USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 494 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 1 ALA N :NH3+ -147:sc= -0.551 (180deg=-1.54) USER MOD Set 1.2: B 14 GLN : amide:sc= -1.59 K(o=-2.1,f=-5.3!) USER MOD Single : A 2 ASN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= -2.45! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -7.77! C(o=-7.8!,f=-8.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -118:sc= 0.293 USER MOD Single : A 33 MET CE :methyl -161:sc= -7.38! (180deg=-7.62!) USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= 0.988 (180deg=0.223) USER MOD Single : A 36 GLN : amide:sc= -2.74 K(o=-2.7,f=-1.3) USER MOD Single : B 1 ALA N :NH3+ 135:sc= 0.313 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -0.0115 X(o=-0.012,f=0) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ -119:sc= -1.99! (180deg=-5.53!) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl 167:sc= -5.73! (180deg=-6.61!) USER MOD Single : B 35 LYS NZ :NH3+ 157:sc= 0.965 (180deg=-0.0361!) USER MOD Single : B 36 GLN : amide:sc= -1.79! K(o=-1.8!,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.876 1.203 -3.949 1.00 44.22 N ATOM 2 CA ALA A 1 -0.445 0.588 -2.706 1.00 33.30 C ATOM 3 C ALA A 1 0.558 1.507 -2.007 1.00 35.13 C ATOM 4 O ALA A 1 0.199 2.234 -1.081 1.00 24.11 O ATOM 5 CB ALA A 1 0.138 -0.797 -2.996 1.00 75.11 C ATOM 0 H1 ALA A 1 -1.865 0.945 -4.139 1.00 44.22 H new ATOM 0 H2 ALA A 1 -0.797 2.237 -3.871 1.00 44.22 H new ATOM 0 H3 ALA A 1 -0.275 0.868 -4.729 1.00 44.22 H new ATOM 0 HA ALA A 1 -1.291 0.451 -2.033 1.00 33.30 H new ATOM 0 HB1 ALA A 1 0.461 -1.258 -2.063 1.00 75.11 H new ATOM 0 HB2 ALA A 1 -0.623 -1.421 -3.465 1.00 75.11 H new ATOM 0 HB3 ALA A 1 0.991 -0.699 -3.667 1.00 75.11 H new ATOM 11 N ASN A 2 1.796 1.446 -2.476 1.00 31.25 N ATOM 12 CA ASN A 2 2.853 2.264 -1.908 1.00 3.34 C ATOM 13 C ASN A 2 3.300 3.302 -2.940 1.00 22.24 C ATOM 14 O ASN A 2 3.632 2.953 -4.071 1.00 65.12 O ATOM 15 CB ASN A 2 4.069 1.413 -1.536 1.00 13.42 C ATOM 16 CG ASN A 2 4.050 1.051 -0.049 1.00 22.02 C ATOM 17 OD1 ASN A 2 3.100 0.486 0.468 1.00 54.04 O ATOM 18 ND2 ASN A 2 5.150 1.406 0.608 1.00 43.23 N ATOM 0 H ASN A 2 2.090 0.842 -3.244 1.00 31.25 H new ATOM 0 HA ASN A 2 2.462 2.745 -1.012 1.00 3.34 H new ATOM 0 HB2 ASN A 2 4.078 0.503 -2.136 1.00 13.42 H new ATOM 0 HB3 ASN A 2 4.984 1.957 -1.770 1.00 13.42 H new ATOM 0 HD21 ASN A 2 5.235 1.208 1.605 1.00 43.23 H new ATOM 0 HD22 ASN A 2 5.909 1.876 0.115 1.00 43.23 H new ATOM 25 N GLU A 3 3.293 4.556 -2.512 1.00 51.35 N ATOM 26 CA GLU A 3 3.694 5.646 -3.386 1.00 13.03 C ATOM 27 C GLU A 3 5.161 5.491 -3.790 1.00 22.04 C ATOM 28 O GLU A 3 6.059 5.737 -2.986 1.00 2.12 O ATOM 29 CB GLU A 3 3.448 7.001 -2.719 1.00 21.21 C ATOM 30 CG GLU A 3 3.893 8.148 -3.628 1.00 3.40 C ATOM 31 CD GLU A 3 3.395 9.493 -3.097 1.00 14.33 C ATOM 32 OE1 GLU A 3 2.329 9.555 -2.465 1.00 23.20 O ATOM 33 OE2 GLU A 3 4.157 10.500 -3.360 1.00 4.41 O ATOM 0 H GLU A 3 3.016 4.841 -1.573 1.00 51.35 H new ATOM 0 HA GLU A 3 3.084 5.606 -4.288 1.00 13.03 H new ATOM 0 HB2 GLU A 3 2.389 7.108 -2.484 1.00 21.21 H new ATOM 0 HB3 GLU A 3 3.990 7.049 -1.775 1.00 21.21 H new ATOM 0 HG2 GLU A 3 4.981 8.161 -3.697 1.00 3.40 H new ATOM 0 HG3 GLU A 3 3.511 7.987 -4.636 1.00 3.40 H new ATOM 40 N GLY A 4 5.360 5.083 -5.034 1.00 32.41 N ATOM 41 CA GLY A 4 6.702 4.892 -5.554 1.00 23.24 C ATOM 42 C GLY A 4 7.072 3.408 -5.586 1.00 43.01 C ATOM 43 O GLY A 4 8.247 3.059 -5.693 1.00 25.04 O ATOM 0 H GLY A 4 4.613 4.879 -5.698 1.00 32.41 H new ATOM 0 HA2 GLY A 4 6.769 5.309 -6.559 1.00 23.24 H new ATOM 0 HA3 GLY A 4 7.416 5.435 -4.935 1.00 23.24 H new ATOM 47 N ASP A 5 6.047 2.573 -5.493 1.00 2.13 N ATOM 48 CA ASP A 5 6.250 1.135 -5.510 1.00 35.32 C ATOM 49 C ASP A 5 5.701 0.562 -6.819 1.00 41.35 C ATOM 50 O ASP A 5 4.734 1.084 -7.371 1.00 71.33 O ATOM 51 CB ASP A 5 5.510 0.460 -4.353 1.00 55.41 C ATOM 52 CG ASP A 5 6.287 0.401 -3.036 1.00 72.22 C ATOM 53 OD1 ASP A 5 7.052 1.414 -2.807 1.00 52.15 O ATOM 54 OD2 ASP A 5 6.169 -0.566 -2.268 1.00 74.43 O ATOM 0 H ASP A 5 5.074 2.865 -5.406 1.00 2.13 H new ATOM 0 HA ASP A 5 7.319 0.945 -5.415 1.00 35.32 H new ATOM 0 HB2 ASP A 5 4.573 0.991 -4.182 1.00 55.41 H new ATOM 0 HB3 ASP A 5 5.251 -0.556 -4.651 1.00 55.41 H new ATOM 59 N VAL A 6 6.343 -0.503 -7.277 1.00 63.11 N ATOM 60 CA VAL A 6 5.932 -1.151 -8.511 1.00 33.34 C ATOM 61 C VAL A 6 5.293 -2.502 -8.183 1.00 13.14 C ATOM 62 O VAL A 6 5.716 -3.183 -7.250 1.00 10.13 O ATOM 63 CB VAL A 6 7.124 -1.270 -9.462 1.00 44.44 C ATOM 64 CG1 VAL A 6 6.795 -2.187 -10.641 1.00 24.43 C ATOM 65 CG2 VAL A 6 7.575 0.109 -9.950 1.00 42.41 C ATOM 0 H VAL A 6 7.145 -0.933 -6.816 1.00 63.11 H new ATOM 0 HA VAL A 6 5.181 -0.551 -9.026 1.00 33.34 H new ATOM 0 HB VAL A 6 7.950 -1.718 -8.910 1.00 44.44 H new ATOM 0 HG11 VAL A 6 7.659 -2.254 -11.302 1.00 24.43 H new ATOM 0 HG12 VAL A 6 6.544 -3.181 -10.270 1.00 24.43 H new ATOM 0 HG13 VAL A 6 5.947 -1.780 -11.193 1.00 24.43 H new ATOM 0 HG21 VAL A 6 8.424 -0.003 -10.625 1.00 42.41 H new ATOM 0 HG22 VAL A 6 6.754 0.595 -10.477 1.00 42.41 H new ATOM 0 HG23 VAL A 6 7.869 0.719 -9.096 1.00 42.41 H new ATOM 75 N TYR A 7 4.284 -2.850 -8.968 1.00 13.42 N ATOM 76 CA TYR A 7 3.582 -4.106 -8.772 1.00 72.52 C ATOM 77 C TYR A 7 3.511 -4.903 -10.077 1.00 54.21 C ATOM 78 O TYR A 7 3.362 -4.326 -11.154 1.00 32.21 O ATOM 79 CB TYR A 7 2.163 -3.735 -8.339 1.00 0.45 C ATOM 80 CG TYR A 7 2.006 -3.537 -6.829 1.00 62.34 C ATOM 81 CD1 TYR A 7 2.674 -2.510 -6.194 1.00 54.55 C ATOM 82 CD2 TYR A 7 1.197 -4.387 -6.103 1.00 53.42 C ATOM 83 CE1 TYR A 7 2.525 -2.324 -4.774 1.00 65.43 C ATOM 84 CE2 TYR A 7 1.049 -4.201 -4.682 1.00 53.12 C ATOM 85 CZ TYR A 7 1.721 -3.179 -4.088 1.00 52.25 C ATOM 86 OH TYR A 7 1.581 -3.004 -2.746 1.00 40.12 O ATOM 0 H TYR A 7 3.936 -2.283 -9.741 1.00 13.42 H new ATOM 0 HA TYR A 7 4.096 -4.721 -8.034 1.00 72.52 H new ATOM 0 HB2 TYR A 7 1.866 -2.818 -8.848 1.00 0.45 H new ATOM 0 HB3 TYR A 7 1.478 -4.517 -8.666 1.00 0.45 H new ATOM 0 HD1 TYR A 7 3.308 -1.846 -6.762 1.00 54.55 H new ATOM 0 HD2 TYR A 7 0.675 -5.191 -6.600 1.00 53.42 H new ATOM 0 HE1 TYR A 7 3.041 -1.523 -4.265 1.00 65.43 H new ATOM 0 HE2 TYR A 7 0.419 -4.858 -4.102 1.00 53.12 H new ATOM 0 HH TYR A 7 0.976 -3.687 -2.388 1.00 40.12 H new ATOM 96 N LYS A 8 3.620 -6.215 -9.939 1.00 61.50 N ATOM 97 CA LYS A 8 3.569 -7.097 -11.093 1.00 10.13 C ATOM 98 C LYS A 8 2.457 -8.129 -10.893 1.00 41.41 C ATOM 99 O LYS A 8 2.373 -8.761 -9.842 1.00 20.23 O ATOM 100 CB LYS A 8 4.943 -7.717 -11.353 1.00 61.44 C ATOM 101 CG LYS A 8 5.017 -8.317 -12.759 1.00 52.22 C ATOM 102 CD LYS A 8 6.470 -8.507 -13.199 1.00 51.31 C ATOM 103 CE LYS A 8 6.736 -9.959 -13.601 1.00 70.11 C ATOM 104 NZ LYS A 8 8.191 -10.228 -13.636 1.00 13.11 N ATOM 0 H LYS A 8 3.744 -6.690 -9.045 1.00 61.50 H new ATOM 0 HA LYS A 8 3.323 -6.533 -11.993 1.00 10.13 H new ATOM 0 HB2 LYS A 8 5.716 -6.958 -11.237 1.00 61.44 H new ATOM 0 HB3 LYS A 8 5.143 -8.491 -10.612 1.00 61.44 H new ATOM 0 HG2 LYS A 8 4.500 -9.276 -12.776 1.00 52.22 H new ATOM 0 HG3 LYS A 8 4.502 -7.664 -13.464 1.00 52.22 H new ATOM 0 HD2 LYS A 8 6.688 -7.848 -14.039 1.00 51.31 H new ATOM 0 HD3 LYS A 8 7.140 -8.222 -12.387 1.00 51.31 H new ATOM 0 HE2 LYS A 8 6.252 -10.633 -12.894 1.00 70.11 H new ATOM 0 HE3 LYS A 8 6.300 -10.157 -14.580 1.00 70.11 H new ATOM 0 HZ1 LYS A 8 8.355 -11.218 -13.911 1.00 13.11 H new ATOM 0 HZ2 LYS A 8 8.644 -9.597 -14.328 1.00 13.11 H new ATOM 0 HZ3 LYS A 8 8.598 -10.058 -12.694 1.00 13.11 H new ATOM 117 N CYS A 9 1.631 -8.266 -11.919 1.00 51.14 N ATOM 118 CA CYS A 9 0.527 -9.210 -11.870 1.00 41.50 C ATOM 119 C CYS A 9 1.079 -10.573 -11.448 1.00 13.00 C ATOM 120 O CYS A 9 0.396 -11.340 -10.770 1.00 1.01 O ATOM 121 CB CYS A 9 -0.214 -9.283 -13.207 1.00 33.41 C ATOM 122 SG CYS A 9 -1.703 -10.352 -13.201 1.00 44.24 S ATOM 0 H CYS A 9 1.704 -7.739 -12.789 1.00 51.14 H new ATOM 0 HA CYS A 9 -0.209 -8.875 -11.139 1.00 41.50 H new ATOM 0 HB2 CYS A 9 -0.508 -8.275 -13.499 1.00 33.41 H new ATOM 0 HB3 CYS A 9 0.475 -9.647 -13.969 1.00 33.41 H new ATOM 127 N GLU A 10 2.309 -10.833 -11.866 1.00 1.34 N ATOM 128 CA GLU A 10 2.960 -12.090 -11.538 1.00 71.45 C ATOM 129 C GLU A 10 2.265 -13.249 -12.256 1.00 24.45 C ATOM 130 O GLU A 10 2.596 -14.412 -12.028 1.00 64.14 O ATOM 131 CB GLU A 10 2.985 -12.317 -10.026 1.00 24.32 C ATOM 132 CG GLU A 10 4.215 -11.661 -9.393 1.00 43.33 C ATOM 133 CD GLU A 10 5.330 -12.685 -9.173 1.00 25.34 C ATOM 134 OE1 GLU A 10 5.047 -13.856 -8.881 1.00 63.20 O ATOM 135 OE2 GLU A 10 6.528 -12.227 -9.314 1.00 73.24 O ATOM 0 H GLU A 10 2.872 -10.195 -12.429 1.00 1.34 H new ATOM 0 HA GLU A 10 3.994 -12.042 -11.881 1.00 71.45 H new ATOM 0 HB2 GLU A 10 2.079 -11.908 -9.578 1.00 24.32 H new ATOM 0 HB3 GLU A 10 2.990 -13.386 -9.815 1.00 24.32 H new ATOM 0 HG2 GLU A 10 4.575 -10.858 -10.037 1.00 43.33 H new ATOM 0 HG3 GLU A 10 3.940 -11.207 -8.441 1.00 43.33 H new ATOM 142 N LEU A 11 1.315 -12.893 -13.106 1.00 61.35 N ATOM 143 CA LEU A 11 0.571 -13.890 -13.858 1.00 52.12 C ATOM 144 C LEU A 11 0.689 -13.587 -15.353 1.00 33.40 C ATOM 145 O LEU A 11 1.436 -14.252 -16.068 1.00 24.43 O ATOM 146 CB LEU A 11 -0.873 -13.969 -13.359 1.00 22.35 C ATOM 147 CG LEU A 11 -1.897 -14.520 -14.353 1.00 34.50 C ATOM 148 CD1 LEU A 11 -1.726 -16.030 -14.537 1.00 43.35 C ATOM 149 CD2 LEU A 11 -3.322 -14.152 -13.933 1.00 24.43 C ATOM 0 H LEU A 11 1.042 -11.928 -13.292 1.00 61.35 H new ATOM 0 HA LEU A 11 0.994 -14.882 -13.699 1.00 52.12 H new ATOM 0 HB2 LEU A 11 -0.894 -14.591 -12.464 1.00 22.35 H new ATOM 0 HB3 LEU A 11 -1.188 -12.969 -13.060 1.00 22.35 H new ATOM 0 HG LEU A 11 -1.716 -14.055 -15.322 1.00 34.50 H new ATOM 0 HD11 LEU A 11 -2.466 -16.396 -15.248 1.00 43.35 H new ATOM 0 HD12 LEU A 11 -0.725 -16.239 -14.915 1.00 43.35 H new ATOM 0 HD13 LEU A 11 -1.865 -16.531 -13.579 1.00 43.35 H new ATOM 0 HD21 LEU A 11 -4.030 -14.556 -14.656 1.00 24.43 H new ATOM 0 HD22 LEU A 11 -3.531 -14.571 -12.948 1.00 24.43 H new ATOM 0 HD23 LEU A 11 -3.421 -13.067 -13.895 1.00 24.43 H new ATOM 161 N CYS A 12 -0.061 -12.583 -15.782 1.00 13.33 N ATOM 162 CA CYS A 12 -0.051 -12.184 -17.179 1.00 52.42 C ATOM 163 C CYS A 12 1.321 -11.585 -17.497 1.00 63.34 C ATOM 164 O CYS A 12 1.779 -11.646 -18.637 1.00 21.10 O ATOM 165 CB CYS A 12 -1.186 -11.209 -17.498 1.00 20.33 C ATOM 166 SG CYS A 12 -1.071 -9.592 -16.649 1.00 40.42 S ATOM 0 H CYS A 12 -0.680 -12.033 -15.186 1.00 13.33 H new ATOM 0 HA CYS A 12 -0.222 -13.056 -17.810 1.00 52.42 H new ATOM 0 HB2 CYS A 12 -1.207 -11.038 -18.574 1.00 20.33 H new ATOM 0 HB3 CYS A 12 -2.134 -11.677 -17.231 1.00 20.33 H new ATOM 171 N GLY A 13 1.938 -11.021 -16.470 1.00 51.31 N ATOM 172 CA GLY A 13 3.247 -10.412 -16.626 1.00 45.21 C ATOM 173 C GLY A 13 3.128 -8.902 -16.843 1.00 31.04 C ATOM 174 O GLY A 13 3.898 -8.317 -17.604 1.00 25.32 O ATOM 0 H GLY A 13 1.555 -10.973 -15.526 1.00 51.31 H new ATOM 0 HA2 GLY A 13 3.851 -10.609 -15.741 1.00 45.21 H new ATOM 0 HA3 GLY A 13 3.764 -10.865 -17.472 1.00 45.21 H new ATOM 178 N GLN A 14 2.157 -8.312 -16.162 1.00 31.43 N ATOM 179 CA GLN A 14 1.926 -6.883 -16.271 1.00 51.32 C ATOM 180 C GLN A 14 2.658 -6.141 -15.151 1.00 10.41 C ATOM 181 O GLN A 14 2.596 -6.543 -13.990 1.00 34.21 O ATOM 182 CB GLN A 14 0.430 -6.565 -16.253 1.00 1.23 C ATOM 183 CG GLN A 14 0.190 -5.054 -16.230 1.00 61.41 C ATOM 184 CD GLN A 14 -1.109 -4.695 -16.955 1.00 0.54 C ATOM 185 OE1 GLN A 14 -1.112 -4.096 -18.018 1.00 30.42 O ATOM 186 NE2 GLN A 14 -2.209 -5.092 -16.321 1.00 12.51 N ATOM 0 H GLN A 14 1.520 -8.799 -15.532 1.00 31.43 H new ATOM 0 HA GLN A 14 2.324 -6.543 -17.227 1.00 51.32 H new ATOM 0 HB2 GLN A 14 -0.048 -6.999 -17.131 1.00 1.23 H new ATOM 0 HB3 GLN A 14 -0.032 -7.023 -15.379 1.00 1.23 H new ATOM 0 HG2 GLN A 14 0.144 -4.705 -15.198 1.00 61.41 H new ATOM 0 HG3 GLN A 14 1.028 -4.542 -16.702 1.00 61.41 H new ATOM 0 HE21 GLN A 14 -2.135 -5.589 -15.434 1.00 12.51 H new ATOM 0 HE22 GLN A 14 -3.127 -4.899 -16.722 1.00 12.51 H new ATOM 195 N VAL A 15 3.334 -5.068 -15.538 1.00 64.43 N ATOM 196 CA VAL A 15 4.078 -4.267 -14.581 1.00 74.03 C ATOM 197 C VAL A 15 3.502 -2.849 -14.554 1.00 74.44 C ATOM 198 O VAL A 15 3.299 -2.237 -15.603 1.00 21.54 O ATOM 199 CB VAL A 15 5.570 -4.299 -14.918 1.00 20.33 C ATOM 200 CG1 VAL A 15 6.386 -3.542 -13.869 1.00 13.14 C ATOM 201 CG2 VAL A 15 6.067 -5.738 -15.065 1.00 22.01 C ATOM 0 H VAL A 15 3.382 -4.735 -16.501 1.00 64.43 H new ATOM 0 HA VAL A 15 3.977 -4.680 -13.577 1.00 74.03 H new ATOM 0 HB VAL A 15 5.708 -3.797 -15.875 1.00 20.33 H new ATOM 0 HG11 VAL A 15 7.443 -3.580 -14.133 1.00 13.14 H new ATOM 0 HG12 VAL A 15 6.058 -2.503 -13.833 1.00 13.14 H new ATOM 0 HG13 VAL A 15 6.239 -4.002 -12.892 1.00 13.14 H new ATOM 0 HG21 VAL A 15 7.130 -5.733 -15.305 1.00 22.01 H new ATOM 0 HG22 VAL A 15 5.908 -6.275 -14.130 1.00 22.01 H new ATOM 0 HG23 VAL A 15 5.517 -6.233 -15.866 1.00 22.01 H new ATOM 211 N VAL A 16 3.254 -2.368 -13.345 1.00 74.54 N ATOM 212 CA VAL A 16 2.705 -1.035 -13.168 1.00 54.44 C ATOM 213 C VAL A 16 3.365 -0.373 -11.957 1.00 73.12 C ATOM 214 O VAL A 16 3.998 -1.047 -11.146 1.00 44.21 O ATOM 215 CB VAL A 16 1.181 -1.108 -13.053 1.00 50.41 C ATOM 216 CG1 VAL A 16 0.546 -1.470 -14.397 1.00 75.43 C ATOM 217 CG2 VAL A 16 0.759 -2.094 -11.963 1.00 22.35 C ATOM 0 H VAL A 16 3.423 -2.878 -12.478 1.00 74.54 H new ATOM 0 HA VAL A 16 2.923 -0.414 -14.037 1.00 54.44 H new ATOM 0 HB VAL A 16 0.820 -0.120 -12.768 1.00 50.41 H new ATOM 0 HG11 VAL A 16 -0.537 -1.515 -14.287 1.00 75.43 H new ATOM 0 HG12 VAL A 16 0.804 -0.713 -15.137 1.00 75.43 H new ATOM 0 HG13 VAL A 16 0.918 -2.440 -14.726 1.00 75.43 H new ATOM 0 HG21 VAL A 16 -0.329 -2.126 -11.903 1.00 22.35 H new ATOM 0 HG22 VAL A 16 1.139 -3.087 -12.204 1.00 22.35 H new ATOM 0 HG23 VAL A 16 1.166 -1.773 -11.004 1.00 22.35 H new ATOM 227 N LYS A 17 3.194 0.938 -11.873 1.00 1.01 N ATOM 228 CA LYS A 17 3.765 1.698 -10.774 1.00 21.13 C ATOM 229 C LYS A 17 2.637 2.342 -9.965 1.00 3.31 C ATOM 230 O LYS A 17 1.516 2.471 -10.450 1.00 74.24 O ATOM 231 CB LYS A 17 4.797 2.700 -11.296 1.00 2.23 C ATOM 232 CG LYS A 17 5.901 2.938 -10.262 1.00 51.14 C ATOM 233 CD LYS A 17 6.332 4.406 -10.249 1.00 13.15 C ATOM 234 CE LYS A 17 6.872 4.805 -8.874 1.00 52.10 C ATOM 235 NZ LYS A 17 8.247 5.340 -8.993 1.00 61.03 N ATOM 0 H LYS A 17 2.668 1.493 -12.548 1.00 1.01 H new ATOM 0 HA LYS A 17 4.308 1.039 -10.096 1.00 21.13 H new ATOM 0 HB2 LYS A 17 5.235 2.328 -12.222 1.00 2.23 H new ATOM 0 HB3 LYS A 17 4.306 3.644 -11.533 1.00 2.23 H new ATOM 0 HG2 LYS A 17 5.546 2.651 -9.272 1.00 51.14 H new ATOM 0 HG3 LYS A 17 6.759 2.305 -10.489 1.00 51.14 H new ATOM 0 HD2 LYS A 17 7.098 4.571 -11.007 1.00 13.15 H new ATOM 0 HD3 LYS A 17 5.485 5.040 -10.509 1.00 13.15 H new ATOM 0 HE2 LYS A 17 6.221 5.555 -8.425 1.00 52.10 H new ATOM 0 HE3 LYS A 17 6.868 3.940 -8.210 1.00 52.10 H new ATOM 0 HZ1 LYS A 17 8.599 5.606 -8.051 1.00 61.03 H new ATOM 0 HZ2 LYS A 17 8.868 4.613 -9.402 1.00 61.03 H new ATOM 0 HZ3 LYS A 17 8.242 6.177 -9.610 1.00 61.03 H new ATOM 248 N VAL A 18 2.976 2.729 -8.743 1.00 63.03 N ATOM 249 CA VAL A 18 2.006 3.356 -7.862 1.00 4.32 C ATOM 250 C VAL A 18 2.360 4.835 -7.692 1.00 11.41 C ATOM 251 O VAL A 18 3.054 5.207 -6.748 1.00 50.12 O ATOM 252 CB VAL A 18 1.942 2.601 -6.532 1.00 43.35 C ATOM 253 CG1 VAL A 18 1.037 3.325 -5.535 1.00 14.24 C ATOM 254 CG2 VAL A 18 1.481 1.158 -6.744 1.00 25.20 C ATOM 0 H VAL A 18 3.908 2.620 -8.343 1.00 63.03 H new ATOM 0 HA VAL A 18 1.008 3.308 -8.297 1.00 4.32 H new ATOM 0 HB VAL A 18 2.948 2.573 -6.112 1.00 43.35 H new ATOM 0 HG11 VAL A 18 1.009 2.768 -4.598 1.00 14.24 H new ATOM 0 HG12 VAL A 18 1.427 4.326 -5.350 1.00 14.24 H new ATOM 0 HG13 VAL A 18 0.029 3.398 -5.944 1.00 14.24 H new ATOM 0 HG21 VAL A 18 1.444 0.643 -5.784 1.00 25.20 H new ATOM 0 HG22 VAL A 18 0.489 1.156 -7.196 1.00 25.20 H new ATOM 0 HG23 VAL A 18 2.181 0.646 -7.404 1.00 25.20 H new ATOM 264 N LEU A 19 1.865 5.640 -8.621 1.00 73.15 N ATOM 265 CA LEU A 19 2.119 7.069 -8.586 1.00 51.54 C ATOM 266 C LEU A 19 1.390 7.685 -7.391 1.00 32.55 C ATOM 267 O LEU A 19 1.944 8.528 -6.688 1.00 41.54 O ATOM 268 CB LEU A 19 1.753 7.712 -9.927 1.00 12.20 C ATOM 269 CG LEU A 19 2.673 8.837 -10.405 1.00 24.30 C ATOM 270 CD1 LEU A 19 2.660 10.010 -9.423 1.00 44.10 C ATOM 271 CD2 LEU A 19 4.089 8.316 -10.659 1.00 43.05 C ATOM 0 H LEU A 19 1.289 5.329 -9.403 1.00 73.15 H new ATOM 0 HA LEU A 19 3.182 7.262 -8.445 1.00 51.54 H new ATOM 0 HB2 LEU A 19 1.739 6.933 -10.689 1.00 12.20 H new ATOM 0 HB3 LEU A 19 0.739 8.105 -9.854 1.00 12.20 H new ATOM 0 HG LEU A 19 2.292 9.210 -11.356 1.00 24.30 H new ATOM 0 HD11 LEU A 19 3.322 10.796 -9.786 1.00 44.10 H new ATOM 0 HD12 LEU A 19 1.646 10.401 -9.336 1.00 44.10 H new ATOM 0 HD13 LEU A 19 3.003 9.670 -8.446 1.00 44.10 H new ATOM 0 HD21 LEU A 19 4.723 9.135 -10.998 1.00 43.05 H new ATOM 0 HD22 LEU A 19 4.495 7.901 -9.737 1.00 43.05 H new ATOM 0 HD23 LEU A 19 4.059 7.540 -11.424 1.00 43.05 H new ATOM 283 N GLU A 20 0.158 7.237 -7.195 1.00 64.12 N ATOM 284 CA GLU A 20 -0.653 7.732 -6.096 1.00 65.31 C ATOM 285 C GLU A 20 -1.429 6.583 -5.450 1.00 21.12 C ATOM 286 O GLU A 20 -2.185 5.884 -6.122 1.00 33.40 O ATOM 287 CB GLU A 20 -1.600 8.837 -6.569 1.00 32.13 C ATOM 288 CG GLU A 20 -0.819 10.064 -7.040 1.00 53.12 C ATOM 289 CD GLU A 20 -1.542 10.765 -8.193 1.00 12.31 C ATOM 290 OE1 GLU A 20 -2.700 11.180 -8.037 1.00 2.43 O ATOM 291 OE2 GLU A 20 -0.858 10.872 -9.280 1.00 2.31 O ATOM 0 H GLU A 20 -0.298 6.536 -7.779 1.00 64.12 H new ATOM 0 HA GLU A 20 0.010 8.163 -5.346 1.00 65.31 H new ATOM 0 HB2 GLU A 20 -2.223 8.464 -7.382 1.00 32.13 H new ATOM 0 HB3 GLU A 20 -2.271 9.118 -5.757 1.00 32.13 H new ATOM 0 HG2 GLU A 20 -0.691 10.759 -6.210 1.00 53.12 H new ATOM 0 HG3 GLU A 20 0.179 9.764 -7.361 1.00 53.12 H new ATOM 298 N GLU A 21 -1.215 6.424 -4.151 1.00 73.54 N ATOM 299 CA GLU A 21 -1.886 5.372 -3.406 1.00 45.01 C ATOM 300 C GLU A 21 -3.381 5.672 -3.293 1.00 75.53 C ATOM 301 O GLU A 21 -3.784 6.833 -3.263 1.00 35.11 O ATOM 302 CB GLU A 21 -1.256 5.193 -2.023 1.00 23.21 C ATOM 303 CG GLU A 21 -2.087 4.243 -1.161 1.00 33.44 C ATOM 304 CD GLU A 21 -1.624 4.277 0.297 1.00 51.13 C ATOM 305 OE1 GLU A 21 -0.574 3.706 0.628 1.00 54.52 O ATOM 306 OE2 GLU A 21 -2.397 4.927 1.099 1.00 32.41 O ATOM 0 H GLU A 21 -0.587 7.006 -3.596 1.00 73.54 H new ATOM 0 HA GLU A 21 -1.764 4.435 -3.949 1.00 45.01 H new ATOM 0 HB2 GLU A 21 -0.244 4.803 -2.128 1.00 23.21 H new ATOM 0 HB3 GLU A 21 -1.174 6.161 -1.529 1.00 23.21 H new ATOM 0 HG2 GLU A 21 -3.139 4.521 -1.218 1.00 33.44 H new ATOM 0 HG3 GLU A 21 -2.004 3.228 -1.549 1.00 33.44 H new ATOM 313 N GLY A 22 -4.163 4.604 -3.233 1.00 12.41 N ATOM 314 CA GLY A 22 -5.606 4.738 -3.124 1.00 53.10 C ATOM 315 C GLY A 22 -6.168 3.781 -2.071 1.00 10.23 C ATOM 316 O GLY A 22 -5.418 3.034 -1.444 1.00 35.23 O ATOM 0 H GLY A 22 -3.825 3.642 -3.258 1.00 12.41 H new ATOM 0 HA2 GLY A 22 -5.860 5.765 -2.860 1.00 53.10 H new ATOM 0 HA3 GLY A 22 -6.068 4.533 -4.090 1.00 53.10 H new ATOM 320 N GLY A 23 -7.482 3.836 -1.909 1.00 24.21 N ATOM 321 CA GLY A 23 -8.152 2.983 -0.942 1.00 50.41 C ATOM 322 C GLY A 23 -8.660 1.699 -1.603 1.00 0.35 C ATOM 323 O GLY A 23 -9.797 1.289 -1.375 1.00 62.33 O ATOM 0 H GLY A 23 -8.100 4.457 -2.431 1.00 24.21 H new ATOM 0 HA2 GLY A 23 -7.464 2.733 -0.134 1.00 50.41 H new ATOM 0 HA3 GLY A 23 -8.988 3.521 -0.494 1.00 50.41 H new ATOM 327 N GLY A 24 -7.792 1.102 -2.405 1.00 42.05 N ATOM 328 CA GLY A 24 -8.137 -0.127 -3.100 1.00 53.15 C ATOM 329 C GLY A 24 -6.882 -0.866 -3.565 1.00 51.04 C ATOM 330 O GLY A 24 -5.858 -0.243 -3.844 1.00 74.52 O ATOM 0 H GLY A 24 -6.850 1.446 -2.590 1.00 42.05 H new ATOM 0 HA2 GLY A 24 -8.719 -0.771 -2.440 1.00 53.15 H new ATOM 0 HA3 GLY A 24 -8.768 0.102 -3.959 1.00 53.15 H new ATOM 334 N THR A 25 -7.001 -2.184 -3.633 1.00 54.54 N ATOM 335 CA THR A 25 -5.888 -3.015 -4.060 1.00 31.21 C ATOM 336 C THR A 25 -5.912 -3.201 -5.578 1.00 54.23 C ATOM 337 O THR A 25 -6.982 -3.309 -6.177 1.00 63.45 O ATOM 338 CB THR A 25 -5.957 -4.332 -3.285 1.00 50.42 C ATOM 339 OG1 THR A 25 -4.758 -5.011 -3.646 1.00 21.23 O ATOM 340 CG2 THR A 25 -7.072 -5.251 -3.790 1.00 1.44 C ATOM 0 H THR A 25 -7.851 -2.697 -3.400 1.00 54.54 H new ATOM 0 HA THR A 25 -4.932 -2.540 -3.838 1.00 31.21 H new ATOM 0 HB THR A 25 -6.111 -4.122 -2.227 1.00 50.42 H new ATOM 0 HG1 THR A 25 -4.981 -5.847 -4.106 1.00 21.23 H new ATOM 0 HG21 THR A 25 -7.077 -6.171 -3.206 1.00 1.44 H new ATOM 0 HG22 THR A 25 -8.034 -4.749 -3.684 1.00 1.44 H new ATOM 0 HG23 THR A 25 -6.900 -5.488 -4.840 1.00 1.44 H new ATOM 348 N LEU A 26 -4.722 -3.233 -6.158 1.00 3.44 N ATOM 349 CA LEU A 26 -4.593 -3.405 -7.595 1.00 5.22 C ATOM 350 C LEU A 26 -4.873 -4.864 -7.957 1.00 14.12 C ATOM 351 O LEU A 26 -4.191 -5.769 -7.477 1.00 12.25 O ATOM 352 CB LEU A 26 -3.229 -2.903 -8.074 1.00 3.14 C ATOM 353 CG LEU A 26 -2.740 -1.592 -7.454 1.00 51.24 C ATOM 354 CD1 LEU A 26 -1.245 -1.390 -7.706 1.00 21.44 C ATOM 355 CD2 LEU A 26 -3.570 -0.408 -7.954 1.00 11.51 C ATOM 0 H LEU A 26 -3.837 -3.143 -5.659 1.00 3.44 H new ATOM 0 HA LEU A 26 -5.332 -2.799 -8.119 1.00 5.22 H new ATOM 0 HB2 LEU A 26 -2.488 -3.676 -7.871 1.00 3.14 H new ATOM 0 HB3 LEU A 26 -3.270 -2.777 -9.156 1.00 3.14 H new ATOM 0 HG LEU A 26 -2.879 -1.651 -6.375 1.00 51.24 H new ATOM 0 HD11 LEU A 26 -0.924 -0.451 -7.255 1.00 21.44 H new ATOM 0 HD12 LEU A 26 -0.687 -2.215 -7.264 1.00 21.44 H new ATOM 0 HD13 LEU A 26 -1.058 -1.360 -8.779 1.00 21.44 H new ATOM 0 HD21 LEU A 26 -3.203 0.512 -7.499 1.00 11.51 H new ATOM 0 HD22 LEU A 26 -3.484 -0.336 -9.038 1.00 11.51 H new ATOM 0 HD23 LEU A 26 -4.615 -0.555 -7.682 1.00 11.51 H new ATOM 367 N VAL A 27 -5.878 -5.049 -8.800 1.00 52.30 N ATOM 368 CA VAL A 27 -6.257 -6.383 -9.232 1.00 73.14 C ATOM 369 C VAL A 27 -5.978 -6.528 -10.730 1.00 71.43 C ATOM 370 O VAL A 27 -6.135 -5.574 -11.489 1.00 54.22 O ATOM 371 CB VAL A 27 -7.717 -6.657 -8.867 1.00 54.34 C ATOM 372 CG1 VAL A 27 -8.314 -7.741 -9.766 1.00 25.43 C ATOM 373 CG2 VAL A 27 -7.852 -7.033 -7.389 1.00 40.45 C ATOM 0 H VAL A 27 -6.442 -4.297 -9.196 1.00 52.30 H new ATOM 0 HA VAL A 27 -5.660 -7.135 -8.716 1.00 73.14 H new ATOM 0 HB VAL A 27 -8.281 -5.739 -9.032 1.00 54.34 H new ATOM 0 HG11 VAL A 27 -9.352 -7.916 -9.485 1.00 25.43 H new ATOM 0 HG12 VAL A 27 -8.269 -7.417 -10.806 1.00 25.43 H new ATOM 0 HG13 VAL A 27 -7.746 -8.664 -9.649 1.00 25.43 H new ATOM 0 HG21 VAL A 27 -8.900 -7.223 -7.156 1.00 40.45 H new ATOM 0 HG22 VAL A 27 -7.267 -7.930 -7.187 1.00 40.45 H new ATOM 0 HG23 VAL A 27 -7.485 -6.214 -6.770 1.00 40.45 H new ATOM 383 N CYS A 28 -5.569 -7.730 -11.109 1.00 41.00 N ATOM 384 CA CYS A 28 -5.267 -8.012 -12.502 1.00 21.30 C ATOM 385 C CYS A 28 -5.528 -9.498 -12.759 1.00 72.23 C ATOM 386 O CYS A 28 -5.063 -10.352 -12.007 1.00 24.54 O ATOM 387 CB CYS A 28 -3.835 -7.614 -12.863 1.00 3.44 C ATOM 388 SG CYS A 28 -3.474 -7.581 -14.657 1.00 34.32 S ATOM 0 H CYS A 28 -5.440 -8.519 -10.476 1.00 41.00 H new ATOM 0 HA CYS A 28 -5.913 -7.414 -13.144 1.00 21.30 H new ATOM 0 HB2 CYS A 28 -3.632 -6.627 -12.448 1.00 3.44 H new ATOM 0 HB3 CYS A 28 -3.148 -8.310 -12.381 1.00 3.44 H new ATOM 393 N CYS A 29 -6.271 -9.760 -13.824 1.00 13.15 N ATOM 394 CA CYS A 29 -6.599 -11.127 -14.189 1.00 20.41 C ATOM 395 C CYS A 29 -7.346 -11.772 -13.019 1.00 53.42 C ATOM 396 O CYS A 29 -6.981 -12.855 -12.566 1.00 64.41 O ATOM 397 CB CYS A 29 -5.352 -11.924 -14.578 1.00 4.00 C ATOM 398 SG CYS A 29 -4.366 -11.192 -15.934 1.00 64.32 S ATOM 0 H CYS A 29 -6.655 -9.049 -14.446 1.00 13.15 H new ATOM 0 HA CYS A 29 -7.239 -11.126 -15.071 1.00 20.41 H new ATOM 0 HB2 CYS A 29 -4.715 -12.027 -13.699 1.00 4.00 H new ATOM 0 HB3 CYS A 29 -5.657 -12.929 -14.871 1.00 4.00 H new ATOM 403 N GLY A 30 -8.378 -11.077 -12.563 1.00 42.35 N ATOM 404 CA GLY A 30 -9.179 -11.567 -11.455 1.00 32.43 C ATOM 405 C GLY A 30 -8.294 -11.967 -10.273 1.00 24.03 C ATOM 406 O GLY A 30 -8.715 -12.734 -9.408 1.00 3.32 O ATOM 0 H GLY A 30 -8.678 -10.178 -12.941 1.00 42.35 H new ATOM 0 HA2 GLY A 30 -9.883 -10.796 -11.142 1.00 32.43 H new ATOM 0 HA3 GLY A 30 -9.768 -12.425 -11.779 1.00 32.43 H new ATOM 410 N GLU A 31 -7.082 -11.431 -10.275 1.00 1.35 N ATOM 411 CA GLU A 31 -6.133 -11.722 -9.213 1.00 0.33 C ATOM 412 C GLU A 31 -5.723 -10.433 -8.498 1.00 53.50 C ATOM 413 O GLU A 31 -6.233 -9.357 -8.810 1.00 71.11 O ATOM 414 CB GLU A 31 -4.909 -12.459 -9.760 1.00 3.33 C ATOM 415 CG GLU A 31 -4.868 -13.903 -9.257 1.00 35.42 C ATOM 416 CD GLU A 31 -3.931 -14.039 -8.055 1.00 73.41 C ATOM 417 OE1 GLU A 31 -2.706 -14.115 -8.229 1.00 43.33 O ATOM 418 OE2 GLU A 31 -4.518 -14.065 -6.907 1.00 33.21 O ATOM 0 H GLU A 31 -6.735 -10.797 -10.995 1.00 1.35 H new ATOM 0 HA GLU A 31 -6.618 -12.377 -8.489 1.00 0.33 H new ATOM 0 HB2 GLU A 31 -4.932 -12.450 -10.850 1.00 3.33 H new ATOM 0 HB3 GLU A 31 -4.001 -11.938 -9.456 1.00 3.33 H new ATOM 0 HG2 GLU A 31 -5.872 -14.223 -8.978 1.00 35.42 H new ATOM 0 HG3 GLU A 31 -4.535 -14.562 -10.059 1.00 35.42 H new ATOM 425 N ASP A 32 -4.807 -10.582 -7.553 1.00 73.30 N ATOM 426 CA ASP A 32 -4.324 -9.444 -6.792 1.00 0.30 C ATOM 427 C ASP A 32 -2.856 -9.189 -7.140 1.00 3.30 C ATOM 428 O ASP A 32 -1.979 -9.956 -6.747 1.00 3.42 O ATOM 429 CB ASP A 32 -4.413 -9.709 -5.288 1.00 15.12 C ATOM 430 CG ASP A 32 -5.193 -8.660 -4.492 1.00 23.45 C ATOM 431 OD1 ASP A 32 -5.614 -7.628 -5.035 1.00 75.53 O ATOM 432 OD2 ASP A 32 -5.365 -8.940 -3.244 1.00 0.53 O ATOM 0 H ASP A 32 -4.386 -11.475 -7.297 1.00 73.30 H new ATOM 0 HA ASP A 32 -4.943 -8.583 -7.044 1.00 0.30 H new ATOM 0 HB2 ASP A 32 -4.879 -10.682 -5.133 1.00 15.12 H new ATOM 0 HB3 ASP A 32 -3.402 -9.772 -4.885 1.00 15.12 H new ATOM 437 N MET A 33 -2.635 -8.109 -7.875 1.00 12.12 N ATOM 438 CA MET A 33 -1.288 -7.743 -8.281 1.00 12.24 C ATOM 439 C MET A 33 -0.298 -7.932 -7.131 1.00 34.35 C ATOM 440 O MET A 33 -0.673 -7.841 -5.962 1.00 72.11 O ATOM 441 CB MET A 33 -1.270 -6.282 -8.735 1.00 35.31 C ATOM 442 CG MET A 33 -1.503 -6.174 -10.243 1.00 51.03 C ATOM 443 SD MET A 33 -2.644 -4.845 -10.591 1.00 1.03 S ATOM 444 CE MET A 33 -1.491 -3.541 -10.984 1.00 71.25 C ATOM 0 H MET A 33 -3.366 -7.476 -8.200 1.00 12.12 H new ATOM 0 HA MET A 33 -0.988 -8.392 -9.104 1.00 12.24 H new ATOM 0 HB2 MET A 33 -2.040 -5.723 -8.203 1.00 35.31 H new ATOM 0 HB3 MET A 33 -0.312 -5.829 -8.478 1.00 35.31 H new ATOM 0 HG2 MET A 33 -0.557 -5.995 -10.754 1.00 51.03 H new ATOM 0 HG3 MET A 33 -1.899 -7.114 -10.626 1.00 51.03 H new ATOM 0 HE1 MET A 33 -1.990 -2.576 -10.897 1.00 71.25 H new ATOM 0 HE2 MET A 33 -0.650 -3.579 -10.292 1.00 71.25 H new ATOM 0 HE3 MET A 33 -1.128 -3.671 -12.004 1.00 71.25 H new ATOM 454 N VAL A 34 0.947 -8.192 -7.500 1.00 13.21 N ATOM 455 CA VAL A 34 1.994 -8.395 -6.513 1.00 63.53 C ATOM 456 C VAL A 34 2.861 -7.137 -6.430 1.00 64.10 C ATOM 457 O VAL A 34 2.812 -6.285 -7.315 1.00 53.12 O ATOM 458 CB VAL A 34 2.797 -9.653 -6.853 1.00 14.02 C ATOM 459 CG1 VAL A 34 3.706 -10.053 -5.690 1.00 22.43 C ATOM 460 CG2 VAL A 34 1.870 -10.805 -7.246 1.00 52.05 C ATOM 0 H VAL A 34 1.255 -8.267 -8.470 1.00 13.21 H new ATOM 0 HA VAL A 34 1.562 -8.558 -5.526 1.00 63.53 H new ATOM 0 HB VAL A 34 3.430 -9.425 -7.710 1.00 14.02 H new ATOM 0 HG11 VAL A 34 4.265 -10.950 -5.957 1.00 22.43 H new ATOM 0 HG12 VAL A 34 4.402 -9.242 -5.476 1.00 22.43 H new ATOM 0 HG13 VAL A 34 3.100 -10.253 -4.807 1.00 22.43 H new ATOM 0 HG21 VAL A 34 2.466 -11.687 -7.483 1.00 52.05 H new ATOM 0 HG22 VAL A 34 1.200 -11.032 -6.417 1.00 52.05 H new ATOM 0 HG23 VAL A 34 1.283 -10.518 -8.119 1.00 52.05 H new ATOM 470 N LYS A 35 3.635 -7.061 -5.357 1.00 41.31 N ATOM 471 CA LYS A 35 4.511 -5.921 -5.146 1.00 63.25 C ATOM 472 C LYS A 35 5.963 -6.352 -5.367 1.00 35.30 C ATOM 473 O LYS A 35 6.399 -7.374 -4.838 1.00 54.52 O ATOM 474 CB LYS A 35 4.258 -5.296 -3.773 1.00 73.21 C ATOM 475 CG LYS A 35 5.186 -4.104 -3.533 1.00 22.55 C ATOM 476 CD LYS A 35 6.474 -4.545 -2.834 1.00 62.42 C ATOM 477 CE LYS A 35 7.573 -3.493 -2.998 1.00 10.15 C ATOM 478 NZ LYS A 35 7.811 -2.790 -1.717 1.00 21.11 N ATOM 0 H LYS A 35 3.674 -7.770 -4.625 1.00 41.31 H new ATOM 0 HA LYS A 35 4.296 -5.136 -5.871 1.00 63.25 H new ATOM 0 HB2 LYS A 35 3.219 -4.973 -3.703 1.00 73.21 H new ATOM 0 HB3 LYS A 35 4.412 -6.044 -2.995 1.00 73.21 H new ATOM 0 HG2 LYS A 35 5.428 -3.630 -4.484 1.00 22.55 H new ATOM 0 HG3 LYS A 35 4.675 -3.357 -2.925 1.00 22.55 H new ATOM 0 HD2 LYS A 35 6.279 -4.711 -1.774 1.00 62.42 H new ATOM 0 HD3 LYS A 35 6.810 -5.495 -3.249 1.00 62.42 H new ATOM 0 HE2 LYS A 35 8.494 -3.969 -3.335 1.00 10.15 H new ATOM 0 HE3 LYS A 35 7.286 -2.775 -3.766 1.00 10.15 H new ATOM 0 HZ1 LYS A 35 8.812 -2.516 -1.652 1.00 21.11 H new ATOM 0 HZ2 LYS A 35 7.216 -1.938 -1.673 1.00 21.11 H new ATOM 0 HZ3 LYS A 35 7.572 -3.421 -0.925 1.00 21.11 H new ATOM 491 N GLN A 36 6.672 -5.551 -6.148 1.00 62.03 N ATOM 492 CA GLN A 36 8.066 -5.836 -6.446 1.00 34.11 C ATOM 493 C GLN A 36 8.939 -5.542 -5.225 1.00 5.34 C ATOM 494 O GLN A 36 9.593 -4.501 -5.162 1.00 21.33 O ATOM 495 CB GLN A 36 8.540 -5.043 -7.665 1.00 32.15 C ATOM 496 CG GLN A 36 7.519 -5.120 -8.801 1.00 53.12 C ATOM 497 CD GLN A 36 7.562 -6.489 -9.485 1.00 42.41 C ATOM 498 OE1 GLN A 36 8.356 -6.741 -10.376 1.00 42.23 O ATOM 499 NE2 GLN A 36 6.667 -7.354 -9.019 1.00 52.04 N ATOM 0 H GLN A 36 6.307 -4.704 -6.584 1.00 62.03 H new ATOM 0 HA GLN A 36 8.157 -6.895 -6.687 1.00 34.11 H new ATOM 0 HB2 GLN A 36 8.700 -4.002 -7.386 1.00 32.15 H new ATOM 0 HB3 GLN A 36 9.499 -5.433 -8.006 1.00 32.15 H new ATOM 0 HG2 GLN A 36 6.519 -4.937 -8.409 1.00 53.12 H new ATOM 0 HG3 GLN A 36 7.723 -4.338 -9.532 1.00 53.12 H new ATOM 0 HE21 GLN A 36 6.032 -7.077 -8.271 1.00 52.04 H new ATOM 0 HE22 GLN A 36 6.616 -8.295 -9.410 1.00 52.04 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -3.321 -1.294 -23.015 1.00 2.53 N ATOM 510 CA ALA B 1 -2.424 -0.272 -22.502 1.00 64.44 C ATOM 511 C ALA B 1 -1.055 -0.420 -23.170 1.00 32.41 C ATOM 512 O ALA B 1 -0.627 -1.532 -23.477 1.00 72.41 O ATOM 513 CB ALA B 1 -2.344 -0.380 -20.978 1.00 64.32 C ATOM 0 H1 ALA B 1 -3.842 -1.726 -22.226 1.00 2.53 H new ATOM 0 H2 ALA B 1 -3.995 -0.863 -23.680 1.00 2.53 H new ATOM 0 H3 ALA B 1 -2.769 -2.025 -23.507 1.00 2.53 H new ATOM 0 HA ALA B 1 -2.801 0.723 -22.738 1.00 64.44 H new ATOM 0 HB1 ALA B 1 -1.671 0.387 -20.594 1.00 64.32 H new ATOM 0 HB2 ALA B 1 -3.337 -0.239 -20.551 1.00 64.32 H new ATOM 0 HB3 ALA B 1 -1.967 -1.365 -20.702 1.00 64.32 H new ATOM 519 N ASN B 2 -0.406 0.716 -23.374 1.00 43.31 N ATOM 520 CA ASN B 2 0.906 0.727 -24.000 1.00 73.01 C ATOM 521 C ASN B 2 1.956 1.143 -22.968 1.00 13.35 C ATOM 522 O ASN B 2 1.716 2.039 -22.160 1.00 11.02 O ATOM 523 CB ASN B 2 0.956 1.727 -25.156 1.00 44.50 C ATOM 524 CG ASN B 2 -0.248 1.556 -26.083 1.00 41.32 C ATOM 525 OD1 ASN B 2 -0.406 0.554 -26.759 1.00 64.45 O ATOM 526 ND2 ASN B 2 -1.086 2.589 -26.078 1.00 11.31 N ATOM 0 H ASN B 2 -0.764 1.636 -23.117 1.00 43.31 H new ATOM 0 HA ASN B 2 1.106 -0.274 -24.381 1.00 73.01 H new ATOM 0 HB2 ASN B 2 0.974 2.743 -24.762 1.00 44.50 H new ATOM 0 HB3 ASN B 2 1.877 1.588 -25.722 1.00 44.50 H new ATOM 0 HD21 ASN B 2 -1.920 2.572 -26.665 1.00 11.31 H new ATOM 0 HD22 ASN B 2 -0.894 3.398 -25.488 1.00 11.31 H new ATOM 533 N GLU B 3 3.096 0.472 -23.027 1.00 40.32 N ATOM 534 CA GLU B 3 4.183 0.761 -22.107 1.00 23.34 C ATOM 535 C GLU B 3 4.452 2.267 -22.059 1.00 34.44 C ATOM 536 O GLU B 3 4.909 2.851 -23.039 1.00 45.01 O ATOM 537 CB GLU B 3 5.448 -0.009 -22.494 1.00 33.11 C ATOM 538 CG GLU B 3 6.631 0.407 -21.618 1.00 23.25 C ATOM 539 CD GLU B 3 7.812 -0.551 -21.800 1.00 52.43 C ATOM 540 OE1 GLU B 3 8.017 -1.077 -22.904 1.00 20.54 O ATOM 541 OE2 GLU B 3 8.529 -0.739 -20.745 1.00 64.21 O ATOM 0 H GLU B 3 3.291 -0.271 -23.698 1.00 40.32 H new ATOM 0 HA GLU B 3 3.887 0.432 -21.111 1.00 23.34 H new ATOM 0 HB2 GLU B 3 5.273 -1.080 -22.390 1.00 33.11 H new ATOM 0 HB3 GLU B 3 5.684 0.175 -23.542 1.00 33.11 H new ATOM 0 HG2 GLU B 3 6.938 1.421 -21.873 1.00 23.25 H new ATOM 0 HG3 GLU B 3 6.326 0.420 -20.571 1.00 23.25 H new ATOM 548 N GLY B 4 4.154 2.851 -20.907 1.00 15.20 N ATOM 549 CA GLY B 4 4.357 4.278 -20.718 1.00 33.22 C ATOM 550 C GLY B 4 3.022 5.001 -20.530 1.00 4.33 C ATOM 551 O GLY B 4 2.965 6.229 -20.576 1.00 24.22 O ATOM 0 H GLY B 4 3.774 2.363 -20.096 1.00 15.20 H new ATOM 0 HA2 GLY B 4 4.992 4.447 -19.848 1.00 33.22 H new ATOM 0 HA3 GLY B 4 4.881 4.692 -21.580 1.00 33.22 H new ATOM 555 N ASP B 5 1.981 4.210 -20.320 1.00 71.34 N ATOM 556 CA ASP B 5 0.651 4.759 -20.124 1.00 74.23 C ATOM 557 C ASP B 5 0.391 4.935 -18.627 1.00 15.13 C ATOM 558 O ASP B 5 0.971 4.226 -17.806 1.00 13.24 O ATOM 559 CB ASP B 5 -0.422 3.820 -20.683 1.00 2.41 C ATOM 560 CG ASP B 5 -0.815 4.082 -22.138 1.00 12.14 C ATOM 561 OD1 ASP B 5 0.155 4.019 -22.985 1.00 25.41 O ATOM 562 OD2 ASP B 5 -1.990 4.333 -22.447 1.00 1.20 O ATOM 0 H ASP B 5 2.032 3.192 -20.281 1.00 71.34 H new ATOM 0 HA ASP B 5 0.602 5.715 -20.646 1.00 74.23 H new ATOM 0 HB2 ASP B 5 -0.065 2.793 -20.598 1.00 2.41 H new ATOM 0 HB3 ASP B 5 -1.314 3.900 -20.061 1.00 2.41 H new ATOM 567 N VAL B 6 -0.481 5.882 -18.317 1.00 53.20 N ATOM 568 CA VAL B 6 -0.825 6.160 -16.932 1.00 41.44 C ATOM 569 C VAL B 6 -2.333 5.986 -16.741 1.00 11.21 C ATOM 570 O VAL B 6 -3.121 6.384 -17.598 1.00 25.34 O ATOM 571 CB VAL B 6 -0.328 7.554 -16.540 1.00 73.41 C ATOM 572 CG1 VAL B 6 -1.184 8.143 -15.417 1.00 2.33 C ATOM 573 CG2 VAL B 6 1.149 7.517 -16.143 1.00 35.12 C ATOM 0 H VAL B 6 -0.960 6.467 -19.001 1.00 53.20 H new ATOM 0 HA VAL B 6 -0.330 5.454 -16.265 1.00 41.44 H new ATOM 0 HB VAL B 6 -0.424 8.203 -17.411 1.00 73.41 H new ATOM 0 HG11 VAL B 6 -0.811 9.133 -15.156 1.00 2.33 H new ATOM 0 HG12 VAL B 6 -2.219 8.221 -15.751 1.00 2.33 H new ATOM 0 HG13 VAL B 6 -1.133 7.494 -14.542 1.00 2.33 H new ATOM 0 HG21 VAL B 6 1.477 8.520 -15.869 1.00 35.12 H new ATOM 0 HG22 VAL B 6 1.281 6.847 -15.293 1.00 35.12 H new ATOM 0 HG23 VAL B 6 1.743 7.158 -16.984 1.00 35.12 H new ATOM 583 N TYR B 7 -2.689 5.393 -15.611 1.00 43.24 N ATOM 584 CA TYR B 7 -4.089 5.161 -15.296 1.00 43.34 C ATOM 585 C TYR B 7 -4.445 5.743 -13.927 1.00 41.42 C ATOM 586 O TYR B 7 -3.691 5.588 -12.967 1.00 14.52 O ATOM 587 CB TYR B 7 -4.266 3.643 -15.254 1.00 23.42 C ATOM 588 CG TYR B 7 -4.642 3.021 -16.601 1.00 3.32 C ATOM 589 CD1 TYR B 7 -3.795 3.156 -17.683 1.00 22.23 C ATOM 590 CD2 TYR B 7 -5.826 2.328 -16.734 1.00 74.53 C ATOM 591 CE1 TYR B 7 -4.149 2.572 -18.950 1.00 63.33 C ATOM 592 CE2 TYR B 7 -6.180 1.743 -18.002 1.00 13.51 C ATOM 593 CZ TYR B 7 -5.324 1.894 -19.048 1.00 11.32 C ATOM 594 OH TYR B 7 -5.658 1.343 -20.245 1.00 24.32 O ATOM 0 H TYR B 7 -2.032 5.066 -14.902 1.00 43.24 H new ATOM 0 HA TYR B 7 -4.733 5.636 -16.036 1.00 43.34 H new ATOM 0 HB2 TYR B 7 -3.339 3.189 -14.902 1.00 23.42 H new ATOM 0 HB3 TYR B 7 -5.038 3.398 -14.524 1.00 23.42 H new ATOM 0 HD1 TYR B 7 -2.868 3.699 -17.579 1.00 22.23 H new ATOM 0 HD2 TYR B 7 -6.488 2.224 -15.887 1.00 74.53 H new ATOM 0 HE1 TYR B 7 -3.496 2.670 -19.804 1.00 63.33 H new ATOM 0 HE2 TYR B 7 -7.104 1.197 -18.119 1.00 13.51 H new ATOM 0 HH TYR B 7 -6.523 0.889 -20.166 1.00 24.32 H new ATOM 604 N LYS B 8 -5.595 6.401 -13.881 1.00 23.10 N ATOM 605 CA LYS B 8 -6.061 7.007 -12.645 1.00 21.51 C ATOM 606 C LYS B 8 -7.524 6.624 -12.415 1.00 21.22 C ATOM 607 O LYS B 8 -8.290 6.486 -13.367 1.00 31.30 O ATOM 608 CB LYS B 8 -5.815 8.516 -12.662 1.00 41.44 C ATOM 609 CG LYS B 8 -6.525 9.201 -11.493 1.00 34.14 C ATOM 610 CD LYS B 8 -7.713 10.031 -11.982 1.00 51.32 C ATOM 611 CE LYS B 8 -8.271 10.907 -10.858 1.00 63.41 C ATOM 612 NZ LYS B 8 -7.902 12.324 -11.073 1.00 50.51 N ATOM 0 H LYS B 8 -6.217 6.527 -14.679 1.00 23.10 H new ATOM 0 HA LYS B 8 -5.494 6.625 -11.796 1.00 21.51 H new ATOM 0 HB2 LYS B 8 -4.744 8.714 -12.608 1.00 41.44 H new ATOM 0 HB3 LYS B 8 -6.170 8.935 -13.604 1.00 41.44 H new ATOM 0 HG2 LYS B 8 -6.870 8.450 -10.782 1.00 34.14 H new ATOM 0 HG3 LYS B 8 -5.822 9.843 -10.962 1.00 34.14 H new ATOM 0 HD2 LYS B 8 -7.403 10.659 -12.817 1.00 51.32 H new ATOM 0 HD3 LYS B 8 -8.495 9.369 -12.354 1.00 51.32 H new ATOM 0 HE2 LYS B 8 -9.356 10.810 -10.818 1.00 63.41 H new ATOM 0 HE3 LYS B 8 -7.885 10.566 -9.897 1.00 63.41 H new ATOM 0 HZ1 LYS B 8 -8.289 12.904 -10.301 1.00 50.51 H new ATOM 0 HZ2 LYS B 8 -6.866 12.414 -11.089 1.00 50.51 H new ATOM 0 HZ3 LYS B 8 -8.292 12.650 -11.980 1.00 50.51 H new ATOM 625 N CYS B 9 -7.868 6.464 -11.145 1.00 10.43 N ATOM 626 CA CYS B 9 -9.226 6.101 -10.778 1.00 14.33 C ATOM 627 C CYS B 9 -10.036 7.387 -10.599 1.00 21.45 C ATOM 628 O CYS B 9 -9.477 8.482 -10.600 1.00 44.55 O ATOM 629 CB CYS B 9 -9.258 5.226 -9.523 1.00 53.42 C ATOM 630 SG CYS B 9 -10.835 4.335 -9.248 1.00 0.14 S ATOM 0 H CYS B 9 -7.230 6.579 -10.358 1.00 10.43 H new ATOM 0 HA CYS B 9 -9.672 5.500 -11.571 1.00 14.33 H new ATOM 0 HB2 CYS B 9 -8.451 4.496 -9.585 1.00 53.42 H new ATOM 0 HB3 CYS B 9 -9.055 5.853 -8.655 1.00 53.42 H new ATOM 635 N GLU B 10 -11.341 7.210 -10.447 1.00 64.44 N ATOM 636 CA GLU B 10 -12.232 8.342 -10.267 1.00 55.45 C ATOM 637 C GLU B 10 -12.949 8.244 -8.920 1.00 14.25 C ATOM 638 O GLU B 10 -13.861 9.021 -8.639 1.00 2.32 O ATOM 639 CB GLU B 10 -13.238 8.438 -11.417 1.00 62.11 C ATOM 640 CG GLU B 10 -12.521 8.579 -12.761 1.00 41.53 C ATOM 641 CD GLU B 10 -11.914 9.976 -12.914 1.00 72.23 C ATOM 642 OE1 GLU B 10 -11.104 10.395 -12.075 1.00 23.52 O ATOM 643 OE2 GLU B 10 -12.312 10.632 -13.951 1.00 4.31 O ATOM 0 H GLU B 10 -11.801 6.300 -10.445 1.00 64.44 H new ATOM 0 HA GLU B 10 -11.634 9.253 -10.274 1.00 55.45 H new ATOM 0 HB2 GLU B 10 -13.869 7.549 -11.429 1.00 62.11 H new ATOM 0 HB3 GLU B 10 -13.895 9.293 -11.260 1.00 62.11 H new ATOM 0 HG2 GLU B 10 -11.736 7.827 -12.839 1.00 41.53 H new ATOM 0 HG3 GLU B 10 -13.223 8.393 -13.573 1.00 41.53 H new ATOM 650 N LEU B 11 -12.512 7.282 -8.120 1.00 43.02 N ATOM 651 CA LEU B 11 -13.100 7.071 -6.809 1.00 44.42 C ATOM 652 C LEU B 11 -11.986 6.977 -5.764 1.00 21.21 C ATOM 653 O LEU B 11 -11.850 7.857 -4.915 1.00 41.23 O ATOM 654 CB LEU B 11 -14.030 5.858 -6.828 1.00 32.11 C ATOM 655 CG LEU B 11 -14.164 5.094 -5.508 1.00 50.32 C ATOM 656 CD1 LEU B 11 -15.072 5.845 -4.531 1.00 62.35 C ATOM 657 CD2 LEU B 11 -14.642 3.662 -5.749 1.00 61.41 C ATOM 0 H LEU B 11 -11.756 6.639 -8.356 1.00 43.02 H new ATOM 0 HA LEU B 11 -13.726 7.919 -6.531 1.00 44.42 H new ATOM 0 HB2 LEU B 11 -15.022 6.190 -7.135 1.00 32.11 H new ATOM 0 HB3 LEU B 11 -13.676 5.165 -7.591 1.00 32.11 H new ATOM 0 HG LEU B 11 -13.178 5.030 -5.048 1.00 50.32 H new ATOM 0 HD11 LEU B 11 -15.151 5.282 -3.601 1.00 62.35 H new ATOM 0 HD12 LEU B 11 -14.650 6.829 -4.325 1.00 62.35 H new ATOM 0 HD13 LEU B 11 -16.063 5.960 -4.970 1.00 62.35 H new ATOM 0 HD21 LEU B 11 -14.729 3.142 -4.795 1.00 61.41 H new ATOM 0 HD22 LEU B 11 -15.614 3.681 -6.241 1.00 61.41 H new ATOM 0 HD23 LEU B 11 -13.924 3.141 -6.383 1.00 61.41 H new ATOM 669 N CYS B 12 -11.218 5.902 -5.860 1.00 43.03 N ATOM 670 CA CYS B 12 -10.120 5.681 -4.934 1.00 72.13 C ATOM 671 C CYS B 12 -9.029 6.711 -5.229 1.00 40.00 C ATOM 672 O CYS B 12 -8.122 6.908 -4.422 1.00 23.53 O ATOM 673 CB CYS B 12 -9.590 4.248 -5.017 1.00 62.25 C ATOM 674 SG CYS B 12 -8.658 3.862 -6.544 1.00 5.33 S ATOM 0 H CYS B 12 -11.334 5.174 -6.565 1.00 43.03 H new ATOM 0 HA CYS B 12 -10.472 5.809 -3.910 1.00 72.13 H new ATOM 0 HB2 CYS B 12 -8.945 4.064 -4.158 1.00 62.25 H new ATOM 0 HB3 CYS B 12 -10.431 3.559 -4.937 1.00 62.25 H new ATOM 679 N GLY B 13 -9.151 7.342 -6.387 1.00 51.42 N ATOM 680 CA GLY B 13 -8.186 8.348 -6.799 1.00 34.33 C ATOM 681 C GLY B 13 -6.765 7.783 -6.777 1.00 3.25 C ATOM 682 O GLY B 13 -5.850 8.415 -6.250 1.00 1.12 O ATOM 0 H GLY B 13 -9.904 7.176 -7.054 1.00 51.42 H new ATOM 0 HA2 GLY B 13 -8.427 8.699 -7.803 1.00 34.33 H new ATOM 0 HA3 GLY B 13 -8.249 9.211 -6.136 1.00 34.33 H new ATOM 686 N GLN B 14 -6.623 6.601 -7.357 1.00 25.04 N ATOM 687 CA GLN B 14 -5.327 5.944 -7.411 1.00 15.52 C ATOM 688 C GLN B 14 -4.690 6.141 -8.788 1.00 42.15 C ATOM 689 O GLN B 14 -5.351 5.974 -9.812 1.00 32.23 O ATOM 690 CB GLN B 14 -5.451 4.458 -7.072 1.00 33.13 C ATOM 691 CG GLN B 14 -4.117 3.736 -7.274 1.00 52.34 C ATOM 692 CD GLN B 14 -3.831 2.777 -6.117 1.00 72.43 C ATOM 693 OE1 GLN B 14 -2.905 2.956 -5.344 1.00 32.34 O ATOM 694 NE2 GLN B 14 -4.676 1.753 -6.043 1.00 30.33 N ATOM 0 H GLN B 14 -7.384 6.080 -7.794 1.00 25.04 H new ATOM 0 HA GLN B 14 -4.678 6.400 -6.663 1.00 15.52 H new ATOM 0 HB2 GLN B 14 -5.778 4.343 -6.038 1.00 33.13 H new ATOM 0 HB3 GLN B 14 -6.215 4.000 -7.701 1.00 33.13 H new ATOM 0 HG2 GLN B 14 -4.138 3.183 -8.213 1.00 52.34 H new ATOM 0 HG3 GLN B 14 -3.312 4.467 -7.352 1.00 52.34 H new ATOM 0 HE21 GLN B 14 -5.430 1.664 -6.724 1.00 30.33 H new ATOM 0 HE22 GLN B 14 -4.570 1.057 -5.305 1.00 30.33 H new ATOM 703 N VAL B 15 -3.413 6.493 -8.769 1.00 42.05 N ATOM 704 CA VAL B 15 -2.679 6.713 -10.004 1.00 4.21 C ATOM 705 C VAL B 15 -1.537 5.699 -10.102 1.00 11.53 C ATOM 706 O VAL B 15 -0.753 5.550 -9.165 1.00 74.44 O ATOM 707 CB VAL B 15 -2.197 8.164 -10.074 1.00 54.12 C ATOM 708 CG1 VAL B 15 -1.418 8.421 -11.365 1.00 2.41 C ATOM 709 CG2 VAL B 15 -3.369 9.138 -9.938 1.00 1.24 C ATOM 0 H VAL B 15 -2.868 6.631 -7.918 1.00 42.05 H new ATOM 0 HA VAL B 15 -3.327 6.557 -10.866 1.00 4.21 H new ATOM 0 HB VAL B 15 -1.521 8.333 -9.236 1.00 54.12 H new ATOM 0 HG11 VAL B 15 -1.087 9.459 -11.390 1.00 2.41 H new ATOM 0 HG12 VAL B 15 -0.550 7.762 -11.404 1.00 2.41 H new ATOM 0 HG13 VAL B 15 -2.061 8.225 -12.223 1.00 2.41 H new ATOM 0 HG21 VAL B 15 -2.999 10.162 -9.991 1.00 1.24 H new ATOM 0 HG22 VAL B 15 -4.080 8.967 -10.746 1.00 1.24 H new ATOM 0 HG23 VAL B 15 -3.864 8.980 -8.980 1.00 1.24 H new ATOM 719 N VAL B 16 -1.480 5.029 -11.244 1.00 11.53 N ATOM 720 CA VAL B 16 -0.447 4.034 -11.476 1.00 73.21 C ATOM 721 C VAL B 16 0.059 4.158 -12.914 1.00 34.21 C ATOM 722 O VAL B 16 -0.590 4.779 -13.754 1.00 34.03 O ATOM 723 CB VAL B 16 -0.984 2.639 -11.148 1.00 64.45 C ATOM 724 CG1 VAL B 16 -1.118 2.444 -9.637 1.00 14.54 C ATOM 725 CG2 VAL B 16 -2.316 2.383 -11.856 1.00 23.32 C ATOM 0 H VAL B 16 -2.132 5.156 -12.018 1.00 11.53 H new ATOM 0 HA VAL B 16 0.404 4.204 -10.817 1.00 73.21 H new ATOM 0 HB VAL B 16 -0.264 1.908 -11.516 1.00 64.45 H new ATOM 0 HG11 VAL B 16 -1.502 1.445 -9.432 1.00 14.54 H new ATOM 0 HG12 VAL B 16 -0.142 2.562 -9.167 1.00 14.54 H new ATOM 0 HG13 VAL B 16 -1.807 3.187 -9.234 1.00 14.54 H new ATOM 0 HG21 VAL B 16 -2.675 1.385 -11.606 1.00 23.32 H new ATOM 0 HG22 VAL B 16 -3.048 3.123 -11.533 1.00 23.32 H new ATOM 0 HG23 VAL B 16 -2.175 2.458 -12.934 1.00 23.32 H new ATOM 735 N LYS B 17 1.214 3.555 -13.155 1.00 24.45 N ATOM 736 CA LYS B 17 1.816 3.589 -14.477 1.00 14.23 C ATOM 737 C LYS B 17 1.807 2.180 -15.073 1.00 4.21 C ATOM 738 O LYS B 17 1.687 1.195 -14.346 1.00 51.44 O ATOM 739 CB LYS B 17 3.207 4.224 -14.416 1.00 31.22 C ATOM 740 CG LYS B 17 4.153 3.567 -15.423 1.00 20.21 C ATOM 741 CD LYS B 17 4.020 4.213 -16.803 1.00 41.43 C ATOM 742 CE LYS B 17 5.009 5.369 -16.964 1.00 44.21 C ATOM 743 NZ LYS B 17 6.075 5.009 -17.925 1.00 65.21 N ATOM 0 H LYS B 17 1.749 3.040 -12.456 1.00 24.45 H new ATOM 0 HA LYS B 17 1.232 4.221 -15.146 1.00 14.23 H new ATOM 0 HB2 LYS B 17 3.133 5.291 -14.624 1.00 31.22 H new ATOM 0 HB3 LYS B 17 3.613 4.123 -13.410 1.00 31.22 H new ATOM 0 HG2 LYS B 17 5.181 3.657 -15.073 1.00 20.21 H new ATOM 0 HG3 LYS B 17 3.932 2.502 -15.493 1.00 20.21 H new ATOM 0 HD2 LYS B 17 4.198 3.466 -17.577 1.00 41.43 H new ATOM 0 HD3 LYS B 17 3.002 4.578 -16.941 1.00 41.43 H new ATOM 0 HE2 LYS B 17 4.484 6.259 -17.311 1.00 44.21 H new ATOM 0 HE3 LYS B 17 5.450 5.615 -15.998 1.00 44.21 H new ATOM 0 HZ1 LYS B 17 6.998 5.036 -17.446 1.00 65.21 H new ATOM 0 HZ2 LYS B 17 5.903 4.051 -18.291 1.00 65.21 H new ATOM 0 HZ3 LYS B 17 6.074 5.687 -18.714 1.00 65.21 H new ATOM 756 N VAL B 18 1.938 2.129 -16.390 1.00 51.24 N ATOM 757 CA VAL B 18 1.947 0.858 -17.093 1.00 24.33 C ATOM 758 C VAL B 18 3.363 0.566 -17.593 1.00 43.04 C ATOM 759 O VAL B 18 3.691 0.855 -18.742 1.00 43.45 O ATOM 760 CB VAL B 18 0.907 0.872 -18.216 1.00 23.11 C ATOM 761 CG1 VAL B 18 1.031 -0.376 -19.093 1.00 34.02 C ATOM 762 CG2 VAL B 18 -0.508 1.008 -17.651 1.00 2.20 C ATOM 0 H VAL B 18 2.039 2.948 -16.989 1.00 51.24 H new ATOM 0 HA VAL B 18 1.667 0.048 -16.420 1.00 24.33 H new ATOM 0 HB VAL B 18 1.102 1.742 -18.843 1.00 23.11 H new ATOM 0 HG11 VAL B 18 0.281 -0.341 -19.883 1.00 34.02 H new ATOM 0 HG12 VAL B 18 2.025 -0.411 -19.538 1.00 34.02 H new ATOM 0 HG13 VAL B 18 0.875 -1.266 -18.483 1.00 34.02 H new ATOM 0 HG21 VAL B 18 -1.228 1.015 -18.470 1.00 2.20 H new ATOM 0 HG22 VAL B 18 -0.718 0.167 -16.991 1.00 2.20 H new ATOM 0 HG23 VAL B 18 -0.588 1.939 -17.090 1.00 2.20 H new ATOM 772 N LEU B 19 4.164 -0.003 -16.705 1.00 3.34 N ATOM 773 CA LEU B 19 5.538 -0.337 -17.041 1.00 40.20 C ATOM 774 C LEU B 19 5.546 -1.349 -18.188 1.00 72.10 C ATOM 775 O LEU B 19 6.343 -1.233 -19.119 1.00 54.33 O ATOM 776 CB LEU B 19 6.295 -0.809 -15.799 1.00 31.23 C ATOM 777 CG LEU B 19 7.577 -0.046 -15.463 1.00 12.32 C ATOM 778 CD1 LEU B 19 8.601 -0.169 -16.593 1.00 10.34 C ATOM 779 CD2 LEU B 19 7.272 1.415 -15.123 1.00 70.13 C ATOM 0 H LEU B 19 3.888 -0.242 -15.752 1.00 3.34 H new ATOM 0 HA LEU B 19 6.070 0.548 -17.392 1.00 40.20 H new ATOM 0 HB2 LEU B 19 5.623 -0.745 -14.943 1.00 31.23 H new ATOM 0 HB3 LEU B 19 6.546 -1.862 -15.930 1.00 31.23 H new ATOM 0 HG LEU B 19 8.021 -0.498 -14.576 1.00 12.32 H new ATOM 0 HD11 LEU B 19 9.503 0.383 -16.328 1.00 10.34 H new ATOM 0 HD12 LEU B 19 8.850 -1.219 -16.746 1.00 10.34 H new ATOM 0 HD13 LEU B 19 8.181 0.242 -17.511 1.00 10.34 H new ATOM 0 HD21 LEU B 19 8.200 1.935 -14.888 1.00 70.13 H new ATOM 0 HD22 LEU B 19 6.793 1.895 -15.977 1.00 70.13 H new ATOM 0 HD23 LEU B 19 6.605 1.457 -14.262 1.00 70.13 H new ATOM 791 N GLU B 20 4.650 -2.319 -18.084 1.00 63.54 N ATOM 792 CA GLU B 20 4.544 -3.352 -19.102 1.00 14.11 C ATOM 793 C GLU B 20 3.085 -3.782 -19.271 1.00 32.41 C ATOM 794 O GLU B 20 2.476 -4.301 -18.337 1.00 73.31 O ATOM 795 CB GLU B 20 5.433 -4.549 -18.763 1.00 62.42 C ATOM 796 CG GLU B 20 4.661 -5.864 -18.905 1.00 1.31 C ATOM 797 CD GLU B 20 5.618 -7.046 -19.074 1.00 54.25 C ATOM 798 OE1 GLU B 20 6.337 -7.401 -18.128 1.00 63.45 O ATOM 799 OE2 GLU B 20 5.598 -7.601 -20.238 1.00 54.22 O ATOM 0 H GLU B 20 3.991 -2.412 -17.311 1.00 63.54 H new ATOM 0 HA GLU B 20 4.893 -2.940 -20.049 1.00 14.11 H new ATOM 0 HB2 GLU B 20 6.301 -4.560 -19.422 1.00 62.42 H new ATOM 0 HB3 GLU B 20 5.808 -4.451 -17.744 1.00 62.42 H new ATOM 0 HG2 GLU B 20 4.036 -6.020 -18.025 1.00 1.31 H new ATOM 0 HG3 GLU B 20 3.993 -5.807 -19.764 1.00 1.31 H new ATOM 806 N GLU B 21 2.568 -3.551 -20.468 1.00 14.43 N ATOM 807 CA GLU B 21 1.192 -3.908 -20.771 1.00 63.13 C ATOM 808 C GLU B 21 0.845 -5.260 -20.146 1.00 64.34 C ATOM 809 O GLU B 21 1.735 -6.050 -19.833 1.00 52.24 O ATOM 810 CB GLU B 21 0.950 -3.923 -22.282 1.00 2.42 C ATOM 811 CG GLU B 21 -0.540 -4.069 -22.597 1.00 32.44 C ATOM 812 CD GLU B 21 -0.786 -4.056 -24.107 1.00 2.20 C ATOM 813 OE1 GLU B 21 0.138 -4.330 -24.887 1.00 21.41 O ATOM 814 OE2 GLU B 21 -1.987 -3.748 -24.461 1.00 64.15 O ATOM 0 H GLU B 21 3.077 -3.121 -21.240 1.00 14.43 H new ATOM 0 HA GLU B 21 0.537 -3.152 -20.339 1.00 63.13 H new ATOM 0 HB2 GLU B 21 1.330 -3.002 -22.724 1.00 2.42 H new ATOM 0 HB3 GLU B 21 1.503 -4.746 -22.734 1.00 2.42 H new ATOM 0 HG2 GLU B 21 -0.916 -5.000 -22.172 1.00 32.44 H new ATOM 0 HG3 GLU B 21 -1.096 -3.257 -22.128 1.00 32.44 H new ATOM 821 N GLY B 22 -0.450 -5.487 -19.984 1.00 1.55 N ATOM 822 CA GLY B 22 -0.925 -6.731 -19.402 1.00 52.41 C ATOM 823 C GLY B 22 -1.900 -7.439 -20.345 1.00 1.41 C ATOM 824 O GLY B 22 -1.758 -7.360 -21.564 1.00 34.25 O ATOM 0 H GLY B 22 -1.185 -4.830 -20.246 1.00 1.55 H new ATOM 0 HA2 GLY B 22 -0.079 -7.384 -19.190 1.00 52.41 H new ATOM 0 HA3 GLY B 22 -1.416 -6.528 -18.451 1.00 52.41 H new ATOM 828 N GLY B 23 -2.868 -8.116 -19.744 1.00 52.34 N ATOM 829 CA GLY B 23 -3.866 -8.837 -20.514 1.00 74.23 C ATOM 830 C GLY B 23 -5.281 -8.439 -20.091 1.00 2.21 C ATOM 831 O GLY B 23 -6.101 -8.065 -20.927 1.00 74.31 O ATOM 0 H GLY B 23 -2.982 -8.180 -18.732 1.00 52.34 H new ATOM 0 HA2 GLY B 23 -3.729 -8.631 -21.576 1.00 74.23 H new ATOM 0 HA3 GLY B 23 -3.730 -9.910 -20.377 1.00 74.23 H new ATOM 835 N GLY B 24 -5.522 -8.531 -18.791 1.00 72.12 N ATOM 836 CA GLY B 24 -6.824 -8.184 -18.246 1.00 34.03 C ATOM 837 C GLY B 24 -6.943 -6.674 -18.030 1.00 13.42 C ATOM 838 O GLY B 24 -6.272 -5.892 -18.702 1.00 53.00 O ATOM 0 H GLY B 24 -4.839 -8.840 -18.100 1.00 72.12 H new ATOM 0 HA2 GLY B 24 -7.608 -8.521 -18.925 1.00 34.03 H new ATOM 0 HA3 GLY B 24 -6.976 -8.703 -17.300 1.00 34.03 H new ATOM 842 N THR B 25 -7.802 -6.309 -17.088 1.00 3.12 N ATOM 843 CA THR B 25 -8.017 -4.907 -16.775 1.00 2.23 C ATOM 844 C THR B 25 -7.389 -4.559 -15.424 1.00 10.04 C ATOM 845 O THR B 25 -7.174 -5.439 -14.591 1.00 1.10 O ATOM 846 CB THR B 25 -9.522 -4.635 -16.835 1.00 1.15 C ATOM 847 OG1 THR B 25 -9.765 -4.327 -18.204 1.00 42.11 O ATOM 848 CG2 THR B 25 -9.916 -3.357 -16.089 1.00 63.54 C ATOM 0 H THR B 25 -8.356 -6.960 -16.532 1.00 3.12 H new ATOM 0 HA THR B 25 -7.526 -4.260 -17.501 1.00 2.23 H new ATOM 0 HB THR B 25 -10.061 -5.483 -16.413 1.00 1.15 H new ATOM 0 HG1 THR B 25 -10.718 -4.139 -18.333 1.00 42.11 H new ATOM 0 HG21 THR B 25 -10.994 -3.210 -16.162 1.00 63.54 H new ATOM 0 HG22 THR B 25 -9.632 -3.446 -15.040 1.00 63.54 H new ATOM 0 HG23 THR B 25 -9.403 -2.504 -16.533 1.00 63.54 H new ATOM 856 N LEU B 26 -7.114 -3.275 -15.248 1.00 34.42 N ATOM 857 CA LEU B 26 -6.516 -2.801 -14.012 1.00 31.14 C ATOM 858 C LEU B 26 -7.623 -2.434 -13.021 1.00 41.34 C ATOM 859 O LEU B 26 -8.099 -1.300 -13.009 1.00 22.21 O ATOM 860 CB LEU B 26 -5.539 -1.657 -14.293 1.00 23.43 C ATOM 861 CG LEU B 26 -4.326 -2.009 -15.157 1.00 62.02 C ATOM 862 CD1 LEU B 26 -3.425 -0.789 -15.359 1.00 53.13 C ATOM 863 CD2 LEU B 26 -3.560 -3.196 -14.569 1.00 53.05 C ATOM 0 H LEU B 26 -7.294 -2.548 -15.941 1.00 34.42 H new ATOM 0 HA LEU B 26 -5.923 -3.590 -13.550 1.00 31.14 H new ATOM 0 HB2 LEU B 26 -6.086 -0.850 -14.781 1.00 23.43 H new ATOM 0 HB3 LEU B 26 -5.181 -1.269 -13.340 1.00 23.43 H new ATOM 0 HG LEU B 26 -4.684 -2.312 -16.141 1.00 62.02 H new ATOM 0 HD11 LEU B 26 -2.570 -1.066 -15.976 1.00 53.13 H new ATOM 0 HD12 LEU B 26 -3.989 0.002 -15.854 1.00 53.13 H new ATOM 0 HD13 LEU B 26 -3.073 -0.432 -14.391 1.00 53.13 H new ATOM 0 HD21 LEU B 26 -2.703 -3.426 -15.202 1.00 53.05 H new ATOM 0 HD22 LEU B 26 -3.214 -2.945 -13.566 1.00 53.05 H new ATOM 0 HD23 LEU B 26 -4.217 -4.064 -14.519 1.00 53.05 H new ATOM 875 N VAL B 27 -8.001 -3.415 -12.215 1.00 43.20 N ATOM 876 CA VAL B 27 -9.043 -3.210 -11.225 1.00 14.13 C ATOM 877 C VAL B 27 -8.457 -2.470 -10.020 1.00 35.14 C ATOM 878 O VAL B 27 -7.254 -2.531 -9.775 1.00 4.31 O ATOM 879 CB VAL B 27 -9.682 -4.550 -10.850 1.00 40.22 C ATOM 880 CG1 VAL B 27 -10.263 -4.505 -9.436 1.00 4.44 C ATOM 881 CG2 VAL B 27 -10.750 -4.951 -11.870 1.00 20.34 C ATOM 0 H VAL B 27 -7.604 -4.354 -12.228 1.00 43.20 H new ATOM 0 HA VAL B 27 -9.840 -2.588 -11.633 1.00 14.13 H new ATOM 0 HB VAL B 27 -8.901 -5.310 -10.866 1.00 40.22 H new ATOM 0 HG11 VAL B 27 -10.710 -5.469 -9.196 1.00 4.44 H new ATOM 0 HG12 VAL B 27 -9.468 -4.286 -8.723 1.00 4.44 H new ATOM 0 HG13 VAL B 27 -11.025 -3.728 -9.380 1.00 4.44 H new ATOM 0 HG21 VAL B 27 -11.189 -5.906 -11.581 1.00 20.34 H new ATOM 0 HG22 VAL B 27 -11.528 -4.189 -11.901 1.00 20.34 H new ATOM 0 HG23 VAL B 27 -10.295 -5.044 -12.856 1.00 20.34 H new ATOM 891 N CYS B 28 -9.337 -1.788 -9.300 1.00 2.12 N ATOM 892 CA CYS B 28 -8.922 -1.037 -8.128 1.00 22.14 C ATOM 893 C CYS B 28 -10.175 -0.624 -7.353 1.00 32.14 C ATOM 894 O CYS B 28 -11.157 -0.180 -7.946 1.00 12.10 O ATOM 895 CB CYS B 28 -8.060 0.170 -8.504 1.00 20.11 C ATOM 896 SG CYS B 28 -8.963 1.529 -9.332 1.00 13.04 S ATOM 0 H CYS B 28 -10.335 -1.740 -9.506 1.00 2.12 H new ATOM 0 HA CYS B 28 -8.295 -1.665 -7.495 1.00 22.14 H new ATOM 0 HB2 CYS B 28 -7.593 0.561 -7.600 1.00 20.11 H new ATOM 0 HB3 CYS B 28 -7.256 -0.165 -9.159 1.00 20.11 H new ATOM 901 N CYS B 29 -10.101 -0.786 -6.040 1.00 64.22 N ATOM 902 CA CYS B 29 -11.217 -0.435 -5.179 1.00 21.42 C ATOM 903 C CYS B 29 -12.492 -1.034 -5.776 1.00 71.33 C ATOM 904 O CYS B 29 -13.379 -0.304 -6.214 1.00 13.22 O ATOM 905 CB CYS B 29 -11.332 1.078 -4.989 1.00 52.20 C ATOM 906 SG CYS B 29 -11.890 1.997 -6.471 1.00 60.10 S ATOM 0 H CYS B 29 -9.285 -1.156 -5.552 1.00 64.22 H new ATOM 0 HA CYS B 29 -11.054 -0.848 -4.183 1.00 21.42 H new ATOM 0 HB2 CYS B 29 -12.027 1.276 -4.173 1.00 52.20 H new ATOM 0 HB3 CYS B 29 -10.361 1.466 -4.682 1.00 52.20 H new ATOM 911 N GLY B 30 -12.542 -2.358 -5.774 1.00 75.53 N ATOM 912 CA GLY B 30 -13.693 -3.064 -6.312 1.00 12.24 C ATOM 913 C GLY B 30 -14.254 -2.344 -7.540 1.00 43.23 C ATOM 914 O GLY B 30 -15.458 -2.375 -7.786 1.00 71.25 O ATOM 0 H GLY B 30 -11.804 -2.960 -5.409 1.00 75.53 H new ATOM 0 HA2 GLY B 30 -13.407 -4.081 -6.581 1.00 12.24 H new ATOM 0 HA3 GLY B 30 -14.466 -3.142 -5.547 1.00 12.24 H new ATOM 918 N GLU B 31 -13.353 -1.714 -8.279 1.00 44.51 N ATOM 919 CA GLU B 31 -13.742 -0.987 -9.476 1.00 34.13 C ATOM 920 C GLU B 31 -12.748 -1.257 -10.607 1.00 44.31 C ATOM 921 O GLU B 31 -11.977 -2.214 -10.546 1.00 54.42 O ATOM 922 CB GLU B 31 -13.859 0.512 -9.194 1.00 51.31 C ATOM 923 CG GLU B 31 -15.298 0.995 -9.384 1.00 44.32 C ATOM 924 CD GLU B 31 -15.472 1.678 -10.743 1.00 4.12 C ATOM 925 OE1 GLU B 31 -14.675 2.557 -11.101 1.00 71.01 O ATOM 926 OE2 GLU B 31 -16.477 1.263 -11.437 1.00 24.13 O ATOM 0 H GLU B 31 -12.354 -1.692 -8.072 1.00 44.51 H new ATOM 0 HA GLU B 31 -14.724 -1.341 -9.790 1.00 34.13 H new ATOM 0 HB2 GLU B 31 -13.533 0.720 -8.175 1.00 51.31 H new ATOM 0 HB3 GLU B 31 -13.196 1.064 -9.860 1.00 51.31 H new ATOM 0 HG2 GLU B 31 -15.982 0.150 -9.307 1.00 44.32 H new ATOM 0 HG3 GLU B 31 -15.560 1.691 -8.587 1.00 44.32 H new ATOM 933 N ASP B 32 -12.796 -0.395 -11.613 1.00 12.31 N ATOM 934 CA ASP B 32 -11.910 -0.528 -12.756 1.00 25.02 C ATOM 935 C ASP B 32 -11.245 0.821 -13.039 1.00 51.21 C ATOM 936 O ASP B 32 -11.880 1.729 -13.573 1.00 71.34 O ATOM 937 CB ASP B 32 -12.683 -0.947 -14.007 1.00 55.25 C ATOM 938 CG ASP B 32 -14.026 -0.241 -14.203 1.00 74.20 C ATOM 939 OD1 ASP B 32 -15.060 -0.677 -13.672 1.00 0.52 O ATOM 940 OD2 ASP B 32 -13.986 0.812 -14.947 1.00 73.30 O ATOM 0 H ASP B 32 -13.435 0.398 -11.659 1.00 12.31 H new ATOM 0 HA ASP B 32 -11.167 -1.290 -12.520 1.00 25.02 H new ATOM 0 HB2 ASP B 32 -12.060 -0.759 -14.881 1.00 55.25 H new ATOM 0 HB3 ASP B 32 -12.857 -2.022 -13.965 1.00 55.25 H new ATOM 945 N MET B 33 -9.976 0.909 -12.670 1.00 61.42 N ATOM 946 CA MET B 33 -9.219 2.131 -12.878 1.00 23.10 C ATOM 947 C MET B 33 -9.446 2.683 -14.287 1.00 45.42 C ATOM 948 O MET B 33 -9.837 1.947 -15.191 1.00 71.12 O ATOM 949 CB MET B 33 -7.729 1.850 -12.674 1.00 60.31 C ATOM 950 CG MET B 33 -7.139 2.771 -11.603 1.00 61.03 C ATOM 951 SD MET B 33 -6.027 1.851 -10.552 1.00 73.14 S ATOM 952 CE MET B 33 -5.077 0.984 -11.789 1.00 63.22 C ATOM 0 H MET B 33 -9.453 0.153 -12.228 1.00 61.42 H new ATOM 0 HA MET B 33 -9.560 2.874 -12.157 1.00 23.10 H new ATOM 0 HB2 MET B 33 -7.588 0.809 -12.382 1.00 60.31 H new ATOM 0 HB3 MET B 33 -7.196 1.992 -13.614 1.00 60.31 H new ATOM 0 HG2 MET B 33 -6.607 3.597 -12.075 1.00 61.03 H new ATOM 0 HG3 MET B 33 -7.940 3.207 -11.006 1.00 61.03 H new ATOM 0 HE1 MET B 33 -4.193 0.544 -11.327 1.00 63.22 H new ATOM 0 HE2 MET B 33 -5.687 0.195 -12.229 1.00 63.22 H new ATOM 0 HE3 MET B 33 -4.770 1.682 -12.567 1.00 63.22 H new ATOM 962 N VAL B 34 -9.191 3.976 -14.430 1.00 64.02 N ATOM 963 CA VAL B 34 -9.362 4.635 -15.713 1.00 71.31 C ATOM 964 C VAL B 34 -7.988 4.951 -16.307 1.00 53.23 C ATOM 965 O VAL B 34 -6.982 4.930 -15.599 1.00 61.23 O ATOM 966 CB VAL B 34 -10.242 5.876 -15.550 1.00 22.21 C ATOM 967 CG1 VAL B 34 -10.766 6.358 -16.905 1.00 0.33 C ATOM 968 CG2 VAL B 34 -11.395 5.607 -14.581 1.00 34.00 C ATOM 0 H VAL B 34 -8.867 4.584 -13.678 1.00 64.02 H new ATOM 0 HA VAL B 34 -9.876 3.978 -16.414 1.00 71.31 H new ATOM 0 HB VAL B 34 -9.627 6.670 -15.127 1.00 22.21 H new ATOM 0 HG11 VAL B 34 -11.389 7.241 -16.761 1.00 0.33 H new ATOM 0 HG12 VAL B 34 -9.925 6.608 -17.552 1.00 0.33 H new ATOM 0 HG13 VAL B 34 -11.358 5.568 -17.368 1.00 0.33 H new ATOM 0 HG21 VAL B 34 -12.005 6.505 -14.483 1.00 34.00 H new ATOM 0 HG22 VAL B 34 -12.009 4.791 -14.963 1.00 34.00 H new ATOM 0 HG23 VAL B 34 -10.994 5.333 -13.605 1.00 34.00 H new ATOM 978 N LYS B 35 -7.989 5.237 -17.600 1.00 61.25 N ATOM 979 CA LYS B 35 -6.756 5.557 -18.298 1.00 70.42 C ATOM 980 C LYS B 35 -6.792 7.019 -18.744 1.00 43.34 C ATOM 981 O LYS B 35 -7.835 7.520 -19.161 1.00 11.24 O ATOM 982 CB LYS B 35 -6.516 4.571 -19.442 1.00 71.54 C ATOM 983 CG LYS B 35 -7.118 5.090 -20.750 1.00 53.12 C ATOM 984 CD LYS B 35 -6.078 5.864 -21.563 1.00 10.42 C ATOM 985 CE LYS B 35 -5.080 4.912 -22.224 1.00 5.53 C ATOM 986 NZ LYS B 35 -4.032 5.675 -22.940 1.00 74.04 N ATOM 0 H LYS B 35 -8.825 5.254 -18.183 1.00 61.25 H new ATOM 0 HA LYS B 35 -5.902 5.448 -17.630 1.00 70.42 H new ATOM 0 HB2 LYS B 35 -5.446 4.410 -19.569 1.00 71.54 H new ATOM 0 HB3 LYS B 35 -6.956 3.606 -19.193 1.00 71.54 H new ATOM 0 HG2 LYS B 35 -7.495 4.253 -21.338 1.00 53.12 H new ATOM 0 HG3 LYS B 35 -7.969 5.736 -20.532 1.00 53.12 H new ATOM 0 HD2 LYS B 35 -6.578 6.460 -22.327 1.00 10.42 H new ATOM 0 HD3 LYS B 35 -5.547 6.559 -20.913 1.00 10.42 H new ATOM 0 HE2 LYS B 35 -4.622 4.274 -21.468 1.00 5.53 H new ATOM 0 HE3 LYS B 35 -5.601 4.256 -22.921 1.00 5.53 H new ATOM 0 HZ1 LYS B 35 -3.182 5.084 -23.044 1.00 74.04 H new ATOM 0 HZ2 LYS B 35 -4.382 5.946 -23.881 1.00 74.04 H new ATOM 0 HZ3 LYS B 35 -3.795 6.531 -22.399 1.00 74.04 H new ATOM 999 N GLN B 36 -5.639 7.664 -18.644 1.00 4.23 N ATOM 1000 CA GLN B 36 -5.525 9.060 -19.032 1.00 22.52 C ATOM 1001 C GLN B 36 -5.310 9.175 -20.542 1.00 24.50 C ATOM 1002 O GLN B 36 -4.209 9.489 -20.994 1.00 53.33 O ATOM 1003 CB GLN B 36 -4.398 9.753 -18.263 1.00 1.30 C ATOM 1004 CG GLN B 36 -4.377 9.306 -16.800 1.00 30.32 C ATOM 1005 CD GLN B 36 -5.482 9.998 -16.000 1.00 23.23 C ATOM 1006 OE1 GLN B 36 -5.358 11.135 -15.575 1.00 21.01 O ATOM 1007 NE2 GLN B 36 -6.567 9.251 -15.819 1.00 32.32 N ATOM 0 H GLN B 36 -4.775 7.245 -18.300 1.00 4.23 H new ATOM 0 HA GLN B 36 -6.457 9.565 -18.778 1.00 22.52 H new ATOM 0 HB2 GLN B 36 -3.440 9.525 -18.730 1.00 1.30 H new ATOM 0 HB3 GLN B 36 -4.529 10.834 -18.315 1.00 1.30 H new ATOM 0 HG2 GLN B 36 -4.505 8.225 -16.744 1.00 30.32 H new ATOM 0 HG3 GLN B 36 -3.406 9.535 -16.360 1.00 30.32 H new ATOM 0 HE21 GLN B 36 -6.605 8.306 -16.202 1.00 32.32 H new ATOM 0 HE22 GLN B 36 -7.361 9.623 -15.297 1.00 32.32 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -2.768 -9.884 -15.045 1.00 32.23 ZN HETATM 1018 ZN ZN B 37 -10.367 2.734 -7.845 1.00 32.02 ZN