATOM 570 CG TYR A 37 13.921 -7.556 2.775 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.169 -7.688 4.136 1.00 0.00 C ATOM 572 CD2 TYR A 37 12.601 -7.492 2.357 1.00 0.00 C ATOM 573 CE1 TYR A 37 13.137 -7.757 5.048 1.00 0.00 C ATOM 574 CE2 TYR A 37 11.563 -7.559 3.263 1.00 0.00 C ATOM 575 CZ TYR A 37 11.836 -7.692 4.605 1.00 0.00 C ATOM 576 OH TYR A 37 10.804 -7.762 5.511 1.00 0.00 O ATOM 0 H TYR A 37 17.667 -8.505 2.352 1.00 0.00 H new ATOM 0 HA TYR A 37 15.023 -9.634 1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.786 -6.759 2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.661 -7.138 0.815 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.189 -7.737 4.486 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.382 -7.388 1.305 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.348 -7.861 6.102 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.540 -7.507 2.920 1.00 0.00 H new ATOM 0 HH TYR A 37 9.948 -7.701 5.037 1.00 0.00 H new ATOM 586 N THR A 38 15.367 -9.046 -0.822 1.00 0.00 N ATOM 587 CA THR A 38 15.686 -9.315 -2.212 1.00 0.00 C ATOM 588 C THR A 38 14.987 -8.300 -3.121 1.00 0.00 C ATOM 589 O THR A 38 13.938 -7.761 -2.769 1.00 0.00 O ATOM 590 CB THR A 38 15.237 -10.748 -2.582 1.00 0.00 C ATOM 591 OG1 THR A 38 15.860 -11.693 -1.703 1.00 0.00 O ATOM 592 CG2 THR A 38 15.584 -11.096 -4.020 1.00 0.00 C ATOM 0 H THR A 38 14.369 -8.936 -0.644 1.00 0.00 H new ATOM 0 HA THR A 38 16.764 -9.228 -2.351 1.00 0.00 H new ATOM 0 HB THR A 38 14.153 -10.791 -2.475 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.763 -11.386 -1.479 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.252 -12.111 -4.239 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.087 -10.398 -4.693 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.663 -11.029 -4.160 1.00 0.00 H new ATOM 600 N LYS A 39 15.571 -8.045 -4.282 1.00 0.00 N ATOM 601 CA LYS A 39 15.008 -7.102 -5.237 1.00 0.00 C ATOM 602 C LYS A 39 14.121 -7.831 -6.237 1.00 0.00 C ATOM 603 O LYS A 39 14.570 -8.753 -6.919 1.00 0.00 O ATOM 604 CB LYS A 39 16.122 -6.367 -5.990 1.00 0.00 C ATOM 605 CG LYS A 39 15.603 -5.441 -7.082 1.00 0.00 C ATOM 606 CD LYS A 39 15.173 -4.088 -6.536 1.00 0.00 C ATOM 607 CE LYS A 39 16.376 -3.200 -6.257 1.00 0.00 C ATOM 608 NZ LYS A 39 15.973 -1.834 -5.836 1.00 0.00 N ATOM 0 H LYS A 39 16.441 -8.481 -4.587 1.00 0.00 H new ATOM 0 HA LYS A 39 14.412 -6.376 -4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.709 -5.785 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.795 -7.100 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.380 -5.297 -7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.758 -5.913 -7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.513 -3.597 -7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.601 -4.228 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.989 -3.654 -5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.995 -3.136 -7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.728 -1.160 -6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.098 -1.563 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.810 -1.821 -4.809 1.00 0.00 H new ATOM 622 N ILE A 40 12.865 -7.424 -6.321 1.00 0.00 N ATOM 623 CA ILE A 40 11.945 -8.009 -7.287 1.00 0.00 C ATOM 624 C ILE A 40 11.584 -6.999 -8.372 1.00 0.00 C ATOM 625 O ILE A 40 10.863 -7.316 -9.315 1.00 0.00 O ATOM 626 CB ILE A 40 10.663 -8.544 -6.615 1.00 0.00 C ATOM 627 CG1 ILE A 40 10.061 -7.488 -5.682 1.00 0.00 C ATOM 628 CG2 ILE A 40 10.960 -9.836 -5.858 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.808 -7.952 -4.974 1.00 0.00 C ATOM 0 H ILE A 40 12.459 -6.694 -5.735 1.00 0.00 H new ATOM 0 HA ILE A 40 12.459 -8.855 -7.744 1.00 0.00 H new ATOM 0 HB ILE A 40 9.930 -8.764 -7.391 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.806 -7.205 -4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.832 -6.593 -6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.046 -10.201 -5.389 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.336 -10.587 -6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.710 -9.644 -5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.437 -7.154 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.047 -8.207 -5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.036 -8.830 -4.369 1.00 0.00 H new ATOM 641 N GLY A 41 12.093 -5.781 -8.234 1.00 0.00 N ATOM 642 CA GLY A 41 11.892 -4.779 -9.260 1.00 0.00 C ATOM 643 C GLY A 41 11.276 -3.505 -8.721 1.00 0.00 C ATOM 644 O GLY A 41 10.843 -3.454 -7.574 1.00 0.00 O ATOM 0 H GLY A 41 12.640 -5.471 -7.431 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.849 -4.546 -9.726 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.249 -5.187 -10.039 1.00 0.00 H new ATOM 648 N THR A 42 11.250 -2.477 -9.548 1.00 0.00 N ATOM 649 CA THR A 42 10.639 -1.210 -9.184 1.00 0.00 C ATOM 650 C THR A 42 9.299 -1.063 -9.904 1.00 0.00 C ATOM 651 O THR A 42 9.117 -1.611 -10.992 1.00 0.00 O ATOM 652 CB THR A 42 11.557 -0.037 -9.572 1.00 0.00 C ATOM 653 OG1 THR A 42 12.920 -0.358 -9.249 1.00 0.00 O ATOM 654 CG2 THR A 42 11.164 1.247 -8.860 1.00 0.00 C ATOM 0 H THR A 42 11.649 -2.495 -10.486 1.00 0.00 H new ATOM 0 HA THR A 42 10.484 -1.195 -8.105 1.00 0.00 H new ATOM 0 HB THR A 42 11.451 0.123 -10.645 1.00 0.00 H new ATOM 0 HG1 THR A 42 13.063 -0.247 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.836 2.050 -9.161 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.140 1.512 -9.125 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.233 1.101 -7.782 1.00 0.00 H new ATOM 662 N ILE A 43 8.370 -0.332 -9.306 1.00 0.00 N ATOM 663 CA ILE A 43 7.049 -0.128 -9.899 1.00 0.00 C ATOM 664 C ILE A 43 6.768 1.361 -10.067 1.00 0.00 C ATOM 665 O ILE A 43 7.444 2.200 -9.463 1.00 0.00 O ATOM 666 CB ILE A 43 5.917 -0.754 -9.048 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.852 -0.092 -7.670 1.00 0.00 C ATOM 668 CG2 ILE A 43 6.109 -2.257 -8.909 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.741 -0.621 -6.794 1.00 0.00 C ATOM 0 H ILE A 43 8.504 0.133 -8.408 1.00 0.00 H new ATOM 0 HA ILE A 43 7.063 -0.625 -10.869 1.00 0.00 H new ATOM 0 HB ILE A 43 4.971 -0.579 -9.561 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.805 -0.238 -7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.721 0.982 -7.799 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.301 -2.673 -8.307 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.100 -2.718 -9.897 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.064 -2.458 -8.423 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.758 -0.105 -5.834 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.781 -0.450 -7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.882 -1.690 -6.634 1.00 0.00 H new ATOM 681 N SER A 44 5.770 1.688 -10.878 1.00 0.00 N ATOM 682 CA SER A 44 5.411 3.066 -11.127 1.00 0.00 C ATOM 683 C SER A 44 3.973 3.193 -11.627 1.00 0.00 C ATOM 684 O SER A 44 3.284 2.194 -11.836 1.00 0.00 O ATOM 685 CB SER A 44 6.370 3.650 -12.154 1.00 0.00 C ATOM 686 OG SER A 44 6.663 2.713 -13.182 1.00 0.00 O ATOM 0 H SER A 44 5.195 1.008 -11.375 1.00 0.00 H new ATOM 0 HA SER A 44 5.482 3.616 -10.189 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.934 4.548 -12.592 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.294 3.952 -11.661 1.00 0.00 H new ATOM 0 HG SER A 44 7.280 3.118 -13.827 1.00 0.00 H new ATOM 692 N THR A 45 3.532 4.430 -11.797 1.00 0.00 N ATOM 693 CA THR A 45 2.228 4.716 -12.366 1.00 0.00 C ATOM 694 C THR A 45 2.183 6.156 -12.860 1.00 0.00 C ATOM 695 O THR A 45 3.020 6.981 -12.483 1.00 0.00 O ATOM 696 CB THR A 45 1.079 4.468 -11.362 1.00 0.00 C ATOM 697 OG1 THR A 45 -0.193 4.685 -11.989 1.00 0.00 O ATOM 698 CG2 THR A 45 1.207 5.370 -10.143 1.00 0.00 C ATOM 0 H THR A 45 4.068 5.260 -11.545 1.00 0.00 H new ATOM 0 HA THR A 45 2.082 4.031 -13.201 1.00 0.00 H new ATOM 0 HB THR A 45 1.147 3.431 -11.035 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.909 4.522 -11.340 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.384 5.172 -9.456 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.154 5.172 -9.642 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.174 6.413 -10.457 1.00 0.00 H new ATOM 706 N THR A 46 1.208 6.442 -13.698 1.00 0.00 N ATOM 707 CA THR A 46 1.071 7.755 -14.311 1.00 0.00 C ATOM 708 C THR A 46 -0.398 8.045 -14.611 1.00 0.00 C ATOM 709 O THR A 46 -1.159 7.134 -14.946 1.00 0.00 O ATOM 710 CB THR A 46 1.877 7.843 -15.629 1.00 0.00 C ATOM 711 OG1 THR A 46 3.181 7.273 -15.451 1.00 0.00 O ATOM 712 CG2 THR A 46 2.021 9.287 -16.090 1.00 0.00 C ATOM 0 H THR A 46 0.488 5.775 -13.975 1.00 0.00 H new ATOM 0 HA THR A 46 1.460 8.491 -13.607 1.00 0.00 H new ATOM 0 HB THR A 46 1.331 7.285 -16.390 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.686 7.808 -14.804 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.592 9.317 -17.018 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.033 9.716 -16.257 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.542 9.863 -15.325 1.00 0.00 H new ATOM 720 N GLY A 47 -0.802 9.298 -14.464 1.00 0.00 N ATOM 721 CA GLY A 47 -2.143 9.680 -14.834 1.00 0.00 C ATOM 722 C GLY A 47 -2.550 11.009 -14.243 1.00 0.00 C ATOM 723 O GLY A 47 -1.890 12.027 -14.458 1.00 0.00 O ATOM 0 H GLY A 47 -0.224 10.054 -14.096 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.216 9.732 -15.920 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.841 8.910 -14.504 1.00 0.00 H new ATOM 727 N GLU A 48 -3.632 10.985 -13.488 1.00 0.00 N ATOM 728 CA GLU A 48 -4.229 12.192 -12.933 1.00 0.00 C ATOM 729 C GLU A 48 -5.034 11.830 -11.693 1.00 0.00 C ATOM 730 O GLU A 48 -6.118 12.363 -11.446 1.00 0.00 O ATOM 731 CB GLU A 48 -5.123 12.842 -13.992 1.00 0.00 C ATOM 732 CG GLU A 48 -6.140 11.884 -14.589 1.00 0.00 C ATOM 733 CD GLU A 48 -6.826 12.444 -15.811 1.00 0.00 C ATOM 734 OE1 GLU A 48 -6.301 12.260 -16.927 1.00 0.00 O ATOM 735 OE2 GLU A 48 -7.901 13.060 -15.666 1.00 0.00 O ATOM 0 H GLU A 48 -4.125 10.127 -13.240 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.452 12.901 -12.648 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.648 13.687 -13.546 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.498 13.241 -14.790 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.642 10.951 -14.853 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.890 11.642 -13.836 1.00 0.00 H new ATOM 742 N MET A 49 -4.473 10.927 -10.904 1.00 0.00 N ATOM 743 CA MET A 49 -5.187 10.333 -9.783 1.00 0.00 C ATOM 744 C MET A 49 -5.014 11.171 -8.521 1.00 0.00 C ATOM 745 O MET A 49 -4.532 12.302 -8.570 1.00 0.00 O ATOM 746 CB MET A 49 -4.674 8.914 -9.521 1.00 0.00 C ATOM 747 CG MET A 49 -4.467 8.083 -10.778 1.00 0.00 C ATOM 748 SD MET A 49 -5.940 7.983 -11.811 1.00 0.00 S ATOM 749 CE MET A 49 -5.313 7.011 -13.176 1.00 0.00 C ATOM 0 H MET A 49 -3.518 10.587 -11.020 1.00 0.00 H new ATOM 0 HA MET A 49 -6.245 10.298 -10.041 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.730 8.975 -8.980 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.381 8.399 -8.871 1.00 0.00 H new ATOM 0 HG2 MET A 49 -3.651 8.512 -11.360 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.161 7.076 -10.494 1.00 0.00 H new ATOM 0 HE1 MET A 49 -6.035 7.022 -13.992 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.369 7.434 -13.521 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.152 5.984 -12.848 1.00 0.00 H new ATOM 759 N SER A 50 -5.427 10.609 -7.398 1.00 0.00 N ATOM 760 CA SER A 50 -5.252 11.249 -6.109 1.00 0.00 C ATOM 761 C SER A 50 -4.033 10.653 -5.408 1.00 0.00 C ATOM 762 O SER A 50 -3.719 9.483 -5.618 1.00 0.00 O ATOM 763 CB SER A 50 -6.511 11.043 -5.274 1.00 0.00 C ATOM 764 OG SER A 50 -7.672 11.253 -6.062 1.00 0.00 O ATOM 0 H SER A 50 -5.890 9.701 -7.355 1.00 0.00 H new ATOM 0 HA SER A 50 -5.088 12.319 -6.239 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.521 10.033 -4.864 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.510 11.730 -4.428 1.00 0.00 H new ATOM 0 HG SER A 50 -8.471 11.115 -5.511 1.00 0.00 H new ATOM 770 N PRO A 51 -3.325 11.439 -4.577 1.00 0.00 N ATOM 771 CA PRO A 51 -2.096 10.990 -3.906 1.00 0.00 C ATOM 772 C PRO A 51 -2.274 9.689 -3.123 1.00 0.00 C ATOM 773 O PRO A 51 -1.456 8.779 -3.228 1.00 0.00 O ATOM 774 CB PRO A 51 -1.745 12.149 -2.956 1.00 0.00 C ATOM 775 CG PRO A 51 -2.955 13.020 -2.921 1.00 0.00 C ATOM 776 CD PRO A 51 -3.638 12.833 -4.244 1.00 0.00 C ATOM 0 HA PRO A 51 -1.315 10.766 -4.632 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.500 11.779 -1.961 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.876 12.700 -3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.614 12.740 -2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.680 14.064 -2.768 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.713 13.000 -4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.258 13.524 -4.997 1.00 0.00 H new ATOM 784 N LEU A 52 -3.344 9.601 -2.345 1.00 0.00 N ATOM 785 CA LEU A 52 -3.608 8.401 -1.555 1.00 0.00 C ATOM 786 C LEU A 52 -4.122 7.277 -2.447 1.00 0.00 C ATOM 787 O LEU A 52 -3.825 6.102 -2.220 1.00 0.00 O ATOM 788 CB LEU A 52 -4.622 8.682 -0.436 1.00 0.00 C ATOM 789 CG LEU A 52 -4.138 9.600 0.696 1.00 0.00 C ATOM 790 CD1 LEU A 52 -4.032 11.044 0.235 1.00 0.00 C ATOM 791 CD2 LEU A 52 -5.071 9.497 1.890 1.00 0.00 C ATOM 0 H LEU A 52 -4.040 10.339 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.668 8.094 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.512 9.126 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.926 7.730 -0.000 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.142 9.270 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.687 11.665 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.323 11.111 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.010 11.393 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.717 10.152 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.076 9.796 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.090 8.468 2.249 1.00 0.00 H new ATOM 803 N ASP A 53 -4.880 7.652 -3.469 1.00 0.00 N ATOM 804 CA ASP A 53 -5.450 6.690 -4.409 1.00 0.00 C ATOM 805 C ASP A 53 -4.352 5.987 -5.193 1.00 0.00 C ATOM 806 O ASP A 53 -4.349 4.763 -5.325 1.00 0.00 O ATOM 807 CB ASP A 53 -6.409 7.398 -5.367 1.00 0.00 C ATOM 808 CG ASP A 53 -7.035 6.457 -6.374 1.00 0.00 C ATOM 809 OD1 ASP A 53 -7.799 5.561 -5.957 1.00 0.00 O ATOM 810 OD2 ASP A 53 -6.795 6.633 -7.586 1.00 0.00 O ATOM 0 H ASP A 53 -5.117 8.623 -3.671 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.002 5.940 -3.842 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.197 7.883 -4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.871 8.184 -5.897 1.00 0.00 H new ATOM 815 N ALA A 54 -3.403 6.772 -5.686 1.00 0.00 N ATOM 816 CA ALA A 54 -2.274 6.237 -6.430 1.00 0.00 C ATOM 817 C ALA A 54 -1.387 5.393 -5.527 1.00 0.00 C ATOM 818 O ALA A 54 -0.763 4.435 -5.978 1.00 0.00 O ATOM 819 CB ALA A 54 -1.468 7.361 -7.060 1.00 0.00 C ATOM 0 H ALA A 54 -3.395 7.787 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.662 5.601 -7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.628 6.941 -7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.103 7.927 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.094 8.023 -6.279 1.00 0.00 H new ATOM 825 N ARG A 55 -1.334 5.752 -4.246 1.00 0.00 N ATOM 826 CA ARG A 55 -0.583 4.975 -3.279 1.00 0.00 C ATOM 827 C ARG A 55 -1.194 3.595 -3.132 1.00 0.00 C ATOM 828 O ARG A 55 -0.488 2.603 -3.197 1.00 0.00 O ATOM 829 CB ARG A 55 -0.528 5.672 -1.917 1.00 0.00 C ATOM 830 CG ARG A 55 0.476 6.810 -1.846 1.00 0.00 C ATOM 831 CD ARG A 55 0.820 7.157 -0.405 1.00 0.00 C ATOM 832 NE ARG A 55 -0.360 7.510 0.382 1.00 0.00 N ATOM 833 CZ ARG A 55 -0.478 7.267 1.689 1.00 0.00 C ATOM 834 NH1 ARG A 55 0.483 6.616 2.339 1.00 0.00 N ATOM 835 NH2 ARG A 55 -1.565 7.656 2.345 1.00 0.00 N ATOM 0 H ARG A 55 -1.802 6.573 -3.861 1.00 0.00 H new ATOM 0 HA ARG A 55 0.438 4.881 -3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.518 6.059 -1.678 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.281 4.935 -1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.384 6.531 -2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.069 7.689 -2.346 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.322 6.309 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.523 7.990 -0.393 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.137 7.968 -0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.314 6.301 1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.389 6.432 3.338 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.313 8.142 1.850 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.652 7.469 3.344 1.00 0.00 H new ATOM 849 N GLU A 56 -2.510 3.527 -2.963 1.00 0.00 N ATOM 850 CA GLU A 56 -3.181 2.238 -2.812 1.00 0.00 C ATOM 851 C GLU A 56 -3.009 1.382 -4.051 1.00 0.00 C ATOM 852 O GLU A 56 -2.867 0.165 -3.960 1.00 0.00 O ATOM 853 CB GLU A 56 -4.668 2.417 -2.505 1.00 0.00 C ATOM 854 CG GLU A 56 -4.955 2.635 -1.033 1.00 0.00 C ATOM 855 CD GLU A 56 -4.363 1.536 -0.174 1.00 0.00 C ATOM 856 OE1 GLU A 56 -4.876 0.396 -0.219 1.00 0.00 O ATOM 857 OE2 GLU A 56 -3.381 1.806 0.544 1.00 0.00 O ATOM 0 H GLU A 56 -3.128 4.338 -2.927 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.713 1.729 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.049 3.266 -3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.211 1.536 -2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.549 3.598 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.033 2.678 -0.876 1.00 0.00 H new ATOM 864 N ASP A 57 -2.996 2.029 -5.204 1.00 0.00 N ATOM 865 CA ASP A 57 -2.818 1.332 -6.468 1.00 0.00 C ATOM 866 C ASP A 57 -1.429 0.711 -6.522 1.00 0.00 C ATOM 867 O ASP A 57 -1.267 -0.459 -6.855 1.00 0.00 O ATOM 868 CB ASP A 57 -3.023 2.310 -7.635 1.00 0.00 C ATOM 869 CG ASP A 57 -2.827 1.669 -8.995 1.00 0.00 C ATOM 870 OD1 ASP A 57 -1.682 1.655 -9.491 1.00 0.00 O ATOM 871 OD2 ASP A 57 -3.827 1.194 -9.582 1.00 0.00 O ATOM 0 H ASP A 57 -3.107 3.039 -5.292 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.557 0.535 -6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.029 2.727 -7.579 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.327 3.142 -7.529 1.00 0.00 H new ATOM 876 N LEU A 58 -0.440 1.496 -6.133 1.00 0.00 N ATOM 877 CA LEU A 58 0.947 1.055 -6.128 1.00 0.00 C ATOM 878 C LEU A 58 1.196 0.009 -5.044 1.00 0.00 C ATOM 879 O LEU A 58 1.761 -1.050 -5.308 1.00 0.00 O ATOM 880 CB LEU A 58 1.861 2.261 -5.910 1.00 0.00 C ATOM 881 CG LEU A 58 2.045 3.168 -7.129 1.00 0.00 C ATOM 882 CD1 LEU A 58 2.963 4.331 -6.788 1.00 0.00 C ATOM 883 CD2 LEU A 58 2.605 2.375 -8.304 1.00 0.00 C ATOM 0 H LEU A 58 -0.573 2.455 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 58 1.165 0.594 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.460 2.857 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.840 1.902 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 58 1.071 3.566 -7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.085 4.968 -7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.527 4.912 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.936 3.948 -6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.730 3.035 -9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.571 1.951 -8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.916 1.571 -8.562 1.00 0.00 H new ATOM 895 N ILE A 59 0.760 0.313 -3.834 1.00 0.00 N ATOM 896 CA ILE A 59 0.983 -0.549 -2.683 1.00 0.00 C ATOM 897 C ILE A 59 0.317 -1.910 -2.873 1.00 0.00 C ATOM 898 O ILE A 59 0.909 -2.942 -2.560 1.00 0.00 O ATOM 899 CB ILE A 59 0.472 0.121 -1.386 1.00 0.00 C ATOM 900 CG1 ILE A 59 1.270 1.400 -1.107 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.571 -0.834 -0.202 1.00 0.00 C ATOM 902 CD1 ILE A 59 0.577 2.356 -0.155 1.00 0.00 C ATOM 0 H ILE A 59 0.241 1.165 -3.620 1.00 0.00 H new ATOM 0 HA ILE A 59 2.058 -0.706 -2.593 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.578 0.379 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.241 1.129 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.458 1.913 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.205 -0.338 0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.032 -1.720 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.611 -1.127 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.201 3.237 -0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.382 2.658 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.413 1.861 0.802 1.00 0.00 H new ATOM 914 N LYS A 60 -0.900 -1.920 -3.413 1.00 0.00 N ATOM 915 CA LYS A 60 -1.604 -3.178 -3.627 1.00 0.00 C ATOM 916 C LYS A 60 -1.002 -3.945 -4.795 1.00 0.00 C ATOM 917 O LYS A 60 -1.027 -5.167 -4.814 1.00 0.00 O ATOM 918 CB LYS A 60 -3.100 -2.947 -3.847 1.00 0.00 C ATOM 919 CG LYS A 60 -3.832 -2.529 -2.582 1.00 0.00 C ATOM 920 CD LYS A 60 -3.705 -3.588 -1.495 1.00 0.00 C ATOM 921 CE LYS A 60 -4.429 -3.181 -0.218 1.00 0.00 C ATOM 922 NZ LYS A 60 -3.808 -1.997 0.439 1.00 0.00 N ATOM 0 H LYS A 60 -1.410 -1.086 -3.705 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.487 -3.779 -2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.235 -2.178 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.550 -3.861 -4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.428 -1.583 -2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.885 -2.360 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.112 -4.532 -1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.651 -3.759 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.471 -2.959 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.430 -4.020 0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.651 -2.202 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.898 -1.784 -0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.441 -1.177 0.347 1.00 0.00 H new ATOM 936 N LYS A 61 -0.447 -3.223 -5.758 1.00 0.00 N ATOM 937 CA LYS A 61 0.215 -3.839 -6.899 1.00 0.00 C ATOM 938 C LYS A 61 1.571 -4.398 -6.518 1.00 0.00 C ATOM 939 O LYS A 61 1.990 -5.448 -7.002 1.00 0.00 O ATOM 940 CB LYS A 61 0.345 -2.820 -8.010 1.00 0.00 C ATOM 941 CG LYS A 61 -0.875 -2.828 -8.888 1.00 0.00 C ATOM 942 CD LYS A 61 -0.800 -1.803 -9.999 1.00 0.00 C ATOM 943 CE LYS A 61 0.255 -2.175 -11.020 1.00 0.00 C ATOM 944 NZ LYS A 61 -0.045 -3.471 -11.686 1.00 0.00 N ATOM 0 H LYS A 61 -0.442 -2.203 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.390 -4.677 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.485 -1.827 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.230 -3.038 -8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.999 -3.820 -9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.758 -2.634 -8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.771 -1.722 -10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.573 -0.823 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.325 -1.389 -11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.227 -2.235 -10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.506 -3.545 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.209 -4.255 -11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.060 -3.520 -11.908 1.00 0.00 H new ATOM 958 N ALA A 62 2.265 -3.660 -5.682 1.00 0.00 N ATOM 959 CA ALA A 62 3.472 -4.157 -5.030 1.00 0.00 C ATOM 960 C ALA A 62 3.166 -5.438 -4.257 1.00 0.00 C ATOM 961 O ALA A 62 3.908 -6.420 -4.336 1.00 0.00 O ATOM 962 CB ALA A 62 4.043 -3.100 -4.097 1.00 0.00 C ATOM 0 H ALA A 62 2.017 -2.703 -5.431 1.00 0.00 H new ATOM 0 HA ALA A 62 4.215 -4.381 -5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.943 -3.485 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.291 -2.206 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.305 -2.850 -3.335 1.00 0.00 H new ATOM 968 N ASP A 63 2.056 -5.425 -3.523 1.00 0.00 N ATOM 969 CA ASP A 63 1.591 -6.602 -2.794 1.00 0.00 C ATOM 970 C ASP A 63 1.181 -7.703 -3.772 1.00 0.00 C ATOM 971 O ASP A 63 1.388 -8.887 -3.515 1.00 0.00 O ATOM 972 CB ASP A 63 0.418 -6.233 -1.880 1.00 0.00 C ATOM 973 CG ASP A 63 -0.082 -7.404 -1.054 1.00 0.00 C ATOM 974 OD1 ASP A 63 0.641 -7.837 -0.135 1.00 0.00 O ATOM 975 OD2 ASP A 63 -1.209 -7.885 -1.313 1.00 0.00 O ATOM 0 H ASP A 63 1.458 -4.606 -3.417 1.00 0.00 H new ATOM 0 HA ASP A 63 2.407 -6.975 -2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.725 -5.429 -1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.401 -5.848 -2.487 1.00 0.00 H new ATOM 980 N GLU A 64 0.621 -7.301 -4.912 1.00 0.00 N ATOM 981 CA GLU A 64 0.290 -8.235 -5.987 1.00 0.00 C ATOM 982 C GLU A 64 1.548 -8.871 -6.570 1.00 0.00 C ATOM 983 O GLU A 64 1.491 -9.936 -7.184 1.00 0.00 O ATOM 984 CB GLU A 64 -0.492 -7.539 -7.106 1.00 0.00 C ATOM 985 CG GLU A 64 -1.959 -7.337 -6.806 1.00 0.00 C ATOM 986 CD GLU A 64 -2.764 -7.081 -8.060 1.00 0.00 C ATOM 987 OE1 GLU A 64 -2.463 -6.106 -8.781 1.00 0.00 O ATOM 988 OE2 GLU A 64 -3.680 -7.874 -8.349 1.00 0.00 O ATOM 0 H GLU A 64 0.386 -6.330 -5.115 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.334 -9.015 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.036 -6.569 -7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.397 -8.126 -8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.350 -8.219 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.077 -6.497 -6.122 1.00 0.00 H new ATOM 995 N LYS A 65 2.679 -8.206 -6.386 1.00 0.00 N ATOM 996 CA LYS A 65 3.962 -8.740 -6.820 1.00 0.00 C ATOM 997 C LYS A 65 4.554 -9.612 -5.712 1.00 0.00 C ATOM 998 O LYS A 65 5.507 -10.358 -5.932 1.00 0.00 O ATOM 999 CB LYS A 65 4.916 -7.595 -7.182 1.00 0.00 C ATOM 1000 CG LYS A 65 6.236 -8.044 -7.798 1.00 0.00 C ATOM 1001 CD LYS A 65 6.026 -8.799 -9.104 1.00 0.00 C ATOM 1002 CE LYS A 65 5.381 -7.924 -10.168 1.00 0.00 C ATOM 1003 NZ LYS A 65 5.156 -8.671 -11.434 1.00 0.00 N ATOM 0 H LYS A 65 2.734 -7.292 -5.937 1.00 0.00 H new ATOM 0 HA LYS A 65 3.817 -9.354 -7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.413 -6.926 -7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.127 -7.017 -6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.867 -7.174 -7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.768 -8.681 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.985 -9.167 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.398 -9.671 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.430 -7.542 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.017 -7.061 -10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.715 -8.042 -12.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.067 -9.014 -11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.529 -9.480 -11.253 1.00 0.00 H new ATOM 1017 N GLY A 66 3.966 -9.515 -4.527 1.00 0.00 N ATOM 1018 CA GLY A 66 4.402 -10.323 -3.406 1.00 0.00 C ATOM 1019 C GLY A 66 5.402 -9.608 -2.524 1.00 0.00 C ATOM 1020 O GLY A 66 5.977 -10.214 -1.622 1.00 0.00 O ATOM 0 H GLY A 66 3.189 -8.886 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.535 -10.607 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.847 -11.245 -3.780 1.00 0.00 H new ATOM 1024 N ALA A 67 5.590 -8.313 -2.771 1.00 0.00 N ATOM 1025 CA ALA A 67 6.586 -7.521 -2.054 1.00 0.00 C ATOM 1026 C ALA A 67 6.303 -7.469 -0.559 1.00 0.00 C ATOM 1027 O ALA A 67 5.152 -7.468 -0.124 1.00 0.00 O ATOM 1028 CB ALA A 67 6.646 -6.110 -2.617 1.00 0.00 C ATOM 0 H ALA A 67 5.061 -7.788 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 67 7.550 -8.010 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.393 -5.532 -2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.917 -6.150 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.671 -5.634 -2.511 1.00 0.00 H new ATOM 1034 N ASP A 68 7.372 -7.422 0.214 1.00 0.00 N ATOM 1035 CA ASP A 68 7.279 -7.345 1.662 1.00 0.00 C ATOM 1036 C ASP A 68 7.468 -5.914 2.123 1.00 0.00 C ATOM 1037 O ASP A 68 6.716 -5.406 2.954 1.00 0.00 O ATOM 1038 CB ASP A 68 8.341 -8.240 2.310 1.00 0.00 C ATOM 1039 CG ASP A 68 7.954 -9.704 2.347 1.00 0.00 C ATOM 1040 OD1 ASP A 68 7.333 -10.135 3.336 1.00 0.00 O ATOM 1041 OD2 ASP A 68 8.304 -10.439 1.406 1.00 0.00 O ATOM 0 H ASP A 68 8.328 -7.436 -0.142 1.00 0.00 H new ATOM 0 HA ASP A 68 6.290 -7.690 1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.278 -8.133 1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.525 -7.895 3.327 1.00 0.00 H new ATOM 1046 N VAL A 69 8.468 -5.260 1.564 1.00 0.00 N ATOM 1047 CA VAL A 69 8.775 -3.881 1.926 1.00 0.00 C ATOM 1048 C VAL A 69 8.732 -3.000 0.690 1.00 0.00 C ATOM 1049 O VAL A 69 9.190 -3.402 -0.377 1.00 0.00 O ATOM 1050 CB VAL A 69 10.160 -3.760 2.606 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.549 -2.301 2.813 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.162 -4.499 3.935 1.00 0.00 C ATOM 0 H VAL A 69 9.085 -5.658 0.856 1.00 0.00 H new ATOM 0 HA VAL A 69 8.022 -3.551 2.641 1.00 0.00 H new ATOM 0 HB VAL A 69 10.899 -4.215 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.526 -2.250 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.591 -1.795 1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.808 -1.813 3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.142 -4.405 4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.405 -4.070 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.940 -5.553 3.766 1.00 0.00 H new ATOM 1062 N VAL A 70 8.165 -1.810 0.824 1.00 0.00 N ATOM 1063 CA VAL A 70 8.076 -0.889 -0.295 1.00 0.00 C ATOM 1064 C VAL A 70 8.760 0.433 0.040 1.00 0.00 C ATOM 1065 O VAL A 70 8.707 0.901 1.180 1.00 0.00 O ATOM 1066 CB VAL A 70 6.606 -0.634 -0.706 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.941 -1.924 -1.157 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.811 -0.013 0.431 1.00 0.00 C ATOM 0 H VAL A 70 7.762 -1.462 1.694 1.00 0.00 H new ATOM 0 HA VAL A 70 8.589 -1.351 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 70 6.618 0.069 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.908 -1.721 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.480 -2.331 -2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.957 -2.646 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.783 0.153 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.818 -0.685 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.261 0.939 0.712 1.00 0.00 H new ATOM 1078 N VAL A 71 9.414 1.018 -0.947 1.00 0.00 N ATOM 1079 CA VAL A 71 10.068 2.307 -0.781 1.00 0.00 C ATOM 1080 C VAL A 71 9.461 3.314 -1.745 1.00 0.00 C ATOM 1081 O VAL A 71 9.716 3.269 -2.950 1.00 0.00 O ATOM 1082 CB VAL A 71 11.594 2.213 -1.020 1.00 0.00 C ATOM 1083 CG1 VAL A 71 12.265 3.564 -0.805 1.00 0.00 C ATOM 1084 CG2 VAL A 71 12.223 1.160 -0.118 1.00 0.00 C ATOM 0 H VAL A 71 9.508 0.618 -1.881 1.00 0.00 H new ATOM 0 HA VAL A 71 9.911 2.631 0.248 1.00 0.00 H new ATOM 0 HB VAL A 71 11.749 1.914 -2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.337 3.470 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.847 4.293 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.092 3.898 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.296 1.114 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.048 1.423 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.776 0.188 -0.327 1.00 0.00 H new ATOM 1094 N LEU A 72 8.643 4.208 -1.217 1.00 0.00 N ATOM 1095 CA LEU A 72 7.935 5.167 -2.045 1.00 0.00 C ATOM 1096 C LEU A 72 8.821 6.352 -2.406 1.00 0.00 C ATOM 1097 O LEU A 72 8.977 7.283 -1.618 1.00 0.00 O ATOM 1098 CB LEU A 72 6.676 5.665 -1.326 1.00 0.00 C ATOM 1099 CG LEU A 72 5.640 4.589 -0.982 1.00 0.00 C ATOM 1100 CD1 LEU A 72 4.461 5.205 -0.245 1.00 0.00 C ATOM 1101 CD2 LEU A 72 5.163 3.869 -2.235 1.00 0.00 C ATOM 0 H LEU A 72 8.453 4.289 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 72 7.650 4.659 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.978 6.161 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.197 6.419 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 72 6.117 3.856 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.734 4.428 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.811 5.669 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.992 5.960 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.429 3.111 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.707 4.587 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.011 3.392 -2.726 1.00 0.00 H new ATOM 1113 N THR A 73 9.433 6.297 -3.580 1.00 0.00 N ATOM 1114 CA THR A 73 10.111 7.461 -4.118 1.00 0.00 C ATOM 1115 C THR A 73 9.070 8.473 -4.585 1.00 0.00 C ATOM 1116 O THR A 73 9.183 9.674 -4.323 1.00 0.00 O ATOM 1117 CB THR A 73 11.049 7.075 -5.277 1.00 0.00 C ATOM 1118 OG1 THR A 73 10.464 6.016 -6.049 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.410 6.636 -4.749 1.00 0.00 C ATOM 0 H THR A 73 9.473 5.467 -4.171 1.00 0.00 H new ATOM 0 HA THR A 73 10.727 7.904 -3.335 1.00 0.00 H new ATOM 0 HB THR A 73 11.189 7.951 -5.911 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.065 5.777 -6.785 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.056 6.368 -5.585 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.863 7.453 -4.188 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.286 5.772 -4.096 1.00 0.00 H new ATOM 1127 N SER A 74 8.049 7.946 -5.258 1.00 0.00 N ATOM 1128 CA SER A 74 6.835 8.676 -5.633 1.00 0.00 C ATOM 1129 C SER A 74 7.106 9.967 -6.414 1.00 0.00 C ATOM 1130 O SER A 74 8.229 10.240 -6.848 1.00 0.00 O ATOM 1131 CB SER A 74 5.976 8.967 -4.388 1.00 0.00 C ATOM 1132 OG SER A 74 6.662 9.776 -3.450 1.00 0.00 O ATOM 0 H SER A 74 8.041 6.974 -5.567 1.00 0.00 H new ATOM 0 HA SER A 74 6.287 8.023 -6.312 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.055 9.464 -4.691 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.690 8.027 -3.916 1.00 0.00 H new ATOM 0 HG SER A 74 7.500 10.096 -3.845 1.00 0.00 H new ATOM 1138 N GLY A 75 6.040 10.731 -6.616 1.00 0.00 N ATOM 1139 CA GLY A 75 6.128 12.011 -7.274 1.00 0.00 C ATOM 1140 C GLY A 75 5.363 13.048 -6.489 1.00 0.00 C ATOM 1141 O GLY A 75 4.131 13.038 -6.468 1.00 0.00 O ATOM 0 H GLY A 75 5.096 10.474 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.172 12.310 -7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.726 11.938 -8.285 1.00 0.00 H new ATOM 1145 N GLN A 76 6.091 13.925 -5.827 1.00 0.00 N ATOM 1146 CA GLN A 76 5.509 14.872 -4.904 1.00 0.00 C ATOM 1147 C GLN A 76 4.915 16.033 -5.666 1.00 0.00 C ATOM 1148 O GLN A 76 5.587 17.004 -6.005 1.00 0.00 O ATOM 1149 CB GLN A 76 6.548 15.356 -3.892 1.00 0.00 C ATOM 1150 CG GLN A 76 5.950 15.861 -2.580 1.00 0.00 C ATOM 1151 CD GLN A 76 5.282 17.224 -2.692 1.00 0.00 C ATOM 1152 OE1 GLN A 76 5.709 18.085 -3.461 1.00 0.00 O ATOM 1153 NE2 GLN A 76 4.226 17.427 -1.922 1.00 0.00 N ATOM 0 H GLN A 76 7.104 13.999 -5.916 1.00 0.00 H new ATOM 0 HA GLN A 76 4.713 14.376 -4.348 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.236 14.539 -3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.135 16.156 -4.344 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.218 15.137 -2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.738 15.914 -1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.901 16.689 -1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.736 18.321 -1.953 1.00 0.00 H new ATOM 1162 N THR A 77 3.678 15.847 -6.027 1.00 0.00 N ATOM 1163 CA THR A 77 2.855 16.925 -6.548 1.00 0.00 C ATOM 1164 C THR A 77 1.461 16.899 -5.907 1.00 0.00 C ATOM 1165 O THR A 77 1.285 17.411 -4.800 1.00 0.00 O ATOM 1166 CB THR A 77 2.755 16.870 -8.086 1.00 0.00 C ATOM 1167 OG1 THR A 77 4.057 16.660 -8.647 1.00 0.00 O ATOM 1168 CG2 THR A 77 2.168 18.163 -8.634 1.00 0.00 C ATOM 0 H THR A 77 3.202 14.947 -5.972 1.00 0.00 H new ATOM 0 HA THR A 77 3.337 17.867 -6.286 1.00 0.00 H new ATOM 0 HB THR A 77 2.098 16.045 -8.361 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.990 16.624 -9.624 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.106 18.103 -9.721 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.170 18.313 -8.222 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.807 19.000 -8.353 1.00 0.00 H new ATOM 1176 N GLU A 78 0.488 16.269 -6.575 1.00 0.00 N ATOM 1177 CA GLU A 78 -0.871 16.176 -6.052 1.00 0.00 C ATOM 1178 C GLU A 78 -1.752 15.394 -7.029 1.00 0.00 C ATOM 1179 O GLU A 78 -2.137 14.262 -6.750 1.00 0.00 O ATOM 1180 CB GLU A 78 -1.443 17.578 -5.809 1.00 0.00 C ATOM 1181 CG GLU A 78 -2.449 17.660 -4.668 1.00 0.00 C ATOM 1182 CD GLU A 78 -3.805 17.092 -5.019 1.00 0.00 C ATOM 1183 OE1 GLU A 78 -4.521 17.720 -5.825 1.00 0.00 O ATOM 1184 OE2 GLU A 78 -4.179 16.037 -4.472 1.00 0.00 O ATOM 0 H GLU A 78 0.621 15.817 -7.480 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.851 15.646 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.620 18.262 -5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.922 17.925 -6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.052 17.125 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.566 18.702 -4.371 1.00 0.00 H new ATOM 1191 N ASN A 79 -2.055 15.996 -8.179 1.00 0.00 N ATOM 1192 CA ASN A 79 -2.879 15.353 -9.190 1.00 0.00 C ATOM 1193 C ASN A 79 -2.020 14.779 -10.317 1.00 0.00 C ATOM 1194 O ASN A 79 -2.141 13.608 -10.677 1.00 0.00 O ATOM 1195 CB ASN A 79 -3.865 16.370 -9.754 1.00 0.00 C ATOM 1196 CG ASN A 79 -4.905 15.720 -10.624 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -4.779 15.672 -11.848 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -5.931 15.198 -9.988 1.00 0.00 N ATOM 0 H ASN A 79 -1.738 16.932 -8.430 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.421 14.528 -8.727 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.354 16.895 -8.933 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.324 17.118 -10.333 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.669 14.727 -10.511 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.989 15.265 -8.972 1.00 0.00 H new ATOM 1205 N LYS A 80 -1.139 15.614 -10.857 1.00 0.00 N ATOM 1206 CA LYS A 80 -0.238 15.219 -11.946 1.00 0.00 C ATOM 1207 C LYS A 80 0.933 14.393 -11.410 1.00 0.00 C ATOM 1208 O LYS A 80 2.094 14.616 -11.763 1.00 0.00 O ATOM 1209 CB LYS A 80 0.290 16.468 -12.647 1.00 0.00 C ATOM 1210 CG LYS A 80 0.836 17.494 -11.675 1.00 0.00 C ATOM 1211 CD LYS A 80 1.460 18.683 -12.383 1.00 0.00 C ATOM 1212 CE LYS A 80 2.759 18.292 -13.068 1.00 0.00 C ATOM 1213 NZ LYS A 80 3.457 19.469 -13.643 1.00 0.00 N ATOM 0 H LYS A 80 -1.025 16.582 -10.557 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.795 14.606 -12.655 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.075 16.183 -13.348 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.512 16.918 -13.232 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.032 17.841 -11.027 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.581 17.023 -11.034 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.761 19.079 -13.120 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.650 19.480 -11.664 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.413 17.797 -12.350 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.550 17.572 -13.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.338 19.160 -14.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.843 19.927 -14.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.680 20.145 -12.885 1.00 0.00 H new ATOM 1227 N ILE A 81 0.615 13.445 -10.556 1.00 0.00 N ATOM 1228 CA ILE A 81 1.615 12.620 -9.903 1.00 0.00 C ATOM 1229 C ILE A 81 2.036 11.421 -10.752 1.00 0.00 C ATOM 1230 O ILE A 81 1.204 10.628 -11.205 1.00 0.00 O ATOM 1231 CB ILE A 81 1.116 12.112 -8.534 1.00 0.00 C ATOM 1232 CG1 ILE A 81 -0.283 11.501 -8.670 1.00 0.00 C ATOM 1233 CG2 ILE A 81 1.110 13.242 -7.519 1.00 0.00 C ATOM 1234 CD1 ILE A 81 -0.818 10.897 -7.390 1.00 0.00 C ATOM 0 H ILE A 81 -0.345 13.222 -10.293 1.00 0.00 H new ATOM 0 HA ILE A 81 2.484 13.263 -9.764 1.00 0.00 H new ATOM 0 HB ILE A 81 1.797 11.338 -8.181 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.973 12.272 -9.012 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.258 10.731 -9.441 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.755 12.867 -6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.121 13.634 -7.405 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.449 14.037 -7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.812 10.486 -7.569 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.151 10.102 -7.056 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.877 11.667 -6.621 1.00 0.00 H new ATOM 1246 N HIS A 82 3.337 11.303 -10.977 1.00 0.00 N ATOM 1247 CA HIS A 82 3.906 10.084 -11.528 1.00 0.00 C ATOM 1248 C HIS A 82 4.429 9.236 -10.381 1.00 0.00 C ATOM 1249 O HIS A 82 5.543 9.446 -9.892 1.00 0.00 O ATOM 1250 CB HIS A 82 5.028 10.389 -12.536 1.00 0.00 C ATOM 1251 CG HIS A 82 5.776 9.170 -13.006 1.00 0.00 C ATOM 1252 ND1 HIS A 82 5.299 8.305 -13.971 1.00 0.00 N ATOM 1253 CD2 HIS A 82 6.980 8.675 -12.628 1.00 0.00 C ATOM 1254 CE1 HIS A 82 6.173 7.334 -14.158 1.00 0.00 C ATOM 1255 NE2 HIS A 82 7.200 7.535 -13.358 1.00 0.00 N ATOM 0 H HIS A 82 4.018 12.038 -10.786 1.00 0.00 H new ATOM 0 HA HIS A 82 3.132 9.541 -12.071 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.598 10.895 -13.401 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.734 11.083 -12.079 1.00 0.00 H new ATOM 0 HD2 HIS A 82 7.643 9.100 -11.889 1.00 0.00 H new ATOM 0 HE1 HIS A 82 6.064 6.513 -14.851 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.025 6.939 -13.292 1.00 0.00 H new ATOM 1264 N GLY A 83 3.607 8.303 -9.934 1.00 0.00 N ATOM 1265 CA GLY A 83 3.973 7.473 -8.811 1.00 0.00 C ATOM 1266 C GLY A 83 5.106 6.528 -9.137 1.00 0.00 C ATOM 1267 O GLY A 83 5.192 6.007 -10.248 1.00 0.00 O ATOM 0 H GLY A 83 2.689 8.105 -10.331 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.262 8.107 -7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.105 6.898 -8.490 1.00 0.00 H new ATOM 1271 N THR A 84 5.981 6.330 -8.173 1.00 0.00 N ATOM 1272 CA THR A 84 7.090 5.399 -8.301 1.00 0.00 C ATOM 1273 C THR A 84 7.390 4.768 -6.950 1.00 0.00 C ATOM 1274 O THR A 84 7.286 5.436 -5.921 1.00 0.00 O ATOM 1275 CB THR A 84 8.362 6.092 -8.838 1.00 0.00 C ATOM 1276 OG1 THR A 84 8.402 7.458 -8.401 1.00 0.00 O ATOM 1277 CG2 THR A 84 8.421 6.041 -10.354 1.00 0.00 C ATOM 0 H THR A 84 5.946 6.811 -7.274 1.00 0.00 H new ATOM 0 HA THR A 84 6.797 4.631 -9.017 1.00 0.00 H new ATOM 0 HB THR A 84 9.225 5.556 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.213 7.888 -8.745 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.328 6.537 -10.700 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.428 5.002 -10.683 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.550 6.547 -10.769 1.00 0.00 H new ATOM 1285 N ALA A 85 7.721 3.490 -6.943 1.00 0.00 N ATOM 1286 CA ALA A 85 8.068 2.815 -5.708 1.00 0.00 C ATOM 1287 C ALA A 85 9.016 1.667 -5.979 1.00 0.00 C ATOM 1288 O ALA A 85 8.794 0.870 -6.886 1.00 0.00 O ATOM 1289 CB ALA A 85 6.814 2.308 -5.010 1.00 0.00 C ATOM 0 H ALA A 85 7.757 2.901 -7.775 1.00 0.00 H new ATOM 0 HA ALA A 85 8.567 3.530 -5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.091 1.804 -4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.159 3.149 -4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.292 1.608 -5.662 1.00 0.00 H new ATOM 1295 N ASP A 86 10.068 1.586 -5.191 1.00 0.00 N ATOM 1296 CA ASP A 86 11.032 0.507 -5.320 1.00 0.00 C ATOM 1297 C ASP A 86 10.795 -0.502 -4.213 1.00 0.00 C ATOM 1298 O ASP A 86 10.823 -0.159 -3.034 1.00 0.00 O ATOM 1299 CB ASP A 86 12.453 1.062 -5.271 1.00 0.00 C ATOM 1300 CG ASP A 86 13.510 0.003 -5.485 1.00 0.00 C ATOM 1301 OD1 ASP A 86 13.609 -0.535 -6.612 1.00 0.00 O ATOM 1302 OD2 ASP A 86 14.275 -0.271 -4.543 1.00 0.00 O ATOM 0 H ASP A 86 10.280 2.256 -4.451 1.00 0.00 H new ATOM 0 HA ASP A 86 10.906 0.009 -6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.562 1.834 -6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.617 1.541 -4.306 1.00 0.00 H new ATOM 1307 N ILE A 87 10.524 -1.738 -4.587 1.00 0.00 N ATOM 1308 CA ILE A 87 10.029 -2.709 -3.625 1.00 0.00 C ATOM 1309 C ILE A 87 11.010 -3.854 -3.399 1.00 0.00 C ATOM 1310 O ILE A 87 11.816 -4.194 -4.269 1.00 0.00 O ATOM 1311 CB ILE A 87 8.655 -3.270 -4.057 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.760 -4.002 -5.398 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.640 -2.140 -4.153 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.437 -4.536 -5.907 1.00 0.00 C ATOM 0 H ILE A 87 10.636 -2.092 -5.537 1.00 0.00 H new ATOM 0 HA ILE A 87 9.916 -2.178 -2.680 1.00 0.00 H new ATOM 0 HB ILE A 87 8.323 -3.986 -3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.177 -3.322 -6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.461 -4.831 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.674 -2.543 -4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.541 -1.656 -3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.977 -1.410 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.591 -5.041 -6.860 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.027 -5.242 -5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.739 -3.710 -6.043 1.00 0.00 H new ATOM 1326 N TYR A 88 10.920 -4.444 -2.215 1.00 0.00 N ATOM 1327 CA TYR A 88 11.792 -5.530 -1.813 1.00 0.00 C ATOM 1328 C TYR A 88 10.986 -6.687 -1.253 1.00 0.00 C ATOM 1329 O TYR A 88 9.889 -6.510 -0.714 1.00 0.00 O ATOM 1330 CB TYR A 88 12.819 -5.052 -0.782 1.00 0.00 C ATOM 1331 CG TYR A 88 13.910 -4.201 -1.385 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.688 -2.863 -1.673 1.00 0.00 C ATOM 1333 CD2 TYR A 88 15.155 -4.741 -1.684 1.00 0.00 C ATOM 1334 CE1 TYR A 88 14.674 -2.087 -2.240 1.00 0.00 C ATOM 1335 CE2 TYR A 88 16.147 -3.970 -2.255 1.00 0.00 C ATOM 1336 CZ TYR A 88 15.901 -2.642 -2.530 1.00 0.00 C ATOM 1337 OH TYR A 88 16.880 -1.866 -3.109 1.00 0.00 O ATOM 0 H TYR A 88 10.236 -4.179 -1.506 1.00 0.00 H new ATOM 0 HA TYR A 88 12.327 -5.875 -2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.308 -4.482 -0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.268 -5.918 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.727 -2.423 -1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.349 -5.781 -1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.486 -1.046 -2.457 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.109 -4.404 -2.485 1.00 0.00 H new ATOM 0 HH TYR A 88 17.686 -2.406 -3.248 1.00 0.00 H new ATOM 1347 N LYS A 89 11.551 -7.865 -1.387 1.00 0.00 N ATOM 1348 CA LYS A 89 10.904 -9.094 -0.979 1.00 0.00 C ATOM 1349 C LYS A 89 11.746 -9.781 0.089 1.00 0.00 C ATOM 1350 O LYS A 89 12.968 -9.743 0.024 1.00 0.00 O ATOM 1351 CB LYS A 89 10.745 -9.990 -2.216 1.00 0.00 C ATOM 1352 CG LYS A 89 10.173 -11.358 -1.932 1.00 0.00 C ATOM 1353 CD LYS A 89 8.765 -11.231 -1.404 1.00 0.00 C ATOM 1354 CE LYS A 89 8.207 -12.548 -0.903 1.00 0.00 C ATOM 1355 NZ LYS A 89 6.991 -12.320 -0.084 1.00 0.00 N ATOM 0 H LYS A 89 12.480 -8.000 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 89 9.921 -8.891 -0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.101 -9.483 -2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.719 -10.109 -2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.176 -11.958 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.797 -11.878 -1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.750 -10.503 -0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.119 -10.844 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.967 -13.193 -1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.960 -13.067 -0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.536 -13.232 0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.255 -11.854 0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.328 -11.714 -0.608 1.00 0.00 H new ATOM 1369 N LYS A 90 11.106 -10.385 1.076 1.00 0.00 N ATOM 1370 CA LYS A 90 11.832 -11.033 2.161 1.00 0.00 C ATOM 1371 C LYS A 90 12.619 -12.233 1.639 1.00 0.00 C ATOM 1372 O LYS A 90 12.144 -12.965 0.767 1.00 0.00 O ATOM 1373 CB LYS A 90 10.865 -11.476 3.262 1.00 0.00 C ATOM 1374 CG LYS A 90 11.560 -11.988 4.515 1.00 0.00 C ATOM 1375 CD LYS A 90 10.576 -12.510 5.558 1.00 0.00 C ATOM 1376 CE LYS A 90 9.640 -11.421 6.073 1.00 0.00 C ATOM 1377 NZ LYS A 90 8.325 -11.415 5.369 1.00 0.00 N ATOM 0 H LYS A 90 10.090 -10.442 1.151 1.00 0.00 H new ATOM 0 HA LYS A 90 12.534 -10.312 2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.224 -10.636 3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.217 -12.260 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.252 -12.785 4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.154 -11.185 4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.986 -13.317 5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.130 -12.935 6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.476 -11.564 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.118 -10.449 5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.596 -11.023 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.393 -10.831 4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.068 -12.388 5.105 1.00 0.00 H new ATOM 1391 N LYS A 91 13.824 -12.424 2.162 1.00 0.00 N ATOM 1392 CA LYS A 91 14.642 -13.563 1.781 1.00 0.00 C ATOM 1393 C LYS A 91 14.158 -14.823 2.482 1.00 0.00 C ATOM 1394 O LYS A 91 13.222 -14.787 3.280 1.00 0.00 O ATOM 1395 CB LYS A 91 16.117 -13.324 2.122 1.00 0.00 C ATOM 1396 CG LYS A 91 16.838 -12.397 1.158 1.00 0.00 C ATOM 1397 CD LYS A 91 18.303 -12.231 1.536 1.00 0.00 C ATOM 1398 CE LYS A 91 19.072 -11.501 0.450 1.00 0.00 C ATOM 1399 NZ LYS A 91 20.496 -11.278 0.814 1.00 0.00 N ATOM 0 H LYS A 91 14.254 -11.805 2.850 1.00 0.00 H new ATOM 0 HA LYS A 91 14.549 -13.690 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.183 -12.907 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 91 16.634 -14.283 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 91 16.765 -12.794 0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.349 -11.423 1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.379 -11.679 2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.750 -13.210 1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.022 -12.076 -0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.595 -10.540 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.956 -10.703 0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.547 -10.780 1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 20.982 -12.194 0.892 1.00 0.00 H new ATOM 1413 N LEU A 92 14.814 -15.933 2.191 1.00 0.00 N ATOM 1414 CA LEU A 92 14.469 -17.207 2.804 1.00 0.00 C ATOM 1415 C LEU A 92 15.059 -17.292 4.207 1.00 0.00 C ATOM 1416 O LEU A 92 14.825 -18.252 4.942 1.00 0.00 O ATOM 1417 CB LEU A 92 14.978 -18.361 1.941 1.00 0.00 C ATOM 1418 CG LEU A 92 14.478 -18.350 0.495 1.00 0.00 C ATOM 1419 CD1 LEU A 92 15.107 -19.486 -0.296 1.00 0.00 C ATOM 1420 CD2 LEU A 92 12.960 -18.452 0.454 1.00 0.00 C ATOM 0 H LEU A 92 15.591 -15.979 1.532 1.00 0.00 H new ATOM 0 HA LEU A 92 13.384 -17.280 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.068 -18.338 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.682 -19.302 2.406 1.00 0.00 H new ATOM 0 HG LEU A 92 14.773 -17.406 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.740 -19.462 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.191 -19.373 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.842 -20.439 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.623 -18.443 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.645 -19.381 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.524 -17.606 0.985 1.00 0.00 H new ATOM 1432 N GLU A 93 15.833 -16.280 4.567 1.00 0.00 N ATOM 1433 CA GLU A 93 16.413 -16.199 5.894 1.00 0.00 C ATOM 1434 C GLU A 93 15.398 -15.642 6.880 1.00 0.00 C ATOM 1435 O GLU A 93 15.400 -14.455 7.194 1.00 0.00 O ATOM 1436 CB GLU A 93 17.676 -15.337 5.885 1.00 0.00 C ATOM 1437 CG GLU A 93 18.843 -15.980 5.155 1.00 0.00 C ATOM 1438 CD GLU A 93 19.210 -17.327 5.742 1.00 0.00 C ATOM 1439 OE1 GLU A 93 19.748 -17.359 6.867 1.00 0.00 O ATOM 1440 OE2 GLU A 93 18.939 -18.359 5.096 1.00 0.00 O ATOM 0 H GLU A 93 16.074 -15.501 3.954 1.00 0.00 H new ATOM 0 HA GLU A 93 16.691 -17.205 6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.449 -14.379 5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 93 17.971 -15.128 6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 93 18.589 -16.101 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.708 -15.318 5.200 1.00 0.00 H new ATOM 1447 N HIS A 94 14.501 -16.503 7.327 1.00 0.00 N ATOM 1448 CA HIS A 94 13.528 -16.125 8.337 1.00 0.00 C ATOM 1449 C HIS A 94 13.786 -16.907 9.618 1.00 0.00 C ATOM 1450 O HIS A 94 13.313 -18.029 9.793 1.00 0.00 O ATOM 1451 CB HIS A 94 12.078 -16.314 7.840 1.00 0.00 C ATOM 1452 CG HIS A 94 11.722 -17.706 7.386 1.00 0.00 C ATOM 1453 ND1 HIS A 94 10.662 -18.422 7.902 1.00 0.00 N ATOM 1454 CD2 HIS A 94 12.280 -18.505 6.447 1.00 0.00 C ATOM 1455 CE1 HIS A 94 10.587 -19.595 7.301 1.00 0.00 C ATOM 1456 NE2 HIS A 94 11.559 -19.669 6.413 1.00 0.00 N ATOM 0 H HIS A 94 14.426 -17.469 7.007 1.00 0.00 H new ATOM 0 HA HIS A 94 13.646 -15.062 8.546 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.398 -16.028 8.642 1.00 0.00 H new ATOM 0 HB3 HIS A 94 11.904 -15.626 7.013 1.00 0.00 H new ATOM 0 HD2 HIS A 94 13.138 -18.268 5.835 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.855 -20.363 7.502 1.00 0.00 H new ATOM 0 HE2 HIS A 94 11.744 -20.464 5.801 1.00 0.00 H new ATOM 1465 N HIS A 95 14.593 -16.319 10.485 1.00 0.00 N ATOM 1466 CA HIS A 95 14.942 -16.934 11.757 1.00 0.00 C ATOM 1467 C HIS A 95 14.364 -16.129 12.907 1.00 0.00 C ATOM 1468 O HIS A 95 14.710 -14.959 13.084 1.00 0.00 O ATOM 1469 CB HIS A 95 16.462 -17.054 11.904 1.00 0.00 C ATOM 1470 CG HIS A 95 17.076 -18.085 11.004 1.00 0.00 C ATOM 1471 ND1 HIS A 95 18.008 -17.787 10.033 1.00 0.00 N ATOM 1472 CD2 HIS A 95 16.890 -19.425 10.941 1.00 0.00 C ATOM 1473 CE1 HIS A 95 18.365 -18.895 9.415 1.00 0.00 C ATOM 1474 NE2 HIS A 95 17.702 -19.904 9.944 1.00 0.00 N ATOM 0 H HIS A 95 15.023 -15.407 10.330 1.00 0.00 H new ATOM 0 HA HIS A 95 14.516 -17.937 11.781 1.00 0.00 H new ATOM 0 HB2 HIS A 95 16.916 -16.085 11.695 1.00 0.00 H new ATOM 0 HB3 HIS A 95 16.700 -17.300 12.939 1.00 0.00 H new ATOM 0 HD2 HIS A 95 16.225 -20.009 11.561 1.00 0.00 H new ATOM 0 HE1 HIS A 95 19.081 -18.965 8.610 1.00 0.00 H new ATOM 0 HE2 HIS A 95 17.780 -20.880 9.659 1.00 0.00 H new ATOM 1483 N HIS A 96 13.484 -16.770 13.678 1.00 0.00 N ATOM 1484 CA HIS A 96 12.759 -16.117 14.770 1.00 0.00 C ATOM 1485 C HIS A 96 11.766 -15.105 14.198 1.00 0.00 C ATOM 1486 O HIS A 96 11.688 -14.909 12.985 1.00 0.00 O ATOM 1487 CB HIS A 96 13.707 -15.418 15.764 1.00 0.00 C ATOM 1488 CG HIS A 96 14.691 -16.327 16.452 1.00 0.00 C ATOM 1489 ND1 HIS A 96 14.547 -16.752 17.756 1.00 0.00 N ATOM 1490 CD2 HIS A 96 15.864 -16.849 16.022 1.00 0.00 C ATOM 1491 CE1 HIS A 96 15.583 -17.494 18.093 1.00 0.00 C ATOM 1492 NE2 HIS A 96 16.402 -17.570 17.063 1.00 0.00 N ATOM 0 H HIS A 96 13.254 -17.757 13.563 1.00 0.00 H new ATOM 0 HA HIS A 96 12.226 -16.892 15.320 1.00 0.00 H new ATOM 0 HB2 HIS A 96 14.261 -14.644 15.232 1.00 0.00 H new ATOM 0 HB3 HIS A 96 13.107 -14.916 16.523 1.00 0.00 H new ATOM 0 HD2 HIS A 96 16.298 -16.723 15.041 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.736 -17.962 19.054 1.00 0.00 H new ATOM 0 HE2 HIS A 96 17.286 -18.078 17.041 1.00 0.00 H new ATOM 1501 N HIS A 97 11.001 -14.474 15.072 1.00 0.00 N ATOM 1502 CA HIS A 97 10.045 -13.454 14.654 1.00 0.00 C ATOM 1503 C HIS A 97 9.861 -12.446 15.778 1.00 0.00 C ATOM 1504 O HIS A 97 8.763 -11.946 16.013 1.00 0.00 O ATOM 1505 CB HIS A 97 8.698 -14.088 14.245 1.00 0.00 C ATOM 1506 CG HIS A 97 7.927 -14.735 15.361 1.00 0.00 C ATOM 1507 ND1 HIS A 97 6.831 -14.149 15.954 1.00 0.00 N ATOM 1508 CD2 HIS A 97 8.085 -15.931 15.973 1.00 0.00 C ATOM 1509 CE1 HIS A 97 6.347 -14.954 16.880 1.00 0.00 C ATOM 1510 NE2 HIS A 97 7.090 -16.043 16.912 1.00 0.00 N ATOM 0 H HIS A 97 11.021 -14.648 16.077 1.00 0.00 H new ATOM 0 HA HIS A 97 10.435 -12.938 13.777 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.074 -13.316 13.794 1.00 0.00 H new ATOM 0 HB3 HIS A 97 8.886 -14.836 13.475 1.00 0.00 H new ATOM 0 HD2 HIS A 97 8.852 -16.662 15.762 1.00 0.00 H new ATOM 0 HE1 HIS A 97 5.489 -14.755 17.505 1.00 0.00 H new ATOM 0 HE2 HIS A 97 6.948 -16.839 17.534 1.00 0.00 H new ATOM 1519 N HIS A 98 10.978 -12.128 16.437 1.00 0.00 N ATOM 1520 CA HIS A 98 10.978 -11.314 17.655 1.00 0.00 C ATOM 1521 C HIS A 98 10.234 -12.056 18.760 1.00 0.00 C ATOM 1522 O HIS A 98 10.824 -12.872 19.474 1.00 0.00 O ATOM 1523 CB HIS A 98 10.348 -9.923 17.424 1.00 0.00 C ATOM 1524 CG HIS A 98 11.071 -9.061 16.426 1.00 0.00 C ATOM 1525 ND1 HIS A 98 10.778 -7.725 16.236 1.00 0.00 N ATOM 1526 CD2 HIS A 98 12.069 -9.349 15.556 1.00 0.00 C ATOM 1527 CE1 HIS A 98 11.562 -7.235 15.292 1.00 0.00 C ATOM 1528 NE2 HIS A 98 12.352 -8.198 14.866 1.00 0.00 N ATOM 0 H HIS A 98 11.907 -12.427 16.142 1.00 0.00 H new ATOM 0 HA HIS A 98 12.014 -11.150 17.951 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.319 -10.057 17.090 1.00 0.00 H new ATOM 0 HB3 HIS A 98 10.307 -9.395 18.377 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.552 -10.307 15.429 1.00 0.00 H new ATOM 0 HE1 HIS A 98 11.556 -6.217 14.931 1.00 0.00 H new ATOM 0 HE2 HIS A 98 13.061 -8.103 14.139 1.00 0.00 H new ATOM 1537 N HIS A 99 8.935 -11.794 18.863 1.00 0.00 N ATOM 1538 CA HIS A 99 8.053 -12.487 19.792 1.00 0.00 C ATOM 1539 C HIS A 99 6.636 -11.952 19.635 1.00 0.00 C ATOM 1540 O HIS A 99 6.273 -11.003 20.354 1.00 0.00 O ATOM 1541 CB HIS A 99 8.524 -12.323 21.244 1.00 0.00 C ATOM 1542 CG HIS A 99 7.698 -13.082 22.241 1.00 0.00 C ATOM 1543 ND1 HIS A 99 7.613 -12.731 23.567 1.00 0.00 N ATOM 1544 CD2 HIS A 99 6.915 -14.180 22.095 1.00 0.00 C ATOM 1545 CE1 HIS A 99 6.820 -13.578 24.194 1.00 0.00 C ATOM 1546 NE2 HIS A 99 6.380 -14.468 23.325 1.00 0.00 N ATOM 1547 OXT HIS A 99 5.900 -12.472 18.774 1.00 0.00 O ATOM 0 H HIS A 99 8.462 -11.088 18.298 1.00 0.00 H new ATOM 0 HA HIS A 99 8.074 -13.552 19.559 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.560 -12.653 21.319 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.507 -11.265 21.504 1.00 0.00 H new ATOM 0 HD2 HIS A 99 6.744 -14.727 21.179 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.572 -13.548 25.245 1.00 0.00 H new ATOM 0 HE2 HIS A 99 5.748 -15.241 23.533 1.00 0.00 H new TER 1556 HIS A 99