USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0496 (180deg=-0.266) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0967 X(o=-0.097,f=-0.00077) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 95:sc= 1.3 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.56 K(o=-0.56,f=-1.6) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.128 F(o=-0.92,f=-0.13) USER MOD Single : A 44 THR OG1 : rot 58:sc= 1.14 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.939 USER MOD Single : A 49 THR OG1 : rot 72:sc= 0.467 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 56:sc= 1.14 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.874 1.161 0.023 1.00 0.00 N ATOM 2 CA MET A 1 1.339 -0.069 -0.606 1.00 0.00 C ATOM 3 C MET A 1 2.817 -0.305 -0.313 1.00 0.00 C ATOM 4 O MET A 1 3.293 -1.439 -0.354 1.00 0.00 O ATOM 5 CB MET A 1 1.109 -0.013 -2.118 1.00 0.00 C ATOM 6 CG MET A 1 0.085 -1.020 -2.615 1.00 0.00 C ATOM 7 SD MET A 1 -0.367 -0.757 -4.341 1.00 0.00 S ATOM 8 CE MET A 1 0.499 -2.114 -5.128 1.00 0.00 C ATOM 0 H1 MET A 1 -0.165 1.191 0.000 1.00 0.00 H new ATOM 0 H2 MET A 1 1.200 1.191 1.010 1.00 0.00 H new ATOM 0 H3 MET A 1 1.255 1.980 -0.492 1.00 0.00 H new ATOM 0 HA MET A 1 0.768 -0.899 -0.190 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.782 0.990 -2.390 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.056 -0.189 -2.628 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.485 -2.027 -2.498 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.810 -0.958 -1.996 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.317 -2.087 -6.202 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.568 -2.022 -4.939 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.139 -3.059 -4.722 1.00 0.00 H new ATOM 18 N GLN A 2 3.537 0.773 -0.019 1.00 0.00 N ATOM 19 CA GLN A 2 4.961 0.682 0.280 1.00 0.00 C ATOM 20 C GLN A 2 5.229 0.981 1.751 1.00 0.00 C ATOM 21 O GLN A 2 4.767 1.990 2.284 1.00 0.00 O ATOM 22 CB GLN A 2 5.751 1.650 -0.602 1.00 0.00 C ATOM 23 CG GLN A 2 5.120 3.028 -0.710 1.00 0.00 C ATOM 24 CD GLN A 2 5.882 3.948 -1.643 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.944 3.592 -2.154 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.343 5.140 -1.871 1.00 0.00 N ATOM 0 H GLN A 2 3.158 1.719 0.018 1.00 0.00 H new ATOM 0 HA GLN A 2 5.286 -0.337 0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.760 1.752 -0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.846 1.224 -1.601 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.094 2.927 -1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.072 3.480 0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.461 5.394 -1.427 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.811 5.801 -2.491 1.00 0.00 H new ATOM 35 N TYR A 3 5.977 0.097 2.403 1.00 0.00 N ATOM 36 CA TYR A 3 6.304 0.266 3.814 1.00 0.00 C ATOM 37 C TYR A 3 7.785 0.587 3.995 1.00 0.00 C ATOM 38 O TYR A 3 8.621 0.200 3.179 1.00 0.00 O ATOM 39 CB TYR A 3 5.946 -0.999 4.596 1.00 0.00 C ATOM 40 CG TYR A 3 4.544 -1.499 4.329 1.00 0.00 C ATOM 41 CD1 TYR A 3 3.441 -0.866 4.889 1.00 0.00 C ATOM 42 CD2 TYR A 3 4.323 -2.605 3.517 1.00 0.00 C ATOM 43 CE1 TYR A 3 2.158 -1.320 4.648 1.00 0.00 C ATOM 44 CE2 TYR A 3 3.044 -3.065 3.270 1.00 0.00 C ATOM 45 CZ TYR A 3 1.965 -2.420 3.838 1.00 0.00 C ATOM 46 OH TYR A 3 0.690 -2.876 3.595 1.00 0.00 O ATOM 0 H TYR A 3 6.368 -0.743 1.977 1.00 0.00 H new ATOM 0 HA TYR A 3 5.720 1.102 4.199 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.657 -1.785 4.344 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.055 -0.800 5.662 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.589 -0.005 5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.165 -3.113 3.072 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.311 -0.817 5.091 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.890 -3.925 2.635 1.00 0.00 H new ATOM 0 HH TYR A 3 0.729 -3.657 3.005 1.00 0.00 H new ATOM 56 N LYS A 4 8.101 1.297 5.073 1.00 0.00 N ATOM 57 CA LYS A 4 9.480 1.670 5.366 1.00 0.00 C ATOM 58 C LYS A 4 9.846 1.314 6.803 1.00 0.00 C ATOM 59 O LYS A 4 9.112 1.634 7.739 1.00 0.00 O ATOM 60 CB LYS A 4 9.685 3.169 5.132 1.00 0.00 C ATOM 61 CG LYS A 4 11.094 3.645 5.439 1.00 0.00 C ATOM 62 CD LYS A 4 11.102 5.082 5.931 1.00 0.00 C ATOM 63 CE LYS A 4 11.027 6.068 4.775 1.00 0.00 C ATOM 64 NZ LYS A 4 11.374 7.452 5.202 1.00 0.00 N ATOM 0 H LYS A 4 7.421 1.626 5.758 1.00 0.00 H new ATOM 0 HA LYS A 4 10.132 1.111 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.450 3.402 4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.980 3.725 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.541 2.998 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.710 3.563 4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.259 5.242 6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.008 5.265 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.706 5.751 3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.021 6.059 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.311 8.093 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.711 7.764 5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.343 7.466 5.579 1.00 0.00 H new ATOM 78 N LEU A 5 10.986 0.653 6.972 1.00 0.00 N ATOM 79 CA LEU A 5 11.451 0.255 8.296 1.00 0.00 C ATOM 80 C LEU A 5 12.681 1.059 8.705 1.00 0.00 C ATOM 81 O LEU A 5 13.723 0.996 8.051 1.00 0.00 O ATOM 82 CB LEU A 5 11.774 -1.240 8.317 1.00 0.00 C ATOM 83 CG LEU A 5 12.865 -1.677 9.295 1.00 0.00 C ATOM 84 CD1 LEU A 5 12.466 -1.343 10.724 1.00 0.00 C ATOM 85 CD2 LEU A 5 13.144 -3.166 9.152 1.00 0.00 C ATOM 0 H LEU A 5 11.605 0.381 6.208 1.00 0.00 H new ATOM 0 HA LEU A 5 10.653 0.458 9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.861 -1.785 8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 5 12.072 -1.541 7.313 1.00 0.00 H new ATOM 0 HG LEU A 5 13.778 -1.132 9.058 1.00 0.00 H new ATOM 0 HD11 LEU A 5 13.255 -1.661 11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 5 12.317 -0.267 10.818 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.540 -1.861 10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 5 13.923 -3.459 9.856 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.234 -3.728 9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.475 -3.378 8.135 1.00 0.00 H new ATOM 97 N VAL A 6 12.555 1.812 9.793 1.00 0.00 N ATOM 98 CA VAL A 6 13.657 2.626 10.292 1.00 0.00 C ATOM 99 C VAL A 6 14.306 1.982 11.512 1.00 0.00 C ATOM 100 O VAL A 6 13.708 1.922 12.586 1.00 0.00 O ATOM 101 CB VAL A 6 13.185 4.044 10.663 1.00 0.00 C ATOM 102 CG1 VAL A 6 14.338 4.861 11.226 1.00 0.00 C ATOM 103 CG2 VAL A 6 12.572 4.735 9.454 1.00 0.00 C ATOM 0 H VAL A 6 11.700 1.875 10.346 1.00 0.00 H new ATOM 0 HA VAL A 6 14.390 2.695 9.488 1.00 0.00 H new ATOM 0 HB VAL A 6 12.419 3.962 11.434 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.985 5.860 11.482 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.727 4.373 12.120 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.129 4.936 10.480 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.244 5.736 9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.315 4.806 8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.717 4.159 9.100 1.00 0.00 H new ATOM 113 N ILE A 7 15.533 1.503 11.339 1.00 0.00 N ATOM 114 CA ILE A 7 16.264 0.866 12.427 1.00 0.00 C ATOM 115 C ILE A 7 17.156 1.868 13.152 1.00 0.00 C ATOM 116 O ILE A 7 17.795 2.712 12.525 1.00 0.00 O ATOM 117 CB ILE A 7 17.132 -0.300 11.915 1.00 0.00 C ATOM 118 CG1 ILE A 7 16.260 -1.344 11.215 1.00 0.00 C ATOM 119 CG2 ILE A 7 17.903 -0.930 13.065 1.00 0.00 C ATOM 120 CD1 ILE A 7 17.020 -2.202 10.229 1.00 0.00 C ATOM 0 H ILE A 7 16.042 1.544 10.456 1.00 0.00 H new ATOM 0 HA ILE A 7 15.519 0.477 13.122 1.00 0.00 H new ATOM 0 HB ILE A 7 17.849 0.089 11.193 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.803 -1.987 11.967 1.00 0.00 H new ATOM 0 HG13 ILE A 7 15.448 -0.837 10.693 1.00 0.00 H new ATOM 0 HG21 ILE A 7 18.511 -1.752 12.688 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.549 -0.181 13.524 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.202 -1.309 13.809 1.00 0.00 H new ATOM 0 HD11 ILE A 7 16.339 -2.919 9.771 1.00 0.00 H new ATOM 0 HD12 ILE A 7 17.455 -1.569 9.455 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.815 -2.737 10.749 1.00 0.00 H new ATOM 132 N ASN A 8 17.194 1.768 14.477 1.00 0.00 N ATOM 133 CA ASN A 8 18.009 2.665 15.288 1.00 0.00 C ATOM 134 C ASN A 8 19.018 1.880 16.120 1.00 0.00 C ATOM 135 O ASN A 8 18.917 1.822 17.345 1.00 0.00 O ATOM 136 CB ASN A 8 17.119 3.506 16.205 1.00 0.00 C ATOM 137 CG ASN A 8 16.833 4.881 15.631 1.00 0.00 C ATOM 138 OD1 ASN A 8 15.678 5.249 15.418 1.00 0.00 O ATOM 139 ND2 ASN A 8 17.888 5.647 15.378 1.00 0.00 N ATOM 0 H ASN A 8 16.670 1.075 15.011 1.00 0.00 H new ATOM 0 HA ASN A 8 18.556 3.327 14.616 1.00 0.00 H new ATOM 0 HB2 ASN A 8 16.178 2.983 16.373 1.00 0.00 H new ATOM 0 HB3 ASN A 8 17.602 3.614 17.176 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.758 6.582 14.991 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.828 5.300 15.570 1.00 0.00 H new ATOM 146 N GLY A 9 19.993 1.278 15.446 1.00 0.00 N ATOM 147 CA GLY A 9 21.007 0.505 16.139 1.00 0.00 C ATOM 148 C GLY A 9 22.213 1.341 16.520 1.00 0.00 C ATOM 149 O GLY A 9 22.529 2.328 15.856 1.00 0.00 O ATOM 0 H GLY A 9 20.099 1.312 14.432 1.00 0.00 H new ATOM 0 HA2 GLY A 9 20.574 0.066 17.038 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.327 -0.321 15.504 1.00 0.00 H new ATOM 153 N LYS A 10 22.888 0.947 17.595 1.00 0.00 N ATOM 154 CA LYS A 10 24.066 1.666 18.065 1.00 0.00 C ATOM 155 C LYS A 10 25.209 1.551 17.063 1.00 0.00 C ATOM 156 O LYS A 10 26.086 2.415 17.003 1.00 0.00 O ATOM 157 CB LYS A 10 24.510 1.124 19.426 1.00 0.00 C ATOM 158 CG LYS A 10 23.364 0.911 20.399 1.00 0.00 C ATOM 159 CD LYS A 10 23.138 -0.565 20.681 1.00 0.00 C ATOM 160 CE LYS A 10 23.638 -0.952 22.064 1.00 0.00 C ATOM 161 NZ LYS A 10 22.606 -0.721 23.112 1.00 0.00 N ATOM 0 H LYS A 10 22.639 0.133 18.157 1.00 0.00 H new ATOM 0 HA LYS A 10 23.802 2.718 18.168 1.00 0.00 H new ATOM 0 HB2 LYS A 10 25.031 0.178 19.279 1.00 0.00 H new ATOM 0 HB3 LYS A 10 25.226 1.817 19.867 1.00 0.00 H new ATOM 0 HG2 LYS A 10 23.577 1.432 21.332 1.00 0.00 H new ATOM 0 HG3 LYS A 10 22.453 1.348 19.990 1.00 0.00 H new ATOM 0 HD2 LYS A 10 22.075 -0.793 20.600 1.00 0.00 H new ATOM 0 HD3 LYS A 10 23.650 -1.163 19.927 1.00 0.00 H new ATOM 0 HE2 LYS A 10 23.927 -2.003 22.065 1.00 0.00 H new ATOM 0 HE3 LYS A 10 24.532 -0.375 22.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 22.986 -0.997 24.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 22.348 0.286 23.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 21.762 -1.291 22.900 1.00 0.00 H new ATOM 175 N THR A 11 25.195 0.481 16.274 1.00 0.00 N ATOM 176 CA THR A 11 26.230 0.254 15.274 1.00 0.00 C ATOM 177 C THR A 11 25.627 0.109 13.882 1.00 0.00 C ATOM 178 O THR A 11 26.316 -0.263 12.931 1.00 0.00 O ATOM 179 CB THR A 11 27.057 -1.005 15.597 1.00 0.00 C ATOM 180 OG1 THR A 11 26.654 -1.545 16.860 1.00 0.00 O ATOM 181 CG2 THR A 11 28.543 -0.684 15.627 1.00 0.00 C ATOM 0 H THR A 11 24.477 -0.243 16.309 1.00 0.00 H new ATOM 0 HA THR A 11 26.885 1.125 15.294 1.00 0.00 H new ATOM 0 HB THR A 11 26.877 -1.742 14.814 1.00 0.00 H new ATOM 0 HG1 THR A 11 27.183 -2.346 17.057 1.00 0.00 H new ATOM 0 HG21 THR A 11 29.106 -1.589 15.857 1.00 0.00 H new ATOM 0 HG22 THR A 11 28.852 -0.302 14.654 1.00 0.00 H new ATOM 0 HG23 THR A 11 28.737 0.069 16.391 1.00 0.00 H new ATOM 189 N LEU A 12 24.337 0.406 13.767 1.00 0.00 N ATOM 190 CA LEU A 12 23.641 0.310 12.489 1.00 0.00 C ATOM 191 C LEU A 12 22.529 1.350 12.395 1.00 0.00 C ATOM 192 O LEU A 12 21.640 1.404 13.246 1.00 0.00 O ATOM 193 CB LEU A 12 23.059 -1.093 12.307 1.00 0.00 C ATOM 194 CG LEU A 12 23.479 -1.834 11.037 1.00 0.00 C ATOM 195 CD1 LEU A 12 24.994 -1.855 10.907 1.00 0.00 C ATOM 196 CD2 LEU A 12 22.922 -3.250 11.037 1.00 0.00 C ATOM 0 H LEU A 12 23.752 0.715 14.543 1.00 0.00 H new ATOM 0 HA LEU A 12 24.362 0.503 11.695 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.345 -1.698 13.168 1.00 0.00 H new ATOM 0 HB3 LEU A 12 21.972 -1.018 12.317 1.00 0.00 H new ATOM 0 HG LEU A 12 23.069 -1.304 10.178 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.274 -2.387 9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.369 -0.833 10.860 1.00 0.00 H new ATOM 0 HD13 LEU A 12 25.426 -2.361 11.770 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.231 -3.762 10.126 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.302 -3.790 11.904 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.834 -3.213 11.081 1.00 0.00 H new ATOM 208 N LYS A 13 22.583 2.174 11.354 1.00 0.00 N ATOM 209 CA LYS A 13 21.580 3.211 11.146 1.00 0.00 C ATOM 210 C LYS A 13 21.273 3.381 9.661 1.00 0.00 C ATOM 211 O LYS A 13 21.813 4.270 9.004 1.00 0.00 O ATOM 212 CB LYS A 13 22.060 4.540 11.733 1.00 0.00 C ATOM 213 CG LYS A 13 21.832 4.661 13.230 1.00 0.00 C ATOM 214 CD LYS A 13 23.137 4.885 13.976 1.00 0.00 C ATOM 215 CE LYS A 13 22.963 5.874 15.119 1.00 0.00 C ATOM 216 NZ LYS A 13 23.176 7.279 14.674 1.00 0.00 N ATOM 0 H LYS A 13 23.312 2.143 10.641 1.00 0.00 H new ATOM 0 HA LYS A 13 20.667 2.905 11.656 1.00 0.00 H new ATOM 0 HB2 LYS A 13 23.124 4.656 11.525 1.00 0.00 H new ATOM 0 HB3 LYS A 13 21.545 5.358 11.228 1.00 0.00 H new ATOM 0 HG2 LYS A 13 21.151 5.488 13.430 1.00 0.00 H new ATOM 0 HG3 LYS A 13 21.351 3.756 13.600 1.00 0.00 H new ATOM 0 HD2 LYS A 13 23.501 3.935 14.368 1.00 0.00 H new ATOM 0 HD3 LYS A 13 23.894 5.256 13.285 1.00 0.00 H new ATOM 0 HE2 LYS A 13 21.961 5.773 15.537 1.00 0.00 H new ATOM 0 HE3 LYS A 13 23.667 5.635 15.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 23.049 7.922 15.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 24.140 7.382 14.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 22.488 7.516 13.931 1.00 0.00 H new ATOM 230 N GLY A 14 20.401 2.523 9.139 1.00 0.00 N ATOM 231 CA GLY A 14 20.037 2.596 7.737 1.00 0.00 C ATOM 232 C GLY A 14 18.539 2.521 7.522 1.00 0.00 C ATOM 233 O GLY A 14 17.772 2.435 8.480 1.00 0.00 O ATOM 0 H GLY A 14 19.941 1.779 9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 14 20.415 3.527 7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 14 20.520 1.782 7.197 1.00 0.00 H new ATOM 237 N GLU A 15 18.121 2.555 6.260 1.00 0.00 N ATOM 238 CA GLU A 15 16.703 2.493 5.924 1.00 0.00 C ATOM 239 C GLU A 15 16.408 1.293 5.029 1.00 0.00 C ATOM 240 O GLU A 15 17.278 0.821 4.296 1.00 0.00 O ATOM 241 CB GLU A 15 16.264 3.783 5.227 1.00 0.00 C ATOM 242 CG GLU A 15 15.670 4.814 6.172 1.00 0.00 C ATOM 243 CD GLU A 15 16.635 5.940 6.487 1.00 0.00 C ATOM 244 OE1 GLU A 15 17.825 5.653 6.731 1.00 0.00 O ATOM 245 OE2 GLU A 15 16.198 7.111 6.489 1.00 0.00 O ATOM 0 H GLU A 15 18.743 2.625 5.455 1.00 0.00 H new ATOM 0 HA GLU A 15 16.141 2.380 6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.123 4.221 4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.529 3.539 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.765 5.229 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.374 4.324 7.099 1.00 0.00 H new ATOM 252 N THR A 16 15.175 0.801 5.096 1.00 0.00 N ATOM 253 CA THR A 16 14.764 -0.345 4.295 1.00 0.00 C ATOM 254 C THR A 16 13.303 -0.229 3.876 1.00 0.00 C ATOM 255 O THR A 16 12.397 -0.499 4.665 1.00 0.00 O ATOM 256 CB THR A 16 14.964 -1.666 5.061 1.00 0.00 C ATOM 257 OG1 THR A 16 14.202 -2.710 4.443 1.00 0.00 O ATOM 258 CG2 THR A 16 14.543 -1.517 6.515 1.00 0.00 C ATOM 0 H THR A 16 14.443 1.179 5.698 1.00 0.00 H new ATOM 0 HA THR A 16 15.394 -0.350 3.405 1.00 0.00 H new ATOM 0 HB THR A 16 16.023 -1.922 5.030 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.335 -3.547 4.935 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.693 -2.463 7.036 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.144 -0.741 6.990 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.490 -1.240 6.562 1.00 0.00 H new ATOM 266 N THR A 17 13.080 0.176 2.630 1.00 0.00 N ATOM 267 CA THR A 17 11.728 0.328 2.107 1.00 0.00 C ATOM 268 C THR A 17 11.367 -0.821 1.172 1.00 0.00 C ATOM 269 O THR A 17 12.193 -1.272 0.377 1.00 0.00 O ATOM 270 CB THR A 17 11.565 1.660 1.351 1.00 0.00 C ATOM 271 OG1 THR A 17 12.046 1.524 0.009 1.00 0.00 O ATOM 272 CG2 THR A 17 12.320 2.778 2.054 1.00 0.00 C ATOM 0 H THR A 17 13.818 0.405 1.964 1.00 0.00 H new ATOM 0 HA THR A 17 11.055 0.320 2.964 1.00 0.00 H new ATOM 0 HB THR A 17 10.505 1.914 1.333 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.937 2.375 -0.465 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.190 3.708 1.501 1.00 0.00 H new ATOM 0 HG22 THR A 17 11.932 2.899 3.065 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.380 2.528 2.100 1.00 0.00 H new ATOM 280 N THR A 18 10.128 -1.291 1.271 1.00 0.00 N ATOM 281 CA THR A 18 9.657 -2.388 0.435 1.00 0.00 C ATOM 282 C THR A 18 8.156 -2.289 0.191 1.00 0.00 C ATOM 283 O THR A 18 7.506 -1.342 0.633 1.00 0.00 O ATOM 284 CB THR A 18 9.974 -3.755 1.071 1.00 0.00 C ATOM 285 OG1 THR A 18 9.790 -4.798 0.107 1.00 0.00 O ATOM 286 CG2 THR A 18 9.083 -4.010 2.277 1.00 0.00 C ATOM 0 H THR A 18 9.432 -0.929 1.923 1.00 0.00 H new ATOM 0 HA THR A 18 10.182 -2.308 -0.517 1.00 0.00 H new ATOM 0 HB THR A 18 11.013 -3.745 1.402 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.995 -5.664 0.518 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.325 -4.981 2.709 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.246 -3.230 3.021 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.038 -4.002 1.966 1.00 0.00 H new ATOM 294 N LYS A 19 7.610 -3.273 -0.516 1.00 0.00 N ATOM 295 CA LYS A 19 6.184 -3.299 -0.817 1.00 0.00 C ATOM 296 C LYS A 19 5.560 -4.622 -0.385 1.00 0.00 C ATOM 297 O LYS A 19 6.211 -5.666 -0.416 1.00 0.00 O ATOM 298 CB LYS A 19 5.954 -3.081 -2.315 1.00 0.00 C ATOM 299 CG LYS A 19 6.255 -4.305 -3.161 1.00 0.00 C ATOM 300 CD LYS A 19 7.183 -3.971 -4.316 1.00 0.00 C ATOM 301 CE LYS A 19 6.461 -3.190 -5.404 1.00 0.00 C ATOM 302 NZ LYS A 19 7.081 -1.855 -5.633 1.00 0.00 N ATOM 0 H LYS A 19 8.134 -4.063 -0.891 1.00 0.00 H new ATOM 0 HA LYS A 19 5.706 -2.493 -0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.917 -2.785 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.578 -2.254 -2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.710 -5.075 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.324 -4.718 -3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.028 -3.389 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.589 -4.891 -4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.476 -3.761 -6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.415 -3.062 -5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.560 -1.354 -6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.044 -1.300 -4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.072 -1.978 -5.923 1.00 0.00 H new ATOM 316 N ALA A 20 4.294 -4.570 0.018 1.00 0.00 N ATOM 317 CA ALA A 20 3.582 -5.765 0.454 1.00 0.00 C ATOM 318 C ALA A 20 2.072 -5.557 0.392 1.00 0.00 C ATOM 319 O ALA A 20 1.570 -4.482 0.719 1.00 0.00 O ATOM 320 CB ALA A 20 4.007 -6.148 1.863 1.00 0.00 C ATOM 0 H ALA A 20 3.741 -3.714 0.051 1.00 0.00 H new ATOM 0 HA ALA A 20 3.838 -6.579 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.467 -7.042 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.079 -6.347 1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.780 -5.330 2.547 1.00 0.00 H new ATOM 326 N VAL A 21 1.354 -6.593 -0.030 1.00 0.00 N ATOM 327 CA VAL A 21 -0.099 -6.523 -0.134 1.00 0.00 C ATOM 328 C VAL A 21 -0.720 -6.022 1.165 1.00 0.00 C ATOM 329 O VAL A 21 -1.648 -5.213 1.150 1.00 0.00 O ATOM 330 CB VAL A 21 -0.703 -7.897 -0.482 1.00 0.00 C ATOM 331 CG1 VAL A 21 -0.378 -8.275 -1.919 1.00 0.00 C ATOM 332 CG2 VAL A 21 -0.201 -8.959 0.484 1.00 0.00 C ATOM 0 H VAL A 21 1.754 -7.490 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.325 -5.820 -0.936 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.787 -7.833 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.813 -9.248 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.791 -7.526 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.703 -8.322 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.638 -9.923 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.885 -9.024 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.490 -8.692 1.500 1.00 0.00 H new ATOM 342 N ASP A 22 -0.201 -6.507 2.288 1.00 0.00 N ATOM 343 CA ASP A 22 -0.703 -6.107 3.598 1.00 0.00 C ATOM 344 C ASP A 22 0.446 -5.891 4.577 1.00 0.00 C ATOM 345 O ASP A 22 1.613 -6.064 4.228 1.00 0.00 O ATOM 346 CB ASP A 22 -1.664 -7.165 4.144 1.00 0.00 C ATOM 347 CG ASP A 22 -0.955 -8.451 4.521 1.00 0.00 C ATOM 348 OD1 ASP A 22 0.210 -8.630 4.107 1.00 0.00 O ATOM 349 OD2 ASP A 22 -1.565 -9.277 5.231 1.00 0.00 O ATOM 0 H ASP A 22 0.567 -7.178 2.318 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.240 -5.165 3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.179 -6.767 5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.427 -7.380 3.396 1.00 0.00 H new ATOM 354 N ALA A 23 0.107 -5.512 5.805 1.00 0.00 N ATOM 355 CA ALA A 23 1.110 -5.273 6.835 1.00 0.00 C ATOM 356 C ALA A 23 1.761 -6.578 7.281 1.00 0.00 C ATOM 357 O ALA A 23 2.981 -6.660 7.413 1.00 0.00 O ATOM 358 CB ALA A 23 0.485 -4.560 8.025 1.00 0.00 C ATOM 0 H ALA A 23 -0.855 -5.364 6.111 1.00 0.00 H new ATOM 0 HA ALA A 23 1.886 -4.637 6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.246 -4.388 8.787 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.073 -3.604 7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.312 -5.176 8.441 1.00 0.00 H new ATOM 364 N GLU A 24 0.938 -7.597 7.511 1.00 0.00 N ATOM 365 CA GLU A 24 1.435 -8.897 7.943 1.00 0.00 C ATOM 366 C GLU A 24 2.565 -9.376 7.037 1.00 0.00 C ATOM 367 O GLU A 24 3.555 -9.941 7.505 1.00 0.00 O ATOM 368 CB GLU A 24 0.301 -9.925 7.949 1.00 0.00 C ATOM 369 CG GLU A 24 0.779 -11.358 8.116 1.00 0.00 C ATOM 370 CD GLU A 24 -0.365 -12.341 8.269 1.00 0.00 C ATOM 371 OE1 GLU A 24 -0.965 -12.388 9.363 1.00 0.00 O ATOM 372 OE2 GLU A 24 -0.661 -13.062 7.293 1.00 0.00 O ATOM 0 H GLU A 24 -0.075 -7.547 7.405 1.00 0.00 H new ATOM 0 HA GLU A 24 1.825 -8.790 8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.391 -9.685 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.257 -9.843 7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.381 -11.639 7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.427 -11.421 8.990 1.00 0.00 H new ATOM 379 N THR A 25 2.411 -9.147 5.737 1.00 0.00 N ATOM 380 CA THR A 25 3.417 -9.556 4.764 1.00 0.00 C ATOM 381 C THR A 25 4.706 -8.761 4.939 1.00 0.00 C ATOM 382 O THR A 25 5.800 -9.324 4.929 1.00 0.00 O ATOM 383 CB THR A 25 2.908 -9.377 3.321 1.00 0.00 C ATOM 384 OG1 THR A 25 1.862 -10.317 3.051 1.00 0.00 O ATOM 385 CG2 THR A 25 4.039 -9.567 2.321 1.00 0.00 C ATOM 0 H THR A 25 1.599 -8.680 5.333 1.00 0.00 H new ATOM 0 HA THR A 25 3.618 -10.612 4.942 1.00 0.00 H new ATOM 0 HB THR A 25 2.520 -8.363 3.218 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.993 -9.894 3.212 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.656 -9.436 1.309 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.820 -8.831 2.511 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.452 -10.570 2.425 1.00 0.00 H new ATOM 393 N ALA A 26 4.569 -7.448 5.099 1.00 0.00 N ATOM 394 CA ALA A 26 5.723 -6.576 5.279 1.00 0.00 C ATOM 395 C ALA A 26 6.442 -6.880 6.589 1.00 0.00 C ATOM 396 O ALA A 26 7.671 -6.870 6.649 1.00 0.00 O ATOM 397 CB ALA A 26 5.293 -5.117 5.236 1.00 0.00 C ATOM 0 H ALA A 26 3.670 -6.966 5.108 1.00 0.00 H new ATOM 0 HA ALA A 26 6.420 -6.762 4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.165 -4.477 5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.831 -4.902 4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.575 -4.926 6.033 1.00 0.00 H new ATOM 403 N GLU A 27 5.667 -7.149 7.635 1.00 0.00 N ATOM 404 CA GLU A 27 6.232 -7.453 8.944 1.00 0.00 C ATOM 405 C GLU A 27 7.280 -8.558 8.841 1.00 0.00 C ATOM 406 O GLU A 27 8.435 -8.372 9.226 1.00 0.00 O ATOM 407 CB GLU A 27 5.127 -7.874 9.916 1.00 0.00 C ATOM 408 CG GLU A 27 5.606 -8.037 11.349 1.00 0.00 C ATOM 409 CD GLU A 27 4.485 -7.886 12.359 1.00 0.00 C ATOM 410 OE1 GLU A 27 3.312 -8.071 11.974 1.00 0.00 O ATOM 411 OE2 GLU A 27 4.781 -7.583 13.534 1.00 0.00 O ATOM 0 H GLU A 27 4.648 -7.163 7.601 1.00 0.00 H new ATOM 0 HA GLU A 27 6.714 -6.551 9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.330 -7.131 9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.696 -8.816 9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.065 -9.019 11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.379 -7.297 11.556 1.00 0.00 H new ATOM 418 N LYS A 28 6.870 -9.708 8.318 1.00 0.00 N ATOM 419 CA LYS A 28 7.771 -10.843 8.163 1.00 0.00 C ATOM 420 C LYS A 28 8.924 -10.498 7.225 1.00 0.00 C ATOM 421 O LYS A 28 10.053 -10.945 7.424 1.00 0.00 O ATOM 422 CB LYS A 28 7.009 -12.057 7.626 1.00 0.00 C ATOM 423 CG LYS A 28 7.283 -13.337 8.396 1.00 0.00 C ATOM 424 CD LYS A 28 6.000 -13.952 8.929 1.00 0.00 C ATOM 425 CE LYS A 28 6.043 -15.472 8.867 1.00 0.00 C ATOM 426 NZ LYS A 28 4.686 -16.071 8.999 1.00 0.00 N ATOM 0 H LYS A 28 5.918 -9.879 7.994 1.00 0.00 H new ATOM 0 HA LYS A 28 8.182 -11.085 9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.940 -11.847 7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.275 -12.208 6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.788 -14.052 7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.959 -13.127 9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.843 -13.633 9.959 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.152 -13.587 8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.488 -15.784 7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.686 -15.850 9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.758 -17.107 8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.271 -15.794 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.080 -15.731 8.226 1.00 0.00 H new ATOM 440 N ALA A 29 8.631 -9.700 6.203 1.00 0.00 N ATOM 441 CA ALA A 29 9.643 -9.293 5.237 1.00 0.00 C ATOM 442 C ALA A 29 10.751 -8.489 5.909 1.00 0.00 C ATOM 443 O ALA A 29 11.931 -8.819 5.791 1.00 0.00 O ATOM 444 CB ALA A 29 9.008 -8.485 4.116 1.00 0.00 C ATOM 0 H ALA A 29 7.701 -9.323 6.023 1.00 0.00 H new ATOM 0 HA ALA A 29 10.088 -10.193 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.776 -8.188 3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.257 -9.092 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.535 -7.595 4.532 1.00 0.00 H new ATOM 450 N PHE A 30 10.363 -7.430 6.614 1.00 0.00 N ATOM 451 CA PHE A 30 11.324 -6.577 7.303 1.00 0.00 C ATOM 452 C PHE A 30 12.075 -7.361 8.376 1.00 0.00 C ATOM 453 O PHE A 30 13.272 -7.159 8.586 1.00 0.00 O ATOM 454 CB PHE A 30 10.613 -5.379 7.935 1.00 0.00 C ATOM 455 CG PHE A 30 10.143 -4.364 6.932 1.00 0.00 C ATOM 456 CD1 PHE A 30 11.021 -3.831 6.003 1.00 0.00 C ATOM 457 CD2 PHE A 30 8.822 -3.945 6.919 1.00 0.00 C ATOM 458 CE1 PHE A 30 10.590 -2.896 5.080 1.00 0.00 C ATOM 459 CE2 PHE A 30 8.386 -3.011 5.998 1.00 0.00 C ATOM 460 CZ PHE A 30 9.271 -2.487 5.076 1.00 0.00 C ATOM 0 H PHE A 30 9.390 -7.143 6.723 1.00 0.00 H new ATOM 0 HA PHE A 30 12.045 -6.217 6.569 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.757 -5.735 8.508 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.289 -4.895 8.640 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.053 -4.149 5.999 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.125 -4.353 7.637 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.285 -2.486 4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.354 -2.691 5.999 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.932 -1.759 4.354 1.00 0.00 H new ATOM 470 N LYS A 31 11.364 -8.256 9.053 1.00 0.00 N ATOM 471 CA LYS A 31 11.961 -9.072 10.104 1.00 0.00 C ATOM 472 C LYS A 31 13.107 -9.914 9.554 1.00 0.00 C ATOM 473 O LYS A 31 13.949 -10.400 10.309 1.00 0.00 O ATOM 474 CB LYS A 31 10.903 -9.980 10.735 1.00 0.00 C ATOM 475 CG LYS A 31 11.261 -10.449 12.135 1.00 0.00 C ATOM 476 CD LYS A 31 10.019 -10.773 12.949 1.00 0.00 C ATOM 477 CE LYS A 31 9.535 -9.562 13.732 1.00 0.00 C ATOM 478 NZ LYS A 31 8.244 -9.040 13.204 1.00 0.00 N ATOM 0 H LYS A 31 10.373 -8.435 8.893 1.00 0.00 H new ATOM 0 HA LYS A 31 12.359 -8.403 10.867 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.953 -9.446 10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.755 -10.851 10.096 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.897 -11.332 12.072 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.838 -9.676 12.642 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.227 -11.118 12.285 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.236 -11.590 13.637 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.416 -9.832 14.781 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.289 -8.776 13.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.948 -8.215 13.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.364 -8.759 12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.517 -9.781 13.269 1.00 0.00 H new ATOM 492 N GLN A 32 13.135 -10.080 8.236 1.00 0.00 N ATOM 493 CA GLN A 32 14.179 -10.863 7.586 1.00 0.00 C ATOM 494 C GLN A 32 15.417 -10.010 7.329 1.00 0.00 C ATOM 495 O GLN A 32 16.485 -10.531 7.004 1.00 0.00 O ATOM 496 CB GLN A 32 13.664 -11.447 6.270 1.00 0.00 C ATOM 497 CG GLN A 32 14.208 -12.833 5.965 1.00 0.00 C ATOM 498 CD GLN A 32 14.586 -13.005 4.507 1.00 0.00 C ATOM 499 OE1 GLN A 32 13.902 -13.699 3.754 1.00 0.00 O ATOM 500 NE2 GLN A 32 15.680 -12.372 4.101 1.00 0.00 N ATOM 0 H GLN A 32 12.446 -9.683 7.597 1.00 0.00 H new ATOM 0 HA GLN A 32 14.455 -11.680 8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.575 -11.492 6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 32 13.930 -10.774 5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 32 15.083 -13.021 6.588 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.460 -13.579 6.233 1.00 0.00 H new ATOM 0 HE21 GLN A 32 16.217 -11.807 4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.984 -12.450 3.130 1.00 0.00 H new ATOM 509 N TYR A 33 15.267 -8.699 7.474 1.00 0.00 N ATOM 510 CA TYR A 33 16.373 -7.774 7.254 1.00 0.00 C ATOM 511 C TYR A 33 17.168 -7.560 8.539 1.00 0.00 C ATOM 512 O TYR A 33 18.362 -7.851 8.598 1.00 0.00 O ATOM 513 CB TYR A 33 15.848 -6.433 6.737 1.00 0.00 C ATOM 514 CG TYR A 33 16.881 -5.631 5.978 1.00 0.00 C ATOM 515 CD1 TYR A 33 17.498 -6.150 4.847 1.00 0.00 C ATOM 516 CD2 TYR A 33 17.240 -4.354 6.393 1.00 0.00 C ATOM 517 CE1 TYR A 33 18.443 -5.421 4.151 1.00 0.00 C ATOM 518 CE2 TYR A 33 18.183 -3.618 5.702 1.00 0.00 C ATOM 519 CZ TYR A 33 18.782 -4.156 4.582 1.00 0.00 C ATOM 520 OH TYR A 33 19.722 -3.426 3.892 1.00 0.00 O ATOM 0 H TYR A 33 14.390 -8.252 7.743 1.00 0.00 H new ATOM 0 HA TYR A 33 17.035 -8.210 6.507 1.00 0.00 H new ATOM 0 HB2 TYR A 33 14.991 -6.614 6.088 1.00 0.00 H new ATOM 0 HB3 TYR A 33 15.490 -5.843 7.581 1.00 0.00 H new ATOM 0 HD1 TYR A 33 17.235 -7.140 4.506 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.774 -3.930 7.270 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.914 -5.840 3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 33 18.450 -2.627 6.037 1.00 0.00 H new ATOM 0 HH TYR A 33 19.844 -2.556 4.326 1.00 0.00 H new ATOM 530 N ALA A 34 16.496 -7.050 9.565 1.00 0.00 N ATOM 531 CA ALA A 34 17.138 -6.799 10.850 1.00 0.00 C ATOM 532 C ALA A 34 17.890 -8.033 11.337 1.00 0.00 C ATOM 533 O ALA A 34 19.062 -7.953 11.701 1.00 0.00 O ATOM 534 CB ALA A 34 16.105 -6.367 11.880 1.00 0.00 C ATOM 0 H ALA A 34 15.507 -6.802 9.532 1.00 0.00 H new ATOM 0 HA ALA A 34 17.861 -5.994 10.717 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.598 -6.183 12.835 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.615 -5.454 11.543 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.361 -7.154 12.002 1.00 0.00 H new ATOM 540 N ASN A 35 17.207 -9.173 11.343 1.00 0.00 N ATOM 541 CA ASN A 35 17.811 -10.424 11.787 1.00 0.00 C ATOM 542 C ASN A 35 19.072 -10.734 10.986 1.00 0.00 C ATOM 543 O ASN A 35 20.021 -11.322 11.505 1.00 0.00 O ATOM 544 CB ASN A 35 16.811 -11.574 11.652 1.00 0.00 C ATOM 545 CG ASN A 35 17.400 -12.905 12.078 1.00 0.00 C ATOM 546 OD1 ASN A 35 18.432 -12.954 12.746 1.00 0.00 O ATOM 547 ND2 ASN A 35 16.744 -13.993 11.691 1.00 0.00 N ATOM 0 H ASN A 35 16.235 -9.256 11.045 1.00 0.00 H new ATOM 0 HA ASN A 35 18.087 -10.313 12.836 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.930 -11.359 12.257 1.00 0.00 H new ATOM 0 HB3 ASN A 35 16.477 -11.642 10.617 1.00 0.00 H new ATOM 0 HD21 ASN A 35 17.093 -14.917 11.947 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.892 -13.905 11.138 1.00 0.00 H new ATOM 554 N ASP A 36 19.075 -10.333 9.720 1.00 0.00 N ATOM 555 CA ASP A 36 20.219 -10.567 8.847 1.00 0.00 C ATOM 556 C ASP A 36 21.221 -9.421 8.946 1.00 0.00 C ATOM 557 O ASP A 36 22.300 -9.474 8.358 1.00 0.00 O ATOM 558 CB ASP A 36 19.757 -10.732 7.398 1.00 0.00 C ATOM 559 CG ASP A 36 20.504 -11.835 6.674 1.00 0.00 C ATOM 560 OD1 ASP A 36 21.567 -11.545 6.086 1.00 0.00 O ATOM 561 OD2 ASP A 36 20.027 -12.988 6.697 1.00 0.00 O ATOM 0 H ASP A 36 18.298 -9.844 9.275 1.00 0.00 H new ATOM 0 HA ASP A 36 20.710 -11.485 9.171 1.00 0.00 H new ATOM 0 HB2 ASP A 36 18.689 -10.950 7.383 1.00 0.00 H new ATOM 0 HB3 ASP A 36 19.898 -9.791 6.865 1.00 0.00 H new ATOM 566 N ASN A 37 20.856 -8.385 9.695 1.00 0.00 N ATOM 567 CA ASN A 37 21.722 -7.225 9.871 1.00 0.00 C ATOM 568 C ASN A 37 22.223 -7.133 11.309 1.00 0.00 C ATOM 569 O ASN A 37 22.872 -6.160 11.690 1.00 0.00 O ATOM 570 CB ASN A 37 20.976 -5.943 9.496 1.00 0.00 C ATOM 571 CG ASN A 37 20.944 -5.710 7.997 1.00 0.00 C ATOM 572 OD1 ASN A 37 19.751 -5.751 7.417 1.00 0.00 O flip ATOM 573 ND2 ASN A 37 21.981 -5.494 7.370 1.00 0.00 N flip ATOM 0 H ASN A 37 19.966 -8.325 10.190 1.00 0.00 H new ATOM 0 HA ASN A 37 22.582 -7.342 9.212 1.00 0.00 H new ATOM 0 HB2 ASN A 37 19.955 -5.996 9.875 1.00 0.00 H new ATOM 0 HB3 ASN A 37 21.453 -5.093 9.983 1.00 0.00 H new ATOM 0 HD21 ASN A 37 22.877 -5.472 7.858 1.00 0.00 H new ATOM 0 HD22 ASN A 37 21.945 -5.337 6.363 1.00 0.00 H new ATOM 580 N GLY A 38 21.916 -8.154 12.103 1.00 0.00 N ATOM 581 CA GLY A 38 22.343 -8.169 13.490 1.00 0.00 C ATOM 582 C GLY A 38 21.580 -7.174 14.343 1.00 0.00 C ATOM 583 O GLY A 38 22.167 -6.475 15.168 1.00 0.00 O ATOM 0 H GLY A 38 21.379 -8.971 11.811 1.00 0.00 H new ATOM 0 HA2 GLY A 38 22.208 -9.171 13.898 1.00 0.00 H new ATOM 0 HA3 GLY A 38 23.408 -7.945 13.541 1.00 0.00 H new ATOM 587 N VAL A 39 20.268 -7.109 14.142 1.00 0.00 N ATOM 588 CA VAL A 39 19.423 -6.192 14.898 1.00 0.00 C ATOM 589 C VAL A 39 18.308 -6.940 15.619 1.00 0.00 C ATOM 590 O VAL A 39 17.733 -7.888 15.082 1.00 0.00 O ATOM 591 CB VAL A 39 18.800 -5.120 13.984 1.00 0.00 C ATOM 592 CG1 VAL A 39 17.929 -4.170 14.792 1.00 0.00 C ATOM 593 CG2 VAL A 39 19.886 -4.358 13.240 1.00 0.00 C ATOM 0 H VAL A 39 19.767 -7.681 13.462 1.00 0.00 H new ATOM 0 HA VAL A 39 20.063 -5.704 15.633 1.00 0.00 H new ATOM 0 HB VAL A 39 18.168 -5.617 13.248 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.497 -3.420 14.130 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.129 -4.731 15.275 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.536 -3.677 15.552 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.428 -3.605 12.599 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.546 -3.871 13.958 1.00 0.00 H new ATOM 0 HG23 VAL A 39 20.464 -5.052 12.629 1.00 0.00 H new ATOM 603 N ASP A 40 18.006 -6.509 16.838 1.00 0.00 N ATOM 604 CA ASP A 40 16.957 -7.137 17.634 1.00 0.00 C ATOM 605 C ASP A 40 16.553 -6.244 18.803 1.00 0.00 C ATOM 606 O ASP A 40 17.394 -5.829 19.600 1.00 0.00 O ATOM 607 CB ASP A 40 17.426 -8.497 18.153 1.00 0.00 C ATOM 608 CG ASP A 40 16.270 -9.416 18.495 1.00 0.00 C ATOM 609 OD1 ASP A 40 15.357 -8.975 19.225 1.00 0.00 O ATOM 610 OD2 ASP A 40 16.278 -10.576 18.033 1.00 0.00 O ATOM 0 H ASP A 40 18.473 -5.727 17.297 1.00 0.00 H new ATOM 0 HA ASP A 40 16.087 -7.282 16.994 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.054 -8.973 17.400 1.00 0.00 H new ATOM 0 HB3 ASP A 40 18.045 -8.351 19.038 1.00 0.00 H new ATOM 615 N GLY A 41 15.260 -5.950 18.898 1.00 0.00 N ATOM 616 CA GLY A 41 14.768 -5.107 19.972 1.00 0.00 C ATOM 617 C GLY A 41 13.268 -4.895 19.902 1.00 0.00 C ATOM 618 O GLY A 41 12.496 -5.853 19.946 1.00 0.00 O ATOM 0 H GLY A 41 14.544 -6.280 18.251 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.024 -5.559 20.930 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.271 -4.141 19.931 1.00 0.00 H new ATOM 622 N VAL A 42 12.854 -3.637 19.795 1.00 0.00 N ATOM 623 CA VAL A 42 11.437 -3.302 19.720 1.00 0.00 C ATOM 624 C VAL A 42 10.939 -3.340 18.279 1.00 0.00 C ATOM 625 O VAL A 42 11.680 -3.025 17.348 1.00 0.00 O ATOM 626 CB VAL A 42 11.158 -1.908 20.312 1.00 0.00 C ATOM 627 CG1 VAL A 42 9.681 -1.564 20.194 1.00 0.00 C ATOM 628 CG2 VAL A 42 11.615 -1.844 21.761 1.00 0.00 C ATOM 0 H VAL A 42 13.480 -2.832 19.758 1.00 0.00 H new ATOM 0 HA VAL A 42 10.903 -4.050 20.306 1.00 0.00 H new ATOM 0 HB VAL A 42 11.725 -1.170 19.744 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.503 -0.576 20.617 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.390 -1.567 19.144 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.091 -2.303 20.736 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.410 -0.852 22.164 1.00 0.00 H new ATOM 0 HG22 VAL A 42 11.077 -2.591 22.345 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.685 -2.043 21.814 1.00 0.00 H new ATOM 638 N TRP A 43 9.681 -3.726 18.104 1.00 0.00 N ATOM 639 CA TRP A 43 9.083 -3.804 16.776 1.00 0.00 C ATOM 640 C TRP A 43 7.715 -3.133 16.755 1.00 0.00 C ATOM 641 O TRP A 43 6.689 -3.783 16.958 1.00 0.00 O ATOM 642 CB TRP A 43 8.956 -5.264 16.337 1.00 0.00 C ATOM 643 CG TRP A 43 10.184 -5.790 15.659 1.00 0.00 C ATOM 644 CD1 TRP A 43 11.270 -6.362 16.258 1.00 0.00 C ATOM 645 CD2 TRP A 43 10.453 -5.790 14.253 1.00 0.00 C ATOM 646 NE1 TRP A 43 12.198 -6.718 15.309 1.00 0.00 N ATOM 647 CE2 TRP A 43 11.720 -6.378 14.071 1.00 0.00 C ATOM 648 CE3 TRP A 43 9.747 -5.352 13.129 1.00 0.00 C ATOM 649 CZ2 TRP A 43 12.293 -6.538 12.812 1.00 0.00 C ATOM 650 CZ3 TRP A 43 10.317 -5.511 11.880 1.00 0.00 C ATOM 651 CH2 TRP A 43 11.579 -6.100 11.729 1.00 0.00 C ATOM 0 H TRP A 43 9.055 -3.990 18.865 1.00 0.00 H new ATOM 0 HA TRP A 43 9.735 -3.278 16.079 1.00 0.00 H new ATOM 0 HB2 TRP A 43 8.739 -5.881 17.209 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.107 -5.360 15.660 1.00 0.00 H new ATOM 0 HD1 TRP A 43 11.383 -6.512 17.321 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.097 -7.163 15.496 1.00 0.00 H new ATOM 0 HE3 TRP A 43 8.773 -4.897 13.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 13.266 -6.991 12.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 9.780 -5.175 11.005 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.997 -6.211 10.739 1.00 0.00 H new ATOM 662 N THR A 44 7.705 -1.827 16.506 1.00 0.00 N ATOM 663 CA THR A 44 6.462 -1.067 16.459 1.00 0.00 C ATOM 664 C THR A 44 5.869 -1.069 15.054 1.00 0.00 C ATOM 665 O THR A 44 6.539 -1.437 14.088 1.00 0.00 O ATOM 666 CB THR A 44 6.677 0.390 16.910 1.00 0.00 C ATOM 667 OG1 THR A 44 7.962 0.853 16.479 1.00 0.00 O ATOM 668 CG2 THR A 44 6.572 0.509 18.423 1.00 0.00 C ATOM 0 H THR A 44 8.544 -1.274 16.334 1.00 0.00 H new ATOM 0 HA THR A 44 5.768 -1.554 17.145 1.00 0.00 H new ATOM 0 HB THR A 44 5.899 1.005 16.457 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.025 0.782 15.504 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.727 1.547 18.718 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.583 0.184 18.746 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.331 -0.119 18.891 1.00 0.00 H new ATOM 676 N TYR A 45 4.611 -0.657 14.948 1.00 0.00 N ATOM 677 CA TYR A 45 3.928 -0.613 13.661 1.00 0.00 C ATOM 678 C TYR A 45 2.724 0.322 13.715 1.00 0.00 C ATOM 679 O TYR A 45 1.988 0.349 14.702 1.00 0.00 O ATOM 680 CB TYR A 45 3.479 -2.017 13.250 1.00 0.00 C ATOM 681 CG TYR A 45 2.416 -2.022 12.175 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.760 -1.985 10.829 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.067 -2.066 12.505 1.00 0.00 C ATOM 684 CE1 TYR A 45 1.791 -1.989 9.844 1.00 0.00 C ATOM 685 CE2 TYR A 45 0.092 -2.072 11.527 1.00 0.00 C ATOM 686 CZ TYR A 45 0.459 -2.033 10.198 1.00 0.00 C ATOM 687 OH TYR A 45 -0.509 -2.039 9.220 1.00 0.00 O ATOM 0 H TYR A 45 4.044 -0.349 15.738 1.00 0.00 H new ATOM 0 HA TYR A 45 4.629 -0.231 12.919 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.345 -2.577 12.896 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.099 -2.539 14.128 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.802 -1.953 10.548 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.776 -2.096 13.545 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.075 -1.958 8.803 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.952 -2.107 11.801 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.395 -2.073 9.637 1.00 0.00 H new ATOM 697 N ASP A 46 2.529 1.087 12.646 1.00 0.00 N ATOM 698 CA ASP A 46 1.413 2.023 12.569 1.00 0.00 C ATOM 699 C ASP A 46 0.650 1.852 11.260 1.00 0.00 C ATOM 700 O ASP A 46 1.219 1.984 10.176 1.00 0.00 O ATOM 701 CB ASP A 46 1.918 3.462 12.696 1.00 0.00 C ATOM 702 CG ASP A 46 0.794 4.478 12.624 1.00 0.00 C ATOM 703 OD1 ASP A 46 -0.377 4.081 12.801 1.00 0.00 O ATOM 704 OD2 ASP A 46 1.086 5.669 12.390 1.00 0.00 O ATOM 0 H ASP A 46 3.129 1.077 11.821 1.00 0.00 H new ATOM 0 HA ASP A 46 0.734 1.810 13.394 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.447 3.576 13.642 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.637 3.663 11.902 1.00 0.00 H new ATOM 709 N ASP A 47 -0.641 1.558 11.368 1.00 0.00 N ATOM 710 CA ASP A 47 -1.483 1.369 10.193 1.00 0.00 C ATOM 711 C ASP A 47 -1.885 2.712 9.590 1.00 0.00 C ATOM 712 O ASP A 47 -2.619 2.766 8.604 1.00 0.00 O ATOM 713 CB ASP A 47 -2.733 0.566 10.558 1.00 0.00 C ATOM 714 CG ASP A 47 -3.599 0.262 9.351 1.00 0.00 C ATOM 715 OD1 ASP A 47 -3.036 0.033 8.261 1.00 0.00 O ATOM 716 OD2 ASP A 47 -4.839 0.253 9.498 1.00 0.00 O ATOM 0 H ASP A 47 -1.127 1.445 12.258 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.908 0.815 9.451 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.435 -0.369 11.032 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.318 1.123 11.290 1.00 0.00 H new ATOM 721 N ALA A 48 -1.398 3.793 10.190 1.00 0.00 N ATOM 722 CA ALA A 48 -1.705 5.135 9.712 1.00 0.00 C ATOM 723 C ALA A 48 -0.609 5.653 8.787 1.00 0.00 C ATOM 724 O ALA A 48 -0.852 5.925 7.611 1.00 0.00 O ATOM 725 CB ALA A 48 -1.897 6.083 10.887 1.00 0.00 C ATOM 0 H ALA A 48 -0.789 3.765 11.008 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.633 5.087 9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.126 7.082 10.515 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.720 5.730 11.509 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.983 6.117 11.480 1.00 0.00 H new ATOM 731 N THR A 49 0.599 5.787 9.325 1.00 0.00 N ATOM 732 CA THR A 49 1.732 6.273 8.548 1.00 0.00 C ATOM 733 C THR A 49 2.637 5.125 8.117 1.00 0.00 C ATOM 734 O THR A 49 3.853 5.284 8.012 1.00 0.00 O ATOM 735 CB THR A 49 2.564 7.295 9.347 1.00 0.00 C ATOM 736 OG1 THR A 49 1.792 7.809 10.438 1.00 0.00 O ATOM 737 CG2 THR A 49 3.016 8.440 8.454 1.00 0.00 C ATOM 0 H THR A 49 0.818 5.566 10.296 1.00 0.00 H new ATOM 0 HA THR A 49 1.322 6.760 7.663 1.00 0.00 H new ATOM 0 HB THR A 49 3.447 6.788 9.735 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.699 7.118 11.127 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.601 9.149 9.040 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.628 8.048 7.641 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.143 8.945 8.040 1.00 0.00 H new ATOM 745 N LYS A 50 2.036 3.966 7.867 1.00 0.00 N ATOM 746 CA LYS A 50 2.787 2.790 7.444 1.00 0.00 C ATOM 747 C LYS A 50 4.234 2.869 7.919 1.00 0.00 C ATOM 748 O LYS A 50 5.166 2.829 7.114 1.00 0.00 O ATOM 749 CB LYS A 50 2.745 2.653 5.920 1.00 0.00 C ATOM 750 CG LYS A 50 2.910 3.973 5.187 1.00 0.00 C ATOM 751 CD LYS A 50 1.573 4.517 4.711 1.00 0.00 C ATOM 752 CE LYS A 50 1.345 5.940 5.198 1.00 0.00 C ATOM 753 NZ LYS A 50 1.400 6.924 4.082 1.00 0.00 N ATOM 0 H LYS A 50 1.030 3.816 7.950 1.00 0.00 H new ATOM 0 HA LYS A 50 2.323 1.912 7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.533 1.970 5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.796 2.202 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.386 4.699 5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.573 3.836 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.537 4.494 3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.769 3.875 5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.375 6.004 5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.099 6.194 5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.240 7.881 4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.334 6.881 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.664 6.697 3.383 1.00 0.00 H new ATOM 767 N THR A 51 4.417 2.980 9.231 1.00 0.00 N ATOM 768 CA THR A 51 5.750 3.064 9.813 1.00 0.00 C ATOM 769 C THR A 51 5.972 1.960 10.840 1.00 0.00 C ATOM 770 O THR A 51 5.150 1.754 11.733 1.00 0.00 O ATOM 771 CB THR A 51 5.985 4.430 10.484 1.00 0.00 C ATOM 772 OG1 THR A 51 5.955 5.471 9.502 1.00 0.00 O ATOM 773 CG2 THR A 51 7.321 4.452 11.213 1.00 0.00 C ATOM 0 H THR A 51 3.657 3.014 9.911 1.00 0.00 H new ATOM 0 HA THR A 51 6.460 2.943 8.995 1.00 0.00 H new ATOM 0 HB THR A 51 5.189 4.594 11.210 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.106 5.435 9.013 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.465 5.427 11.679 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.330 3.678 11.980 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.126 4.267 10.502 1.00 0.00 H new ATOM 781 N PHE A 52 7.090 1.253 10.710 1.00 0.00 N ATOM 782 CA PHE A 52 7.420 0.169 11.628 1.00 0.00 C ATOM 783 C PHE A 52 8.373 0.650 12.718 1.00 0.00 C ATOM 784 O PHE A 52 8.025 0.674 13.899 1.00 0.00 O ATOM 785 CB PHE A 52 8.048 -1.000 10.866 1.00 0.00 C ATOM 786 CG PHE A 52 7.039 -1.961 10.304 1.00 0.00 C ATOM 787 CD1 PHE A 52 6.499 -1.760 9.044 1.00 0.00 C ATOM 788 CD2 PHE A 52 6.632 -3.064 11.036 1.00 0.00 C ATOM 789 CE1 PHE A 52 5.569 -2.642 8.525 1.00 0.00 C ATOM 790 CE2 PHE A 52 5.703 -3.950 10.522 1.00 0.00 C ATOM 791 CZ PHE A 52 5.172 -3.739 9.265 1.00 0.00 C ATOM 0 H PHE A 52 7.782 1.411 9.978 1.00 0.00 H new ATOM 0 HA PHE A 52 6.497 -0.167 12.100 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.657 -0.607 10.052 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.719 -1.540 11.534 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.808 -0.905 8.461 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.045 -3.234 12.019 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.154 -2.474 7.542 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.393 -4.806 11.103 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.447 -4.430 8.861 1.00 0.00 H new ATOM 801 N THR A 53 9.580 1.034 12.313 1.00 0.00 N ATOM 802 CA THR A 53 10.585 1.514 13.253 1.00 0.00 C ATOM 803 C THR A 53 11.045 0.397 14.184 1.00 0.00 C ATOM 804 O THR A 53 10.230 -0.258 14.833 1.00 0.00 O ATOM 805 CB THR A 53 10.049 2.684 14.100 1.00 0.00 C ATOM 806 OG1 THR A 53 9.363 3.621 13.262 1.00 0.00 O ATOM 807 CG2 THR A 53 11.183 3.386 14.832 1.00 0.00 C ATOM 0 H THR A 53 9.885 1.022 11.340 1.00 0.00 H new ATOM 0 HA THR A 53 11.431 1.862 12.660 1.00 0.00 H new ATOM 0 HB THR A 53 9.355 2.282 14.838 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.024 4.361 13.808 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.780 4.208 15.423 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.685 2.677 15.491 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.897 3.776 14.107 1.00 0.00 H new ATOM 815 N VAL A 54 12.356 0.185 14.244 1.00 0.00 N ATOM 816 CA VAL A 54 12.924 -0.852 15.096 1.00 0.00 C ATOM 817 C VAL A 54 14.027 -0.288 15.986 1.00 0.00 C ATOM 818 O VAL A 54 15.073 0.143 15.500 1.00 0.00 O ATOM 819 CB VAL A 54 13.496 -2.013 14.262 1.00 0.00 C ATOM 820 CG1 VAL A 54 14.315 -2.948 15.139 1.00 0.00 C ATOM 821 CG2 VAL A 54 12.376 -2.769 13.563 1.00 0.00 C ATOM 0 H VAL A 54 13.044 0.718 13.712 1.00 0.00 H new ATOM 0 HA VAL A 54 12.114 -1.228 15.720 1.00 0.00 H new ATOM 0 HB VAL A 54 14.155 -1.599 13.499 1.00 0.00 H new ATOM 0 HG11 VAL A 54 14.711 -3.762 14.532 1.00 0.00 H new ATOM 0 HG12 VAL A 54 15.140 -2.396 15.588 1.00 0.00 H new ATOM 0 HG13 VAL A 54 13.681 -3.357 15.926 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.798 -3.586 12.978 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.690 -3.173 14.307 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.836 -2.091 12.902 1.00 0.00 H new ATOM 831 N THR A 55 13.786 -0.295 17.293 1.00 0.00 N ATOM 832 CA THR A 55 14.758 0.216 18.252 1.00 0.00 C ATOM 833 C THR A 55 15.523 -0.921 18.918 1.00 0.00 C ATOM 834 O THR A 55 14.936 -1.928 19.313 1.00 0.00 O ATOM 835 CB THR A 55 14.079 1.070 19.340 1.00 0.00 C ATOM 836 OG1 THR A 55 13.102 1.933 18.747 1.00 0.00 O ATOM 837 CG2 THR A 55 15.105 1.900 20.095 1.00 0.00 C ATOM 0 H THR A 55 12.926 -0.649 17.712 1.00 0.00 H new ATOM 0 HA THR A 55 15.455 0.841 17.693 1.00 0.00 H new ATOM 0 HB THR A 55 13.589 0.398 20.045 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.674 2.471 19.445 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.602 2.494 20.858 1.00 0.00 H new ATOM 0 HG22 THR A 55 15.830 1.239 20.570 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.620 2.563 19.399 1.00 0.00 H new ATOM 845 N GLU A 56 16.836 -0.753 19.041 1.00 0.00 N ATOM 846 CA GLU A 56 17.681 -1.768 19.660 1.00 0.00 C ATOM 847 C GLU A 56 17.677 -1.626 21.179 1.00 0.00 C ATOM 848 O GLU A 56 17.157 -2.505 21.866 1.00 0.00 O ATOM 849 CB GLU A 56 19.113 -1.663 19.131 1.00 0.00 C ATOM 850 CG GLU A 56 19.448 -2.701 18.073 1.00 0.00 C ATOM 851 CD GLU A 56 20.372 -3.786 18.591 1.00 0.00 C ATOM 852 OE1 GLU A 56 21.310 -3.456 19.347 1.00 0.00 O ATOM 853 OE2 GLU A 56 20.157 -4.965 18.241 1.00 0.00 O ATOM 0 H GLU A 56 17.337 0.075 18.721 1.00 0.00 H new ATOM 0 HA GLU A 56 17.277 -2.747 19.402 1.00 0.00 H new ATOM 0 HB2 GLU A 56 19.265 -0.668 18.713 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.808 -1.768 19.964 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.526 -3.156 17.712 1.00 0.00 H new ATOM 0 HG3 GLU A 56 19.915 -2.208 17.221 1.00 0.00 H new TER 860 GLU A 56