USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 746 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 72 ASN : amide:sc= -2.11 X(o=-1.8,f=-2.2) USER MOD Set 1.2: A 82 THR OG1 : rot 88:sc= 0.264 USER MOD Set 2.1: A 3 GLN : amide:sc= -0.0097 X(o=-0.0097,f=-0.072) USER MOD Set 2.2: A 36 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0771) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0319 (180deg=-0.102) USER MOD Single : A 2 LYS NZ :NH3+ -131:sc= 0.631 (180deg=-0.989) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.335 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 54:sc= 0.496 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.067) USER MOD Single : A 20 ASN : amide:sc= -2.32! K(o=-2.3!,f=-1.2) USER MOD Single : A 25 MET CE :methyl 164:sc= -2.01 (180deg=-3.03!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.796 X(o=-0.8,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00792) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= -0.0718 (180deg=-0.371) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 55 THR OG1 : rot 68:sc= 1.09 USER MOD Single : A 56 THR OG1 : rot 160:sc= 0.0682 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -100:sc= 0.572 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.68 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.245 K(o=-0.24,f=-1.8) USER MOD Single : A 75 THR OG1 : rot -39:sc= -0.148 USER MOD Single : A 83 LYS NZ :NH3+ -108:sc= -3.74! (180deg=-5.03!) USER MOD Single : A 84 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.045) USER MOD Single : A 85 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.067) USER MOD Single : A 88 THR OG1 : rot 72:sc= 1.26 USER MOD Single : A 91 GLN : amide:sc= -2.97 K(o=-3,f=-3.8!) USER MOD Single : A 92 LYS NZ :NH3+ 150:sc= -2.05! (180deg=-2.54!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.762 0.167 0.174 1.00 65.12 N ATOM 2 CA MET A 1 2.352 -0.077 -1.137 1.00 42.15 C ATOM 3 C MET A 1 3.267 -1.297 -1.104 1.00 30.01 C ATOM 4 O MET A 1 3.907 -1.579 -0.090 1.00 52.53 O ATOM 5 CB MET A 1 3.137 1.151 -1.604 1.00 21.24 C ATOM 6 CG MET A 1 2.253 2.312 -2.028 1.00 50.13 C ATOM 7 SD MET A 1 3.177 3.845 -2.247 1.00 61.23 S ATOM 8 CE MET A 1 4.158 3.445 -3.692 1.00 1.24 C ATOM 0 H1 MET A 1 0.745 -0.050 0.143 1.00 65.12 H new ATOM 0 H2 MET A 1 2.224 -0.440 0.881 1.00 65.12 H new ATOM 0 H3 MET A 1 1.895 1.165 0.434 1.00 65.12 H new ATOM 0 HA MET A 1 1.542 -0.271 -1.841 1.00 42.15 H new ATOM 0 HB2 MET A 1 3.794 1.480 -0.799 1.00 21.24 H new ATOM 0 HB3 MET A 1 3.776 0.867 -2.440 1.00 21.24 H new ATOM 0 HG2 MET A 1 1.750 2.059 -2.961 1.00 50.13 H new ATOM 0 HG3 MET A 1 1.476 2.464 -1.279 1.00 50.13 H new ATOM 0 HE1 MET A 1 4.677 4.339 -4.038 1.00 1.24 H new ATOM 0 HE2 MET A 1 4.888 2.678 -3.435 1.00 1.24 H new ATOM 0 HE3 MET A 1 3.506 3.075 -4.483 1.00 1.24 H new ATOM 18 N LYS A 2 3.324 -2.019 -2.218 1.00 3.11 N ATOM 19 CA LYS A 2 4.161 -3.209 -2.317 1.00 42.31 C ATOM 20 C LYS A 2 5.156 -3.080 -3.466 1.00 42.21 C ATOM 21 O LYS A 2 4.933 -3.611 -4.554 1.00 2.43 O ATOM 22 CB LYS A 2 3.293 -4.453 -2.517 1.00 40.14 C ATOM 23 CG LYS A 2 2.290 -4.681 -1.400 1.00 10.01 C ATOM 24 CD LYS A 2 2.966 -5.197 -0.141 1.00 32.42 C ATOM 25 CE LYS A 2 3.423 -6.639 -0.305 1.00 12.24 C ATOM 26 NZ LYS A 2 3.789 -7.256 1.000 1.00 32.41 N ATOM 0 H LYS A 2 2.800 -1.801 -3.066 1.00 3.11 H new ATOM 0 HA LYS A 2 4.719 -3.309 -1.386 1.00 42.31 H new ATOM 0 HB2 LYS A 2 2.757 -4.364 -3.462 1.00 40.14 H new ATOM 0 HB3 LYS A 2 3.939 -5.327 -2.598 1.00 40.14 H new ATOM 0 HG2 LYS A 2 1.771 -3.748 -1.179 1.00 10.01 H new ATOM 0 HG3 LYS A 2 1.535 -5.396 -1.728 1.00 10.01 H new ATOM 0 HD2 LYS A 2 3.823 -4.567 0.097 1.00 32.42 H new ATOM 0 HD3 LYS A 2 2.275 -5.126 0.699 1.00 32.42 H new ATOM 0 HE2 LYS A 2 2.628 -7.221 -0.772 1.00 12.24 H new ATOM 0 HE3 LYS A 2 4.281 -6.674 -0.977 1.00 12.24 H new ATOM 0 HZ1 LYS A 2 4.717 -7.719 0.917 1.00 32.41 H new ATOM 0 HZ2 LYS A 2 3.834 -6.519 1.732 1.00 32.41 H new ATOM 0 HZ3 LYS A 2 3.072 -7.962 1.263 1.00 32.41 H new ATOM 40 N GLN A 3 6.254 -2.373 -3.216 1.00 73.10 N ATOM 41 CA GLN A 3 7.282 -2.176 -4.230 1.00 65.14 C ATOM 42 C GLN A 3 7.883 -3.510 -4.662 1.00 45.32 C ATOM 43 O GLN A 3 8.723 -4.079 -3.965 1.00 1.03 O ATOM 44 CB GLN A 3 8.383 -1.256 -3.699 1.00 54.53 C ATOM 45 CG GLN A 3 9.310 -0.728 -4.782 1.00 52.12 C ATOM 46 CD GLN A 3 10.289 0.305 -4.260 1.00 13.10 C ATOM 47 OE1 GLN A 3 9.897 1.280 -3.617 1.00 73.34 O ATOM 48 NE2 GLN A 3 11.571 0.097 -4.534 1.00 4.14 N ATOM 0 H GLN A 3 6.454 -1.928 -2.320 1.00 73.10 H new ATOM 0 HA GLN A 3 6.816 -1.710 -5.098 1.00 65.14 H new ATOM 0 HB2 GLN A 3 7.923 -0.413 -3.183 1.00 54.53 H new ATOM 0 HB3 GLN A 3 8.973 -1.798 -2.960 1.00 54.53 H new ATOM 0 HG2 GLN A 3 9.863 -1.560 -5.218 1.00 52.12 H new ATOM 0 HG3 GLN A 3 8.714 -0.287 -5.581 1.00 52.12 H new ATOM 0 HE21 GLN A 3 11.851 -0.724 -5.070 1.00 4.14 H new ATOM 0 HE22 GLN A 3 12.276 0.759 -4.209 1.00 4.14 H new ATOM 57 N VAL A 4 7.448 -4.003 -5.817 1.00 32.40 N ATOM 58 CA VAL A 4 7.943 -5.270 -6.343 1.00 2.15 C ATOM 59 C VAL A 4 8.829 -5.049 -7.563 1.00 62.34 C ATOM 60 O VAL A 4 8.553 -4.186 -8.397 1.00 55.13 O ATOM 61 CB VAL A 4 6.785 -6.210 -6.726 1.00 20.25 C ATOM 62 CG1 VAL A 4 7.315 -7.585 -7.102 1.00 24.22 C ATOM 63 CG2 VAL A 4 5.782 -6.310 -5.587 1.00 34.15 C ATOM 0 H VAL A 4 6.754 -3.544 -6.407 1.00 32.40 H new ATOM 0 HA VAL A 4 8.530 -5.734 -5.550 1.00 2.15 H new ATOM 0 HB VAL A 4 6.274 -5.794 -7.595 1.00 20.25 H new ATOM 0 HG11 VAL A 4 6.482 -8.235 -7.370 1.00 24.22 H new ATOM 0 HG12 VAL A 4 7.992 -7.494 -7.951 1.00 24.22 H new ATOM 0 HG13 VAL A 4 7.851 -8.012 -6.255 1.00 24.22 H new ATOM 0 HG21 VAL A 4 4.970 -6.978 -5.875 1.00 34.15 H new ATOM 0 HG22 VAL A 4 6.278 -6.702 -4.699 1.00 34.15 H new ATOM 0 HG23 VAL A 4 5.378 -5.321 -5.370 1.00 34.15 H new ATOM 73 N LEU A 5 9.895 -5.835 -7.663 1.00 65.34 N ATOM 74 CA LEU A 5 10.824 -5.727 -8.784 1.00 15.03 C ATOM 75 C LEU A 5 10.472 -6.727 -9.880 1.00 65.43 C ATOM 76 O LEU A 5 9.582 -7.561 -9.713 1.00 52.31 O ATOM 77 CB LEU A 5 12.259 -5.958 -8.307 1.00 35.10 C ATOM 78 CG LEU A 5 12.880 -4.833 -7.478 1.00 72.31 C ATOM 79 CD1 LEU A 5 14.311 -5.179 -7.097 1.00 40.23 C ATOM 80 CD2 LEU A 5 12.832 -3.518 -8.243 1.00 31.44 C ATOM 0 H LEU A 5 10.138 -6.554 -6.982 1.00 65.34 H new ATOM 0 HA LEU A 5 10.743 -4.721 -9.196 1.00 15.03 H new ATOM 0 HB2 LEU A 5 12.281 -6.873 -7.715 1.00 35.10 H new ATOM 0 HB3 LEU A 5 12.888 -6.128 -9.181 1.00 35.10 H new ATOM 0 HG LEU A 5 12.300 -4.719 -6.562 1.00 72.31 H new ATOM 0 HD11 LEU A 5 14.737 -4.367 -6.507 1.00 40.23 H new ATOM 0 HD12 LEU A 5 14.319 -6.097 -6.510 1.00 40.23 H new ATOM 0 HD13 LEU A 5 14.904 -5.321 -8.001 1.00 40.23 H new ATOM 0 HD21 LEU A 5 13.278 -2.729 -7.638 1.00 31.44 H new ATOM 0 HD22 LEU A 5 13.388 -3.619 -9.175 1.00 31.44 H new ATOM 0 HD23 LEU A 5 11.796 -3.264 -8.464 1.00 31.44 H new ATOM 92 N VAL A 6 11.180 -6.641 -11.002 1.00 41.52 N ATOM 93 CA VAL A 6 10.946 -7.540 -12.125 1.00 71.14 C ATOM 94 C VAL A 6 12.226 -7.771 -12.921 1.00 31.34 C ATOM 95 O VAL A 6 12.521 -7.042 -13.867 1.00 21.02 O ATOM 96 CB VAL A 6 9.861 -6.989 -13.069 1.00 53.23 C ATOM 97 CG1 VAL A 6 9.656 -7.924 -14.252 1.00 10.44 C ATOM 98 CG2 VAL A 6 8.557 -6.776 -12.315 1.00 31.51 C ATOM 0 H VAL A 6 11.921 -5.957 -11.157 1.00 41.52 H new ATOM 0 HA VAL A 6 10.606 -8.487 -11.706 1.00 71.14 H new ATOM 0 HB VAL A 6 10.194 -6.025 -13.453 1.00 53.23 H new ATOM 0 HG11 VAL A 6 8.886 -7.518 -14.908 1.00 10.44 H new ATOM 0 HG12 VAL A 6 10.590 -8.020 -14.806 1.00 10.44 H new ATOM 0 HG13 VAL A 6 9.345 -8.905 -13.891 1.00 10.44 H new ATOM 0 HG21 VAL A 6 7.802 -6.386 -12.997 1.00 31.51 H new ATOM 0 HG22 VAL A 6 8.217 -7.725 -11.901 1.00 31.51 H new ATOM 0 HG23 VAL A 6 8.717 -6.064 -11.506 1.00 31.51 H new ATOM 108 N ALA A 7 12.983 -8.792 -12.530 1.00 14.41 N ATOM 109 CA ALA A 7 14.230 -9.121 -13.208 1.00 2.02 C ATOM 110 C ALA A 7 14.109 -10.435 -13.972 1.00 43.23 C ATOM 111 O ALA A 7 14.084 -11.512 -13.375 1.00 11.52 O ATOM 112 CB ALA A 7 15.372 -9.195 -12.205 1.00 42.30 C ATOM 0 H ALA A 7 12.754 -9.405 -11.747 1.00 14.41 H new ATOM 0 HA ALA A 7 14.443 -8.331 -13.928 1.00 2.02 H new ATOM 0 HB1 ALA A 7 16.298 -9.442 -12.725 1.00 42.30 H new ATOM 0 HB2 ALA A 7 15.481 -8.232 -11.706 1.00 42.30 H new ATOM 0 HB3 ALA A 7 15.156 -9.965 -11.464 1.00 42.30 H new ATOM 118 N CYS A 8 14.034 -10.339 -15.295 1.00 65.31 N ATOM 119 CA CYS A 8 13.915 -11.521 -16.141 1.00 75.24 C ATOM 120 C CYS A 8 15.282 -11.966 -16.651 1.00 54.11 C ATOM 121 O CYS A 8 16.201 -11.158 -16.779 1.00 75.24 O ATOM 122 CB CYS A 8 12.985 -11.237 -17.322 1.00 14.43 C ATOM 123 SG CYS A 8 11.275 -10.890 -16.847 1.00 54.03 S ATOM 0 H CYS A 8 14.053 -9.456 -15.805 1.00 65.31 H new ATOM 0 HA CYS A 8 13.492 -12.326 -15.540 1.00 75.24 H new ATOM 0 HB2 CYS A 8 13.375 -10.387 -17.882 1.00 14.43 H new ATOM 0 HB3 CYS A 8 12.997 -12.094 -17.995 1.00 14.43 H new ATOM 0 HG CYS A 8 10.567 -10.660 -17.913 1.00 54.03 H new ATOM 129 N GLY A 9 15.409 -13.258 -16.939 1.00 13.11 N ATOM 130 CA GLY A 9 16.667 -13.788 -17.429 1.00 63.23 C ATOM 131 C GLY A 9 16.688 -13.929 -18.938 1.00 63.44 C ATOM 132 O GLY A 9 16.412 -15.003 -19.472 1.00 24.51 O ATOM 0 H GLY A 9 14.663 -13.947 -16.842 1.00 13.11 H new ATOM 0 HA2 GLY A 9 17.480 -13.132 -17.117 1.00 63.23 H new ATOM 0 HA3 GLY A 9 16.850 -14.761 -16.974 1.00 63.23 H new ATOM 136 N ALA A 10 17.015 -12.842 -19.628 1.00 51.54 N ATOM 137 CA ALA A 10 17.071 -12.849 -21.085 1.00 11.01 C ATOM 138 C ALA A 10 18.453 -12.441 -21.583 1.00 62.13 C ATOM 139 O ALA A 10 19.039 -13.109 -22.434 1.00 61.12 O ATOM 140 CB ALA A 10 16.007 -11.925 -21.659 1.00 0.13 C ATOM 0 H ALA A 10 17.245 -11.945 -19.202 1.00 51.54 H new ATOM 0 HA ALA A 10 16.876 -13.866 -21.426 1.00 11.01 H new ATOM 0 HB1 ALA A 10 16.061 -11.940 -22.748 1.00 0.13 H new ATOM 0 HB2 ALA A 10 15.021 -12.263 -21.339 1.00 0.13 H new ATOM 0 HB3 ALA A 10 16.176 -10.909 -21.302 1.00 0.13 H new ATOM 146 N GLY A 11 18.969 -11.339 -21.047 1.00 42.15 N ATOM 147 CA GLY A 11 20.279 -10.861 -21.451 1.00 54.21 C ATOM 148 C GLY A 11 20.211 -9.917 -22.635 1.00 45.13 C ATOM 149 O GLY A 11 20.716 -8.795 -22.573 1.00 31.34 O ATOM 0 H GLY A 11 18.504 -10.769 -20.341 1.00 42.15 H new ATOM 0 HA2 GLY A 11 20.752 -10.352 -20.611 1.00 54.21 H new ATOM 0 HA3 GLY A 11 20.911 -11.712 -21.705 1.00 54.21 H new ATOM 153 N ILE A 12 19.589 -10.371 -23.718 1.00 30.44 N ATOM 154 CA ILE A 12 19.459 -9.559 -24.921 1.00 31.31 C ATOM 155 C ILE A 12 18.041 -9.016 -25.067 1.00 64.52 C ATOM 156 O ILE A 12 17.844 -7.836 -25.352 1.00 3.55 O ATOM 157 CB ILE A 12 19.822 -10.362 -26.184 1.00 71.30 C ATOM 158 CG1 ILE A 12 21.251 -10.899 -26.081 1.00 1.24 C ATOM 159 CG2 ILE A 12 19.664 -9.497 -27.425 1.00 74.24 C ATOM 160 CD1 ILE A 12 22.290 -9.816 -25.889 1.00 23.51 C ATOM 0 H ILE A 12 19.167 -11.297 -23.787 1.00 30.44 H new ATOM 0 HA ILE A 12 20.155 -8.727 -24.817 1.00 31.31 H new ATOM 0 HB ILE A 12 19.141 -11.209 -26.266 1.00 71.30 H new ATOM 0 HG12 ILE A 12 21.309 -11.599 -25.247 1.00 1.24 H new ATOM 0 HG13 ILE A 12 21.486 -11.461 -26.985 1.00 1.24 H new ATOM 0 HG21 ILE A 12 19.924 -10.079 -28.309 1.00 74.24 H new ATOM 0 HG22 ILE A 12 18.631 -9.159 -27.504 1.00 74.24 H new ATOM 0 HG23 ILE A 12 20.324 -8.632 -27.352 1.00 74.24 H new ATOM 0 HD11 ILE A 12 23.280 -10.269 -25.824 1.00 23.51 H new ATOM 0 HD12 ILE A 12 22.260 -9.129 -26.735 1.00 23.51 H new ATOM 0 HD13 ILE A 12 22.080 -9.269 -24.970 1.00 23.51 H new ATOM 172 N ALA A 13 17.057 -9.887 -24.869 1.00 71.00 N ATOM 173 CA ALA A 13 15.657 -9.494 -24.975 1.00 22.41 C ATOM 174 C ALA A 13 15.286 -8.486 -23.893 1.00 24.25 C ATOM 175 O ALA A 13 16.120 -8.108 -23.069 1.00 23.32 O ATOM 176 CB ALA A 13 14.758 -10.719 -24.889 1.00 13.40 C ATOM 0 H ALA A 13 17.203 -10.869 -24.634 1.00 71.00 H new ATOM 0 HA ALA A 13 15.511 -9.017 -25.944 1.00 22.41 H new ATOM 0 HB1 ALA A 13 13.715 -10.412 -24.969 1.00 13.40 H new ATOM 0 HB2 ALA A 13 14.998 -11.404 -25.702 1.00 13.40 H new ATOM 0 HB3 ALA A 13 14.916 -11.220 -23.934 1.00 13.40 H new ATOM 182 N THR A 14 14.030 -8.052 -23.900 1.00 33.44 N ATOM 183 CA THR A 14 13.549 -7.086 -22.920 1.00 21.41 C ATOM 184 C THR A 14 12.359 -7.637 -22.143 1.00 21.34 C ATOM 185 O THR A 14 11.514 -8.339 -22.698 1.00 30.10 O ATOM 186 CB THR A 14 13.140 -5.761 -23.591 1.00 25.51 C ATOM 187 OG1 THR A 14 14.177 -5.320 -24.475 1.00 72.21 O ATOM 188 CG2 THR A 14 12.866 -4.689 -22.548 1.00 11.31 C ATOM 0 H THR A 14 13.327 -8.354 -24.574 1.00 33.44 H new ATOM 0 HA THR A 14 14.373 -6.897 -22.232 1.00 21.41 H new ATOM 0 HB THR A 14 12.227 -5.933 -24.160 1.00 25.51 H new ATOM 0 HG1 THR A 14 13.909 -4.478 -24.899 1.00 72.21 H new ATOM 0 HG21 THR A 14 12.579 -3.762 -23.045 1.00 11.31 H new ATOM 0 HG22 THR A 14 12.057 -5.016 -21.894 1.00 11.31 H new ATOM 0 HG23 THR A 14 13.765 -4.519 -21.956 1.00 11.31 H new ATOM 196 N SER A 15 12.299 -7.314 -20.855 1.00 33.44 N ATOM 197 CA SER A 15 11.213 -7.780 -20.000 1.00 32.00 C ATOM 198 C SER A 15 10.041 -6.803 -20.030 1.00 21.34 C ATOM 199 O SER A 15 9.765 -6.116 -19.046 1.00 14.02 O ATOM 200 CB SER A 15 11.707 -7.958 -18.563 1.00 51.00 C ATOM 201 OG SER A 15 12.210 -6.740 -18.042 1.00 42.13 O ATOM 0 H SER A 15 12.989 -6.732 -20.381 1.00 33.44 H new ATOM 0 HA SER A 15 10.871 -8.743 -20.381 1.00 32.00 H new ATOM 0 HB2 SER A 15 10.890 -8.316 -17.936 1.00 51.00 H new ATOM 0 HB3 SER A 15 12.487 -8.719 -18.535 1.00 51.00 H new ATOM 0 HG SER A 15 11.534 -6.037 -18.143 1.00 42.13 H new ATOM 207 N THR A 16 9.354 -6.747 -21.167 1.00 4.04 N ATOM 208 CA THR A 16 8.213 -5.855 -21.327 1.00 3.42 C ATOM 209 C THR A 16 6.898 -6.613 -21.189 1.00 24.32 C ATOM 210 O THR A 16 5.952 -6.128 -20.569 1.00 1.03 O ATOM 211 CB THR A 16 8.243 -5.145 -22.694 1.00 35.22 C ATOM 212 OG1 THR A 16 9.587 -4.784 -23.030 1.00 31.32 O ATOM 213 CG2 THR A 16 7.367 -3.901 -22.677 1.00 24.04 C ATOM 0 H THR A 16 9.568 -7.309 -21.991 1.00 4.04 H new ATOM 0 HA THR A 16 8.282 -5.108 -20.536 1.00 3.42 H new ATOM 0 HB THR A 16 7.855 -5.833 -23.444 1.00 35.22 H new ATOM 0 HG1 THR A 16 9.597 -4.335 -23.901 1.00 31.32 H new ATOM 0 HG21 THR A 16 7.404 -3.417 -23.653 1.00 24.04 H new ATOM 0 HG22 THR A 16 6.339 -4.183 -22.451 1.00 24.04 H new ATOM 0 HG23 THR A 16 7.730 -3.211 -21.915 1.00 24.04 H new ATOM 221 N VAL A 17 6.846 -7.808 -21.770 1.00 54.53 N ATOM 222 CA VAL A 17 5.646 -8.635 -21.710 1.00 44.34 C ATOM 223 C VAL A 17 5.171 -8.811 -20.272 1.00 44.45 C ATOM 224 O VAL A 17 4.025 -8.506 -19.944 1.00 74.23 O ATOM 225 CB VAL A 17 5.890 -10.022 -22.332 1.00 62.54 C ATOM 226 CG1 VAL A 17 4.635 -10.877 -22.240 1.00 62.03 C ATOM 227 CG2 VAL A 17 6.347 -9.886 -23.777 1.00 2.41 C ATOM 0 H VAL A 17 7.620 -8.225 -22.287 1.00 54.53 H new ATOM 0 HA VAL A 17 4.876 -8.118 -22.283 1.00 44.34 H new ATOM 0 HB VAL A 17 6.681 -10.518 -21.770 1.00 62.54 H new ATOM 0 HG11 VAL A 17 4.827 -11.854 -22.685 1.00 62.03 H new ATOM 0 HG12 VAL A 17 4.356 -11.003 -21.194 1.00 62.03 H new ATOM 0 HG13 VAL A 17 3.821 -10.388 -22.776 1.00 62.03 H new ATOM 0 HG21 VAL A 17 6.515 -10.876 -24.200 1.00 2.41 H new ATOM 0 HG22 VAL A 17 5.580 -9.370 -24.354 1.00 2.41 H new ATOM 0 HG23 VAL A 17 7.274 -9.314 -23.813 1.00 2.41 H new ATOM 237 N VAL A 18 6.061 -9.304 -19.417 1.00 45.02 N ATOM 238 CA VAL A 18 5.734 -9.519 -18.013 1.00 23.32 C ATOM 239 C VAL A 18 5.139 -8.263 -17.388 1.00 51.52 C ATOM 240 O VAL A 18 3.988 -8.259 -16.953 1.00 42.23 O ATOM 241 CB VAL A 18 6.976 -9.942 -17.206 1.00 3.45 C ATOM 242 CG1 VAL A 18 6.621 -10.133 -15.739 1.00 54.40 C ATOM 243 CG2 VAL A 18 7.582 -11.211 -17.785 1.00 51.25 C ATOM 0 H VAL A 18 7.014 -9.562 -19.672 1.00 45.02 H new ATOM 0 HA VAL A 18 4.997 -10.321 -17.979 1.00 23.32 H new ATOM 0 HB VAL A 18 7.719 -9.148 -17.275 1.00 3.45 H new ATOM 0 HG11 VAL A 18 7.511 -10.432 -15.185 1.00 54.40 H new ATOM 0 HG12 VAL A 18 6.238 -9.197 -15.333 1.00 54.40 H new ATOM 0 HG13 VAL A 18 5.859 -10.907 -15.647 1.00 54.40 H new ATOM 0 HG21 VAL A 18 8.458 -11.495 -17.202 1.00 51.25 H new ATOM 0 HG22 VAL A 18 6.847 -12.015 -17.749 1.00 51.25 H new ATOM 0 HG23 VAL A 18 7.876 -11.035 -18.820 1.00 51.25 H new ATOM 253 N ASN A 19 5.931 -7.196 -17.348 1.00 21.12 N ATOM 254 CA ASN A 19 5.482 -5.932 -16.776 1.00 43.31 C ATOM 255 C ASN A 19 4.133 -5.520 -17.358 1.00 44.01 C ATOM 256 O ASN A 19 3.182 -5.260 -16.623 1.00 20.42 O ATOM 257 CB ASN A 19 6.518 -4.835 -17.034 1.00 72.31 C ATOM 258 CG ASN A 19 5.912 -3.446 -16.989 1.00 10.21 C ATOM 259 OD1 ASN A 19 6.123 -2.635 -17.891 1.00 74.01 O ATOM 260 ND2 ASN A 19 5.155 -3.165 -15.935 1.00 10.43 N ATOM 0 H ASN A 19 6.886 -7.182 -17.705 1.00 21.12 H new ATOM 0 HA ASN A 19 5.367 -6.069 -15.701 1.00 43.31 H new ATOM 0 HB2 ASN A 19 7.312 -4.906 -16.290 1.00 72.31 H new ATOM 0 HB3 ASN A 19 6.979 -4.996 -18.009 1.00 72.31 H new ATOM 0 HD21 ASN A 19 4.721 -2.246 -15.849 1.00 10.43 H new ATOM 0 HD22 ASN A 19 5.007 -3.868 -15.211 1.00 10.43 H new ATOM 267 N ASN A 20 4.060 -5.463 -18.684 1.00 34.30 N ATOM 268 CA ASN A 20 2.827 -5.083 -19.365 1.00 65.24 C ATOM 269 C ASN A 20 1.675 -5.994 -18.953 1.00 51.13 C ATOM 270 O ASN A 20 0.510 -5.599 -19.001 1.00 45.32 O ATOM 271 CB ASN A 20 3.020 -5.141 -20.882 1.00 43.41 C ATOM 272 CG ASN A 20 3.638 -3.871 -21.435 1.00 10.42 C ATOM 273 OD1 ASN A 20 3.042 -3.190 -22.270 1.00 3.11 O ATOM 274 ND2 ASN A 20 4.839 -3.546 -20.970 1.00 12.01 N ATOM 0 H ASN A 20 4.839 -5.675 -19.308 1.00 34.30 H new ATOM 0 HA ASN A 20 2.581 -4.062 -19.075 1.00 65.24 H new ATOM 0 HB2 ASN A 20 3.656 -5.990 -21.132 1.00 43.41 H new ATOM 0 HB3 ASN A 20 2.056 -5.312 -21.362 1.00 43.41 H new ATOM 0 HD21 ASN A 20 5.304 -2.702 -21.305 1.00 12.01 H new ATOM 0 HD22 ASN A 20 5.296 -4.140 -20.278 1.00 12.01 H new ATOM 281 N ALA A 21 2.008 -7.215 -18.548 1.00 5.11 N ATOM 282 CA ALA A 21 1.002 -8.181 -18.125 1.00 3.22 C ATOM 283 C ALA A 21 0.614 -7.965 -16.666 1.00 74.51 C ATOM 284 O ALA A 21 -0.539 -8.170 -16.285 1.00 31.35 O ATOM 285 CB ALA A 21 1.512 -9.599 -18.333 1.00 72.34 C ATOM 0 H ALA A 21 2.967 -7.559 -18.504 1.00 5.11 H new ATOM 0 HA ALA A 21 0.112 -8.034 -18.737 1.00 3.22 H new ATOM 0 HB1 ALA A 21 0.751 -10.310 -18.013 1.00 72.34 H new ATOM 0 HB2 ALA A 21 1.733 -9.755 -19.389 1.00 72.34 H new ATOM 0 HB3 ALA A 21 2.418 -9.749 -17.746 1.00 72.34 H new ATOM 291 N ILE A 22 1.582 -7.552 -15.855 1.00 71.35 N ATOM 292 CA ILE A 22 1.340 -7.309 -14.439 1.00 32.22 C ATOM 293 C ILE A 22 0.605 -5.990 -14.225 1.00 73.42 C ATOM 294 O ILE A 22 -0.292 -5.897 -13.387 1.00 63.44 O ATOM 295 CB ILE A 22 2.656 -7.286 -13.639 1.00 14.03 C ATOM 296 CG1 ILE A 22 3.364 -8.638 -13.741 1.00 30.30 C ATOM 297 CG2 ILE A 22 2.385 -6.932 -12.184 1.00 33.40 C ATOM 298 CD1 ILE A 22 2.527 -9.798 -13.247 1.00 3.41 C ATOM 0 H ILE A 22 2.541 -7.379 -16.155 1.00 71.35 H new ATOM 0 HA ILE A 22 0.720 -8.130 -14.079 1.00 32.22 H new ATOM 0 HB ILE A 22 3.309 -6.523 -14.063 1.00 14.03 H new ATOM 0 HG12 ILE A 22 3.640 -8.817 -14.780 1.00 30.30 H new ATOM 0 HG13 ILE A 22 4.290 -8.598 -13.167 1.00 30.30 H new ATOM 0 HG21 ILE A 22 3.324 -6.920 -11.631 1.00 33.40 H new ATOM 0 HG22 ILE A 22 1.919 -5.948 -12.130 1.00 33.40 H new ATOM 0 HG23 ILE A 22 1.717 -7.674 -11.747 1.00 33.40 H new ATOM 0 HD11 ILE A 22 3.092 -10.724 -13.349 1.00 3.41 H new ATOM 0 HD12 ILE A 22 2.272 -9.642 -12.199 1.00 3.41 H new ATOM 0 HD13 ILE A 22 1.613 -9.864 -13.837 1.00 3.41 H new ATOM 310 N GLU A 23 0.990 -4.974 -14.990 1.00 53.33 N ATOM 311 CA GLU A 23 0.366 -3.660 -14.885 1.00 13.02 C ATOM 312 C GLU A 23 -1.114 -3.729 -15.252 1.00 21.43 C ATOM 313 O GLU A 23 -1.957 -3.130 -14.586 1.00 12.03 O ATOM 314 CB GLU A 23 1.081 -2.657 -15.792 1.00 51.22 C ATOM 315 CG GLU A 23 1.069 -3.048 -17.260 1.00 55.44 C ATOM 316 CD GLU A 23 -0.101 -2.445 -18.015 1.00 20.24 C ATOM 317 OE1 GLU A 23 -0.141 -2.581 -19.255 1.00 72.52 O ATOM 318 OE2 GLU A 23 -0.976 -1.838 -17.363 1.00 54.43 O ATOM 0 H GLU A 23 1.730 -5.035 -15.689 1.00 53.33 H new ATOM 0 HA GLU A 23 0.451 -3.328 -13.850 1.00 13.02 H new ATOM 0 HB2 GLU A 23 0.611 -1.680 -15.681 1.00 51.22 H new ATOM 0 HB3 GLU A 23 2.114 -2.553 -15.461 1.00 51.22 H new ATOM 0 HG2 GLU A 23 2.001 -2.727 -17.725 1.00 55.44 H new ATOM 0 HG3 GLU A 23 1.029 -4.134 -17.343 1.00 55.44 H new ATOM 325 N GLU A 24 -1.420 -4.465 -16.316 1.00 2.10 N ATOM 326 CA GLU A 24 -2.797 -4.611 -16.772 1.00 70.42 C ATOM 327 C GLU A 24 -3.626 -5.395 -15.758 1.00 64.24 C ATOM 328 O GLU A 24 -4.812 -5.127 -15.570 1.00 43.42 O ATOM 329 CB GLU A 24 -2.836 -5.314 -18.131 1.00 3.10 C ATOM 330 CG GLU A 24 -2.239 -6.711 -18.111 1.00 21.10 C ATOM 331 CD GLU A 24 -2.371 -7.421 -19.444 1.00 42.14 C ATOM 332 OE1 GLU A 24 -1.466 -7.264 -20.291 1.00 71.12 O ATOM 333 OE2 GLU A 24 -3.378 -8.132 -19.642 1.00 23.45 O ATOM 0 H GLU A 24 -0.734 -4.969 -16.878 1.00 2.10 H new ATOM 0 HA GLU A 24 -3.226 -3.614 -16.874 1.00 70.42 H new ATOM 0 HB2 GLU A 24 -3.870 -5.375 -18.470 1.00 3.10 H new ATOM 0 HB3 GLU A 24 -2.297 -4.708 -18.860 1.00 3.10 H new ATOM 0 HG2 GLU A 24 -1.185 -6.648 -17.840 1.00 21.10 H new ATOM 0 HG3 GLU A 24 -2.732 -7.302 -17.339 1.00 21.10 H new ATOM 340 N MET A 25 -2.991 -6.366 -15.109 1.00 14.33 N ATOM 341 CA MET A 25 -3.669 -7.188 -14.114 1.00 33.54 C ATOM 342 C MET A 25 -3.900 -6.404 -12.826 1.00 25.55 C ATOM 343 O MET A 25 -5.024 -6.319 -12.333 1.00 22.25 O ATOM 344 CB MET A 25 -2.852 -8.447 -13.819 1.00 25.52 C ATOM 345 CG MET A 25 -3.044 -9.551 -14.846 1.00 21.30 C ATOM 346 SD MET A 25 -3.245 -11.176 -14.090 1.00 54.12 S ATOM 347 CE MET A 25 -2.617 -12.235 -15.391 1.00 0.20 C ATOM 0 H MET A 25 -2.009 -6.602 -15.254 1.00 14.33 H new ATOM 0 HA MET A 25 -4.638 -7.479 -14.519 1.00 33.54 H new ATOM 0 HB2 MET A 25 -1.795 -8.183 -13.775 1.00 25.52 H new ATOM 0 HB3 MET A 25 -3.127 -8.826 -12.835 1.00 25.52 H new ATOM 0 HG2 MET A 25 -3.920 -9.327 -15.455 1.00 21.30 H new ATOM 0 HG3 MET A 25 -2.186 -9.571 -15.517 1.00 21.30 H new ATOM 0 HE1 MET A 25 -2.408 -13.225 -14.985 1.00 0.20 H new ATOM 0 HE2 MET A 25 -3.360 -12.317 -16.184 1.00 0.20 H new ATOM 0 HE3 MET A 25 -1.700 -11.808 -15.797 1.00 0.20 H new ATOM 357 N ALA A 26 -2.828 -5.834 -12.286 1.00 25.05 N ATOM 358 CA ALA A 26 -2.914 -5.056 -11.056 1.00 42.10 C ATOM 359 C ALA A 26 -4.006 -3.996 -11.152 1.00 72.35 C ATOM 360 O ALA A 26 -4.660 -3.671 -10.161 1.00 71.51 O ATOM 361 CB ALA A 26 -1.573 -4.407 -10.747 1.00 23.55 C ATOM 0 H ALA A 26 -1.890 -5.896 -12.681 1.00 25.05 H new ATOM 0 HA ALA A 26 -3.173 -5.735 -10.244 1.00 42.10 H new ATOM 0 HB1 ALA A 26 -1.652 -3.829 -9.826 1.00 23.55 H new ATOM 0 HB2 ALA A 26 -0.814 -5.180 -10.627 1.00 23.55 H new ATOM 0 HB3 ALA A 26 -1.291 -3.746 -11.567 1.00 23.55 H new ATOM 367 N LYS A 27 -4.199 -3.459 -12.353 1.00 22.45 N ATOM 368 CA LYS A 27 -5.212 -2.436 -12.580 1.00 34.23 C ATOM 369 C LYS A 27 -6.615 -3.014 -12.417 1.00 3.11 C ATOM 370 O LYS A 27 -7.481 -2.397 -11.799 1.00 14.04 O ATOM 371 CB LYS A 27 -5.056 -1.836 -13.979 1.00 1.23 C ATOM 372 CG LYS A 27 -6.370 -1.405 -14.606 1.00 53.21 C ATOM 373 CD LYS A 27 -6.157 -0.348 -15.677 1.00 10.24 C ATOM 374 CE LYS A 27 -5.922 1.025 -15.065 1.00 54.14 C ATOM 375 NZ LYS A 27 -5.054 1.875 -15.927 1.00 35.11 N ATOM 0 H LYS A 27 -3.666 -3.716 -13.184 1.00 22.45 H new ATOM 0 HA LYS A 27 -5.073 -1.651 -11.837 1.00 34.23 H new ATOM 0 HB2 LYS A 27 -4.390 -0.975 -13.924 1.00 1.23 H new ATOM 0 HB3 LYS A 27 -4.577 -2.569 -14.628 1.00 1.23 H new ATOM 0 HG2 LYS A 27 -6.867 -2.271 -15.042 1.00 53.21 H new ATOM 0 HG3 LYS A 27 -7.032 -1.013 -13.833 1.00 53.21 H new ATOM 0 HD2 LYS A 27 -5.303 -0.623 -16.296 1.00 10.24 H new ATOM 0 HD3 LYS A 27 -7.027 -0.312 -16.332 1.00 10.24 H new ATOM 0 HE2 LYS A 27 -6.879 1.523 -14.911 1.00 54.14 H new ATOM 0 HE3 LYS A 27 -5.460 0.911 -14.084 1.00 54.14 H new ATOM 0 HZ1 LYS A 27 -4.918 2.802 -15.476 1.00 35.11 H new ATOM 0 HZ2 LYS A 27 -4.131 1.412 -16.054 1.00 35.11 H new ATOM 0 HZ3 LYS A 27 -5.506 2.005 -16.854 1.00 35.11 H new ATOM 389 N GLU A 28 -6.829 -4.201 -12.975 1.00 32.54 N ATOM 390 CA GLU A 28 -8.127 -4.861 -12.890 1.00 23.43 C ATOM 391 C GLU A 28 -8.523 -5.096 -11.435 1.00 74.30 C ATOM 392 O GLU A 28 -9.699 -5.009 -11.079 1.00 20.44 O ATOM 393 CB GLU A 28 -8.097 -6.193 -13.643 1.00 42.10 C ATOM 394 CG GLU A 28 -9.472 -6.691 -14.053 1.00 74.22 C ATOM 395 CD GLU A 28 -10.256 -5.659 -14.840 1.00 14.55 C ATOM 396 OE1 GLU A 28 -9.784 -5.255 -15.923 1.00 52.10 O ATOM 397 OE2 GLU A 28 -11.341 -5.254 -14.372 1.00 11.11 O ATOM 0 H GLU A 28 -6.122 -4.725 -13.490 1.00 32.54 H new ATOM 0 HA GLU A 28 -8.869 -4.208 -13.350 1.00 23.43 H new ATOM 0 HB2 GLU A 28 -7.479 -6.083 -14.534 1.00 42.10 H new ATOM 0 HB3 GLU A 28 -7.620 -6.945 -13.015 1.00 42.10 H new ATOM 0 HG2 GLU A 28 -9.363 -7.594 -14.653 1.00 74.22 H new ATOM 0 HG3 GLU A 28 -10.035 -6.967 -13.161 1.00 74.22 H new ATOM 404 N HIS A 29 -7.534 -5.395 -10.599 1.00 32.02 N ATOM 405 CA HIS A 29 -7.779 -5.643 -9.182 1.00 50.24 C ATOM 406 C HIS A 29 -7.816 -4.333 -8.400 1.00 74.33 C ATOM 407 O HIS A 29 -8.506 -4.224 -7.387 1.00 43.23 O ATOM 408 CB HIS A 29 -6.700 -6.562 -8.610 1.00 4.33 C ATOM 409 CG HIS A 29 -6.785 -7.971 -9.110 1.00 53.20 C ATOM 410 ND1 HIS A 29 -7.612 -8.920 -8.548 1.00 32.14 N ATOM 411 CD2 HIS A 29 -6.143 -8.589 -10.128 1.00 64.41 C ATOM 412 CE1 HIS A 29 -7.473 -10.062 -9.197 1.00 32.21 C ATOM 413 NE2 HIS A 29 -6.587 -9.888 -10.161 1.00 74.11 N ATOM 0 H HIS A 29 -6.556 -5.472 -10.878 1.00 32.02 H new ATOM 0 HA HIS A 29 -8.749 -6.131 -9.086 1.00 50.24 H new ATOM 0 HB2 HIS A 29 -5.720 -6.156 -8.859 1.00 4.33 H new ATOM 0 HB3 HIS A 29 -6.777 -6.566 -7.523 1.00 4.33 H new ATOM 0 HD2 HIS A 29 -5.416 -8.144 -10.791 1.00 64.41 H new ATOM 0 HE1 HIS A 29 -7.995 -10.982 -8.977 1.00 32.21 H new ATOM 0 HE2 HIS A 29 -6.282 -10.602 -10.822 1.00 74.11 H new ATOM 421 N ASN A 30 -7.070 -3.343 -8.878 1.00 4.12 N ATOM 422 CA ASN A 30 -7.017 -2.041 -8.222 1.00 65.24 C ATOM 423 C ASN A 30 -6.381 -2.154 -6.840 1.00 1.30 C ATOM 424 O ASN A 30 -6.894 -1.606 -5.864 1.00 20.45 O ATOM 425 CB ASN A 30 -8.422 -1.449 -8.103 1.00 34.41 C ATOM 426 CG ASN A 30 -9.233 -1.624 -9.373 1.00 20.14 C ATOM 427 OD1 ASN A 30 -9.067 -0.876 -10.336 1.00 62.23 O ATOM 428 ND2 ASN A 30 -10.116 -2.616 -9.379 1.00 14.54 N ATOM 0 H ASN A 30 -6.494 -3.417 -9.717 1.00 4.12 H new ATOM 0 HA ASN A 30 -6.402 -1.379 -8.832 1.00 65.24 H new ATOM 0 HB2 ASN A 30 -8.945 -1.925 -7.273 1.00 34.41 H new ATOM 0 HB3 ASN A 30 -8.347 -0.388 -7.866 1.00 34.41 H new ATOM 0 HD21 ASN A 30 -10.690 -2.782 -10.205 1.00 14.54 H new ATOM 0 HD22 ASN A 30 -10.220 -3.211 -8.557 1.00 14.54 H new ATOM 435 N ILE A 31 -5.262 -2.866 -6.766 1.00 3.03 N ATOM 436 CA ILE A 31 -4.555 -3.049 -5.504 1.00 13.42 C ATOM 437 C ILE A 31 -3.433 -2.028 -5.350 1.00 23.24 C ATOM 438 O ILE A 31 -2.870 -1.553 -6.336 1.00 54.24 O ATOM 439 CB ILE A 31 -3.965 -4.466 -5.389 1.00 65.34 C ATOM 440 CG1 ILE A 31 -5.016 -5.512 -5.764 1.00 35.54 C ATOM 441 CG2 ILE A 31 -3.444 -4.711 -3.981 1.00 42.00 C ATOM 442 CD1 ILE A 31 -4.486 -6.929 -5.767 1.00 5.11 C ATOM 0 H ILE A 31 -4.825 -3.326 -7.565 1.00 3.03 H new ATOM 0 HA ILE A 31 -5.286 -2.904 -4.709 1.00 13.42 H new ATOM 0 HB ILE A 31 -3.130 -4.553 -6.084 1.00 65.34 H new ATOM 0 HG12 ILE A 31 -5.848 -5.446 -5.063 1.00 35.54 H new ATOM 0 HG13 ILE A 31 -5.412 -5.279 -6.752 1.00 35.54 H new ATOM 0 HG21 ILE A 31 -3.030 -5.717 -3.916 1.00 42.00 H new ATOM 0 HG22 ILE A 31 -2.666 -3.983 -3.749 1.00 42.00 H new ATOM 0 HG23 ILE A 31 -4.262 -4.608 -3.268 1.00 42.00 H new ATOM 0 HD11 ILE A 31 -5.286 -7.616 -6.042 1.00 5.11 H new ATOM 0 HD12 ILE A 31 -3.673 -7.012 -6.488 1.00 5.11 H new ATOM 0 HD13 ILE A 31 -4.116 -7.181 -4.773 1.00 5.11 H new ATOM 454 N LYS A 32 -3.109 -1.696 -4.104 1.00 73.43 N ATOM 455 CA LYS A 32 -2.051 -0.735 -3.818 1.00 53.34 C ATOM 456 C LYS A 32 -0.676 -1.364 -4.015 1.00 21.41 C ATOM 457 O LYS A 32 0.074 -1.552 -3.057 1.00 64.32 O ATOM 458 CB LYS A 32 -2.184 -0.210 -2.387 1.00 1.01 C ATOM 459 CG LYS A 32 -3.087 1.006 -2.266 1.00 25.41 C ATOM 460 CD LYS A 32 -4.555 0.614 -2.288 1.00 4.42 C ATOM 461 CE LYS A 32 -5.436 1.780 -2.709 1.00 1.54 C ATOM 462 NZ LYS A 32 -5.387 2.896 -1.724 1.00 2.42 N ATOM 0 H LYS A 32 -3.565 -2.079 -3.276 1.00 73.43 H new ATOM 0 HA LYS A 32 -2.153 0.097 -4.515 1.00 53.34 H new ATOM 0 HB2 LYS A 32 -2.573 -1.006 -1.752 1.00 1.01 H new ATOM 0 HB3 LYS A 32 -1.194 0.044 -2.009 1.00 1.01 H new ATOM 0 HG2 LYS A 32 -2.864 1.535 -1.339 1.00 25.41 H new ATOM 0 HG3 LYS A 32 -2.881 1.696 -3.084 1.00 25.41 H new ATOM 0 HD2 LYS A 32 -4.700 -0.220 -2.975 1.00 4.42 H new ATOM 0 HD3 LYS A 32 -4.855 0.268 -1.299 1.00 4.42 H new ATOM 0 HE2 LYS A 32 -5.116 2.143 -3.686 1.00 1.54 H new ATOM 0 HE3 LYS A 32 -6.465 1.437 -2.818 1.00 1.54 H new ATOM 0 HZ1 LYS A 32 -6.014 3.664 -2.038 1.00 2.42 H new ATOM 0 HZ2 LYS A 32 -5.701 2.552 -0.794 1.00 2.42 H new ATOM 0 HZ3 LYS A 32 -4.413 3.252 -1.651 1.00 2.42 H new ATOM 476 N VAL A 33 -0.351 -1.687 -5.263 1.00 24.43 N ATOM 477 CA VAL A 33 0.936 -2.293 -5.585 1.00 33.41 C ATOM 478 C VAL A 33 1.675 -1.483 -6.643 1.00 44.22 C ATOM 479 O VAL A 33 1.082 -1.037 -7.626 1.00 20.15 O ATOM 480 CB VAL A 33 0.765 -3.739 -6.088 1.00 33.10 C ATOM 481 CG1 VAL A 33 -0.150 -3.777 -7.303 1.00 20.32 C ATOM 482 CG2 VAL A 33 2.118 -4.354 -6.410 1.00 21.41 C ATOM 0 H VAL A 33 -0.961 -1.539 -6.067 1.00 24.43 H new ATOM 0 HA VAL A 33 1.521 -2.303 -4.665 1.00 33.41 H new ATOM 0 HB VAL A 33 0.303 -4.329 -5.296 1.00 33.10 H new ATOM 0 HG11 VAL A 33 -0.259 -4.806 -7.644 1.00 20.32 H new ATOM 0 HG12 VAL A 33 -1.128 -3.378 -7.034 1.00 20.32 H new ATOM 0 HG13 VAL A 33 0.281 -3.174 -8.102 1.00 20.32 H new ATOM 0 HG21 VAL A 33 1.978 -5.375 -6.764 1.00 21.41 H new ATOM 0 HG22 VAL A 33 2.610 -3.766 -7.185 1.00 21.41 H new ATOM 0 HG23 VAL A 33 2.737 -4.362 -5.513 1.00 21.41 H new ATOM 492 N ASP A 34 2.974 -1.296 -6.436 1.00 42.03 N ATOM 493 CA ASP A 34 3.797 -0.540 -7.374 1.00 13.13 C ATOM 494 C ASP A 34 4.770 -1.458 -8.105 1.00 64.45 C ATOM 495 O ASP A 34 5.582 -2.143 -7.481 1.00 54.30 O ATOM 496 CB ASP A 34 4.567 0.558 -6.639 1.00 13.43 C ATOM 497 CG ASP A 34 4.663 1.838 -7.446 1.00 75.23 C ATOM 498 OD1 ASP A 34 5.753 2.446 -7.467 1.00 42.33 O ATOM 499 OD2 ASP A 34 3.647 2.230 -8.058 1.00 43.20 O ATOM 0 H ASP A 34 3.480 -1.657 -5.627 1.00 42.03 H new ATOM 0 HA ASP A 34 3.137 -0.080 -8.110 1.00 13.13 H new ATOM 0 HB2 ASP A 34 4.077 0.767 -5.688 1.00 13.43 H new ATOM 0 HB3 ASP A 34 5.571 0.201 -6.408 1.00 13.43 H new ATOM 504 N ILE A 35 4.683 -1.469 -9.431 1.00 42.32 N ATOM 505 CA ILE A 35 5.556 -2.303 -10.247 1.00 64.13 C ATOM 506 C ILE A 35 6.901 -1.624 -10.484 1.00 24.53 C ATOM 507 O ILE A 35 6.981 -0.401 -10.598 1.00 72.25 O ATOM 508 CB ILE A 35 4.913 -2.630 -11.608 1.00 13.32 C ATOM 509 CG1 ILE A 35 3.538 -3.270 -11.405 1.00 52.25 C ATOM 510 CG2 ILE A 35 5.817 -3.549 -12.415 1.00 4.13 C ATOM 511 CD1 ILE A 35 2.771 -3.473 -12.693 1.00 74.22 C ATOM 0 H ILE A 35 4.016 -0.909 -9.963 1.00 42.32 H new ATOM 0 HA ILE A 35 5.711 -3.230 -9.695 1.00 64.13 H new ATOM 0 HB ILE A 35 4.783 -1.702 -12.164 1.00 13.32 H new ATOM 0 HG12 ILE A 35 3.664 -4.233 -10.911 1.00 52.25 H new ATOM 0 HG13 ILE A 35 2.949 -2.643 -10.736 1.00 52.25 H new ATOM 0 HG21 ILE A 35 5.348 -3.770 -13.374 1.00 4.13 H new ATOM 0 HG22 ILE A 35 6.776 -3.059 -12.584 1.00 4.13 H new ATOM 0 HG23 ILE A 35 5.976 -4.477 -11.866 1.00 4.13 H new ATOM 0 HD11 ILE A 35 1.806 -3.931 -12.474 1.00 74.22 H new ATOM 0 HD12 ILE A 35 2.614 -2.510 -13.179 1.00 74.22 H new ATOM 0 HD13 ILE A 35 3.339 -4.125 -13.356 1.00 74.22 H new ATOM 523 N LYS A 36 7.958 -2.427 -10.557 1.00 52.05 N ATOM 524 CA LYS A 36 9.301 -1.906 -10.784 1.00 13.13 C ATOM 525 C LYS A 36 10.138 -2.892 -11.592 1.00 53.25 C ATOM 526 O LYS A 36 10.147 -4.089 -11.310 1.00 33.45 O ATOM 527 CB LYS A 36 9.988 -1.613 -9.448 1.00 51.31 C ATOM 528 CG LYS A 36 10.121 -0.130 -9.145 1.00 61.32 C ATOM 529 CD LYS A 36 11.113 0.122 -8.022 1.00 12.40 C ATOM 530 CE LYS A 36 11.667 1.538 -8.076 1.00 65.41 C ATOM 531 NZ LYS A 36 11.054 2.414 -7.040 1.00 23.33 N ATOM 0 H LYS A 36 7.910 -3.441 -10.462 1.00 52.05 H new ATOM 0 HA LYS A 36 9.214 -0.980 -11.352 1.00 13.13 H new ATOM 0 HB2 LYS A 36 9.424 -2.090 -8.647 1.00 51.31 H new ATOM 0 HB3 LYS A 36 10.980 -2.065 -9.452 1.00 51.31 H new ATOM 0 HG2 LYS A 36 10.444 0.398 -10.042 1.00 61.32 H new ATOM 0 HG3 LYS A 36 9.147 0.275 -8.869 1.00 61.32 H new ATOM 0 HD2 LYS A 36 10.626 -0.043 -7.061 1.00 12.40 H new ATOM 0 HD3 LYS A 36 11.932 -0.593 -8.091 1.00 12.40 H new ATOM 0 HE2 LYS A 36 12.748 1.511 -7.935 1.00 65.41 H new ATOM 0 HE3 LYS A 36 11.485 1.962 -9.064 1.00 65.41 H new ATOM 0 HZ1 LYS A 36 11.354 3.398 -7.195 1.00 23.33 H new ATOM 0 HZ2 LYS A 36 10.018 2.354 -7.104 1.00 23.33 H new ATOM 0 HZ3 LYS A 36 11.361 2.103 -6.096 1.00 23.33 H new ATOM 545 N GLN A 37 10.840 -2.379 -12.598 1.00 30.42 N ATOM 546 CA GLN A 37 11.681 -3.216 -13.446 1.00 54.02 C ATOM 547 C GLN A 37 13.140 -2.781 -13.364 1.00 61.24 C ATOM 548 O GLN A 37 13.454 -1.598 -13.501 1.00 71.43 O ATOM 549 CB GLN A 37 11.198 -3.155 -14.897 1.00 5.03 C ATOM 550 CG GLN A 37 10.858 -1.750 -15.366 1.00 43.31 C ATOM 551 CD GLN A 37 10.442 -1.706 -16.823 1.00 44.13 C ATOM 552 OE1 GLN A 37 11.092 -1.061 -17.647 1.00 15.40 O ATOM 553 NE2 GLN A 37 9.355 -2.394 -17.150 1.00 32.22 N ATOM 0 H GLN A 37 10.843 -1.389 -12.845 1.00 30.42 H new ATOM 0 HA GLN A 37 11.607 -4.243 -13.089 1.00 54.02 H new ATOM 0 HB2 GLN A 37 11.970 -3.569 -15.546 1.00 5.03 H new ATOM 0 HB3 GLN A 37 10.317 -3.788 -15.005 1.00 5.03 H new ATOM 0 HG2 GLN A 37 10.053 -1.350 -14.750 1.00 43.31 H new ATOM 0 HG3 GLN A 37 11.723 -1.103 -15.219 1.00 43.31 H new ATOM 0 HE21 GLN A 37 8.847 -2.915 -16.435 1.00 32.22 H new ATOM 0 HE22 GLN A 37 9.028 -2.402 -18.116 1.00 32.22 H new ATOM 562 N ILE A 38 14.027 -3.744 -13.140 1.00 64.41 N ATOM 563 CA ILE A 38 15.454 -3.460 -13.041 1.00 33.52 C ATOM 564 C ILE A 38 16.282 -4.590 -13.642 1.00 63.52 C ATOM 565 O ILE A 38 15.741 -5.598 -14.098 1.00 30.00 O ATOM 566 CB ILE A 38 15.884 -3.246 -11.578 1.00 4.42 C ATOM 567 CG1 ILE A 38 16.018 -4.590 -10.860 1.00 33.21 C ATOM 568 CG2 ILE A 38 14.886 -2.351 -10.858 1.00 24.12 C ATOM 569 CD1 ILE A 38 14.738 -5.396 -10.843 1.00 55.22 C ATOM 0 H ILE A 38 13.783 -4.728 -13.024 1.00 64.41 H new ATOM 0 HA ILE A 38 15.634 -2.543 -13.602 1.00 33.52 H new ATOM 0 HB ILE A 38 16.856 -2.753 -11.569 1.00 4.42 H new ATOM 0 HG12 ILE A 38 16.800 -5.175 -11.344 1.00 33.21 H new ATOM 0 HG13 ILE A 38 16.341 -4.414 -9.834 1.00 33.21 H new ATOM 0 HG21 ILE A 38 15.204 -2.209 -9.825 1.00 24.12 H new ATOM 0 HG22 ILE A 38 14.837 -1.384 -11.359 1.00 24.12 H new ATOM 0 HG23 ILE A 38 13.901 -2.818 -10.874 1.00 24.12 H new ATOM 0 HD11 ILE A 38 14.907 -6.336 -10.318 1.00 55.22 H new ATOM 0 HD12 ILE A 38 13.959 -4.830 -10.333 1.00 55.22 H new ATOM 0 HD13 ILE A 38 14.425 -5.603 -11.866 1.00 55.22 H new ATOM 581 N LYS A 39 17.600 -4.417 -13.639 1.00 33.21 N ATOM 582 CA LYS A 39 18.506 -5.423 -14.181 1.00 14.10 C ATOM 583 C LYS A 39 18.879 -6.449 -13.116 1.00 60.21 C ATOM 584 O LYS A 39 18.674 -6.222 -11.923 1.00 61.23 O ATOM 585 CB LYS A 39 19.770 -4.758 -14.729 1.00 1.41 C ATOM 586 CG LYS A 39 19.645 -4.312 -16.175 1.00 53.54 C ATOM 587 CD LYS A 39 20.237 -5.336 -17.128 1.00 63.03 C ATOM 588 CE LYS A 39 19.334 -6.551 -17.273 1.00 33.03 C ATOM 589 NZ LYS A 39 18.043 -6.207 -17.930 1.00 73.13 N ATOM 0 H LYS A 39 18.065 -3.589 -13.267 1.00 33.21 H new ATOM 0 HA LYS A 39 17.993 -5.938 -14.993 1.00 14.10 H new ATOM 0 HB2 LYS A 39 20.013 -3.894 -14.111 1.00 1.41 H new ATOM 0 HB3 LYS A 39 20.603 -5.455 -14.643 1.00 1.41 H new ATOM 0 HG2 LYS A 39 18.594 -4.152 -16.418 1.00 53.54 H new ATOM 0 HG3 LYS A 39 20.151 -3.356 -16.307 1.00 53.54 H new ATOM 0 HD2 LYS A 39 20.392 -4.878 -18.105 1.00 63.03 H new ATOM 0 HD3 LYS A 39 21.215 -5.650 -16.764 1.00 63.03 H new ATOM 0 HE2 LYS A 39 19.846 -7.316 -17.856 1.00 33.03 H new ATOM 0 HE3 LYS A 39 19.139 -6.978 -16.289 1.00 33.03 H new ATOM 0 HZ1 LYS A 39 17.600 -7.072 -18.300 1.00 73.13 H new ATOM 0 HZ2 LYS A 39 17.408 -5.762 -17.237 1.00 73.13 H new ATOM 0 HZ3 LYS A 39 18.218 -5.546 -18.713 1.00 73.13 H new ATOM 603 N ILE A 40 19.429 -7.577 -13.555 1.00 14.34 N ATOM 604 CA ILE A 40 19.833 -8.636 -12.638 1.00 53.32 C ATOM 605 C ILE A 40 20.796 -8.109 -11.580 1.00 12.02 C ATOM 606 O ILE A 40 20.803 -8.578 -10.441 1.00 74.32 O ATOM 607 CB ILE A 40 20.500 -9.804 -13.387 1.00 61.24 C ATOM 608 CG1 ILE A 40 20.758 -10.970 -12.431 1.00 64.54 C ATOM 609 CG2 ILE A 40 21.798 -9.346 -14.035 1.00 41.41 C ATOM 610 CD1 ILE A 40 19.518 -11.773 -12.108 1.00 73.35 C ATOM 0 H ILE A 40 19.605 -7.781 -14.539 1.00 14.34 H new ATOM 0 HA ILE A 40 18.926 -8.997 -12.153 1.00 53.32 H new ATOM 0 HB ILE A 40 19.826 -10.145 -14.173 1.00 61.24 H new ATOM 0 HG12 ILE A 40 21.505 -11.631 -12.871 1.00 64.54 H new ATOM 0 HG13 ILE A 40 21.182 -10.582 -11.504 1.00 64.54 H new ATOM 0 HG21 ILE A 40 22.257 -10.183 -14.561 1.00 41.41 H new ATOM 0 HG22 ILE A 40 21.588 -8.544 -14.743 1.00 41.41 H new ATOM 0 HG23 ILE A 40 22.480 -8.982 -13.266 1.00 41.41 H new ATOM 0 HD11 ILE A 40 19.776 -12.583 -11.425 1.00 73.35 H new ATOM 0 HD12 ILE A 40 18.777 -11.125 -11.639 1.00 73.35 H new ATOM 0 HD13 ILE A 40 19.105 -12.191 -13.026 1.00 73.35 H new ATOM 622 N THR A 41 21.608 -7.129 -11.962 1.00 43.41 N ATOM 623 CA THR A 41 22.575 -6.537 -11.047 1.00 4.45 C ATOM 624 C THR A 41 22.014 -5.281 -10.390 1.00 14.03 C ATOM 625 O THR A 41 22.761 -4.375 -10.021 1.00 71.44 O ATOM 626 CB THR A 41 23.888 -6.181 -11.769 1.00 43.32 C ATOM 627 OG1 THR A 41 23.651 -5.153 -12.738 1.00 4.14 O ATOM 628 CG2 THR A 41 24.478 -7.404 -12.455 1.00 34.23 C ATOM 0 H THR A 41 21.615 -6.728 -12.900 1.00 43.41 H new ATOM 0 HA THR A 41 22.781 -7.284 -10.280 1.00 4.45 H new ATOM 0 HB THR A 41 24.600 -5.823 -11.025 1.00 43.32 H new ATOM 0 HG1 THR A 41 24.491 -4.931 -13.192 1.00 4.14 H new ATOM 0 HG21 THR A 41 25.405 -7.127 -12.958 1.00 34.23 H new ATOM 0 HG22 THR A 41 24.684 -8.174 -11.712 1.00 34.23 H new ATOM 0 HG23 THR A 41 23.768 -7.788 -13.188 1.00 34.23 H new ATOM 636 N GLU A 42 20.693 -5.234 -10.246 1.00 31.33 N ATOM 637 CA GLU A 42 20.032 -4.088 -9.633 1.00 21.03 C ATOM 638 C GLU A 42 19.156 -4.527 -8.462 1.00 44.44 C ATOM 639 O GLU A 42 18.935 -3.767 -7.520 1.00 15.15 O ATOM 640 CB GLU A 42 19.184 -3.346 -10.668 1.00 44.01 C ATOM 641 CG GLU A 42 19.866 -2.115 -11.243 1.00 75.52 C ATOM 642 CD GLU A 42 20.013 -1.001 -10.225 1.00 64.24 C ATOM 643 OE1 GLU A 42 20.873 -1.127 -9.328 1.00 53.42 O ATOM 644 OE2 GLU A 42 19.269 -0.003 -10.327 1.00 22.32 O ATOM 0 H GLU A 42 20.060 -5.976 -10.545 1.00 31.33 H new ATOM 0 HA GLU A 42 20.803 -3.416 -9.256 1.00 21.03 H new ATOM 0 HB2 GLU A 42 18.939 -4.029 -11.482 1.00 44.01 H new ATOM 0 HB3 GLU A 42 18.242 -3.048 -10.207 1.00 44.01 H new ATOM 0 HG2 GLU A 42 20.851 -2.392 -11.618 1.00 75.52 H new ATOM 0 HG3 GLU A 42 19.292 -1.750 -12.095 1.00 75.52 H new ATOM 651 N VAL A 43 18.661 -5.758 -8.531 1.00 34.11 N ATOM 652 CA VAL A 43 17.810 -6.299 -7.478 1.00 35.20 C ATOM 653 C VAL A 43 18.590 -6.486 -6.182 1.00 64.41 C ATOM 654 O VAL A 43 18.017 -6.482 -5.093 1.00 43.35 O ATOM 655 CB VAL A 43 17.193 -7.649 -7.892 1.00 41.45 C ATOM 656 CG1 VAL A 43 18.285 -8.664 -8.194 1.00 75.21 C ATOM 657 CG2 VAL A 43 16.260 -8.163 -6.807 1.00 73.21 C ATOM 0 H VAL A 43 18.834 -6.400 -9.305 1.00 34.11 H new ATOM 0 HA VAL A 43 17.010 -5.577 -7.316 1.00 35.20 H new ATOM 0 HB VAL A 43 16.608 -7.499 -8.800 1.00 41.45 H new ATOM 0 HG11 VAL A 43 17.831 -9.611 -8.485 1.00 75.21 H new ATOM 0 HG12 VAL A 43 18.909 -8.296 -9.008 1.00 75.21 H new ATOM 0 HG13 VAL A 43 18.899 -8.813 -7.306 1.00 75.21 H new ATOM 0 HG21 VAL A 43 15.833 -9.117 -7.116 1.00 73.21 H new ATOM 0 HG22 VAL A 43 16.819 -8.298 -5.881 1.00 73.21 H new ATOM 0 HG23 VAL A 43 15.458 -7.442 -6.645 1.00 73.21 H new ATOM 667 N GLY A 44 19.904 -6.651 -6.307 1.00 51.23 N ATOM 668 CA GLY A 44 20.743 -6.837 -5.138 1.00 0.10 C ATOM 669 C GLY A 44 20.430 -5.844 -4.036 1.00 30.52 C ATOM 670 O GLY A 44 19.934 -6.206 -2.968 1.00 40.34 O ATOM 0 H GLY A 44 20.402 -6.659 -7.197 1.00 51.23 H new ATOM 0 HA2 GLY A 44 20.612 -7.850 -4.758 1.00 0.10 H new ATOM 0 HA3 GLY A 44 21.790 -6.738 -5.426 1.00 0.10 H new ATOM 674 N PRO A 45 20.724 -4.561 -4.289 1.00 41.41 N ATOM 675 CA PRO A 45 20.480 -3.487 -3.321 1.00 43.24 C ATOM 676 C PRO A 45 18.994 -3.210 -3.126 1.00 13.55 C ATOM 677 O PRO A 45 18.586 -2.649 -2.108 1.00 33.10 O ATOM 678 CB PRO A 45 21.171 -2.276 -3.953 1.00 64.04 C ATOM 679 CG PRO A 45 21.182 -2.566 -5.415 1.00 12.23 C ATOM 680 CD PRO A 45 21.317 -4.058 -5.540 1.00 30.21 C ATOM 0 HA PRO A 45 20.855 -3.739 -2.329 1.00 43.24 H new ATOM 0 HB2 PRO A 45 20.631 -1.354 -3.736 1.00 64.04 H new ATOM 0 HB3 PRO A 45 22.183 -2.151 -3.567 1.00 64.04 H new ATOM 0 HG2 PRO A 45 20.265 -2.216 -5.889 1.00 12.23 H new ATOM 0 HG3 PRO A 45 22.010 -2.057 -5.908 1.00 12.23 H new ATOM 0 HD2 PRO A 45 20.790 -4.437 -6.415 1.00 30.21 H new ATOM 0 HD3 PRO A 45 22.360 -4.360 -5.640 1.00 30.21 H new ATOM 688 N TYR A 46 18.189 -3.606 -4.105 1.00 51.52 N ATOM 689 CA TYR A 46 16.747 -3.398 -4.041 1.00 1.40 C ATOM 690 C TYR A 46 16.049 -4.606 -3.425 1.00 23.32 C ATOM 691 O TYR A 46 14.954 -4.982 -3.840 1.00 72.13 O ATOM 692 CB TYR A 46 16.187 -3.129 -5.439 1.00 13.24 C ATOM 693 CG TYR A 46 16.489 -1.741 -5.956 1.00 2.54 C ATOM 694 CD1 TYR A 46 16.287 -0.621 -5.157 1.00 61.41 C ATOM 695 CD2 TYR A 46 16.976 -1.548 -7.242 1.00 41.45 C ATOM 696 CE1 TYR A 46 16.561 0.649 -5.625 1.00 44.13 C ATOM 697 CE2 TYR A 46 17.254 -0.281 -7.718 1.00 65.15 C ATOM 698 CZ TYR A 46 17.045 0.814 -6.906 1.00 63.03 C ATOM 699 OH TYR A 46 17.320 2.077 -7.377 1.00 41.43 O ATOM 0 H TYR A 46 18.510 -4.073 -4.953 1.00 51.52 H new ATOM 0 HA TYR A 46 16.558 -2.531 -3.408 1.00 1.40 H new ATOM 0 HB2 TYR A 46 16.597 -3.863 -6.133 1.00 13.24 H new ATOM 0 HB3 TYR A 46 15.107 -3.274 -5.423 1.00 13.24 H new ATOM 0 HD1 TYR A 46 15.909 -0.747 -4.153 1.00 61.41 H new ATOM 0 HD2 TYR A 46 17.140 -2.403 -7.881 1.00 41.45 H new ATOM 0 HE1 TYR A 46 16.397 1.508 -4.992 1.00 44.13 H new ATOM 0 HE2 TYR A 46 17.633 -0.149 -8.721 1.00 65.15 H new ATOM 0 HH TYR A 46 17.654 2.018 -8.296 1.00 41.43 H new ATOM 709 N GLU A 47 16.693 -5.210 -2.431 1.00 1.14 N ATOM 710 CA GLU A 47 16.135 -6.376 -1.757 1.00 33.34 C ATOM 711 C GLU A 47 15.404 -5.969 -0.481 1.00 34.24 C ATOM 712 O GLU A 47 14.379 -6.553 -0.126 1.00 63.01 O ATOM 713 CB GLU A 47 17.241 -7.380 -1.425 1.00 43.15 C ATOM 714 CG GLU A 47 17.479 -8.407 -2.520 1.00 11.13 C ATOM 715 CD GLU A 47 18.247 -9.618 -2.026 1.00 53.14 C ATOM 716 OE1 GLU A 47 18.914 -10.275 -2.852 1.00 74.24 O ATOM 717 OE2 GLU A 47 18.181 -9.908 -0.813 1.00 55.23 O ATOM 0 H GLU A 47 17.601 -4.911 -2.075 1.00 1.14 H new ATOM 0 HA GLU A 47 15.419 -6.845 -2.432 1.00 33.34 H new ATOM 0 HB2 GLU A 47 18.168 -6.838 -1.239 1.00 43.15 H new ATOM 0 HB3 GLU A 47 16.984 -7.899 -0.501 1.00 43.15 H new ATOM 0 HG2 GLU A 47 16.520 -8.730 -2.925 1.00 11.13 H new ATOM 0 HG3 GLU A 47 18.029 -7.941 -3.337 1.00 11.13 H new ATOM 724 N ASP A 48 15.938 -4.965 0.205 1.00 12.42 N ATOM 725 CA ASP A 48 15.337 -4.478 1.442 1.00 71.22 C ATOM 726 C ASP A 48 14.103 -3.630 1.149 1.00 3.34 C ATOM 727 O ASP A 48 13.026 -3.871 1.695 1.00 21.22 O ATOM 728 CB ASP A 48 16.354 -3.663 2.242 1.00 40.02 C ATOM 729 CG ASP A 48 17.079 -2.642 1.387 1.00 53.10 C ATOM 730 OD1 ASP A 48 16.783 -1.436 1.524 1.00 70.13 O ATOM 731 OD2 ASP A 48 17.942 -3.049 0.582 1.00 41.51 O ATOM 0 H ASP A 48 16.786 -4.472 -0.074 1.00 12.42 H new ATOM 0 HA ASP A 48 15.030 -5.341 2.033 1.00 71.22 H new ATOM 0 HB2 ASP A 48 15.844 -3.152 3.059 1.00 40.02 H new ATOM 0 HB3 ASP A 48 17.082 -4.338 2.693 1.00 40.02 H new ATOM 736 N THR A 49 14.268 -2.633 0.285 1.00 71.10 N ATOM 737 CA THR A 49 13.169 -1.747 -0.078 1.00 62.24 C ATOM 738 C THR A 49 12.049 -2.515 -0.771 1.00 24.42 C ATOM 739 O THR A 49 10.883 -2.407 -0.393 1.00 4.33 O ATOM 740 CB THR A 49 13.646 -0.612 -1.004 1.00 13.44 C ATOM 741 OG1 THR A 49 14.099 -1.152 -2.250 1.00 21.54 O ATOM 742 CG2 THR A 49 14.767 0.183 -0.352 1.00 23.12 C ATOM 0 H THR A 49 15.152 -2.419 -0.176 1.00 71.10 H new ATOM 0 HA THR A 49 12.791 -1.316 0.849 1.00 62.24 H new ATOM 0 HB THR A 49 12.805 0.057 -1.184 1.00 13.44 H new ATOM 0 HG1 THR A 49 14.399 -0.423 -2.833 1.00 21.54 H new ATOM 0 HG21 THR A 49 15.087 0.979 -1.024 1.00 23.12 H new ATOM 0 HG22 THR A 49 14.409 0.618 0.581 1.00 23.12 H new ATOM 0 HG23 THR A 49 15.609 -0.478 -0.145 1.00 23.12 H new ATOM 750 N ALA A 50 12.411 -3.293 -1.786 1.00 43.43 N ATOM 751 CA ALA A 50 11.437 -4.081 -2.530 1.00 33.43 C ATOM 752 C ALA A 50 10.858 -5.196 -1.665 1.00 21.12 C ATOM 753 O ALA A 50 11.597 -5.965 -1.051 1.00 24.44 O ATOM 754 CB ALA A 50 12.073 -4.661 -3.784 1.00 42.44 C ATOM 0 H ALA A 50 13.372 -3.394 -2.112 1.00 43.43 H new ATOM 0 HA ALA A 50 10.620 -3.421 -2.822 1.00 33.43 H new ATOM 0 HB1 ALA A 50 11.333 -5.247 -4.329 1.00 42.44 H new ATOM 0 HB2 ALA A 50 12.433 -3.850 -4.418 1.00 42.44 H new ATOM 0 HB3 ALA A 50 12.909 -5.302 -3.505 1.00 42.44 H new ATOM 760 N ASP A 51 9.533 -5.277 -1.621 1.00 11.34 N ATOM 761 CA ASP A 51 8.855 -6.298 -0.831 1.00 31.13 C ATOM 762 C ASP A 51 8.959 -7.663 -1.503 1.00 64.41 C ATOM 763 O ASP A 51 9.575 -8.586 -0.967 1.00 12.01 O ATOM 764 CB ASP A 51 7.385 -5.926 -0.630 1.00 1.20 C ATOM 765 CG ASP A 51 6.806 -6.517 0.641 1.00 45.34 C ATOM 766 OD1 ASP A 51 6.593 -5.754 1.606 1.00 32.14 O ATOM 767 OD2 ASP A 51 6.566 -7.742 0.669 1.00 45.31 O ATOM 0 H ASP A 51 8.907 -4.648 -2.123 1.00 11.34 H new ATOM 0 HA ASP A 51 9.344 -6.353 0.142 1.00 31.13 H new ATOM 0 HB2 ASP A 51 7.289 -4.841 -0.599 1.00 1.20 H new ATOM 0 HB3 ASP A 51 6.805 -6.273 -1.485 1.00 1.20 H new ATOM 772 N LEU A 52 8.354 -7.786 -2.679 1.00 51.31 N ATOM 773 CA LEU A 52 8.378 -9.039 -3.425 1.00 73.12 C ATOM 774 C LEU A 52 9.375 -8.968 -4.577 1.00 70.32 C ATOM 775 O LEU A 52 9.906 -7.901 -4.888 1.00 61.21 O ATOM 776 CB LEU A 52 6.982 -9.362 -3.963 1.00 24.14 C ATOM 777 CG LEU A 52 6.015 -10.011 -2.972 1.00 1.42 C ATOM 778 CD1 LEU A 52 6.584 -11.321 -2.450 1.00 2.31 C ATOM 779 CD2 LEU A 52 5.715 -9.061 -1.821 1.00 35.40 C ATOM 0 H LEU A 52 7.841 -7.033 -3.137 1.00 51.31 H new ATOM 0 HA LEU A 52 8.692 -9.832 -2.746 1.00 73.12 H new ATOM 0 HB2 LEU A 52 6.532 -8.438 -4.327 1.00 24.14 H new ATOM 0 HB3 LEU A 52 7.090 -10.024 -4.822 1.00 24.14 H new ATOM 0 HG LEU A 52 5.082 -10.227 -3.492 1.00 1.42 H new ATOM 0 HD11 LEU A 52 5.882 -11.768 -1.746 1.00 2.31 H new ATOM 0 HD12 LEU A 52 6.747 -12.004 -3.283 1.00 2.31 H new ATOM 0 HD13 LEU A 52 7.531 -11.131 -1.946 1.00 2.31 H new ATOM 0 HD21 LEU A 52 5.025 -9.539 -1.125 1.00 35.40 H new ATOM 0 HD22 LEU A 52 6.641 -8.814 -1.302 1.00 35.40 H new ATOM 0 HD23 LEU A 52 5.263 -8.149 -2.211 1.00 35.40 H new ATOM 791 N LEU A 53 9.624 -10.110 -5.209 1.00 35.34 N ATOM 792 CA LEU A 53 10.556 -10.178 -6.329 1.00 34.12 C ATOM 793 C LEU A 53 10.217 -11.347 -7.249 1.00 1.41 C ATOM 794 O LEU A 53 10.159 -12.497 -6.814 1.00 4.34 O ATOM 795 CB LEU A 53 11.990 -10.316 -5.816 1.00 62.45 C ATOM 796 CG LEU A 53 13.056 -10.602 -6.875 1.00 4.51 C ATOM 797 CD1 LEU A 53 13.058 -9.513 -7.937 1.00 64.22 C ATOM 798 CD2 LEU A 53 14.429 -10.722 -6.230 1.00 23.32 C ATOM 0 H LEU A 53 9.193 -11.002 -4.965 1.00 35.34 H new ATOM 0 HA LEU A 53 10.469 -9.254 -6.900 1.00 34.12 H new ATOM 0 HB2 LEU A 53 12.259 -9.396 -5.297 1.00 62.45 H new ATOM 0 HB3 LEU A 53 12.015 -11.118 -5.078 1.00 62.45 H new ATOM 0 HG LEU A 53 12.818 -11.551 -7.356 1.00 4.51 H new ATOM 0 HD11 LEU A 53 13.823 -9.733 -8.682 1.00 64.22 H new ATOM 0 HD12 LEU A 53 12.081 -9.474 -8.420 1.00 64.22 H new ATOM 0 HD13 LEU A 53 13.271 -8.551 -7.471 1.00 64.22 H new ATOM 0 HD21 LEU A 53 15.175 -10.926 -6.998 1.00 23.32 H new ATOM 0 HD22 LEU A 53 14.675 -9.789 -5.723 1.00 23.32 H new ATOM 0 HD23 LEU A 53 14.421 -11.537 -5.507 1.00 23.32 H new ATOM 810 N VAL A 54 9.996 -11.044 -8.524 1.00 60.23 N ATOM 811 CA VAL A 54 9.667 -12.070 -9.507 1.00 52.41 C ATOM 812 C VAL A 54 10.725 -12.141 -10.602 1.00 61.41 C ATOM 813 O VAL A 54 10.847 -11.233 -11.424 1.00 42.33 O ATOM 814 CB VAL A 54 8.293 -11.808 -10.153 1.00 10.14 C ATOM 815 CG1 VAL A 54 7.883 -12.981 -11.029 1.00 74.14 C ATOM 816 CG2 VAL A 54 7.245 -11.539 -9.083 1.00 40.43 C ATOM 0 H VAL A 54 10.039 -10.097 -8.901 1.00 60.23 H new ATOM 0 HA VAL A 54 9.635 -13.020 -8.974 1.00 52.41 H new ATOM 0 HB VAL A 54 8.370 -10.923 -10.785 1.00 10.14 H new ATOM 0 HG11 VAL A 54 6.910 -12.778 -11.477 1.00 74.14 H new ATOM 0 HG12 VAL A 54 8.623 -13.123 -11.817 1.00 74.14 H new ATOM 0 HG13 VAL A 54 7.822 -13.884 -10.422 1.00 74.14 H new ATOM 0 HG21 VAL A 54 6.280 -11.356 -9.556 1.00 40.43 H new ATOM 0 HG22 VAL A 54 7.168 -12.404 -8.424 1.00 40.43 H new ATOM 0 HG23 VAL A 54 7.535 -10.664 -8.501 1.00 40.43 H new ATOM 826 N THR A 55 11.490 -13.229 -10.608 1.00 51.11 N ATOM 827 CA THR A 55 12.539 -13.420 -11.602 1.00 10.15 C ATOM 828 C THR A 55 12.495 -14.828 -12.184 1.00 52.00 C ATOM 829 O THR A 55 12.155 -15.788 -11.491 1.00 51.23 O ATOM 830 CB THR A 55 13.935 -13.169 -11.000 1.00 73.00 C ATOM 831 OG1 THR A 55 14.948 -13.571 -11.929 1.00 12.23 O ATOM 832 CG2 THR A 55 14.106 -13.930 -9.694 1.00 71.31 C ATOM 0 H THR A 55 11.402 -13.991 -9.936 1.00 51.11 H new ATOM 0 HA THR A 55 12.358 -12.696 -12.396 1.00 10.15 H new ATOM 0 HB THR A 55 14.032 -12.103 -10.796 1.00 73.00 H new ATOM 0 HG1 THR A 55 14.939 -12.970 -12.703 1.00 12.23 H new ATOM 0 HG21 THR A 55 15.099 -13.737 -9.288 1.00 71.31 H new ATOM 0 HG22 THR A 55 13.352 -13.601 -8.980 1.00 71.31 H new ATOM 0 HG23 THR A 55 13.990 -14.998 -9.877 1.00 71.31 H new ATOM 840 N THR A 56 12.841 -14.946 -13.462 1.00 43.01 N ATOM 841 CA THR A 56 12.841 -16.237 -14.138 1.00 73.11 C ATOM 842 C THR A 56 13.751 -17.231 -13.426 1.00 34.24 C ATOM 843 O THR A 56 13.360 -18.369 -13.167 1.00 23.21 O ATOM 844 CB THR A 56 13.294 -16.104 -15.604 1.00 55.24 C ATOM 845 OG1 THR A 56 14.661 -15.681 -15.658 1.00 55.14 O ATOM 846 CG2 THR A 56 12.420 -15.108 -16.352 1.00 75.32 C ATOM 0 H THR A 56 13.125 -14.162 -14.050 1.00 43.01 H new ATOM 0 HA THR A 56 11.815 -16.605 -14.114 1.00 73.11 H new ATOM 0 HB THR A 56 13.197 -17.079 -16.081 1.00 55.24 H new ATOM 0 HG1 THR A 56 15.037 -15.901 -16.536 1.00 55.14 H new ATOM 0 HG21 THR A 56 12.759 -15.031 -17.385 1.00 75.32 H new ATOM 0 HG22 THR A 56 11.384 -15.448 -16.334 1.00 75.32 H new ATOM 0 HG23 THR A 56 12.490 -14.131 -15.873 1.00 75.32 H new ATOM 854 N ALA A 57 14.965 -16.794 -13.110 1.00 42.42 N ATOM 855 CA ALA A 57 15.930 -17.645 -12.425 1.00 14.24 C ATOM 856 C ALA A 57 16.201 -17.140 -11.012 1.00 14.25 C ATOM 857 O ALA A 57 15.885 -15.998 -10.679 1.00 54.23 O ATOM 858 CB ALA A 57 17.226 -17.719 -13.218 1.00 73.22 C ATOM 0 H ALA A 57 15.304 -15.855 -13.318 1.00 42.42 H new ATOM 0 HA ALA A 57 15.505 -18.646 -12.350 1.00 14.24 H new ATOM 0 HB1 ALA A 57 17.937 -18.358 -12.694 1.00 73.22 H new ATOM 0 HB2 ALA A 57 17.025 -18.134 -14.206 1.00 73.22 H new ATOM 0 HB3 ALA A 57 17.646 -16.719 -13.323 1.00 73.22 H new ATOM 864 N MET A 58 16.787 -17.998 -10.184 1.00 31.34 N ATOM 865 CA MET A 58 17.101 -17.638 -8.806 1.00 15.22 C ATOM 866 C MET A 58 18.574 -17.272 -8.662 1.00 3.34 C ATOM 867 O MET A 58 19.321 -17.261 -9.641 1.00 22.12 O ATOM 868 CB MET A 58 16.755 -18.792 -7.863 1.00 22.02 C ATOM 869 CG MET A 58 15.268 -18.916 -7.574 1.00 20.33 C ATOM 870 SD MET A 58 14.378 -19.790 -8.876 1.00 30.34 S ATOM 871 CE MET A 58 13.274 -20.813 -7.904 1.00 2.54 C ATOM 0 H MET A 58 17.054 -18.948 -10.443 1.00 31.34 H new ATOM 0 HA MET A 58 16.501 -16.768 -8.538 1.00 15.22 H new ATOM 0 HB2 MET A 58 17.111 -19.726 -8.299 1.00 22.02 H new ATOM 0 HB3 MET A 58 17.289 -18.655 -6.923 1.00 22.02 H new ATOM 0 HG2 MET A 58 15.128 -19.440 -6.629 1.00 20.33 H new ATOM 0 HG3 MET A 58 14.841 -17.920 -7.453 1.00 20.33 H new ATOM 0 HE1 MET A 58 12.655 -21.415 -8.570 1.00 2.54 H new ATOM 0 HE2 MET A 58 13.859 -21.469 -7.260 1.00 2.54 H new ATOM 0 HE3 MET A 58 12.635 -20.178 -7.290 1.00 2.54 H new ATOM 881 N THR A 59 18.988 -16.971 -7.434 1.00 73.23 N ATOM 882 CA THR A 59 20.371 -16.603 -7.163 1.00 24.14 C ATOM 883 C THR A 59 21.046 -17.630 -6.260 1.00 44.33 C ATOM 884 O THR A 59 20.476 -18.679 -5.960 1.00 40.24 O ATOM 885 CB THR A 59 20.464 -15.215 -6.501 1.00 30.21 C ATOM 886 OG1 THR A 59 19.968 -15.278 -5.159 1.00 23.21 O ATOM 887 CG2 THR A 59 19.672 -14.185 -7.292 1.00 11.25 C ATOM 0 H THR A 59 18.384 -16.975 -6.612 1.00 73.23 H new ATOM 0 HA THR A 59 20.884 -16.574 -8.124 1.00 24.14 H new ATOM 0 HB THR A 59 21.511 -14.913 -6.487 1.00 30.21 H new ATOM 0 HG1 THR A 59 19.050 -14.937 -5.133 1.00 23.21 H new ATOM 0 HG21 THR A 59 19.752 -13.213 -6.806 1.00 11.25 H new ATOM 0 HG22 THR A 59 20.071 -14.119 -8.304 1.00 11.25 H new ATOM 0 HG23 THR A 59 18.625 -14.485 -7.333 1.00 11.25 H new ATOM 895 N LYS A 60 22.265 -17.321 -5.829 1.00 73.20 N ATOM 896 CA LYS A 60 23.018 -18.216 -4.958 1.00 41.15 C ATOM 897 C LYS A 60 22.871 -17.805 -3.497 1.00 51.40 C ATOM 898 O LYS A 60 22.813 -18.652 -2.605 1.00 42.25 O ATOM 899 CB LYS A 60 24.497 -18.218 -5.352 1.00 70.21 C ATOM 900 CG LYS A 60 25.303 -19.318 -4.683 1.00 73.43 C ATOM 901 CD LYS A 60 26.578 -19.621 -5.452 1.00 21.33 C ATOM 902 CE LYS A 60 27.164 -20.966 -5.051 1.00 22.42 C ATOM 903 NZ LYS A 60 28.197 -21.432 -6.017 1.00 43.52 N ATOM 0 H LYS A 60 22.752 -16.458 -6.069 1.00 73.20 H new ATOM 0 HA LYS A 60 22.615 -19.222 -5.076 1.00 41.15 H new ATOM 0 HB2 LYS A 60 24.576 -18.328 -6.434 1.00 70.21 H new ATOM 0 HB3 LYS A 60 24.934 -17.252 -5.097 1.00 70.21 H new ATOM 0 HG2 LYS A 60 25.553 -19.019 -3.665 1.00 73.43 H new ATOM 0 HG3 LYS A 60 24.697 -20.221 -4.610 1.00 73.43 H new ATOM 0 HD2 LYS A 60 26.368 -19.619 -6.522 1.00 21.33 H new ATOM 0 HD3 LYS A 60 27.310 -18.835 -5.269 1.00 21.33 H new ATOM 0 HE2 LYS A 60 27.605 -20.888 -4.057 1.00 22.42 H new ATOM 0 HE3 LYS A 60 26.366 -21.706 -4.988 1.00 22.42 H new ATOM 0 HZ1 LYS A 60 28.572 -22.352 -5.708 1.00 43.52 H new ATOM 0 HZ2 LYS A 60 27.771 -21.531 -6.960 1.00 43.52 H new ATOM 0 HZ3 LYS A 60 28.971 -20.739 -6.058 1.00 43.52 H new ATOM 917 N LYS A 61 22.809 -16.499 -3.258 1.00 20.11 N ATOM 918 CA LYS A 61 22.665 -15.974 -1.905 1.00 64.51 C ATOM 919 C LYS A 61 21.330 -16.392 -1.299 1.00 14.05 C ATOM 920 O LYS A 61 20.591 -17.181 -1.887 1.00 13.33 O ATOM 921 CB LYS A 61 22.779 -14.448 -1.913 1.00 63.40 C ATOM 922 CG LYS A 61 24.020 -13.935 -2.622 1.00 42.34 C ATOM 923 CD LYS A 61 24.393 -12.539 -2.153 1.00 2.50 C ATOM 924 CE LYS A 61 23.319 -11.524 -2.514 1.00 44.41 C ATOM 925 NZ LYS A 61 23.847 -10.131 -2.505 1.00 32.04 N ATOM 0 H LYS A 61 22.856 -15.784 -3.984 1.00 20.11 H new ATOM 0 HA LYS A 61 23.467 -16.388 -1.294 1.00 64.51 H new ATOM 0 HB2 LYS A 61 21.896 -14.029 -2.395 1.00 63.40 H new ATOM 0 HB3 LYS A 61 22.783 -14.087 -0.885 1.00 63.40 H new ATOM 0 HG2 LYS A 61 24.852 -14.615 -2.440 1.00 42.34 H new ATOM 0 HG3 LYS A 61 23.847 -13.924 -3.698 1.00 42.34 H new ATOM 0 HD2 LYS A 61 24.542 -12.544 -1.073 1.00 2.50 H new ATOM 0 HD3 LYS A 61 25.340 -12.244 -2.604 1.00 2.50 H new ATOM 0 HE2 LYS A 61 22.919 -11.754 -3.501 1.00 44.41 H new ATOM 0 HE3 LYS A 61 22.492 -11.604 -1.808 1.00 44.41 H new ATOM 0 HZ1 LYS A 61 23.085 -9.469 -2.756 1.00 32.04 H new ATOM 0 HZ2 LYS A 61 24.206 -9.902 -1.556 1.00 32.04 H new ATOM 0 HZ3 LYS A 61 24.619 -10.048 -3.197 1.00 32.04 H new ATOM 939 N GLU A 62 21.026 -15.856 -0.120 1.00 65.42 N ATOM 940 CA GLU A 62 19.779 -16.174 0.564 1.00 33.03 C ATOM 941 C GLU A 62 18.831 -14.978 0.550 1.00 32.23 C ATOM 942 O GLU A 62 18.944 -14.072 1.377 1.00 65.54 O ATOM 943 CB GLU A 62 20.057 -16.601 2.007 1.00 60.31 C ATOM 944 CG GLU A 62 18.922 -17.389 2.638 1.00 34.41 C ATOM 945 CD GLU A 62 19.287 -17.950 3.999 1.00 74.42 C ATOM 946 OE1 GLU A 62 19.760 -19.105 4.056 1.00 0.32 O ATOM 947 OE2 GLU A 62 19.099 -17.236 5.005 1.00 31.15 O ATOM 0 H GLU A 62 21.626 -15.200 0.380 1.00 65.42 H new ATOM 0 HA GLU A 62 19.304 -16.999 0.034 1.00 33.03 H new ATOM 0 HB2 GLU A 62 20.964 -17.205 2.030 1.00 60.31 H new ATOM 0 HB3 GLU A 62 20.250 -15.713 2.609 1.00 60.31 H new ATOM 0 HG2 GLU A 62 18.049 -16.745 2.737 1.00 34.41 H new ATOM 0 HG3 GLU A 62 18.641 -18.207 1.975 1.00 34.41 H new ATOM 954 N TYR A 63 17.897 -14.983 -0.394 1.00 53.50 N ATOM 955 CA TYR A 63 16.931 -13.897 -0.518 1.00 73.54 C ATOM 956 C TYR A 63 16.188 -13.676 0.796 1.00 41.13 C ATOM 957 O TYR A 63 16.119 -14.567 1.642 1.00 32.40 O ATOM 958 CB TYR A 63 15.932 -14.201 -1.636 1.00 60.45 C ATOM 959 CG TYR A 63 16.366 -13.690 -2.992 1.00 11.35 C ATOM 960 CD1 TYR A 63 16.463 -14.547 -4.081 1.00 3.12 C ATOM 961 CD2 TYR A 63 16.679 -12.350 -3.182 1.00 43.34 C ATOM 962 CE1 TYR A 63 16.860 -14.084 -5.321 1.00 31.13 C ATOM 963 CE2 TYR A 63 17.075 -11.878 -4.419 1.00 3.11 C ATOM 964 CZ TYR A 63 17.164 -12.749 -5.485 1.00 3.13 C ATOM 965 OH TYR A 63 17.560 -12.283 -6.718 1.00 32.13 O ATOM 0 H TYR A 63 17.788 -15.726 -1.084 1.00 53.50 H new ATOM 0 HA TYR A 63 17.476 -12.986 -0.764 1.00 73.54 H new ATOM 0 HB2 TYR A 63 15.782 -15.279 -1.694 1.00 60.45 H new ATOM 0 HB3 TYR A 63 14.969 -13.758 -1.381 1.00 60.45 H new ATOM 0 HD1 TYR A 63 16.224 -15.593 -3.956 1.00 3.12 H new ATOM 0 HD2 TYR A 63 16.612 -11.666 -2.349 1.00 43.34 H new ATOM 0 HE1 TYR A 63 16.932 -14.764 -6.157 1.00 31.13 H new ATOM 0 HE2 TYR A 63 17.314 -10.833 -4.550 1.00 3.11 H new ATOM 0 HH TYR A 63 17.735 -11.320 -6.663 1.00 32.13 H new ATOM 975 N LYS A 64 15.633 -12.480 0.959 1.00 12.14 N ATOM 976 CA LYS A 64 14.893 -12.138 2.168 1.00 33.43 C ATOM 977 C LYS A 64 13.406 -11.977 1.869 1.00 51.44 C ATOM 978 O LYS A 64 12.739 -11.112 2.436 1.00 15.44 O ATOM 979 CB LYS A 64 15.444 -10.849 2.781 1.00 14.21 C ATOM 980 CG LYS A 64 16.927 -10.913 3.101 1.00 41.32 C ATOM 981 CD LYS A 64 17.175 -11.493 4.483 1.00 62.52 C ATOM 982 CE LYS A 64 16.792 -10.510 5.578 1.00 52.12 C ATOM 983 NZ LYS A 64 17.447 -10.840 6.874 1.00 54.11 N ATOM 0 H LYS A 64 15.682 -11.731 0.269 1.00 12.14 H new ATOM 0 HA LYS A 64 15.016 -12.953 2.881 1.00 33.43 H new ATOM 0 HB2 LYS A 64 15.265 -10.024 2.092 1.00 14.21 H new ATOM 0 HB3 LYS A 64 14.893 -10.627 3.695 1.00 14.21 H new ATOM 0 HG2 LYS A 64 17.435 -11.522 2.353 1.00 41.32 H new ATOM 0 HG3 LYS A 64 17.356 -9.913 3.043 1.00 41.32 H new ATOM 0 HD2 LYS A 64 16.601 -12.412 4.601 1.00 62.52 H new ATOM 0 HD3 LYS A 64 18.227 -11.759 4.583 1.00 62.52 H new ATOM 0 HE2 LYS A 64 17.074 -9.501 5.275 1.00 52.12 H new ATOM 0 HE3 LYS A 64 15.710 -10.514 5.707 1.00 52.12 H new ATOM 0 HZ1 LYS A 64 17.160 -10.147 7.594 1.00 54.11 H new ATOM 0 HZ2 LYS A 64 17.159 -11.792 7.176 1.00 54.11 H new ATOM 0 HZ3 LYS A 64 18.480 -10.812 6.758 1.00 54.11 H new ATOM 997 N PHE A 65 12.892 -12.815 0.974 1.00 5.14 N ATOM 998 CA PHE A 65 11.484 -12.765 0.600 1.00 40.20 C ATOM 999 C PHE A 65 11.111 -13.959 -0.274 1.00 51.42 C ATOM 1000 O PHE A 65 11.960 -14.587 -0.906 1.00 42.25 O ATOM 1001 CB PHE A 65 11.177 -11.461 -0.140 1.00 21.03 C ATOM 1002 CG PHE A 65 12.256 -11.049 -1.100 1.00 54.42 C ATOM 1003 CD1 PHE A 65 12.938 -9.855 -0.926 1.00 20.54 C ATOM 1004 CD2 PHE A 65 12.587 -11.854 -2.178 1.00 54.21 C ATOM 1005 CE1 PHE A 65 13.931 -9.473 -1.807 1.00 63.15 C ATOM 1006 CE2 PHE A 65 13.579 -11.477 -3.063 1.00 2.11 C ATOM 1007 CZ PHE A 65 14.252 -10.285 -2.878 1.00 55.51 C ATOM 0 H PHE A 65 13.430 -13.537 0.495 1.00 5.14 H new ATOM 0 HA PHE A 65 10.889 -12.805 1.513 1.00 40.20 H new ATOM 0 HB2 PHE A 65 10.240 -11.574 -0.685 1.00 21.03 H new ATOM 0 HB3 PHE A 65 11.027 -10.665 0.589 1.00 21.03 H new ATOM 0 HD1 PHE A 65 12.690 -9.216 -0.092 1.00 20.54 H new ATOM 0 HD2 PHE A 65 12.064 -12.787 -2.328 1.00 54.21 H new ATOM 0 HE1 PHE A 65 14.456 -8.541 -1.659 1.00 63.15 H new ATOM 0 HE2 PHE A 65 13.828 -12.114 -3.899 1.00 2.11 H new ATOM 0 HZ PHE A 65 15.027 -9.988 -3.569 1.00 55.51 H new ATOM 1017 N PRO A 66 9.809 -14.280 -0.311 1.00 63.30 N ATOM 1018 CA PRO A 66 9.293 -15.400 -1.103 1.00 72.25 C ATOM 1019 C PRO A 66 9.370 -15.134 -2.603 1.00 10.41 C ATOM 1020 O PRO A 66 8.425 -14.619 -3.202 1.00 22.44 O ATOM 1021 CB PRO A 66 7.834 -15.509 -0.654 1.00 74.52 C ATOM 1022 CG PRO A 66 7.482 -14.144 -0.175 1.00 14.43 C ATOM 1023 CD PRO A 66 8.741 -13.575 0.418 1.00 64.24 C ATOM 0 HA PRO A 66 9.871 -16.311 -0.946 1.00 72.25 H new ATOM 0 HB2 PRO A 66 7.189 -15.819 -1.476 1.00 74.52 H new ATOM 0 HB3 PRO A 66 7.718 -16.249 0.138 1.00 74.52 H new ATOM 0 HG2 PRO A 66 7.122 -13.523 -0.996 1.00 14.43 H new ATOM 0 HG3 PRO A 66 6.685 -14.185 0.567 1.00 14.43 H new ATOM 0 HD2 PRO A 66 8.801 -12.496 0.275 1.00 64.24 H new ATOM 0 HD3 PRO A 66 8.798 -13.758 1.491 1.00 64.24 H new ATOM 1031 N VAL A 67 10.501 -15.487 -3.205 1.00 3.03 N ATOM 1032 CA VAL A 67 10.701 -15.287 -4.635 1.00 60.21 C ATOM 1033 C VAL A 67 9.813 -16.221 -5.450 1.00 21.23 C ATOM 1034 O VAL A 67 9.570 -17.362 -5.056 1.00 73.43 O ATOM 1035 CB VAL A 67 12.171 -15.517 -5.034 1.00 51.30 C ATOM 1036 CG1 VAL A 67 12.355 -15.322 -6.531 1.00 53.43 C ATOM 1037 CG2 VAL A 67 13.086 -14.588 -4.251 1.00 3.13 C ATOM 0 H VAL A 67 11.293 -15.913 -2.724 1.00 3.03 H new ATOM 0 HA VAL A 67 10.431 -14.253 -4.851 1.00 60.21 H new ATOM 0 HB VAL A 67 12.439 -16.545 -4.790 1.00 51.30 H new ATOM 0 HG11 VAL A 67 13.400 -15.489 -6.794 1.00 53.43 H new ATOM 0 HG12 VAL A 67 11.727 -16.032 -7.070 1.00 53.43 H new ATOM 0 HG13 VAL A 67 12.070 -14.306 -6.803 1.00 53.43 H new ATOM 0 HG21 VAL A 67 14.121 -14.764 -4.545 1.00 3.13 H new ATOM 0 HG22 VAL A 67 12.820 -13.552 -4.462 1.00 3.13 H new ATOM 0 HG23 VAL A 67 12.974 -14.781 -3.184 1.00 3.13 H new ATOM 1047 N ILE A 68 9.332 -15.729 -6.587 1.00 24.45 N ATOM 1048 CA ILE A 68 8.473 -16.521 -7.458 1.00 15.14 C ATOM 1049 C ILE A 68 9.059 -16.625 -8.861 1.00 71.53 C ATOM 1050 O ILE A 68 9.142 -15.635 -9.585 1.00 42.55 O ATOM 1051 CB ILE A 68 7.057 -15.920 -7.548 1.00 62.41 C ATOM 1052 CG1 ILE A 68 6.423 -15.842 -6.158 1.00 11.01 C ATOM 1053 CG2 ILE A 68 6.190 -16.747 -8.486 1.00 21.00 C ATOM 1054 CD1 ILE A 68 6.484 -14.461 -5.543 1.00 30.30 C ATOM 0 H ILE A 68 9.523 -14.786 -6.926 1.00 24.45 H new ATOM 0 HA ILE A 68 8.410 -17.517 -7.019 1.00 15.14 H new ATOM 0 HB ILE A 68 7.132 -14.909 -7.950 1.00 62.41 H new ATOM 0 HG12 ILE A 68 5.381 -16.156 -6.225 1.00 11.01 H new ATOM 0 HG13 ILE A 68 6.927 -16.548 -5.498 1.00 11.01 H new ATOM 0 HG21 ILE A 68 5.193 -16.310 -8.539 1.00 21.00 H new ATOM 0 HG22 ILE A 68 6.636 -16.756 -9.481 1.00 21.00 H new ATOM 0 HG23 ILE A 68 6.119 -17.768 -8.111 1.00 21.00 H new ATOM 0 HD11 ILE A 68 6.016 -14.480 -4.559 1.00 30.30 H new ATOM 0 HD12 ILE A 68 7.525 -14.152 -5.444 1.00 30.30 H new ATOM 0 HD13 ILE A 68 5.955 -13.754 -6.182 1.00 30.30 H new ATOM 1066 N ASN A 69 9.463 -17.834 -9.240 1.00 13.05 N ATOM 1067 CA ASN A 69 10.040 -18.069 -10.558 1.00 24.02 C ATOM 1068 C ASN A 69 9.134 -17.519 -11.655 1.00 1.21 C ATOM 1069 O ASN A 69 7.927 -17.756 -11.653 1.00 55.24 O ATOM 1070 CB ASN A 69 10.274 -19.565 -10.776 1.00 75.30 C ATOM 1071 CG ASN A 69 8.979 -20.354 -10.804 1.00 74.13 C ATOM 1072 OD1 ASN A 69 8.306 -20.428 -11.833 1.00 24.40 O ATOM 1073 ND2 ASN A 69 8.623 -20.948 -9.671 1.00 12.20 N ATOM 0 H ASN A 69 9.401 -18.666 -8.652 1.00 13.05 H new ATOM 0 HA ASN A 69 10.996 -17.548 -10.606 1.00 24.02 H new ATOM 0 HB2 ASN A 69 10.807 -19.714 -11.715 1.00 75.30 H new ATOM 0 HB3 ASN A 69 10.914 -19.950 -9.982 1.00 75.30 H new ATOM 0 HD21 ASN A 69 7.761 -21.492 -9.629 1.00 12.20 H new ATOM 0 HD22 ASN A 69 9.211 -20.860 -8.842 1.00 12.20 H new ATOM 1080 N ALA A 70 9.726 -16.784 -12.591 1.00 0.35 N ATOM 1081 CA ALA A 70 8.973 -16.202 -13.695 1.00 22.11 C ATOM 1082 C ALA A 70 9.024 -17.099 -14.927 1.00 24.41 C ATOM 1083 O ALA A 70 9.066 -16.615 -16.058 1.00 20.01 O ATOM 1084 CB ALA A 70 9.508 -14.817 -14.026 1.00 53.42 C ATOM 0 H ALA A 70 10.725 -16.578 -12.607 1.00 0.35 H new ATOM 0 HA ALA A 70 7.932 -16.113 -13.385 1.00 22.11 H new ATOM 0 HB1 ALA A 70 8.937 -14.394 -14.852 1.00 53.42 H new ATOM 0 HB2 ALA A 70 9.414 -14.172 -13.152 1.00 53.42 H new ATOM 0 HB3 ALA A 70 10.557 -14.891 -14.311 1.00 53.42 H new ATOM 1090 N ARG A 71 9.022 -18.409 -14.700 1.00 14.11 N ATOM 1091 CA ARG A 71 9.070 -19.374 -15.792 1.00 14.41 C ATOM 1092 C ARG A 71 7.723 -19.456 -16.504 1.00 74.30 C ATOM 1093 O ARG A 71 7.662 -19.644 -17.718 1.00 71.12 O ATOM 1094 CB ARG A 71 9.465 -20.754 -15.264 1.00 42.03 C ATOM 1095 CG ARG A 71 10.877 -20.810 -14.705 1.00 23.42 C ATOM 1096 CD ARG A 71 11.917 -20.792 -15.814 1.00 62.53 C ATOM 1097 NE ARG A 71 11.903 -22.025 -16.598 1.00 12.21 N ATOM 1098 CZ ARG A 71 12.806 -22.315 -17.527 1.00 65.41 C ATOM 1099 NH1 ARG A 71 13.792 -21.467 -17.787 1.00 15.21 N ATOM 1100 NH2 ARG A 71 12.726 -23.457 -18.198 1.00 62.32 N ATOM 0 H ARG A 71 8.988 -18.826 -13.770 1.00 14.11 H new ATOM 0 HA ARG A 71 9.820 -19.038 -16.508 1.00 14.41 H new ATOM 0 HB2 ARG A 71 8.763 -21.050 -14.485 1.00 42.03 H new ATOM 0 HB3 ARG A 71 9.373 -21.482 -16.070 1.00 42.03 H new ATOM 0 HG2 ARG A 71 11.039 -19.963 -14.039 1.00 23.42 H new ATOM 0 HG3 ARG A 71 10.997 -21.713 -14.107 1.00 23.42 H new ATOM 0 HD2 ARG A 71 11.731 -19.942 -16.471 1.00 62.53 H new ATOM 0 HD3 ARG A 71 12.907 -20.649 -15.380 1.00 62.53 H new ATOM 0 HE ARG A 71 11.159 -22.700 -16.422 1.00 12.21 H new ATOM 0 HH11 ARG A 71 13.858 -20.589 -17.273 1.00 15.21 H new ATOM 0 HH12 ARG A 71 14.484 -21.693 -18.501 1.00 15.21 H new ATOM 0 HH21 ARG A 71 11.970 -24.113 -18.000 1.00 62.32 H new ATOM 0 HH22 ARG A 71 13.420 -23.679 -18.912 1.00 62.32 H new ATOM 1114 N ASN A 72 6.645 -19.315 -15.739 1.00 30.31 N ATOM 1115 CA ASN A 72 5.299 -19.375 -16.296 1.00 73.14 C ATOM 1116 C ASN A 72 5.132 -18.364 -17.426 1.00 43.44 C ATOM 1117 O ASN A 72 4.422 -18.616 -18.400 1.00 42.41 O ATOM 1118 CB ASN A 72 4.260 -19.112 -15.204 1.00 72.13 C ATOM 1119 CG ASN A 72 4.385 -17.723 -14.610 1.00 1.41 C ATOM 1120 OD1 ASN A 72 5.236 -17.475 -13.756 1.00 24.23 O ATOM 1121 ND2 ASN A 72 3.535 -16.808 -15.060 1.00 55.44 N ATOM 0 H ASN A 72 6.678 -19.158 -14.732 1.00 30.31 H new ATOM 0 HA ASN A 72 5.145 -20.375 -16.701 1.00 73.14 H new ATOM 0 HB2 ASN A 72 3.260 -19.238 -15.620 1.00 72.13 H new ATOM 0 HB3 ASN A 72 4.372 -19.854 -14.413 1.00 72.13 H new ATOM 0 HD21 ASN A 72 3.572 -15.856 -14.697 1.00 55.44 H new ATOM 0 HD22 ASN A 72 2.845 -17.057 -15.769 1.00 55.44 H new ATOM 1128 N PHE A 73 5.793 -17.218 -17.290 1.00 35.41 N ATOM 1129 CA PHE A 73 5.718 -16.168 -18.299 1.00 30.13 C ATOM 1130 C PHE A 73 6.298 -16.647 -19.626 1.00 72.04 C ATOM 1131 O PHE A 73 6.010 -16.083 -20.683 1.00 13.54 O ATOM 1132 CB PHE A 73 6.466 -14.921 -17.823 1.00 53.31 C ATOM 1133 CG PHE A 73 5.799 -14.225 -16.671 1.00 31.11 C ATOM 1134 CD1 PHE A 73 5.938 -14.707 -15.379 1.00 50.13 C ATOM 1135 CD2 PHE A 73 5.033 -13.090 -16.880 1.00 13.34 C ATOM 1136 CE1 PHE A 73 5.326 -14.069 -14.317 1.00 1.04 C ATOM 1137 CE2 PHE A 73 4.419 -12.447 -15.821 1.00 31.31 C ATOM 1138 CZ PHE A 73 4.565 -12.938 -14.538 1.00 73.21 C ATOM 0 H PHE A 73 6.386 -16.994 -16.491 1.00 35.41 H new ATOM 0 HA PHE A 73 4.668 -15.918 -18.451 1.00 30.13 H new ATOM 0 HB2 PHE A 73 7.477 -15.203 -17.530 1.00 53.31 H new ATOM 0 HB3 PHE A 73 6.558 -14.223 -18.655 1.00 53.31 H new ATOM 0 HD1 PHE A 73 6.531 -15.591 -15.200 1.00 50.13 H new ATOM 0 HD2 PHE A 73 4.914 -12.703 -17.881 1.00 13.34 H new ATOM 0 HE1 PHE A 73 5.443 -14.455 -13.315 1.00 1.04 H new ATOM 0 HE2 PHE A 73 3.826 -11.562 -15.997 1.00 31.31 H new ATOM 0 HZ PHE A 73 4.085 -12.438 -13.710 1.00 73.21 H new ATOM 1148 N LEU A 74 7.117 -17.691 -19.565 1.00 32.11 N ATOM 1149 CA LEU A 74 7.739 -18.247 -20.762 1.00 32.14 C ATOM 1150 C LEU A 74 7.071 -19.558 -21.164 1.00 34.14 C ATOM 1151 O LEU A 74 6.938 -19.863 -22.349 1.00 42.45 O ATOM 1152 CB LEU A 74 9.233 -18.475 -20.525 1.00 51.41 C ATOM 1153 CG LEU A 74 10.156 -17.316 -20.904 1.00 24.21 C ATOM 1154 CD1 LEU A 74 10.168 -16.262 -19.808 1.00 31.24 C ATOM 1155 CD2 LEU A 74 11.565 -17.824 -21.173 1.00 45.33 C ATOM 0 H LEU A 74 7.366 -18.170 -18.699 1.00 32.11 H new ATOM 0 HA LEU A 74 7.611 -17.531 -21.574 1.00 32.14 H new ATOM 0 HB2 LEU A 74 9.383 -18.703 -19.470 1.00 51.41 H new ATOM 0 HB3 LEU A 74 9.540 -19.357 -21.088 1.00 51.41 H new ATOM 0 HG LEU A 74 9.775 -16.857 -21.816 1.00 24.21 H new ATOM 0 HD11 LEU A 74 10.830 -15.445 -20.096 1.00 31.24 H new ATOM 0 HD12 LEU A 74 9.159 -15.877 -19.663 1.00 31.24 H new ATOM 0 HD13 LEU A 74 10.524 -16.707 -18.879 1.00 31.24 H new ATOM 0 HD21 LEU A 74 12.209 -16.986 -21.441 1.00 45.33 H new ATOM 0 HD22 LEU A 74 11.954 -18.308 -20.278 1.00 45.33 H new ATOM 0 HD23 LEU A 74 11.543 -18.542 -21.993 1.00 45.33 H new ATOM 1167 N THR A 75 6.649 -20.331 -20.168 1.00 34.14 N ATOM 1168 CA THR A 75 5.993 -21.609 -20.417 1.00 0.43 C ATOM 1169 C THR A 75 4.852 -21.456 -21.416 1.00 1.50 C ATOM 1170 O THR A 75 4.722 -22.245 -22.351 1.00 3.04 O ATOM 1171 CB THR A 75 5.442 -22.220 -19.115 1.00 74.40 C ATOM 1172 OG1 THR A 75 4.401 -21.391 -18.586 1.00 72.04 O ATOM 1173 CG2 THR A 75 6.546 -22.378 -18.081 1.00 0.22 C ATOM 0 H THR A 75 6.750 -20.094 -19.181 1.00 34.14 H new ATOM 0 HA THR A 75 6.748 -22.277 -20.832 1.00 0.43 H new ATOM 0 HB THR A 75 5.039 -23.206 -19.346 1.00 74.40 H new ATOM 0 HG1 THR A 75 4.637 -20.448 -18.713 1.00 72.04 H new ATOM 0 HG21 THR A 75 6.132 -22.811 -17.170 1.00 0.22 H new ATOM 0 HG22 THR A 75 7.322 -23.034 -18.475 1.00 0.22 H new ATOM 0 HG23 THR A 75 6.976 -21.402 -17.856 1.00 0.22 H new ATOM 1181 N GLY A 76 4.027 -20.433 -21.213 1.00 35.22 N ATOM 1182 CA GLY A 76 2.907 -20.195 -22.105 1.00 60.01 C ATOM 1183 C GLY A 76 1.953 -19.145 -21.571 1.00 42.11 C ATOM 1184 O GLY A 76 0.739 -19.255 -21.744 1.00 11.23 O ATOM 0 H GLY A 76 4.114 -19.765 -20.447 1.00 35.22 H new ATOM 0 HA2 GLY A 76 3.283 -19.879 -23.078 1.00 60.01 H new ATOM 0 HA3 GLY A 76 2.365 -21.128 -22.260 1.00 60.01 H new ATOM 1188 N ILE A 77 2.503 -18.125 -20.920 1.00 34.54 N ATOM 1189 CA ILE A 77 1.692 -17.052 -20.358 1.00 74.23 C ATOM 1190 C ILE A 77 0.783 -17.572 -19.250 1.00 33.12 C ATOM 1191 O ILE A 77 -0.437 -17.426 -19.313 1.00 72.33 O ATOM 1192 CB ILE A 77 0.829 -16.375 -21.439 1.00 15.40 C ATOM 1193 CG1 ILE A 77 1.670 -16.076 -22.682 1.00 31.14 C ATOM 1194 CG2 ILE A 77 0.205 -15.098 -20.895 1.00 42.34 C ATOM 1195 CD1 ILE A 77 0.885 -15.430 -23.802 1.00 30.50 C ATOM 0 H ILE A 77 3.506 -18.019 -20.769 1.00 34.54 H new ATOM 0 HA ILE A 77 2.383 -16.318 -19.943 1.00 74.23 H new ATOM 0 HB ILE A 77 0.027 -17.057 -21.722 1.00 15.40 H new ATOM 0 HG12 ILE A 77 2.496 -15.421 -22.403 1.00 31.14 H new ATOM 0 HG13 ILE A 77 2.109 -17.005 -23.046 1.00 31.14 H new ATOM 0 HG21 ILE A 77 -0.402 -14.631 -21.670 1.00 42.34 H new ATOM 0 HG22 ILE A 77 -0.423 -15.337 -20.037 1.00 42.34 H new ATOM 0 HG23 ILE A 77 0.993 -14.410 -20.587 1.00 42.34 H new ATOM 0 HD11 ILE A 77 1.545 -15.247 -24.650 1.00 30.50 H new ATOM 0 HD12 ILE A 77 0.076 -16.093 -24.108 1.00 30.50 H new ATOM 0 HD13 ILE A 77 0.468 -14.484 -23.456 1.00 30.50 H new ATOM 1207 N GLY A 78 1.387 -18.178 -18.232 1.00 73.51 N ATOM 1208 CA GLY A 78 0.617 -18.710 -17.122 1.00 51.54 C ATOM 1209 C GLY A 78 0.538 -17.744 -15.957 1.00 13.41 C ATOM 1210 O GLY A 78 0.765 -18.126 -14.809 1.00 35.33 O ATOM 0 H GLY A 78 2.396 -18.310 -18.156 1.00 73.51 H new ATOM 0 HA2 GLY A 78 -0.391 -18.947 -17.463 1.00 51.54 H new ATOM 0 HA3 GLY A 78 1.067 -19.644 -16.786 1.00 51.54 H new ATOM 1214 N ILE A 79 0.217 -16.488 -16.252 1.00 31.34 N ATOM 1215 CA ILE A 79 0.109 -15.465 -15.219 1.00 24.20 C ATOM 1216 C ILE A 79 -1.231 -15.552 -14.497 1.00 50.51 C ATOM 1217 O ILE A 79 -1.320 -15.283 -13.300 1.00 11.14 O ATOM 1218 CB ILE A 79 0.273 -14.052 -15.808 1.00 15.41 C ATOM 1219 CG1 ILE A 79 1.490 -13.998 -16.733 1.00 23.12 C ATOM 1220 CG2 ILE A 79 0.402 -13.025 -14.693 1.00 1.13 C ATOM 1221 CD1 ILE A 79 1.666 -12.664 -17.424 1.00 2.04 C ATOM 0 H ILE A 79 0.027 -16.155 -17.197 1.00 31.34 H new ATOM 0 HA ILE A 79 0.914 -15.648 -14.507 1.00 24.20 H new ATOM 0 HB ILE A 79 -0.615 -13.814 -16.394 1.00 15.41 H new ATOM 0 HG12 ILE A 79 2.386 -14.219 -16.154 1.00 23.12 H new ATOM 0 HG13 ILE A 79 1.398 -14.779 -17.487 1.00 23.12 H new ATOM 0 HG21 ILE A 79 0.517 -12.031 -15.125 1.00 1.13 H new ATOM 0 HG22 ILE A 79 -0.493 -13.049 -14.071 1.00 1.13 H new ATOM 0 HG23 ILE A 79 1.274 -13.258 -14.082 1.00 1.13 H new ATOM 0 HD11 ILE A 79 2.548 -12.699 -18.063 1.00 2.04 H new ATOM 0 HD12 ILE A 79 0.786 -12.450 -18.031 1.00 2.04 H new ATOM 0 HD13 ILE A 79 1.791 -11.881 -16.676 1.00 2.04 H new ATOM 1233 N GLU A 80 -2.271 -15.930 -15.234 1.00 43.12 N ATOM 1234 CA GLU A 80 -3.607 -16.053 -14.663 1.00 42.41 C ATOM 1235 C GLU A 80 -3.585 -16.923 -13.410 1.00 1.23 C ATOM 1236 O GLU A 80 -4.330 -16.680 -12.461 1.00 30.50 O ATOM 1237 CB GLU A 80 -4.573 -16.645 -15.691 1.00 43.35 C ATOM 1238 CG GLU A 80 -4.857 -15.719 -16.863 1.00 30.43 C ATOM 1239 CD GLU A 80 -5.879 -16.293 -17.825 1.00 30.22 C ATOM 1240 OE1 GLU A 80 -5.507 -16.583 -18.981 1.00 41.03 O ATOM 1241 OE2 GLU A 80 -7.050 -16.452 -17.422 1.00 31.31 O ATOM 0 H GLU A 80 -2.214 -16.156 -16.227 1.00 43.12 H new ATOM 0 HA GLU A 80 -3.949 -15.056 -14.386 1.00 42.41 H new ATOM 0 HB2 GLU A 80 -4.160 -17.580 -16.069 1.00 43.35 H new ATOM 0 HB3 GLU A 80 -5.513 -16.889 -15.196 1.00 43.35 H new ATOM 0 HG2 GLU A 80 -5.216 -14.761 -16.486 1.00 30.43 H new ATOM 0 HG3 GLU A 80 -3.929 -15.523 -17.399 1.00 30.43 H new ATOM 1248 N GLU A 81 -2.725 -17.937 -13.415 1.00 52.13 N ATOM 1249 CA GLU A 81 -2.607 -18.844 -12.280 1.00 15.24 C ATOM 1250 C GLU A 81 -1.492 -18.396 -11.339 1.00 61.44 C ATOM 1251 O GLU A 81 -1.697 -18.263 -10.132 1.00 40.34 O ATOM 1252 CB GLU A 81 -2.340 -20.271 -12.763 1.00 40.45 C ATOM 1253 CG GLU A 81 -3.600 -21.032 -13.139 1.00 30.45 C ATOM 1254 CD GLU A 81 -4.260 -20.488 -14.390 1.00 54.41 C ATOM 1255 OE1 GLU A 81 -5.508 -20.462 -14.440 1.00 43.23 O ATOM 1256 OE2 GLU A 81 -3.529 -20.087 -15.320 1.00 3.34 O ATOM 0 H GLU A 81 -2.100 -18.151 -14.192 1.00 52.13 H new ATOM 0 HA GLU A 81 -3.550 -18.825 -11.733 1.00 15.24 H new ATOM 0 HB2 GLU A 81 -1.676 -20.235 -13.627 1.00 40.45 H new ATOM 0 HB3 GLU A 81 -1.815 -20.818 -11.980 1.00 40.45 H new ATOM 0 HG2 GLU A 81 -3.353 -22.083 -13.291 1.00 30.45 H new ATOM 0 HG3 GLU A 81 -4.307 -20.987 -12.311 1.00 30.45 H new ATOM 1263 N THR A 82 -0.309 -18.167 -11.901 1.00 50.41 N ATOM 1264 CA THR A 82 0.840 -17.736 -11.115 1.00 31.24 C ATOM 1265 C THR A 82 0.493 -16.531 -10.248 1.00 72.11 C ATOM 1266 O THR A 82 0.793 -16.504 -9.054 1.00 60.14 O ATOM 1267 CB THR A 82 2.036 -17.378 -12.017 1.00 30.13 C ATOM 1268 OG1 THR A 82 2.433 -18.522 -12.781 1.00 24.24 O ATOM 1269 CG2 THR A 82 3.211 -16.883 -11.187 1.00 32.23 C ATOM 0 H THR A 82 -0.122 -18.273 -12.898 1.00 50.41 H new ATOM 0 HA THR A 82 1.116 -18.574 -10.474 1.00 31.24 H new ATOM 0 HB THR A 82 1.727 -16.580 -12.692 1.00 30.13 H new ATOM 0 HG1 THR A 82 1.920 -18.552 -13.616 1.00 24.24 H new ATOM 0 HG21 THR A 82 4.044 -16.636 -11.846 1.00 32.23 H new ATOM 0 HG22 THR A 82 2.914 -15.995 -10.629 1.00 32.23 H new ATOM 0 HG23 THR A 82 3.518 -17.663 -10.490 1.00 32.23 H new ATOM 1277 N LYS A 83 -0.142 -15.535 -10.856 1.00 14.32 N ATOM 1278 CA LYS A 83 -0.533 -14.326 -10.140 1.00 31.12 C ATOM 1279 C LYS A 83 -1.319 -14.671 -8.879 1.00 54.21 C ATOM 1280 O LYS A 83 -1.218 -13.980 -7.866 1.00 3.22 O ATOM 1281 CB LYS A 83 -1.372 -13.421 -11.045 1.00 44.11 C ATOM 1282 CG LYS A 83 -1.464 -11.987 -10.554 1.00 4.41 C ATOM 1283 CD LYS A 83 -0.244 -11.178 -10.964 1.00 15.53 C ATOM 1284 CE LYS A 83 -0.163 -9.866 -10.198 1.00 51.33 C ATOM 1285 NZ LYS A 83 1.245 -9.413 -10.022 1.00 14.03 N ATOM 0 H LYS A 83 -0.397 -15.541 -11.844 1.00 14.32 H new ATOM 0 HA LYS A 83 0.374 -13.797 -9.848 1.00 31.12 H new ATOM 0 HB2 LYS A 83 -0.944 -13.426 -12.047 1.00 44.11 H new ATOM 0 HB3 LYS A 83 -2.378 -13.834 -11.126 1.00 44.11 H new ATOM 0 HG2 LYS A 83 -2.363 -11.521 -10.957 1.00 4.41 H new ATOM 0 HG3 LYS A 83 -1.559 -11.979 -9.468 1.00 4.41 H new ATOM 0 HD2 LYS A 83 0.659 -11.762 -10.784 1.00 15.53 H new ATOM 0 HD3 LYS A 83 -0.284 -10.974 -12.034 1.00 15.53 H new ATOM 0 HE2 LYS A 83 -0.727 -9.100 -10.729 1.00 51.33 H new ATOM 0 HE3 LYS A 83 -0.631 -9.986 -9.221 1.00 51.33 H new ATOM 0 HZ1 LYS A 83 1.527 -9.535 -9.028 1.00 14.03 H new ATOM 0 HZ2 LYS A 83 1.870 -9.978 -10.631 1.00 14.03 H new ATOM 0 HZ3 LYS A 83 1.322 -8.409 -10.283 1.00 14.03 H new ATOM 1299 N GLN A 84 -2.101 -15.743 -8.949 1.00 71.43 N ATOM 1300 CA GLN A 84 -2.903 -16.179 -7.812 1.00 75.15 C ATOM 1301 C GLN A 84 -2.019 -16.488 -6.609 1.00 33.41 C ATOM 1302 O GLN A 84 -2.405 -16.245 -5.466 1.00 21.33 O ATOM 1303 CB GLN A 84 -3.727 -17.413 -8.186 1.00 12.24 C ATOM 1304 CG GLN A 84 -4.479 -17.268 -9.499 1.00 11.12 C ATOM 1305 CD GLN A 84 -5.468 -18.393 -9.732 1.00 62.25 C ATOM 1306 OE1 GLN A 84 -6.667 -18.160 -9.883 1.00 15.24 O ATOM 1307 NE2 GLN A 84 -4.968 -19.623 -9.765 1.00 34.23 N ATOM 0 H GLN A 84 -2.196 -16.326 -9.781 1.00 71.43 H new ATOM 0 HA GLN A 84 -3.579 -15.367 -7.543 1.00 75.15 H new ATOM 0 HB2 GLN A 84 -3.064 -18.276 -8.250 1.00 12.24 H new ATOM 0 HB3 GLN A 84 -4.441 -17.618 -7.389 1.00 12.24 H new ATOM 0 HG2 GLN A 84 -5.009 -16.316 -9.506 1.00 11.12 H new ATOM 0 HG3 GLN A 84 -3.764 -17.241 -10.322 1.00 11.12 H new ATOM 0 HE21 GLN A 84 -3.967 -19.770 -9.635 1.00 34.23 H new ATOM 0 HE22 GLN A 84 -5.585 -20.420 -9.920 1.00 34.23 H new ATOM 1316 N GLN A 85 -0.833 -17.026 -6.875 1.00 12.23 N ATOM 1317 CA GLN A 85 0.105 -17.369 -5.812 1.00 73.23 C ATOM 1318 C GLN A 85 0.616 -16.115 -5.111 1.00 13.00 C ATOM 1319 O GLN A 85 0.616 -16.036 -3.882 1.00 53.11 O ATOM 1320 CB GLN A 85 1.281 -18.166 -6.379 1.00 50.24 C ATOM 1321 CG GLN A 85 0.863 -19.267 -7.340 1.00 60.13 C ATOM 1322 CD GLN A 85 -0.274 -20.112 -6.801 1.00 13.23 C ATOM 1323 OE1 GLN A 85 -0.132 -20.787 -5.781 1.00 64.52 O ATOM 1324 NE2 GLN A 85 -1.413 -20.078 -7.483 1.00 62.04 N ATOM 0 H GLN A 85 -0.499 -17.234 -7.816 1.00 12.23 H new ATOM 0 HA GLN A 85 -0.422 -17.982 -5.081 1.00 73.23 H new ATOM 0 HB2 GLN A 85 1.957 -17.483 -6.894 1.00 50.24 H new ATOM 0 HB3 GLN A 85 1.841 -18.608 -5.555 1.00 50.24 H new ATOM 0 HG2 GLN A 85 0.562 -18.821 -8.288 1.00 60.13 H new ATOM 0 HG3 GLN A 85 1.720 -19.908 -7.547 1.00 60.13 H new ATOM 0 HE21 GLN A 85 -1.487 -19.505 -8.323 1.00 62.04 H new ATOM 0 HE22 GLN A 85 -2.214 -20.625 -7.166 1.00 62.04 H new ATOM 1333 N ILE A 86 1.051 -15.138 -5.899 1.00 54.14 N ATOM 1334 CA ILE A 86 1.564 -13.888 -5.353 1.00 55.54 C ATOM 1335 C ILE A 86 0.454 -13.085 -4.681 1.00 65.32 C ATOM 1336 O ILE A 86 0.609 -12.616 -3.553 1.00 1.20 O ATOM 1337 CB ILE A 86 2.217 -13.022 -6.447 1.00 3.02 C ATOM 1338 CG1 ILE A 86 3.362 -13.786 -7.116 1.00 0.42 C ATOM 1339 CG2 ILE A 86 2.720 -11.713 -5.856 1.00 63.31 C ATOM 1340 CD1 ILE A 86 3.058 -14.207 -8.536 1.00 62.14 C ATOM 0 H ILE A 86 1.058 -15.188 -6.918 1.00 54.14 H new ATOM 0 HA ILE A 86 2.318 -14.153 -4.612 1.00 55.54 H new ATOM 0 HB ILE A 86 1.467 -12.792 -7.204 1.00 3.02 H new ATOM 0 HG12 ILE A 86 4.255 -13.161 -7.114 1.00 0.42 H new ATOM 0 HG13 ILE A 86 3.592 -14.672 -6.524 1.00 0.42 H new ATOM 0 HG21 ILE A 86 3.179 -11.112 -6.641 1.00 63.31 H new ATOM 0 HG22 ILE A 86 1.884 -11.165 -5.421 1.00 63.31 H new ATOM 0 HG23 ILE A 86 3.458 -11.923 -5.082 1.00 63.31 H new ATOM 0 HD11 ILE A 86 3.913 -14.743 -8.948 1.00 62.14 H new ATOM 0 HD12 ILE A 86 2.184 -14.858 -8.543 1.00 62.14 H new ATOM 0 HD13 ILE A 86 2.858 -13.324 -9.142 1.00 62.14 H new ATOM 1352 N LEU A 87 -0.665 -12.933 -5.380 1.00 62.12 N ATOM 1353 CA LEU A 87 -1.802 -12.189 -4.851 1.00 34.04 C ATOM 1354 C LEU A 87 -2.195 -12.705 -3.470 1.00 13.21 C ATOM 1355 O LEU A 87 -2.657 -11.944 -2.619 1.00 12.03 O ATOM 1356 CB LEU A 87 -2.994 -12.293 -5.804 1.00 63.15 C ATOM 1357 CG LEU A 87 -4.227 -11.469 -5.431 1.00 25.20 C ATOM 1358 CD1 LEU A 87 -4.167 -10.096 -6.081 1.00 15.51 C ATOM 1359 CD2 LEU A 87 -5.499 -12.199 -5.837 1.00 3.02 C ATOM 0 H LEU A 87 -0.809 -13.315 -6.315 1.00 62.12 H new ATOM 0 HA LEU A 87 -1.509 -11.143 -4.759 1.00 34.04 H new ATOM 0 HB2 LEU A 87 -2.666 -11.989 -6.798 1.00 63.15 H new ATOM 0 HB3 LEU A 87 -3.289 -13.340 -5.872 1.00 63.15 H new ATOM 0 HG LEU A 87 -4.238 -11.336 -4.349 1.00 25.20 H new ATOM 0 HD11 LEU A 87 -5.052 -9.524 -5.805 1.00 15.51 H new ATOM 0 HD12 LEU A 87 -3.275 -9.571 -5.741 1.00 15.51 H new ATOM 0 HD13 LEU A 87 -4.131 -10.208 -7.165 1.00 15.51 H new ATOM 0 HD21 LEU A 87 -6.366 -11.598 -5.564 1.00 3.02 H new ATOM 0 HD22 LEU A 87 -5.496 -12.363 -6.915 1.00 3.02 H new ATOM 0 HD23 LEU A 87 -5.547 -13.159 -5.324 1.00 3.02 H new ATOM 1371 N THR A 88 -2.007 -14.003 -3.253 1.00 0.11 N ATOM 1372 CA THR A 88 -2.340 -14.621 -1.976 1.00 14.53 C ATOM 1373 C THR A 88 -1.748 -13.833 -0.813 1.00 14.42 C ATOM 1374 O THR A 88 -2.318 -13.796 0.277 1.00 14.41 O ATOM 1375 CB THR A 88 -1.836 -16.074 -1.906 1.00 24.21 C ATOM 1376 OG1 THR A 88 -2.443 -16.854 -2.942 1.00 44.23 O ATOM 1377 CG2 THR A 88 -2.148 -16.691 -0.551 1.00 33.10 C ATOM 0 H THR A 88 -1.626 -14.647 -3.946 1.00 0.11 H new ATOM 0 HA THR A 88 -3.427 -14.618 -1.898 1.00 14.53 H new ATOM 0 HB THR A 88 -0.755 -16.067 -2.044 1.00 24.21 H new ATOM 0 HG1 THR A 88 -2.067 -16.596 -3.809 1.00 44.23 H new ATOM 0 HG21 THR A 88 -1.782 -17.718 -0.526 1.00 33.10 H new ATOM 0 HG22 THR A 88 -1.660 -16.113 0.233 1.00 33.10 H new ATOM 0 HG23 THR A 88 -3.226 -16.686 -0.388 1.00 33.10 H new ATOM 1385 N GLU A 89 -0.602 -13.203 -1.053 1.00 31.43 N ATOM 1386 CA GLU A 89 0.066 -12.416 -0.023 1.00 63.04 C ATOM 1387 C GLU A 89 0.074 -10.935 -0.391 1.00 0.13 C ATOM 1388 O GLU A 89 0.038 -10.067 0.482 1.00 1.24 O ATOM 1389 CB GLU A 89 1.500 -12.910 0.177 1.00 23.43 C ATOM 1390 CG GLU A 89 2.315 -12.951 -1.105 1.00 21.55 C ATOM 1391 CD GLU A 89 3.738 -13.423 -0.876 1.00 41.05 C ATOM 1392 OE1 GLU A 89 4.323 -13.063 0.166 1.00 20.34 O ATOM 1393 OE2 GLU A 89 4.267 -14.152 -1.742 1.00 34.33 O ATOM 0 H GLU A 89 -0.118 -13.222 -1.950 1.00 31.43 H new ATOM 0 HA GLU A 89 -0.487 -12.539 0.908 1.00 63.04 H new ATOM 0 HB2 GLU A 89 2.002 -12.262 0.896 1.00 23.43 H new ATOM 0 HB3 GLU A 89 1.474 -13.909 0.613 1.00 23.43 H new ATOM 0 HG2 GLU A 89 1.827 -13.613 -1.820 1.00 21.55 H new ATOM 0 HG3 GLU A 89 2.333 -11.957 -1.552 1.00 21.55 H new ATOM 1400 N LEU A 90 0.122 -10.654 -1.688 1.00 53.41 N ATOM 1401 CA LEU A 90 0.135 -9.278 -2.173 1.00 12.33 C ATOM 1402 C LEU A 90 -0.990 -8.466 -1.538 1.00 74.35 C ATOM 1403 O LEU A 90 -0.783 -7.332 -1.108 1.00 33.22 O ATOM 1404 CB LEU A 90 0.002 -9.251 -3.696 1.00 74.53 C ATOM 1405 CG LEU A 90 0.816 -8.180 -4.423 1.00 33.31 C ATOM 1406 CD1 LEU A 90 2.299 -8.352 -4.137 1.00 65.00 C ATOM 1407 CD2 LEU A 90 0.550 -8.232 -5.920 1.00 74.43 C ATOM 0 H LEU A 90 0.153 -11.360 -2.423 1.00 53.41 H new ATOM 0 HA LEU A 90 1.087 -8.829 -1.890 1.00 12.33 H new ATOM 0 HB2 LEU A 90 0.295 -10.227 -4.083 1.00 74.53 H new ATOM 0 HB3 LEU A 90 -1.050 -9.112 -3.946 1.00 74.53 H new ATOM 0 HG LEU A 90 0.506 -7.202 -4.053 1.00 33.31 H new ATOM 0 HD11 LEU A 90 2.863 -7.581 -4.663 1.00 65.00 H new ATOM 0 HD12 LEU A 90 2.475 -8.263 -3.065 1.00 65.00 H new ATOM 0 HD13 LEU A 90 2.624 -9.335 -4.478 1.00 65.00 H new ATOM 0 HD21 LEU A 90 1.138 -7.463 -6.421 1.00 74.43 H new ATOM 0 HD22 LEU A 90 0.831 -9.212 -6.306 1.00 74.43 H new ATOM 0 HD23 LEU A 90 -0.510 -8.059 -6.107 1.00 74.43 H new ATOM 1419 N GLN A 91 -2.180 -9.056 -1.483 1.00 70.41 N ATOM 1420 CA GLN A 91 -3.337 -8.388 -0.900 1.00 33.22 C ATOM 1421 C GLN A 91 -3.915 -9.205 0.251 1.00 70.50 C ATOM 1422 O GLN A 91 -4.389 -8.652 1.243 1.00 14.02 O ATOM 1423 CB GLN A 91 -4.410 -8.157 -1.965 1.00 40.25 C ATOM 1424 CG GLN A 91 -4.830 -9.425 -2.692 1.00 3.44 C ATOM 1425 CD GLN A 91 -5.931 -10.175 -1.968 1.00 5.53 C ATOM 1426 OE1 GLN A 91 -6.663 -9.600 -1.161 1.00 45.24 O ATOM 1427 NE2 GLN A 91 -6.054 -11.466 -2.252 1.00 42.44 N ATOM 0 H GLN A 91 -2.368 -9.995 -1.835 1.00 70.41 H new ATOM 0 HA GLN A 91 -3.009 -7.425 -0.509 1.00 33.22 H new ATOM 0 HB2 GLN A 91 -5.286 -7.711 -1.495 1.00 40.25 H new ATOM 0 HB3 GLN A 91 -4.038 -7.437 -2.694 1.00 40.25 H new ATOM 0 HG2 GLN A 91 -5.169 -9.168 -3.696 1.00 3.44 H new ATOM 0 HG3 GLN A 91 -3.965 -10.078 -2.805 1.00 3.44 H new ATOM 0 HE21 GLN A 91 -5.426 -11.902 -2.927 1.00 42.44 H new ATOM 0 HE22 GLN A 91 -6.777 -12.022 -1.795 1.00 42.44 H new ATOM 1436 N LYS A 92 -3.872 -10.526 0.112 1.00 74.21 N ATOM 1437 CA LYS A 92 -4.390 -11.421 1.140 1.00 75.44 C ATOM 1438 C LYS A 92 -3.275 -11.883 2.072 1.00 61.23 C ATOM 1439 O LYS A 92 -3.499 -12.103 3.262 1.00 4.13 O ATOM 1440 CB LYS A 92 -5.066 -12.634 0.495 1.00 31.14 C ATOM 1441 CG LYS A 92 -5.384 -13.747 1.479 1.00 64.22 C ATOM 1442 CD LYS A 92 -6.283 -14.801 0.856 1.00 35.52 C ATOM 1443 CE LYS A 92 -5.487 -15.789 0.017 1.00 11.10 C ATOM 1444 NZ LYS A 92 -5.035 -16.960 0.818 1.00 2.45 N ATOM 0 H LYS A 92 -3.484 -11.001 -0.703 1.00 74.21 H new ATOM 0 HA LYS A 92 -5.126 -10.872 1.728 1.00 75.44 H new ATOM 0 HB2 LYS A 92 -5.989 -12.312 0.013 1.00 31.14 H new ATOM 0 HB3 LYS A 92 -4.418 -13.027 -0.288 1.00 31.14 H new ATOM 0 HG2 LYS A 92 -4.457 -14.211 1.817 1.00 64.22 H new ATOM 0 HG3 LYS A 92 -5.870 -13.327 2.360 1.00 64.22 H new ATOM 0 HD2 LYS A 92 -6.816 -15.336 1.642 1.00 35.52 H new ATOM 0 HD3 LYS A 92 -7.035 -14.317 0.233 1.00 35.52 H new ATOM 0 HE2 LYS A 92 -6.099 -16.134 -0.816 1.00 11.10 H new ATOM 0 HE3 LYS A 92 -4.620 -15.286 -0.411 1.00 11.10 H new ATOM 0 HZ1 LYS A 92 -4.968 -17.796 0.203 1.00 2.45 H new ATOM 0 HZ2 LYS A 92 -4.102 -16.759 1.231 1.00 2.45 H new ATOM 0 HZ3 LYS A 92 -5.719 -17.144 1.580 1.00 2.45 H new TER 1458 LYS A 92