USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=12 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 Single : A 1 ALA N :NH3+ 168:sc=-0.00432 (180deg=-0.14) USER MOD Single : A 2 ASN : amide:sc= -9.52! C(o=-9.5!,f=-14!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -7.34! C(o=-7.3!,f=-13!) USER MOD Single : A 17 LYS NZ :NH3+ -99:sc= -0.0628 (180deg=-0.79) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 171:sc= -6.38! (180deg=-6.58!) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0.526 (180deg=0.18) USER MOD Single : A 36 GLN :FLIP amide:sc= -1.66 F(o=-3.3!,f=-1.7) USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN :FLIP amide:sc= -4.9! C(o=-6.1!,f=-4.9!) 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 14 GLN : amide:sc= -5.93! C(o=-5.9!,f=-7.2!) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl -162:sc= -2.44! (180deg=-2.96!) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN :FLIP amide:sc= -0.931 F(o=-1.8!,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.117 1.945 -1.502 1.00 50.14 N ATOM 2 CA ALA A 1 1.068 1.106 -1.541 1.00 73.23 C ATOM 3 C ALA A 1 2.315 1.991 -1.552 1.00 1.41 C ATOM 4 O ALA A 1 3.230 1.773 -2.346 1.00 40.30 O ATOM 5 CB ALA A 1 1.000 0.181 -2.758 1.00 54.54 C ATOM 0 H1 ALA A 1 -0.959 1.366 -1.698 1.00 50.14 H new ATOM 0 H2 ALA A 1 -0.206 2.377 -0.560 1.00 50.14 H new ATOM 0 H3 ALA A 1 -0.036 2.693 -2.220 1.00 50.14 H new ATOM 0 HA ALA A 1 1.119 0.475 -0.654 1.00 73.23 H new ATOM 0 HB1 ALA A 1 1.889 -0.448 -2.787 1.00 54.54 H new ATOM 0 HB2 ALA A 1 0.113 -0.448 -2.688 1.00 54.54 H new ATOM 0 HB3 ALA A 1 0.949 0.780 -3.668 1.00 54.54 H new ATOM 11 N ASN A 2 2.313 2.972 -0.661 1.00 72.14 N ATOM 12 CA ASN A 2 3.433 3.892 -0.558 1.00 1.41 C ATOM 13 C ASN A 2 3.923 4.252 -1.963 1.00 23.40 C ATOM 14 O ASN A 2 4.763 3.554 -2.528 1.00 22.30 O ATOM 15 CB ASN A 2 4.599 3.257 0.201 1.00 43.32 C ATOM 16 CG ASN A 2 4.986 1.911 -0.414 1.00 43.30 C ATOM 17 OD1 ASN A 2 5.903 1.804 -1.213 1.00 13.21 O ATOM 18 ND2 ASN A 2 4.239 0.892 0.001 1.00 12.24 N ATOM 0 H ASN A 2 1.553 3.150 -0.004 1.00 72.14 H new ATOM 0 HA ASN A 2 3.093 4.778 -0.022 1.00 1.41 H new ATOM 0 HB2 ASN A 2 5.457 3.929 0.184 1.00 43.32 H new ATOM 0 HB3 ASN A 2 4.324 3.117 1.246 1.00 43.32 H new ATOM 0 HD21 ASN A 2 4.418 -0.048 -0.351 1.00 12.24 H new ATOM 0 HD22 ASN A 2 3.487 1.051 0.671 1.00 12.24 H new ATOM 25 N GLU A 3 3.377 5.341 -2.484 1.00 61.53 N ATOM 26 CA GLU A 3 3.748 5.801 -3.812 1.00 65.31 C ATOM 27 C GLU A 3 5.234 5.537 -4.069 1.00 14.03 C ATOM 28 O GLU A 3 6.050 5.614 -3.152 1.00 31.35 O ATOM 29 CB GLU A 3 3.415 7.284 -3.991 1.00 24.42 C ATOM 30 CG GLU A 3 4.138 7.864 -5.208 1.00 51.43 C ATOM 31 CD GLU A 3 3.949 9.381 -5.285 1.00 1.34 C ATOM 32 OE1 GLU A 3 3.920 10.056 -4.245 1.00 33.12 O ATOM 33 OE2 GLU A 3 3.833 9.856 -6.479 1.00 30.02 O ATOM 0 H GLU A 3 2.681 5.918 -2.011 1.00 61.53 H new ATOM 0 HA GLU A 3 3.168 5.241 -4.545 1.00 65.31 H new ATOM 0 HB2 GLU A 3 2.339 7.407 -4.110 1.00 24.42 H new ATOM 0 HB3 GLU A 3 3.702 7.836 -3.096 1.00 24.42 H new ATOM 0 HG2 GLU A 3 5.201 7.629 -5.151 1.00 51.43 H new ATOM 0 HG3 GLU A 3 3.757 7.400 -6.118 1.00 51.43 H new ATOM 40 N GLY A 4 5.539 5.232 -5.321 1.00 44.45 N ATOM 41 CA GLY A 4 6.912 4.957 -5.711 1.00 44.21 C ATOM 42 C GLY A 4 7.178 3.451 -5.755 1.00 20.31 C ATOM 43 O GLY A 4 8.278 3.021 -6.098 1.00 3.21 O ATOM 0 H GLY A 4 4.859 5.169 -6.079 1.00 44.45 H new ATOM 0 HA2 GLY A 4 7.110 5.394 -6.690 1.00 44.21 H new ATOM 0 HA3 GLY A 4 7.596 5.430 -5.006 1.00 44.21 H new ATOM 47 N ASP A 5 6.151 2.691 -5.403 1.00 41.35 N ATOM 48 CA ASP A 5 6.260 1.242 -5.399 1.00 10.11 C ATOM 49 C ASP A 5 5.745 0.691 -6.730 1.00 3.43 C ATOM 50 O ASP A 5 4.949 1.340 -7.407 1.00 64.22 O ATOM 51 CB ASP A 5 5.419 0.630 -4.276 1.00 75.04 C ATOM 52 CG ASP A 5 6.219 0.065 -3.103 1.00 12.24 C ATOM 53 OD1 ASP A 5 7.428 0.312 -2.976 1.00 21.51 O ATOM 54 OD2 ASP A 5 5.542 -0.667 -2.283 1.00 2.44 O ATOM 0 H ASP A 5 5.240 3.051 -5.119 1.00 41.35 H new ATOM 0 HA ASP A 5 7.308 0.983 -5.247 1.00 10.11 H new ATOM 0 HB2 ASP A 5 4.737 1.391 -3.898 1.00 75.04 H new ATOM 0 HB3 ASP A 5 4.806 -0.168 -4.695 1.00 75.04 H new ATOM 59 N VAL A 6 6.222 -0.499 -7.065 1.00 53.34 N ATOM 60 CA VAL A 6 5.819 -1.144 -8.304 1.00 41.53 C ATOM 61 C VAL A 6 5.110 -2.461 -7.981 1.00 45.31 C ATOM 62 O VAL A 6 5.499 -3.166 -7.051 1.00 34.41 O ATOM 63 CB VAL A 6 7.033 -1.326 -9.218 1.00 13.25 C ATOM 64 CG1 VAL A 6 6.748 -2.359 -10.308 1.00 70.42 C ATOM 65 CG2 VAL A 6 7.466 0.010 -9.827 1.00 30.33 C ATOM 0 H VAL A 6 6.883 -1.033 -6.501 1.00 53.34 H new ATOM 0 HA VAL A 6 5.111 -0.519 -8.848 1.00 41.53 H new ATOM 0 HB VAL A 6 7.857 -1.700 -8.610 1.00 13.25 H new ATOM 0 HG11 VAL A 6 7.627 -2.469 -10.944 1.00 70.42 H new ATOM 0 HG12 VAL A 6 6.511 -3.318 -9.847 1.00 70.42 H new ATOM 0 HG13 VAL A 6 5.903 -2.027 -10.912 1.00 70.42 H new ATOM 0 HG21 VAL A 6 8.330 -0.147 -10.472 1.00 30.33 H new ATOM 0 HG22 VAL A 6 6.646 0.425 -10.413 1.00 30.33 H new ATOM 0 HG23 VAL A 6 7.730 0.705 -9.030 1.00 30.33 H new ATOM 75 N TYR A 7 4.085 -2.753 -8.768 1.00 45.22 N ATOM 76 CA TYR A 7 3.319 -3.973 -8.578 1.00 24.24 C ATOM 77 C TYR A 7 3.141 -4.720 -9.900 1.00 52.54 C ATOM 78 O TYR A 7 2.823 -4.113 -10.922 1.00 74.24 O ATOM 79 CB TYR A 7 1.947 -3.534 -8.064 1.00 1.21 C ATOM 80 CG TYR A 7 1.837 -3.494 -6.539 1.00 60.41 C ATOM 81 CD1 TYR A 7 2.626 -2.626 -5.811 1.00 52.23 C ATOM 82 CD2 TYR A 7 0.948 -4.328 -5.889 1.00 50.41 C ATOM 83 CE1 TYR A 7 2.522 -2.589 -4.376 1.00 15.23 C ATOM 84 CE2 TYR A 7 0.845 -4.290 -4.453 1.00 34.30 C ATOM 85 CZ TYR A 7 1.636 -3.423 -3.767 1.00 65.33 C ATOM 86 OH TYR A 7 1.538 -3.388 -2.411 1.00 65.01 O ATOM 0 H TYR A 7 3.767 -2.166 -9.539 1.00 45.22 H new ATOM 0 HA TYR A 7 3.829 -4.643 -7.886 1.00 24.24 H new ATOM 0 HB2 TYR A 7 1.722 -2.544 -8.460 1.00 1.21 H new ATOM 0 HB3 TYR A 7 1.190 -4.213 -8.455 1.00 1.21 H new ATOM 0 HD1 TYR A 7 3.322 -1.974 -6.319 1.00 52.23 H new ATOM 0 HD2 TYR A 7 0.331 -5.008 -6.457 1.00 50.41 H new ATOM 0 HE1 TYR A 7 3.134 -1.914 -3.795 1.00 15.23 H new ATOM 0 HE2 TYR A 7 0.154 -4.936 -3.932 1.00 34.30 H new ATOM 0 HH TYR A 7 0.865 -4.036 -2.115 1.00 65.01 H new ATOM 96 N LYS A 8 3.353 -6.026 -9.840 1.00 5.22 N ATOM 97 CA LYS A 8 3.220 -6.862 -11.020 1.00 41.12 C ATOM 98 C LYS A 8 1.983 -7.751 -10.873 1.00 1.23 C ATOM 99 O LYS A 8 1.433 -7.879 -9.780 1.00 22.10 O ATOM 100 CB LYS A 8 4.511 -7.643 -11.272 1.00 70.24 C ATOM 101 CG LYS A 8 4.621 -8.062 -12.740 1.00 40.41 C ATOM 102 CD LYS A 8 6.018 -8.600 -13.054 1.00 42.45 C ATOM 103 CE LYS A 8 5.973 -10.097 -13.362 1.00 23.34 C ATOM 104 NZ LYS A 8 7.294 -10.569 -13.836 1.00 63.22 N ATOM 0 H LYS A 8 3.616 -6.526 -8.991 1.00 5.22 H new ATOM 0 HA LYS A 8 3.068 -6.247 -11.907 1.00 41.12 H new ATOM 0 HB2 LYS A 8 5.370 -7.030 -11.000 1.00 70.24 H new ATOM 0 HB3 LYS A 8 4.536 -8.527 -10.635 1.00 70.24 H new ATOM 0 HG2 LYS A 8 3.875 -8.826 -12.961 1.00 40.41 H new ATOM 0 HG3 LYS A 8 4.403 -7.209 -13.383 1.00 40.41 H new ATOM 0 HD2 LYS A 8 6.436 -8.062 -13.905 1.00 42.45 H new ATOM 0 HD3 LYS A 8 6.680 -8.419 -12.207 1.00 42.45 H new ATOM 0 HE2 LYS A 8 5.682 -10.649 -12.469 1.00 23.34 H new ATOM 0 HE3 LYS A 8 5.216 -10.296 -14.120 1.00 23.34 H new ATOM 0 HZ1 LYS A 8 7.246 -11.588 -14.041 1.00 63.22 H new ATOM 0 HZ2 LYS A 8 7.557 -10.054 -14.701 1.00 63.22 H new ATOM 0 HZ3 LYS A 8 8.009 -10.397 -13.100 1.00 63.22 H new ATOM 117 N CYS A 9 1.581 -8.340 -11.990 1.00 25.51 N ATOM 118 CA CYS A 9 0.420 -9.213 -11.999 1.00 72.40 C ATOM 119 C CYS A 9 0.871 -10.617 -11.590 1.00 74.20 C ATOM 120 O CYS A 9 0.083 -11.393 -11.051 1.00 53.21 O ATOM 121 CB CYS A 9 -0.278 -9.212 -13.360 1.00 4.13 C ATOM 122 SG CYS A 9 -1.732 -10.318 -13.479 1.00 34.22 S ATOM 0 H CYS A 9 2.039 -8.230 -12.895 1.00 25.51 H new ATOM 0 HA CYS A 9 -0.318 -8.847 -11.285 1.00 72.40 H new ATOM 0 HB2 CYS A 9 -0.594 -8.194 -13.590 1.00 4.13 H new ATOM 0 HB3 CYS A 9 0.444 -9.502 -14.123 1.00 4.13 H new ATOM 127 N GLU A 10 2.135 -10.900 -11.861 1.00 62.53 N ATOM 128 CA GLU A 10 2.701 -12.198 -11.528 1.00 15.21 C ATOM 129 C GLU A 10 2.026 -13.297 -12.351 1.00 43.01 C ATOM 130 O GLU A 10 2.242 -14.483 -12.105 1.00 12.05 O ATOM 131 CB GLU A 10 2.576 -12.481 -10.030 1.00 4.23 C ATOM 132 CG GLU A 10 3.717 -11.822 -9.251 1.00 53.53 C ATOM 133 CD GLU A 10 4.928 -12.753 -9.157 1.00 55.41 C ATOM 134 OE1 GLU A 10 5.040 -13.704 -9.944 1.00 60.42 O ATOM 135 OE2 GLU A 10 5.771 -12.458 -8.226 1.00 74.14 O ATOM 0 H GLU A 10 2.785 -10.253 -12.308 1.00 62.53 H new ATOM 0 HA GLU A 10 3.762 -12.185 -11.775 1.00 15.21 H new ATOM 0 HB2 GLU A 10 1.619 -12.109 -9.664 1.00 4.23 H new ATOM 0 HB3 GLU A 10 2.587 -13.557 -9.857 1.00 4.23 H new ATOM 0 HG2 GLU A 10 4.006 -10.892 -9.740 1.00 53.53 H new ATOM 0 HG3 GLU A 10 3.375 -11.562 -8.249 1.00 53.53 H new ATOM 142 N LEU A 11 1.224 -12.864 -13.313 1.00 21.52 N ATOM 143 CA LEU A 11 0.518 -13.798 -14.174 1.00 0.31 C ATOM 144 C LEU A 11 0.751 -13.412 -15.636 1.00 50.03 C ATOM 145 O LEU A 11 1.659 -13.933 -16.283 1.00 21.33 O ATOM 146 CB LEU A 11 -0.960 -13.870 -13.786 1.00 20.42 C ATOM 147 CG LEU A 11 -1.277 -14.622 -12.492 1.00 20.44 C ATOM 148 CD1 LEU A 11 -2.783 -14.635 -12.220 1.00 23.54 C ATOM 149 CD2 LEU A 11 -0.687 -16.033 -12.518 1.00 33.34 C ATOM 0 H LEU A 11 1.048 -11.880 -13.515 1.00 21.52 H new ATOM 0 HA LEU A 11 0.909 -14.807 -14.044 1.00 0.31 H new ATOM 0 HB2 LEU A 11 -1.341 -12.853 -13.695 1.00 20.42 H new ATOM 0 HB3 LEU A 11 -1.507 -14.343 -14.601 1.00 20.42 H new ATOM 0 HG LEU A 11 -0.805 -14.092 -11.665 1.00 20.44 H new ATOM 0 HD11 LEU A 11 -2.981 -15.176 -11.295 1.00 23.54 H new ATOM 0 HD12 LEU A 11 -3.145 -13.611 -12.126 1.00 23.54 H new ATOM 0 HD13 LEU A 11 -3.298 -15.128 -13.045 1.00 23.54 H new ATOM 0 HD21 LEU A 11 -0.927 -16.545 -11.586 1.00 33.34 H new ATOM 0 HD22 LEU A 11 -1.108 -16.588 -13.356 1.00 33.34 H new ATOM 0 HD23 LEU A 11 0.396 -15.973 -12.630 1.00 33.34 H new ATOM 161 N CYS A 12 -0.084 -12.502 -16.116 1.00 32.05 N ATOM 162 CA CYS A 12 0.020 -12.041 -17.490 1.00 35.02 C ATOM 163 C CYS A 12 1.416 -11.452 -17.695 1.00 1.32 C ATOM 164 O CYS A 12 1.966 -11.515 -18.793 1.00 64.31 O ATOM 165 CB CYS A 12 -1.081 -11.035 -17.833 1.00 52.33 C ATOM 166 SG CYS A 12 -1.022 -9.477 -16.876 1.00 5.22 S ATOM 0 H CYS A 12 -0.836 -12.071 -15.578 1.00 32.05 H new ATOM 0 HA CYS A 12 -0.121 -12.881 -18.170 1.00 35.02 H new ATOM 0 HB2 CYS A 12 -1.017 -10.796 -18.894 1.00 52.33 H new ATOM 0 HB3 CYS A 12 -2.049 -11.508 -17.671 1.00 52.33 H new ATOM 171 N GLY A 13 1.950 -10.891 -16.620 1.00 12.44 N ATOM 172 CA GLY A 13 3.272 -10.290 -16.667 1.00 50.34 C ATOM 173 C GLY A 13 3.179 -8.772 -16.839 1.00 62.30 C ATOM 174 O GLY A 13 4.004 -8.171 -17.526 1.00 11.24 O ATOM 0 H GLY A 13 1.491 -10.840 -15.711 1.00 12.44 H new ATOM 0 HA2 GLY A 13 3.814 -10.523 -15.751 1.00 50.34 H new ATOM 0 HA3 GLY A 13 3.841 -10.719 -17.492 1.00 50.34 H new ATOM 178 N GLN A 14 2.168 -8.197 -16.205 1.00 31.53 N ATOM 179 CA GLN A 14 1.957 -6.762 -16.280 1.00 30.35 C ATOM 180 C GLN A 14 2.575 -6.070 -15.062 1.00 34.24 C ATOM 181 O GLN A 14 2.393 -6.518 -13.931 1.00 32.12 O ATOM 182 CB GLN A 14 0.468 -6.433 -16.399 1.00 54.44 C ATOM 183 CG GLN A 14 0.247 -4.922 -16.501 1.00 13.21 C ATOM 184 CD GLN A 14 -0.763 -4.444 -15.454 1.00 64.12 C ATOM 185 OE1 GLN A 14 -0.427 -3.774 -14.492 1.00 53.42 O ATOM 186 NE2 GLN A 14 -2.014 -4.827 -15.696 1.00 21.05 N ATOM 0 H GLN A 14 1.486 -8.699 -15.637 1.00 31.53 H new ATOM 0 HA GLN A 14 2.452 -6.388 -17.176 1.00 30.35 H new ATOM 0 HB2 GLN A 14 0.052 -6.925 -17.278 1.00 54.44 H new ATOM 0 HB3 GLN A 14 -0.065 -6.825 -15.533 1.00 54.44 H new ATOM 0 HG2 GLN A 14 1.195 -4.402 -16.362 1.00 13.21 H new ATOM 0 HG3 GLN A 14 -0.111 -4.670 -17.499 1.00 13.21 H new ATOM 0 HE21 GLN A 14 -2.225 -5.388 -16.522 1.00 21.05 H new ATOM 0 HE22 GLN A 14 -2.762 -4.560 -15.056 1.00 21.05 H new ATOM 195 N VAL A 15 3.292 -4.992 -15.335 1.00 43.23 N ATOM 196 CA VAL A 15 3.938 -4.234 -14.277 1.00 33.41 C ATOM 197 C VAL A 15 3.402 -2.801 -14.280 1.00 71.45 C ATOM 198 O VAL A 15 3.250 -2.194 -15.340 1.00 25.54 O ATOM 199 CB VAL A 15 5.458 -4.303 -14.436 1.00 30.44 C ATOM 200 CG1 VAL A 15 6.163 -3.552 -13.304 1.00 12.13 C ATOM 201 CG2 VAL A 15 5.936 -5.755 -14.511 1.00 12.34 C ATOM 0 H VAL A 15 3.441 -4.624 -16.275 1.00 43.23 H new ATOM 0 HA VAL A 15 3.706 -4.666 -13.303 1.00 33.41 H new ATOM 0 HB VAL A 15 5.719 -3.815 -15.375 1.00 30.44 H new ATOM 0 HG11 VAL A 15 7.242 -3.617 -13.441 1.00 12.13 H new ATOM 0 HG12 VAL A 15 5.858 -2.506 -13.316 1.00 12.13 H new ATOM 0 HG13 VAL A 15 5.892 -3.998 -12.347 1.00 12.13 H new ATOM 0 HG21 VAL A 15 7.020 -5.776 -14.624 1.00 12.34 H new ATOM 0 HG22 VAL A 15 5.656 -6.278 -13.596 1.00 12.34 H new ATOM 0 HG23 VAL A 15 5.473 -6.247 -15.366 1.00 12.34 H new ATOM 211 N VAL A 16 3.129 -2.302 -13.084 1.00 73.42 N ATOM 212 CA VAL A 16 2.613 -0.952 -12.936 1.00 54.14 C ATOM 213 C VAL A 16 3.252 -0.296 -11.711 1.00 22.44 C ATOM 214 O VAL A 16 3.819 -0.982 -10.861 1.00 64.24 O ATOM 215 CB VAL A 16 1.085 -0.980 -12.869 1.00 73.04 C ATOM 216 CG1 VAL A 16 0.482 -1.332 -14.231 1.00 22.41 C ATOM 217 CG2 VAL A 16 0.601 -1.950 -11.789 1.00 50.34 C ATOM 0 H VAL A 16 3.255 -2.809 -12.208 1.00 73.42 H new ATOM 0 HA VAL A 16 2.877 -0.347 -13.803 1.00 54.14 H new ATOM 0 HB VAL A 16 0.744 0.020 -12.600 1.00 73.04 H new ATOM 0 HG11 VAL A 16 -0.605 -1.345 -14.155 1.00 22.41 H new ATOM 0 HG12 VAL A 16 0.786 -0.587 -14.967 1.00 22.41 H new ATOM 0 HG13 VAL A 16 0.836 -2.315 -14.542 1.00 22.41 H new ATOM 0 HG21 VAL A 16 -0.489 -1.951 -11.762 1.00 50.34 H new ATOM 0 HG22 VAL A 16 0.959 -2.954 -12.015 1.00 50.34 H new ATOM 0 HG23 VAL A 16 0.987 -1.637 -10.819 1.00 50.34 H new ATOM 227 N LYS A 17 3.141 1.023 -11.658 1.00 61.00 N ATOM 228 CA LYS A 17 3.702 1.777 -10.550 1.00 55.11 C ATOM 229 C LYS A 17 2.566 2.413 -9.746 1.00 31.05 C ATOM 230 O LYS A 17 1.428 2.471 -10.210 1.00 1.14 O ATOM 231 CB LYS A 17 4.735 2.786 -11.058 1.00 14.30 C ATOM 232 CG LYS A 17 5.278 3.639 -9.910 1.00 40.12 C ATOM 233 CD LYS A 17 6.367 4.593 -10.404 1.00 23.45 C ATOM 234 CE LYS A 17 7.760 4.044 -10.087 1.00 50.32 C ATOM 235 NZ LYS A 17 8.487 4.966 -9.185 1.00 32.14 N ATOM 0 H LYS A 17 2.671 1.589 -12.364 1.00 61.00 H new ATOM 0 HA LYS A 17 4.242 1.115 -9.873 1.00 55.11 H new ATOM 0 HB2 LYS A 17 5.556 2.258 -11.544 1.00 14.30 H new ATOM 0 HB3 LYS A 17 4.280 3.430 -11.811 1.00 14.30 H new ATOM 0 HG2 LYS A 17 4.466 4.210 -9.461 1.00 40.12 H new ATOM 0 HG3 LYS A 17 5.682 2.992 -9.131 1.00 40.12 H new ATOM 0 HD2 LYS A 17 6.266 4.741 -11.479 1.00 23.45 H new ATOM 0 HD3 LYS A 17 6.241 5.569 -9.935 1.00 23.45 H new ATOM 0 HE2 LYS A 17 7.673 3.063 -9.621 1.00 50.32 H new ATOM 0 HE3 LYS A 17 8.323 3.910 -11.010 1.00 50.32 H new ATOM 0 HZ1 LYS A 17 9.137 5.556 -9.742 1.00 32.14 H new ATOM 0 HZ2 LYS A 17 7.806 5.575 -8.689 1.00 32.14 H new ATOM 0 HZ3 LYS A 17 9.029 4.415 -8.489 1.00 32.14 H new ATOM 248 N VAL A 18 2.915 2.873 -8.553 1.00 74.44 N ATOM 249 CA VAL A 18 1.939 3.502 -7.679 1.00 22.22 C ATOM 250 C VAL A 18 2.233 5.000 -7.588 1.00 3.51 C ATOM 251 O VAL A 18 2.939 5.445 -6.682 1.00 75.45 O ATOM 252 CB VAL A 18 1.935 2.809 -6.315 1.00 4.44 C ATOM 253 CG1 VAL A 18 1.052 3.564 -5.318 1.00 44.15 C ATOM 254 CG2 VAL A 18 1.494 1.350 -6.442 1.00 21.52 C ATOM 0 H VAL A 18 3.860 2.823 -8.171 1.00 74.44 H new ATOM 0 HA VAL A 18 0.934 3.393 -8.087 1.00 22.22 H new ATOM 0 HB VAL A 18 2.956 2.818 -5.932 1.00 4.44 H new ATOM 0 HG11 VAL A 18 1.067 3.050 -4.357 1.00 44.15 H new ATOM 0 HG12 VAL A 18 1.430 4.579 -5.193 1.00 44.15 H new ATOM 0 HG13 VAL A 18 0.029 3.602 -5.693 1.00 44.15 H new ATOM 0 HG21 VAL A 18 1.500 0.881 -5.458 1.00 21.52 H new ATOM 0 HG22 VAL A 18 0.487 1.309 -6.857 1.00 21.52 H new ATOM 0 HG23 VAL A 18 2.180 0.819 -7.101 1.00 21.52 H new ATOM 264 N LEU A 19 1.678 5.739 -8.538 1.00 25.41 N ATOM 265 CA LEU A 19 1.873 7.178 -8.576 1.00 21.24 C ATOM 266 C LEU A 19 1.189 7.813 -7.363 1.00 0.10 C ATOM 267 O LEU A 19 1.745 8.712 -6.732 1.00 63.12 O ATOM 268 CB LEU A 19 1.401 7.747 -9.916 1.00 1.15 C ATOM 269 CG LEU A 19 2.492 8.322 -10.821 1.00 51.10 C ATOM 270 CD1 LEU A 19 2.834 7.350 -11.953 1.00 11.54 C ATOM 271 CD2 LEU A 19 2.095 9.701 -11.351 1.00 74.02 C ATOM 0 H LEU A 19 1.093 5.368 -9.287 1.00 25.41 H new ATOM 0 HA LEU A 19 2.933 7.421 -8.508 1.00 21.24 H new ATOM 0 HB2 LEU A 19 0.883 6.958 -10.461 1.00 1.15 H new ATOM 0 HB3 LEU A 19 0.670 8.531 -9.718 1.00 1.15 H new ATOM 0 HG LEU A 19 3.395 8.454 -10.225 1.00 51.10 H new ATOM 0 HD11 LEU A 19 3.612 7.783 -12.582 1.00 11.54 H new ATOM 0 HD12 LEU A 19 3.190 6.410 -11.531 1.00 11.54 H new ATOM 0 HD13 LEU A 19 1.944 7.164 -12.554 1.00 11.54 H new ATOM 0 HD21 LEU A 19 2.888 10.087 -11.991 1.00 74.02 H new ATOM 0 HD22 LEU A 19 1.173 9.618 -11.926 1.00 74.02 H new ATOM 0 HD23 LEU A 19 1.941 10.382 -10.514 1.00 74.02 H new ATOM 283 N GLU A 20 -0.006 7.321 -7.073 1.00 54.15 N ATOM 284 CA GLU A 20 -0.772 7.829 -5.948 1.00 4.24 C ATOM 285 C GLU A 20 -1.499 6.685 -5.241 1.00 30.35 C ATOM 286 O GLU A 20 -2.333 6.009 -5.842 1.00 25.43 O ATOM 287 CB GLU A 20 -1.757 8.910 -6.397 1.00 41.43 C ATOM 288 CG GLU A 20 -1.064 10.270 -6.513 1.00 13.25 C ATOM 289 CD GLU A 20 -1.135 10.800 -7.946 1.00 51.31 C ATOM 290 OE1 GLU A 20 -0.521 10.221 -8.853 1.00 60.51 O ATOM 291 OE2 GLU A 20 -1.861 11.855 -8.102 1.00 0.52 O ATOM 0 H GLU A 20 -0.463 6.575 -7.598 1.00 54.15 H new ATOM 0 HA GLU A 20 -0.080 8.286 -5.241 1.00 4.24 H new ATOM 0 HB2 GLU A 20 -2.190 8.635 -7.359 1.00 41.43 H new ATOM 0 HB3 GLU A 20 -2.579 8.976 -5.684 1.00 41.43 H new ATOM 0 HG2 GLU A 20 -1.535 10.981 -5.834 1.00 13.25 H new ATOM 0 HG3 GLU A 20 -0.022 10.179 -6.206 1.00 13.25 H new ATOM 298 N GLU A 21 -1.158 6.502 -3.973 1.00 1.21 N ATOM 299 CA GLU A 21 -1.768 5.451 -3.177 1.00 62.51 C ATOM 300 C GLU A 21 -3.280 5.418 -3.410 1.00 2.44 C ATOM 301 O GLU A 21 -3.862 6.400 -3.870 1.00 21.40 O ATOM 302 CB GLU A 21 -1.445 5.630 -1.692 1.00 75.41 C ATOM 303 CG GLU A 21 0.065 5.607 -1.452 1.00 64.02 C ATOM 304 CD GLU A 21 0.450 6.525 -0.290 1.00 73.21 C ATOM 305 OE1 GLU A 21 0.203 6.183 0.876 1.00 2.44 O ATOM 306 OE2 GLU A 21 1.025 7.627 -0.632 1.00 42.25 O ATOM 0 H GLU A 21 -0.466 7.065 -3.478 1.00 1.21 H new ATOM 0 HA GLU A 21 -1.351 4.495 -3.493 1.00 62.51 H new ATOM 0 HB2 GLU A 21 -1.859 6.574 -1.338 1.00 75.41 H new ATOM 0 HB3 GLU A 21 -1.921 4.837 -1.115 1.00 75.41 H new ATOM 0 HG2 GLU A 21 0.387 4.588 -1.237 1.00 64.02 H new ATOM 0 HG3 GLU A 21 0.585 5.922 -2.357 1.00 64.02 H new ATOM 313 N GLY A 22 -3.873 4.280 -3.082 1.00 2.20 N ATOM 314 CA GLY A 22 -5.306 4.107 -3.249 1.00 4.12 C ATOM 315 C GLY A 22 -5.907 3.342 -2.069 1.00 32.31 C ATOM 316 O GLY A 22 -5.179 2.847 -1.210 1.00 30.40 O ATOM 0 H GLY A 22 -3.387 3.468 -2.701 1.00 2.20 H new ATOM 0 HA2 GLY A 22 -5.786 5.082 -3.337 1.00 4.12 H new ATOM 0 HA3 GLY A 22 -5.505 3.569 -4.176 1.00 4.12 H new ATOM 320 N GLY A 23 -7.230 3.267 -2.065 1.00 51.43 N ATOM 321 CA GLY A 23 -7.938 2.571 -1.005 1.00 22.23 C ATOM 322 C GLY A 23 -8.135 1.094 -1.356 1.00 22.13 C ATOM 323 O GLY A 23 -7.877 0.217 -0.533 1.00 33.33 O ATOM 0 H GLY A 23 -7.830 3.677 -2.780 1.00 51.43 H new ATOM 0 HA2 GLY A 23 -7.379 2.656 -0.073 1.00 22.23 H new ATOM 0 HA3 GLY A 23 -8.907 3.042 -0.840 1.00 22.23 H new ATOM 327 N GLY A 24 -8.589 0.865 -2.580 1.00 34.13 N ATOM 328 CA GLY A 24 -8.824 -0.490 -3.049 1.00 25.35 C ATOM 329 C GLY A 24 -7.509 -1.172 -3.431 1.00 33.30 C ATOM 330 O GLY A 24 -6.447 -0.554 -3.383 1.00 70.13 O ATOM 0 H GLY A 24 -8.800 1.595 -3.261 1.00 34.13 H new ATOM 0 HA2 GLY A 24 -9.325 -1.067 -2.271 1.00 25.35 H new ATOM 0 HA3 GLY A 24 -9.492 -0.470 -3.910 1.00 25.35 H new ATOM 334 N THR A 25 -7.623 -2.440 -3.800 1.00 61.15 N ATOM 335 CA THR A 25 -6.456 -3.213 -4.190 1.00 72.04 C ATOM 336 C THR A 25 -6.415 -3.387 -5.710 1.00 11.34 C ATOM 337 O THR A 25 -7.457 -3.502 -6.354 1.00 30.34 O ATOM 338 CB THR A 25 -6.492 -4.539 -3.429 1.00 32.13 C ATOM 339 OG1 THR A 25 -6.031 -4.203 -2.123 1.00 41.41 O ATOM 340 CG2 THR A 25 -5.456 -5.540 -3.944 1.00 2.41 C ATOM 0 H THR A 25 -8.505 -2.951 -3.837 1.00 61.15 H new ATOM 0 HA THR A 25 -5.533 -2.695 -3.928 1.00 72.04 H new ATOM 0 HB THR A 25 -7.488 -4.975 -3.509 1.00 32.13 H new ATOM 0 HG1 THR A 25 -6.024 -5.006 -1.562 1.00 41.41 H new ATOM 0 HG21 THR A 25 -5.525 -6.463 -3.369 1.00 2.41 H new ATOM 0 HG22 THR A 25 -5.647 -5.752 -4.996 1.00 2.41 H new ATOM 0 HG23 THR A 25 -4.457 -5.118 -3.835 1.00 2.41 H new ATOM 348 N LEU A 26 -5.201 -3.399 -6.240 1.00 25.44 N ATOM 349 CA LEU A 26 -5.010 -3.556 -7.672 1.00 21.53 C ATOM 350 C LEU A 26 -5.179 -5.030 -8.045 1.00 64.43 C ATOM 351 O LEU A 26 -4.485 -5.894 -7.509 1.00 73.34 O ATOM 352 CB LEU A 26 -3.666 -2.964 -8.102 1.00 15.21 C ATOM 353 CG LEU A 26 -3.274 -1.642 -7.439 1.00 14.45 C ATOM 354 CD1 LEU A 26 -1.780 -1.361 -7.615 1.00 54.33 C ATOM 355 CD2 LEU A 26 -4.138 -0.491 -7.958 1.00 10.11 C ATOM 0 H LEU A 26 -4.339 -3.302 -5.703 1.00 25.44 H new ATOM 0 HA LEU A 26 -5.768 -2.998 -8.221 1.00 21.53 H new ATOM 0 HB2 LEU A 26 -2.886 -3.697 -7.896 1.00 15.21 H new ATOM 0 HB3 LEU A 26 -3.686 -2.815 -9.182 1.00 15.21 H new ATOM 0 HG LEU A 26 -3.461 -1.729 -6.369 1.00 14.45 H new ATOM 0 HD11 LEU A 26 -1.529 -0.416 -7.134 1.00 54.33 H new ATOM 0 HD12 LEU A 26 -1.202 -2.165 -7.159 1.00 54.33 H new ATOM 0 HD13 LEU A 26 -1.544 -1.302 -8.677 1.00 54.33 H new ATOM 0 HD21 LEU A 26 -3.839 0.437 -7.471 1.00 10.11 H new ATOM 0 HD22 LEU A 26 -4.006 -0.394 -9.036 1.00 10.11 H new ATOM 0 HD23 LEU A 26 -5.186 -0.695 -7.738 1.00 10.11 H new ATOM 367 N VAL A 27 -6.104 -5.273 -8.961 1.00 75.00 N ATOM 368 CA VAL A 27 -6.374 -6.628 -9.412 1.00 72.04 C ATOM 369 C VAL A 27 -6.088 -6.727 -10.913 1.00 14.43 C ATOM 370 O VAL A 27 -6.316 -5.774 -11.655 1.00 41.15 O ATOM 371 CB VAL A 27 -7.806 -7.026 -9.049 1.00 61.11 C ATOM 372 CG1 VAL A 27 -8.214 -8.317 -9.762 1.00 43.51 C ATOM 373 CG2 VAL A 27 -7.970 -7.161 -7.534 1.00 24.01 C ATOM 0 H VAL A 27 -6.677 -4.554 -9.404 1.00 75.00 H new ATOM 0 HA VAL A 27 -5.717 -7.336 -8.907 1.00 72.04 H new ATOM 0 HB VAL A 27 -8.471 -6.232 -9.388 1.00 61.11 H new ATOM 0 HG11 VAL A 27 -9.236 -8.577 -9.487 1.00 43.51 H new ATOM 0 HG12 VAL A 27 -8.155 -8.171 -10.841 1.00 43.51 H new ATOM 0 HG13 VAL A 27 -7.542 -9.123 -9.467 1.00 43.51 H new ATOM 0 HG21 VAL A 27 -8.997 -7.445 -7.303 1.00 24.01 H new ATOM 0 HG22 VAL A 27 -7.289 -7.927 -7.161 1.00 24.01 H new ATOM 0 HG23 VAL A 27 -7.741 -6.208 -7.057 1.00 24.01 H new ATOM 383 N CYS A 28 -5.594 -7.890 -11.313 1.00 1.31 N ATOM 384 CA CYS A 28 -5.274 -8.125 -12.710 1.00 51.04 C ATOM 385 C CYS A 28 -5.465 -9.615 -13.002 1.00 22.24 C ATOM 386 O CYS A 28 -4.950 -10.464 -12.275 1.00 55.33 O ATOM 387 CB CYS A 28 -3.861 -7.653 -13.056 1.00 41.53 C ATOM 388 SG CYS A 28 -3.504 -7.543 -14.848 1.00 30.33 S ATOM 0 H CYS A 28 -5.408 -8.679 -10.694 1.00 1.31 H new ATOM 0 HA CYS A 28 -5.945 -7.542 -13.341 1.00 51.04 H new ATOM 0 HB2 CYS A 28 -3.701 -6.673 -12.607 1.00 41.53 H new ATOM 0 HB3 CYS A 28 -3.144 -8.334 -12.598 1.00 41.53 H new ATOM 393 N CYS A 29 -6.205 -9.887 -14.067 1.00 23.52 N ATOM 394 CA CYS A 29 -6.469 -11.261 -14.462 1.00 40.35 C ATOM 395 C CYS A 29 -7.190 -11.963 -13.310 1.00 3.42 C ATOM 396 O CYS A 29 -6.870 -13.102 -12.976 1.00 60.43 O ATOM 397 CB CYS A 29 -5.186 -11.991 -14.863 1.00 50.04 C ATOM 398 SG CYS A 29 -4.256 -11.212 -16.234 1.00 23.55 S ATOM 0 H CYS A 29 -6.630 -9.181 -14.668 1.00 23.52 H new ATOM 0 HA CYS A 29 -7.106 -11.271 -15.347 1.00 40.35 H new ATOM 0 HB2 CYS A 29 -4.534 -12.056 -13.992 1.00 50.04 H new ATOM 0 HB3 CYS A 29 -5.440 -13.012 -15.149 1.00 50.04 H new ATOM 403 N GLY A 30 -8.148 -11.253 -12.734 1.00 13.01 N ATOM 404 CA GLY A 30 -8.917 -11.794 -11.625 1.00 64.11 C ATOM 405 C GLY A 30 -7.998 -12.216 -10.476 1.00 72.11 C ATOM 406 O GLY A 30 -8.342 -13.103 -9.696 1.00 11.12 O ATOM 0 H GLY A 30 -8.410 -10.308 -13.014 1.00 13.01 H new ATOM 0 HA2 GLY A 30 -9.628 -11.047 -11.272 1.00 64.11 H new ATOM 0 HA3 GLY A 30 -9.498 -12.651 -11.965 1.00 64.11 H new ATOM 410 N GLU A 31 -6.849 -11.561 -10.409 1.00 21.32 N ATOM 411 CA GLU A 31 -5.879 -11.858 -9.368 1.00 3.43 C ATOM 412 C GLU A 31 -5.470 -10.574 -8.642 1.00 13.21 C ATOM 413 O GLU A 31 -5.675 -9.475 -9.154 1.00 54.42 O ATOM 414 CB GLU A 31 -4.656 -12.573 -9.946 1.00 34.55 C ATOM 415 CG GLU A 31 -3.550 -12.701 -8.897 1.00 42.13 C ATOM 416 CD GLU A 31 -2.393 -13.554 -9.422 1.00 60.13 C ATOM 417 OE1 GLU A 31 -2.447 -14.790 -9.341 1.00 70.00 O ATOM 418 OE2 GLU A 31 -1.411 -12.887 -9.929 1.00 61.33 O ATOM 0 H GLU A 31 -6.567 -10.826 -11.058 1.00 21.32 H new ATOM 0 HA GLU A 31 -6.344 -12.529 -8.646 1.00 3.43 H new ATOM 0 HB2 GLU A 31 -4.943 -13.563 -10.300 1.00 34.55 H new ATOM 0 HB3 GLU A 31 -4.282 -12.022 -10.809 1.00 34.55 H new ATOM 0 HG2 GLU A 31 -3.183 -11.711 -8.627 1.00 42.13 H new ATOM 0 HG3 GLU A 31 -3.955 -13.149 -7.990 1.00 42.13 H new ATOM 425 N ASP A 32 -4.900 -10.756 -7.460 1.00 74.12 N ATOM 426 CA ASP A 32 -4.460 -9.627 -6.659 1.00 53.30 C ATOM 427 C ASP A 32 -3.015 -9.282 -7.021 1.00 42.13 C ATOM 428 O ASP A 32 -2.085 -9.967 -6.598 1.00 10.21 O ATOM 429 CB ASP A 32 -4.508 -9.958 -5.166 1.00 20.40 C ATOM 430 CG ASP A 32 -3.831 -8.934 -4.254 1.00 25.41 C ATOM 431 OD1 ASP A 32 -3.348 -7.890 -4.715 1.00 50.31 O ATOM 432 OD2 ASP A 32 -3.810 -9.248 -3.003 1.00 23.02 O ATOM 0 H ASP A 32 -4.733 -11.669 -7.038 1.00 74.12 H new ATOM 0 HA ASP A 32 -5.126 -8.789 -6.864 1.00 53.30 H new ATOM 0 HB2 ASP A 32 -5.551 -10.057 -4.865 1.00 20.40 H new ATOM 0 HB3 ASP A 32 -4.038 -10.929 -5.009 1.00 20.40 H new ATOM 437 N MET A 33 -2.871 -8.219 -7.799 1.00 63.43 N ATOM 438 CA MET A 33 -1.554 -7.775 -8.223 1.00 72.33 C ATOM 439 C MET A 33 -0.553 -7.848 -7.068 1.00 60.20 C ATOM 440 O MET A 33 -0.825 -7.356 -5.974 1.00 34.54 O ATOM 441 CB MET A 33 -1.641 -6.335 -8.734 1.00 71.42 C ATOM 442 CG MET A 33 -1.936 -6.303 -10.235 1.00 41.00 C ATOM 443 SD MET A 33 -2.630 -4.722 -10.687 1.00 5.13 S ATOM 444 CE MET A 33 -1.247 -3.658 -10.310 1.00 51.43 C ATOM 0 H MET A 33 -3.645 -7.652 -8.147 1.00 63.43 H new ATOM 0 HA MET A 33 -1.208 -8.433 -9.021 1.00 72.33 H new ATOM 0 HB2 MET A 33 -2.423 -5.800 -8.195 1.00 71.42 H new ATOM 0 HB3 MET A 33 -0.704 -5.817 -8.533 1.00 71.42 H new ATOM 0 HG2 MET A 33 -1.020 -6.482 -10.798 1.00 41.00 H new ATOM 0 HG3 MET A 33 -2.631 -7.102 -10.495 1.00 41.00 H new ATOM 0 HE1 MET A 33 -1.449 -2.653 -10.682 1.00 51.43 H new ATOM 0 HE2 MET A 33 -1.099 -3.623 -9.231 1.00 51.43 H new ATOM 0 HE3 MET A 33 -0.348 -4.047 -10.787 1.00 51.43 H new ATOM 454 N VAL A 34 0.585 -8.464 -7.352 1.00 64.40 N ATOM 455 CA VAL A 34 1.628 -8.608 -6.351 1.00 31.04 C ATOM 456 C VAL A 34 2.519 -7.365 -6.367 1.00 4.42 C ATOM 457 O VAL A 34 2.484 -6.583 -7.317 1.00 21.11 O ATOM 458 CB VAL A 34 2.406 -9.905 -6.587 1.00 14.04 C ATOM 459 CG1 VAL A 34 3.269 -10.254 -5.374 1.00 24.41 C ATOM 460 CG2 VAL A 34 1.460 -11.055 -6.937 1.00 34.32 C ATOM 0 H VAL A 34 0.808 -8.869 -8.261 1.00 64.40 H new ATOM 0 HA VAL A 34 1.193 -8.683 -5.355 1.00 31.04 H new ATOM 0 HB VAL A 34 3.071 -9.748 -7.437 1.00 14.04 H new ATOM 0 HG11 VAL A 34 3.811 -11.180 -5.567 1.00 24.41 H new ATOM 0 HG12 VAL A 34 3.980 -9.449 -5.189 1.00 24.41 H new ATOM 0 HG13 VAL A 34 2.632 -10.383 -4.499 1.00 24.41 H new ATOM 0 HG21 VAL A 34 2.038 -11.965 -7.100 1.00 34.32 H new ATOM 0 HG22 VAL A 34 0.759 -11.212 -6.117 1.00 34.32 H new ATOM 0 HG23 VAL A 34 0.908 -10.809 -7.844 1.00 34.32 H new ATOM 470 N LYS A 35 3.298 -7.220 -5.305 1.00 52.43 N ATOM 471 CA LYS A 35 4.197 -6.085 -5.186 1.00 10.24 C ATOM 472 C LYS A 35 5.642 -6.566 -5.335 1.00 21.33 C ATOM 473 O LYS A 35 5.994 -7.643 -4.855 1.00 15.12 O ATOM 474 CB LYS A 35 3.933 -5.327 -3.883 1.00 42.44 C ATOM 475 CG LYS A 35 4.836 -5.836 -2.759 1.00 3.32 C ATOM 476 CD LYS A 35 6.116 -5.002 -2.663 1.00 13.22 C ATOM 477 CE LYS A 35 5.833 -3.635 -2.034 1.00 72.02 C ATOM 478 NZ LYS A 35 7.061 -2.810 -2.016 1.00 12.32 N ATOM 0 H LYS A 35 3.325 -7.870 -4.519 1.00 52.43 H new ATOM 0 HA LYS A 35 4.015 -5.369 -5.988 1.00 10.24 H new ATOM 0 HB2 LYS A 35 4.104 -4.262 -4.037 1.00 42.44 H new ATOM 0 HB3 LYS A 35 2.888 -5.444 -3.596 1.00 42.44 H new ATOM 0 HG2 LYS A 35 4.300 -5.796 -1.811 1.00 3.32 H new ATOM 0 HG3 LYS A 35 5.091 -6.881 -2.937 1.00 3.32 H new ATOM 0 HD2 LYS A 35 6.857 -5.534 -2.067 1.00 13.22 H new ATOM 0 HD3 LYS A 35 6.543 -4.868 -3.657 1.00 13.22 H new ATOM 0 HE2 LYS A 35 5.052 -3.124 -2.597 1.00 72.02 H new ATOM 0 HE3 LYS A 35 5.460 -3.765 -1.018 1.00 72.02 H new ATOM 0 HZ1 LYS A 35 6.820 -1.835 -1.746 1.00 12.32 H new ATOM 0 HZ2 LYS A 35 7.734 -3.204 -1.327 1.00 12.32 H new ATOM 0 HZ3 LYS A 35 7.494 -2.811 -2.962 1.00 12.32 H new ATOM 491 N GLN A 36 6.439 -5.745 -6.002 1.00 24.11 N ATOM 492 CA GLN A 36 7.838 -6.074 -6.220 1.00 51.32 C ATOM 493 C GLN A 36 8.680 -5.636 -5.019 1.00 54.25 C ATOM 494 O GLN A 36 9.109 -4.486 -4.945 1.00 14.33 O ATOM 495 CB GLN A 36 8.355 -5.439 -7.513 1.00 31.52 C ATOM 496 CG GLN A 36 7.299 -5.508 -8.618 1.00 54.32 C ATOM 497 CD GLN A 36 7.260 -6.899 -9.254 1.00 2.22 C ATOM 498 OE1 GLN A 36 6.176 -7.604 -8.944 1.00 12.14 O flip ATOM 499 NE2 GLN A 36 8.154 -7.303 -9.979 1.00 23.41 N flip ATOM 0 H GLN A 36 6.143 -4.853 -6.399 1.00 24.11 H new ATOM 0 HA GLN A 36 7.925 -7.155 -6.325 1.00 51.32 H new ATOM 0 HB2 GLN A 36 8.626 -4.400 -7.329 1.00 31.52 H new ATOM 0 HB3 GLN A 36 9.260 -5.952 -7.838 1.00 31.52 H new ATOM 0 HG2 GLN A 36 6.320 -5.265 -8.206 1.00 54.32 H new ATOM 0 HG3 GLN A 36 7.517 -4.761 -9.381 1.00 54.32 H new ATOM 0 HE21 GLN A 36 8.959 -6.708 -10.176 1.00 23.41 H new ATOM 0 HE22 GLN A 36 8.096 -8.235 -10.389 1.00 23.41 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -2.762 -1.507 -22.342 1.00 64.14 N ATOM 510 CA ALA B 1 -2.000 -0.504 -21.620 1.00 22.10 C ATOM 511 C ALA B 1 -0.534 -0.572 -22.054 1.00 10.31 C ATOM 512 O ALA B 1 0.253 -1.321 -21.480 1.00 23.43 O ATOM 513 CB ALA B 1 -2.172 -0.718 -20.114 1.00 44.42 C ATOM 0 H1 ALA B 1 -3.759 -1.463 -22.049 1.00 64.14 H new ATOM 0 H2 ALA B 1 -2.693 -1.326 -23.364 1.00 64.14 H new ATOM 0 H3 ALA B 1 -2.380 -2.451 -22.131 1.00 64.14 H new ATOM 0 HA ALA B 1 -2.367 0.496 -21.852 1.00 22.10 H new ATOM 0 HB1 ALA B 1 -1.600 0.035 -19.572 1.00 44.42 H new ATOM 0 HB2 ALA B 1 -3.226 -0.631 -19.852 1.00 44.42 H new ATOM 0 HB3 ALA B 1 -1.812 -1.711 -19.844 1.00 44.42 H new ATOM 519 N ASN B 2 -0.213 0.222 -23.066 1.00 2.24 N ATOM 520 CA ASN B 2 1.144 0.262 -23.583 1.00 62.41 C ATOM 521 C ASN B 2 2.079 0.822 -22.510 1.00 21.12 C ATOM 522 O ASN B 2 1.676 1.661 -21.706 1.00 51.03 O ATOM 523 CB ASN B 2 1.239 1.169 -24.812 1.00 13.02 C ATOM 524 CG ASN B 2 1.162 2.644 -24.412 1.00 32.44 C ATOM 525 OD1 ASN B 2 0.020 3.237 -24.747 1.00 34.11 O flip ATOM 526 ND2 ASN B 2 2.079 3.206 -23.836 1.00 34.41 N flip ATOM 0 H ASN B 2 -0.869 0.842 -23.541 1.00 2.24 H new ATOM 0 HA ASN B 2 1.428 -0.753 -23.860 1.00 62.41 H new ATOM 0 HB2 ASN B 2 2.175 0.979 -25.337 1.00 13.02 H new ATOM 0 HB3 ASN B 2 0.431 0.934 -25.505 1.00 13.02 H new ATOM 0 HD21 ASN B 2 2.930 2.691 -23.608 1.00 34.41 H new ATOM 0 HD22 ASN B 2 1.995 4.190 -23.582 1.00 34.41 H new ATOM 533 N GLU B 3 3.311 0.334 -22.530 1.00 75.25 N ATOM 534 CA GLU B 3 4.307 0.775 -21.569 1.00 10.24 C ATOM 535 C GLU B 3 4.438 2.299 -21.601 1.00 34.10 C ATOM 536 O GLU B 3 4.412 2.905 -22.671 1.00 51.53 O ATOM 537 CB GLU B 3 5.656 0.103 -21.830 1.00 64.31 C ATOM 538 CG GLU B 3 6.725 0.625 -20.866 1.00 14.51 C ATOM 539 CD GLU B 3 8.090 0.009 -21.176 1.00 24.04 C ATOM 540 OE1 GLU B 3 8.161 -1.079 -21.765 1.00 21.41 O ATOM 541 OE2 GLU B 3 9.103 0.704 -20.782 1.00 61.25 O ATOM 0 H GLU B 3 3.642 -0.363 -23.197 1.00 75.25 H new ATOM 0 HA GLU B 3 3.978 0.479 -20.573 1.00 10.24 H new ATOM 0 HB2 GLU B 3 5.556 -0.977 -21.718 1.00 64.31 H new ATOM 0 HB3 GLU B 3 5.966 0.289 -22.858 1.00 64.31 H new ATOM 0 HG2 GLU B 3 6.787 1.711 -20.939 1.00 14.51 H new ATOM 0 HG3 GLU B 3 6.441 0.390 -19.840 1.00 14.51 H new ATOM 548 N GLY B 4 4.575 2.875 -20.416 1.00 74.40 N ATOM 549 CA GLY B 4 4.710 4.316 -20.295 1.00 32.11 C ATOM 550 C GLY B 4 3.340 4.986 -20.161 1.00 22.51 C ATOM 551 O GLY B 4 3.241 6.211 -20.172 1.00 40.50 O ATOM 0 H GLY B 4 4.595 2.369 -19.531 1.00 74.40 H new ATOM 0 HA2 GLY B 4 5.323 4.556 -19.426 1.00 32.11 H new ATOM 0 HA3 GLY B 4 5.228 4.711 -21.169 1.00 32.11 H new ATOM 555 N ASP B 5 2.318 4.151 -20.040 1.00 4.45 N ATOM 556 CA ASP B 5 0.959 4.646 -19.904 1.00 55.45 C ATOM 557 C ASP B 5 0.652 4.884 -18.424 1.00 40.51 C ATOM 558 O ASP B 5 1.304 4.313 -17.552 1.00 41.55 O ATOM 559 CB ASP B 5 -0.053 3.632 -20.440 1.00 71.30 C ATOM 560 CG ASP B 5 -0.410 3.793 -21.919 1.00 53.24 C ATOM 561 OD1 ASP B 5 0.446 4.461 -22.617 1.00 12.22 O ATOM 562 OD2 ASP B 5 -1.452 3.307 -22.382 1.00 15.11 O ATOM 0 H ASP B 5 2.404 3.135 -20.033 1.00 4.45 H new ATOM 0 HA ASP B 5 0.879 5.571 -20.475 1.00 55.45 H new ATOM 0 HB2 ASP B 5 0.344 2.629 -20.285 1.00 71.30 H new ATOM 0 HB3 ASP B 5 -0.967 3.708 -19.851 1.00 71.30 H new ATOM 567 N VAL B 6 -0.341 5.728 -18.187 1.00 70.44 N ATOM 568 CA VAL B 6 -0.742 6.048 -16.828 1.00 54.24 C ATOM 569 C VAL B 6 -2.236 5.759 -16.661 1.00 52.33 C ATOM 570 O VAL B 6 -3.034 6.065 -17.546 1.00 13.33 O ATOM 571 CB VAL B 6 -0.374 7.497 -16.501 1.00 64.34 C ATOM 572 CG1 VAL B 6 -1.300 8.069 -15.427 1.00 13.34 C ATOM 573 CG2 VAL B 6 1.092 7.606 -16.077 1.00 14.53 C ATOM 0 H VAL B 6 -0.880 6.200 -18.913 1.00 70.44 H new ATOM 0 HA VAL B 6 -0.207 5.422 -16.114 1.00 54.24 H new ATOM 0 HB VAL B 6 -0.507 8.090 -17.406 1.00 64.34 H new ATOM 0 HG11 VAL B 6 -1.017 9.100 -15.214 1.00 13.34 H new ATOM 0 HG12 VAL B 6 -2.330 8.042 -15.783 1.00 13.34 H new ATOM 0 HG13 VAL B 6 -1.214 7.473 -14.518 1.00 13.34 H new ATOM 0 HG21 VAL B 6 1.329 8.645 -15.850 1.00 14.53 H new ATOM 0 HG22 VAL B 6 1.261 6.994 -15.191 1.00 14.53 H new ATOM 0 HG23 VAL B 6 1.732 7.257 -16.887 1.00 14.53 H new ATOM 583 N TYR B 7 -2.568 5.174 -15.520 1.00 22.12 N ATOM 584 CA TYR B 7 -3.952 4.840 -15.225 1.00 0.33 C ATOM 585 C TYR B 7 -4.359 5.363 -13.845 1.00 33.40 C ATOM 586 O TYR B 7 -3.665 5.127 -12.859 1.00 20.24 O ATOM 587 CB TYR B 7 -4.025 3.312 -15.221 1.00 3.12 C ATOM 588 CG TYR B 7 -4.441 2.705 -16.562 1.00 51.32 C ATOM 589 CD1 TYR B 7 -3.641 2.875 -17.674 1.00 61.42 C ATOM 590 CD2 TYR B 7 -5.616 1.989 -16.660 1.00 62.33 C ATOM 591 CE1 TYR B 7 -4.032 2.304 -18.936 1.00 31.30 C ATOM 592 CE2 TYR B 7 -6.008 1.418 -17.923 1.00 22.34 C ATOM 593 CZ TYR B 7 -5.197 1.603 -18.999 1.00 2.32 C ATOM 594 OH TYR B 7 -5.566 1.065 -20.191 1.00 32.42 O ATOM 0 H TYR B 7 -1.903 4.922 -14.788 1.00 22.12 H new ATOM 0 HA TYR B 7 -4.621 5.288 -15.960 1.00 0.33 H new ATOM 0 HB2 TYR B 7 -3.050 2.913 -14.940 1.00 3.12 H new ATOM 0 HB3 TYR B 7 -4.733 2.994 -14.455 1.00 3.12 H new ATOM 0 HD1 TYR B 7 -2.722 3.436 -17.597 1.00 61.42 H new ATOM 0 HD2 TYR B 7 -6.242 1.857 -15.790 1.00 62.33 H new ATOM 0 HE1 TYR B 7 -3.415 2.429 -19.813 1.00 31.30 H new ATOM 0 HE2 TYR B 7 -6.925 0.855 -18.014 1.00 22.34 H new ATOM 0 HH TYR B 7 -6.418 0.592 -20.087 1.00 32.42 H new ATOM 604 N LYS B 8 -5.484 6.062 -13.822 1.00 23.21 N ATOM 605 CA LYS B 8 -5.993 6.619 -12.580 1.00 43.30 C ATOM 606 C LYS B 8 -7.437 6.158 -12.373 1.00 20.42 C ATOM 607 O LYS B 8 -8.092 5.714 -13.314 1.00 43.34 O ATOM 608 CB LYS B 8 -5.826 8.140 -12.568 1.00 0.12 C ATOM 609 CG LYS B 8 -6.449 8.750 -11.310 1.00 25.34 C ATOM 610 CD LYS B 8 -6.197 10.258 -11.250 1.00 24.34 C ATOM 611 CE LYS B 8 -6.752 10.855 -9.954 1.00 42.04 C ATOM 612 NZ LYS B 8 -6.194 12.207 -9.726 1.00 75.24 N ATOM 0 H LYS B 8 -6.057 6.255 -14.643 1.00 23.21 H new ATOM 0 HA LYS B 8 -5.416 6.250 -11.732 1.00 43.30 H new ATOM 0 HB2 LYS B 8 -4.767 8.394 -12.613 1.00 0.12 H new ATOM 0 HB3 LYS B 8 -6.294 8.568 -13.454 1.00 0.12 H new ATOM 0 HG2 LYS B 8 -7.522 8.556 -11.300 1.00 25.34 H new ATOM 0 HG3 LYS B 8 -6.031 8.272 -10.424 1.00 25.34 H new ATOM 0 HD2 LYS B 8 -5.127 10.455 -11.316 1.00 24.34 H new ATOM 0 HD3 LYS B 8 -6.664 10.743 -12.107 1.00 24.34 H new ATOM 0 HE2 LYS B 8 -7.839 10.908 -10.007 1.00 42.04 H new ATOM 0 HE3 LYS B 8 -6.505 10.207 -9.113 1.00 42.04 H new ATOM 0 HZ1 LYS B 8 -6.581 12.598 -8.843 1.00 75.24 H new ATOM 0 HZ2 LYS B 8 -5.158 12.147 -9.654 1.00 75.24 H new ATOM 0 HZ3 LYS B 8 -6.451 12.827 -10.521 1.00 75.24 H new ATOM 625 N CYS B 9 -7.890 6.277 -11.134 1.00 13.35 N ATOM 626 CA CYS B 9 -9.244 5.877 -10.790 1.00 2.55 C ATOM 627 C CYS B 9 -10.108 7.137 -10.700 1.00 74.42 C ATOM 628 O CYS B 9 -9.589 8.251 -10.695 1.00 3.50 O ATOM 629 CB CYS B 9 -9.283 5.065 -9.494 1.00 53.11 C ATOM 630 SG CYS B 9 -10.814 4.093 -9.243 1.00 13.03 S ATOM 0 H CYS B 9 -7.343 6.645 -10.355 1.00 13.35 H new ATOM 0 HA CYS B 9 -9.639 5.220 -11.565 1.00 2.55 H new ATOM 0 HB2 CYS B 9 -8.431 4.385 -9.482 1.00 53.11 H new ATOM 0 HB3 CYS B 9 -9.159 5.745 -8.652 1.00 53.11 H new ATOM 635 N GLU B 10 -11.414 6.917 -10.632 1.00 5.01 N ATOM 636 CA GLU B 10 -12.355 8.020 -10.542 1.00 62.22 C ATOM 637 C GLU B 10 -13.132 7.948 -9.226 1.00 14.00 C ATOM 638 O GLU B 10 -14.122 8.657 -9.047 1.00 73.43 O ATOM 639 CB GLU B 10 -13.305 8.028 -11.741 1.00 62.11 C ATOM 640 CG GLU B 10 -12.532 8.186 -13.052 1.00 50.43 C ATOM 641 CD GLU B 10 -11.902 9.578 -13.152 1.00 62.52 C ATOM 642 OE1 GLU B 10 -11.002 9.908 -12.367 1.00 3.32 O ATOM 643 OE2 GLU B 10 -12.380 10.326 -14.088 1.00 65.42 O ATOM 0 H GLU B 10 -11.842 5.991 -10.637 1.00 5.01 H new ATOM 0 HA GLU B 10 -11.794 8.954 -10.559 1.00 62.22 H new ATOM 0 HB2 GLU B 10 -13.878 7.101 -11.762 1.00 62.11 H new ATOM 0 HB3 GLU B 10 -14.021 8.843 -11.637 1.00 62.11 H new ATOM 0 HG2 GLU B 10 -11.754 7.425 -13.114 1.00 50.43 H new ATOM 0 HG3 GLU B 10 -13.203 8.025 -13.896 1.00 50.43 H new ATOM 650 N LEU B 11 -12.656 7.087 -8.340 1.00 25.32 N ATOM 651 CA LEU B 11 -13.293 6.914 -7.046 1.00 34.33 C ATOM 652 C LEU B 11 -12.225 6.913 -5.951 1.00 43.31 C ATOM 653 O LEU B 11 -12.156 7.841 -5.146 1.00 24.32 O ATOM 654 CB LEU B 11 -14.175 5.662 -7.046 1.00 40.54 C ATOM 655 CG LEU B 11 -14.341 4.960 -5.698 1.00 35.30 C ATOM 656 CD1 LEU B 11 -15.335 5.709 -4.807 1.00 62.21 C ATOM 657 CD2 LEU B 11 -14.735 3.494 -5.889 1.00 32.02 C ATOM 0 H LEU B 11 -11.835 6.501 -8.493 1.00 25.32 H new ATOM 0 HA LEU B 11 -13.962 7.748 -6.837 1.00 34.33 H new ATOM 0 HB2 LEU B 11 -15.163 5.938 -7.414 1.00 40.54 H new ATOM 0 HB3 LEU B 11 -13.758 4.948 -7.756 1.00 40.54 H new ATOM 0 HG LEU B 11 -13.379 4.972 -5.186 1.00 35.30 H new ATOM 0 HD11 LEU B 11 -15.434 5.188 -3.855 1.00 62.21 H new ATOM 0 HD12 LEU B 11 -14.974 6.722 -4.631 1.00 62.21 H new ATOM 0 HD13 LEU B 11 -16.306 5.751 -5.300 1.00 62.21 H new ATOM 0 HD21 LEU B 11 -14.847 3.017 -4.915 1.00 32.02 H new ATOM 0 HD22 LEU B 11 -15.679 3.439 -6.431 1.00 32.02 H new ATOM 0 HD23 LEU B 11 -13.960 2.980 -6.458 1.00 32.02 H new ATOM 669 N CYS B 12 -11.419 5.862 -5.956 1.00 10.33 N ATOM 670 CA CYS B 12 -10.358 5.728 -4.973 1.00 3.01 C ATOM 671 C CYS B 12 -9.308 6.807 -5.249 1.00 15.51 C ATOM 672 O CYS B 12 -8.468 7.094 -4.398 1.00 51.13 O ATOM 673 CB CYS B 12 -9.749 4.325 -4.984 1.00 52.10 C ATOM 674 SG CYS B 12 -8.738 3.938 -6.460 1.00 51.35 S ATOM 0 H CYS B 12 -11.479 5.095 -6.626 1.00 10.33 H new ATOM 0 HA CYS B 12 -10.768 5.867 -3.972 1.00 3.01 H new ATOM 0 HB2 CYS B 12 -9.129 4.206 -4.095 1.00 52.10 H new ATOM 0 HB3 CYS B 12 -10.554 3.594 -4.911 1.00 52.10 H new ATOM 679 N GLY B 13 -9.391 7.377 -6.443 1.00 11.12 N ATOM 680 CA GLY B 13 -8.460 8.418 -6.841 1.00 51.13 C ATOM 681 C GLY B 13 -7.015 7.920 -6.765 1.00 33.30 C ATOM 682 O GLY B 13 -6.142 8.616 -6.251 1.00 24.13 O ATOM 0 H GLY B 13 -10.089 7.137 -7.147 1.00 11.12 H new ATOM 0 HA2 GLY B 13 -8.684 8.742 -7.857 1.00 51.13 H new ATOM 0 HA3 GLY B 13 -8.583 9.287 -6.195 1.00 51.13 H new ATOM 686 N GLN B 14 -6.809 6.719 -7.286 1.00 13.03 N ATOM 687 CA GLN B 14 -5.486 6.120 -7.283 1.00 4.13 C ATOM 688 C GLN B 14 -4.822 6.292 -8.650 1.00 62.44 C ATOM 689 O GLN B 14 -5.486 6.208 -9.681 1.00 73.44 O ATOM 690 CB GLN B 14 -5.553 4.643 -6.888 1.00 5.11 C ATOM 691 CG GLN B 14 -4.199 3.960 -7.086 1.00 64.31 C ATOM 692 CD GLN B 14 -3.851 3.074 -5.888 1.00 63.54 C ATOM 693 OE1 GLN B 14 -2.898 3.311 -5.163 1.00 23.40 O ATOM 694 NE2 GLN B 14 -4.674 2.043 -5.721 1.00 63.33 N ATOM 0 H GLN B 14 -7.536 6.145 -7.713 1.00 13.03 H new ATOM 0 HA GLN B 14 -4.878 6.634 -6.538 1.00 4.13 H new ATOM 0 HB2 GLN B 14 -5.859 4.555 -5.846 1.00 5.11 H new ATOM 0 HB3 GLN B 14 -6.310 4.137 -7.487 1.00 5.11 H new ATOM 0 HG2 GLN B 14 -4.221 3.358 -7.994 1.00 64.31 H new ATOM 0 HG3 GLN B 14 -3.424 4.714 -7.222 1.00 64.31 H new ATOM 0 HE21 GLN B 14 -5.453 1.903 -6.365 1.00 63.33 H new ATOM 0 HE22 GLN B 14 -4.527 1.393 -4.949 1.00 63.33 H new ATOM 703 N VAL B 15 -3.519 6.530 -8.614 1.00 43.03 N ATOM 704 CA VAL B 15 -2.758 6.714 -9.838 1.00 40.21 C ATOM 705 C VAL B 15 -1.652 5.659 -9.910 1.00 41.41 C ATOM 706 O VAL B 15 -0.975 5.396 -8.918 1.00 31.11 O ATOM 707 CB VAL B 15 -2.224 8.147 -9.912 1.00 31.12 C ATOM 708 CG1 VAL B 15 -1.543 8.410 -11.256 1.00 62.22 C ATOM 709 CG2 VAL B 15 -3.339 9.162 -9.654 1.00 72.52 C ATOM 0 H VAL B 15 -2.971 6.600 -7.756 1.00 43.03 H new ATOM 0 HA VAL B 15 -3.397 6.574 -10.710 1.00 40.21 H new ATOM 0 HB VAL B 15 -1.475 8.266 -9.129 1.00 31.12 H new ATOM 0 HG11 VAL B 15 -1.173 9.435 -11.282 1.00 62.22 H new ATOM 0 HG12 VAL B 15 -0.709 7.720 -11.383 1.00 62.22 H new ATOM 0 HG13 VAL B 15 -2.261 8.263 -12.063 1.00 62.22 H new ATOM 0 HG21 VAL B 15 -2.933 10.172 -9.712 1.00 72.52 H new ATOM 0 HG22 VAL B 15 -4.121 9.042 -10.404 1.00 72.52 H new ATOM 0 HG23 VAL B 15 -3.759 8.997 -8.662 1.00 72.52 H new ATOM 719 N VAL B 16 -1.503 5.084 -11.094 1.00 43.43 N ATOM 720 CA VAL B 16 -0.490 4.064 -11.309 1.00 31.03 C ATOM 721 C VAL B 16 0.078 4.205 -12.722 1.00 52.31 C ATOM 722 O VAL B 16 -0.538 4.831 -13.584 1.00 3.42 O ATOM 723 CB VAL B 16 -1.078 2.678 -11.037 1.00 0.54 C ATOM 724 CG1 VAL B 16 -1.383 2.496 -9.548 1.00 32.43 C ATOM 725 CG2 VAL B 16 -2.327 2.435 -11.886 1.00 13.52 C ATOM 0 H VAL B 16 -2.067 5.305 -11.915 1.00 43.43 H new ATOM 0 HA VAL B 16 0.338 4.195 -10.612 1.00 31.03 H new ATOM 0 HB VAL B 16 -0.332 1.936 -11.320 1.00 0.54 H new ATOM 0 HG11 VAL B 16 -1.800 1.503 -9.381 1.00 32.43 H new ATOM 0 HG12 VAL B 16 -0.464 2.605 -8.972 1.00 32.43 H new ATOM 0 HG13 VAL B 16 -2.103 3.250 -9.229 1.00 32.43 H new ATOM 0 HG21 VAL B 16 -2.724 1.443 -11.673 1.00 13.52 H new ATOM 0 HG22 VAL B 16 -3.080 3.186 -11.649 1.00 13.52 H new ATOM 0 HG23 VAL B 16 -2.068 2.503 -12.943 1.00 13.52 H new ATOM 735 N LYS B 17 1.247 3.612 -12.918 1.00 35.22 N ATOM 736 CA LYS B 17 1.905 3.664 -14.212 1.00 31.14 C ATOM 737 C LYS B 17 1.889 2.270 -14.843 1.00 43.52 C ATOM 738 O LYS B 17 1.600 1.283 -14.170 1.00 12.34 O ATOM 739 CB LYS B 17 3.307 4.262 -14.077 1.00 60.40 C ATOM 740 CG LYS B 17 3.603 5.231 -15.222 1.00 43.25 C ATOM 741 CD LYS B 17 5.058 5.111 -15.680 1.00 73.25 C ATOM 742 CE LYS B 17 5.384 6.156 -16.750 1.00 24.33 C ATOM 743 NZ LYS B 17 6.752 6.686 -16.554 1.00 41.34 N ATOM 0 H LYS B 17 1.755 3.093 -12.202 1.00 35.22 H new ATOM 0 HA LYS B 17 1.365 4.327 -14.888 1.00 31.14 H new ATOM 0 HB2 LYS B 17 3.393 4.783 -13.124 1.00 60.40 H new ATOM 0 HB3 LYS B 17 4.048 3.463 -14.072 1.00 60.40 H new ATOM 0 HG2 LYS B 17 2.936 5.025 -16.059 1.00 43.25 H new ATOM 0 HG3 LYS B 17 3.403 6.253 -14.899 1.00 43.25 H new ATOM 0 HD2 LYS B 17 5.724 5.239 -14.826 1.00 73.25 H new ATOM 0 HD3 LYS B 17 5.237 4.111 -16.076 1.00 73.25 H new ATOM 0 HE2 LYS B 17 5.298 5.710 -17.741 1.00 24.33 H new ATOM 0 HE3 LYS B 17 4.661 6.971 -16.704 1.00 24.33 H new ATOM 0 HZ1 LYS B 17 6.958 7.394 -17.287 1.00 41.34 H new ATOM 0 HZ2 LYS B 17 6.821 7.129 -15.616 1.00 41.34 H new ATOM 0 HZ3 LYS B 17 7.439 5.908 -16.621 1.00 41.34 H new ATOM 756 N VAL B 18 2.202 2.235 -16.130 1.00 62.44 N ATOM 757 CA VAL B 18 2.227 0.978 -16.860 1.00 43.32 C ATOM 758 C VAL B 18 3.665 0.668 -17.283 1.00 14.33 C ATOM 759 O VAL B 18 4.082 1.024 -18.384 1.00 24.01 O ATOM 760 CB VAL B 18 1.256 1.040 -18.041 1.00 2.42 C ATOM 761 CG1 VAL B 18 1.391 -0.200 -18.927 1.00 20.24 C ATOM 762 CG2 VAL B 18 -0.185 1.216 -17.557 1.00 65.44 C ATOM 0 H VAL B 18 2.440 3.056 -16.686 1.00 62.44 H new ATOM 0 HA VAL B 18 1.892 0.159 -16.224 1.00 43.32 H new ATOM 0 HB VAL B 18 1.515 1.911 -18.643 1.00 2.42 H new ATOM 0 HG11 VAL B 18 0.690 -0.131 -19.759 1.00 20.24 H new ATOM 0 HG12 VAL B 18 2.408 -0.262 -19.314 1.00 20.24 H new ATOM 0 HG13 VAL B 18 1.171 -1.092 -18.340 1.00 20.24 H new ATOM 0 HG21 VAL B 18 -0.855 1.257 -18.416 1.00 65.44 H new ATOM 0 HG22 VAL B 18 -0.461 0.374 -16.922 1.00 65.44 H new ATOM 0 HG23 VAL B 18 -0.267 2.142 -16.988 1.00 65.44 H new ATOM 772 N LEU B 19 4.382 0.008 -16.386 1.00 64.31 N ATOM 773 CA LEU B 19 5.764 -0.355 -16.653 1.00 51.22 C ATOM 774 C LEU B 19 5.803 -1.430 -17.740 1.00 23.31 C ATOM 775 O LEU B 19 6.678 -1.413 -18.605 1.00 4.33 O ATOM 776 CB LEU B 19 6.471 -0.761 -15.359 1.00 33.33 C ATOM 777 CG LEU B 19 7.980 -0.515 -15.311 1.00 40.14 C ATOM 778 CD1 LEU B 19 8.700 -1.311 -16.401 1.00 32.21 C ATOM 779 CD2 LEU B 19 8.293 0.981 -15.393 1.00 24.41 C ATOM 0 H LEU B 19 4.033 -0.285 -15.474 1.00 64.31 H new ATOM 0 HA LEU B 19 6.317 0.504 -17.034 1.00 51.22 H new ATOM 0 HB2 LEU B 19 6.009 -0.222 -14.532 1.00 33.33 H new ATOM 0 HB3 LEU B 19 6.291 -1.822 -15.188 1.00 33.33 H new ATOM 0 HG LEU B 19 8.355 -0.871 -14.351 1.00 40.14 H new ATOM 0 HD11 LEU B 19 9.771 -1.118 -16.345 1.00 32.21 H new ATOM 0 HD12 LEU B 19 8.515 -2.375 -16.257 1.00 32.21 H new ATOM 0 HD13 LEU B 19 8.328 -1.007 -17.379 1.00 32.21 H new ATOM 0 HD21 LEU B 19 9.372 1.129 -15.357 1.00 24.41 H new ATOM 0 HD22 LEU B 19 7.902 1.384 -16.328 1.00 24.41 H new ATOM 0 HD23 LEU B 19 7.828 1.497 -14.553 1.00 24.41 H new ATOM 791 N GLU B 20 4.846 -2.342 -17.660 1.00 60.31 N ATOM 792 CA GLU B 20 4.760 -3.424 -18.627 1.00 5.21 C ATOM 793 C GLU B 20 3.297 -3.745 -18.936 1.00 54.52 C ATOM 794 O GLU B 20 2.563 -4.213 -18.067 1.00 52.32 O ATOM 795 CB GLU B 20 5.500 -4.666 -18.125 1.00 51.02 C ATOM 796 CG GLU B 20 5.002 -5.925 -18.839 1.00 20.20 C ATOM 797 CD GLU B 20 5.298 -5.858 -20.339 1.00 31.34 C ATOM 798 OE1 GLU B 20 4.792 -4.963 -21.031 1.00 22.13 O ATOM 799 OE2 GLU B 20 6.084 -6.780 -20.781 1.00 20.14 O ATOM 0 H GLU B 20 4.123 -2.355 -16.941 1.00 60.31 H new ATOM 0 HA GLU B 20 5.243 -3.101 -19.549 1.00 5.21 H new ATOM 0 HB2 GLU B 20 6.571 -4.548 -18.292 1.00 51.02 H new ATOM 0 HB3 GLU B 20 5.354 -4.771 -17.050 1.00 51.02 H new ATOM 0 HG2 GLU B 20 5.481 -6.805 -18.409 1.00 20.20 H new ATOM 0 HG3 GLU B 20 3.929 -6.037 -18.681 1.00 20.20 H new ATOM 806 N GLU B 21 2.916 -3.480 -20.178 1.00 3.04 N ATOM 807 CA GLU B 21 1.554 -3.735 -20.612 1.00 73.33 C ATOM 808 C GLU B 21 1.070 -5.086 -20.082 1.00 42.40 C ATOM 809 O GLU B 21 1.876 -5.975 -19.812 1.00 0.33 O ATOM 810 CB GLU B 21 1.444 -3.674 -22.138 1.00 0.32 C ATOM 811 CG GLU B 21 2.248 -4.801 -22.790 1.00 54.03 C ATOM 812 CD GLU B 21 1.580 -5.273 -24.083 1.00 51.21 C ATOM 813 OE1 GLU B 21 0.961 -4.464 -24.792 1.00 24.12 O ATOM 814 OE2 GLU B 21 1.721 -6.528 -24.343 1.00 14.11 O ATOM 0 H GLU B 21 3.527 -3.092 -20.896 1.00 3.04 H new ATOM 0 HA GLU B 21 0.912 -2.955 -20.202 1.00 73.33 H new ATOM 0 HB2 GLU B 21 0.398 -3.750 -22.434 1.00 0.32 H new ATOM 0 HB3 GLU B 21 1.807 -2.710 -22.494 1.00 0.32 H new ATOM 0 HG2 GLU B 21 3.259 -4.455 -23.004 1.00 54.03 H new ATOM 0 HG3 GLU B 21 2.338 -5.637 -22.096 1.00 54.03 H new ATOM 821 N GLY B 22 -0.242 -5.199 -19.949 1.00 15.51 N ATOM 822 CA GLY B 22 -0.843 -6.427 -19.455 1.00 5.51 C ATOM 823 C GLY B 22 -1.845 -6.991 -20.464 1.00 63.23 C ATOM 824 O GLY B 22 -1.798 -6.653 -21.646 1.00 62.22 O ATOM 0 H GLY B 22 -0.908 -4.460 -20.175 1.00 15.51 H new ATOM 0 HA2 GLY B 22 -0.064 -7.164 -19.259 1.00 5.51 H new ATOM 0 HA3 GLY B 22 -1.345 -6.235 -18.507 1.00 5.51 H new ATOM 828 N GLY B 23 -2.727 -7.843 -19.961 1.00 43.40 N ATOM 829 CA GLY B 23 -3.738 -8.457 -20.804 1.00 71.42 C ATOM 830 C GLY B 23 -5.143 -8.178 -20.267 1.00 54.34 C ATOM 831 O GLY B 23 -6.021 -7.746 -21.013 1.00 41.42 O ATOM 0 H GLY B 23 -2.762 -8.122 -18.981 1.00 43.40 H new ATOM 0 HA2 GLY B 23 -3.651 -8.074 -21.821 1.00 71.42 H new ATOM 0 HA3 GLY B 23 -3.571 -9.533 -20.854 1.00 71.42 H new ATOM 835 N GLY B 24 -5.312 -8.434 -18.978 1.00 51.43 N ATOM 836 CA GLY B 24 -6.596 -8.215 -18.334 1.00 5.52 C ATOM 837 C GLY B 24 -6.861 -6.721 -18.134 1.00 41.33 C ATOM 838 O GLY B 24 -6.386 -5.893 -18.910 1.00 51.31 O ATOM 0 H GLY B 24 -4.581 -8.791 -18.362 1.00 51.43 H new ATOM 0 HA2 GLY B 24 -7.390 -8.651 -18.940 1.00 5.52 H new ATOM 0 HA3 GLY B 24 -6.615 -8.724 -17.370 1.00 5.52 H new ATOM 842 N THR B 25 -7.618 -6.421 -17.089 1.00 73.10 N ATOM 843 CA THR B 25 -7.953 -5.043 -16.777 1.00 44.51 C ATOM 844 C THR B 25 -7.388 -4.654 -15.409 1.00 13.53 C ATOM 845 O THR B 25 -7.221 -5.505 -14.538 1.00 33.41 O ATOM 846 CB THR B 25 -9.471 -4.890 -16.874 1.00 71.01 C ATOM 847 OG1 THR B 25 -9.712 -4.688 -18.264 1.00 11.24 O ATOM 848 CG2 THR B 25 -9.974 -3.603 -16.217 1.00 42.32 C ATOM 0 H THR B 25 -8.009 -7.110 -16.447 1.00 73.10 H new ATOM 0 HA THR B 25 -7.498 -4.355 -17.489 1.00 44.51 H new ATOM 0 HB THR B 25 -9.952 -5.748 -16.405 1.00 71.01 H new ATOM 0 HG1 THR B 25 -10.674 -4.581 -18.417 1.00 11.24 H new ATOM 0 HG21 THR B 25 -11.058 -3.544 -16.315 1.00 42.32 H new ATOM 0 HG22 THR B 25 -9.704 -3.604 -15.161 1.00 42.32 H new ATOM 0 HG23 THR B 25 -9.519 -2.742 -16.707 1.00 42.32 H new ATOM 856 N LEU B 26 -7.112 -3.366 -15.262 1.00 43.02 N ATOM 857 CA LEU B 26 -6.570 -2.854 -14.015 1.00 34.23 C ATOM 858 C LEU B 26 -7.722 -2.493 -13.074 1.00 73.33 C ATOM 859 O LEU B 26 -8.210 -1.364 -13.089 1.00 23.51 O ATOM 860 CB LEU B 26 -5.610 -1.694 -14.284 1.00 61.01 C ATOM 861 CG LEU B 26 -4.196 -2.082 -14.720 1.00 5.00 C ATOM 862 CD1 LEU B 26 -3.413 -0.856 -15.198 1.00 35.12 C ATOM 863 CD2 LEU B 26 -3.464 -2.829 -13.604 1.00 22.45 C ATOM 0 H LEU B 26 -7.254 -2.662 -15.986 1.00 43.02 H new ATOM 0 HA LEU B 26 -5.976 -3.619 -13.515 1.00 34.23 H new ATOM 0 HB2 LEU B 26 -6.046 -1.059 -15.056 1.00 61.01 H new ATOM 0 HB3 LEU B 26 -5.537 -1.091 -13.379 1.00 61.01 H new ATOM 0 HG LEU B 26 -4.275 -2.764 -15.567 1.00 5.00 H new ATOM 0 HD11 LEU B 26 -2.411 -1.160 -15.502 1.00 35.12 H new ATOM 0 HD12 LEU B 26 -3.928 -0.403 -16.045 1.00 35.12 H new ATOM 0 HD13 LEU B 26 -3.342 -0.131 -14.387 1.00 35.12 H new ATOM 0 HD21 LEU B 26 -2.461 -3.093 -13.940 1.00 22.45 H new ATOM 0 HD22 LEU B 26 -3.395 -2.191 -12.723 1.00 22.45 H new ATOM 0 HD23 LEU B 26 -4.013 -3.736 -13.352 1.00 22.45 H new ATOM 875 N VAL B 27 -8.124 -3.475 -12.279 1.00 42.42 N ATOM 876 CA VAL B 27 -9.209 -3.275 -11.334 1.00 12.34 C ATOM 877 C VAL B 27 -8.658 -2.631 -10.061 1.00 0.12 C ATOM 878 O VAL B 27 -7.467 -2.738 -9.772 1.00 22.25 O ATOM 879 CB VAL B 27 -9.926 -4.601 -11.071 1.00 64.35 C ATOM 880 CG1 VAL B 27 -10.668 -4.568 -9.734 1.00 41.35 C ATOM 881 CG2 VAL B 27 -10.877 -4.947 -12.219 1.00 50.34 C ATOM 0 H VAL B 27 -7.718 -4.411 -12.270 1.00 42.42 H new ATOM 0 HA VAL B 27 -9.954 -2.595 -11.747 1.00 12.34 H new ATOM 0 HB VAL B 27 -9.171 -5.385 -11.014 1.00 64.35 H new ATOM 0 HG11 VAL B 27 -11.169 -5.523 -9.572 1.00 41.35 H new ATOM 0 HG12 VAL B 27 -9.957 -4.390 -8.927 1.00 41.35 H new ATOM 0 HG13 VAL B 27 -11.408 -3.768 -9.748 1.00 41.35 H new ATOM 0 HG21 VAL B 27 -11.374 -5.894 -12.007 1.00 50.34 H new ATOM 0 HG22 VAL B 27 -11.624 -4.160 -12.322 1.00 50.34 H new ATOM 0 HG23 VAL B 27 -10.311 -5.034 -13.147 1.00 50.34 H new ATOM 891 N CYS B 28 -9.551 -1.976 -9.332 1.00 64.22 N ATOM 892 CA CYS B 28 -9.169 -1.315 -8.096 1.00 32.32 C ATOM 893 C CYS B 28 -10.435 -0.770 -7.432 1.00 2.21 C ATOM 894 O CYS B 28 -11.237 -0.096 -8.077 1.00 73.31 O ATOM 895 CB CYS B 28 -8.132 -0.216 -8.340 1.00 33.52 C ATOM 896 SG CYS B 28 -8.814 1.348 -9.001 1.00 24.11 S ATOM 0 H CYS B 28 -10.538 -1.889 -9.574 1.00 64.22 H new ATOM 0 HA CYS B 28 -8.691 -2.032 -7.429 1.00 32.32 H new ATOM 0 HB2 CYS B 28 -7.619 -0.005 -7.402 1.00 33.52 H new ATOM 0 HB3 CYS B 28 -7.382 -0.592 -9.036 1.00 33.52 H new ATOM 901 N CYS B 29 -10.573 -1.080 -6.151 1.00 41.34 N ATOM 902 CA CYS B 29 -11.728 -0.629 -5.393 1.00 71.10 C ATOM 903 C CYS B 29 -12.986 -0.932 -6.209 1.00 12.20 C ATOM 904 O CYS B 29 -13.707 -0.018 -6.607 1.00 44.31 O ATOM 905 CB CYS B 29 -11.624 0.855 -5.033 1.00 23.52 C ATOM 906 SG CYS B 29 -11.928 2.005 -6.423 1.00 72.14 S ATOM 0 H CYS B 29 -9.905 -1.638 -5.619 1.00 41.34 H new ATOM 0 HA CYS B 29 -11.775 -1.163 -4.444 1.00 71.10 H new ATOM 0 HB2 CYS B 29 -12.337 1.072 -4.238 1.00 23.52 H new ATOM 0 HB3 CYS B 29 -10.629 1.048 -4.631 1.00 23.52 H new ATOM 911 N GLY B 30 -13.213 -2.218 -6.433 1.00 11.14 N ATOM 912 CA GLY B 30 -14.371 -2.652 -7.194 1.00 20.04 C ATOM 913 C GLY B 30 -14.646 -1.705 -8.364 1.00 33.13 C ATOM 914 O GLY B 30 -15.800 -1.447 -8.700 1.00 74.05 O ATOM 0 H GLY B 30 -12.614 -2.973 -6.100 1.00 11.14 H new ATOM 0 HA2 GLY B 30 -14.206 -3.662 -7.570 1.00 20.04 H new ATOM 0 HA3 GLY B 30 -15.244 -2.694 -6.542 1.00 20.04 H new ATOM 918 N GLU B 31 -13.565 -1.213 -8.950 1.00 42.00 N ATOM 919 CA GLU B 31 -13.675 -0.300 -10.075 1.00 52.45 C ATOM 920 C GLU B 31 -12.509 -0.508 -11.044 1.00 23.12 C ATOM 921 O GLU B 31 -11.373 -0.714 -10.618 1.00 2.22 O ATOM 922 CB GLU B 31 -13.739 1.153 -9.599 1.00 0.15 C ATOM 923 CG GLU B 31 -13.404 2.119 -10.737 1.00 61.24 C ATOM 924 CD GLU B 31 -13.985 3.508 -10.465 1.00 1.51 C ATOM 925 OE1 GLU B 31 -14.569 3.738 -9.396 1.00 50.02 O ATOM 926 OE2 GLU B 31 -13.811 4.367 -11.413 1.00 4.12 O ATOM 0 H GLU B 31 -12.609 -1.429 -8.667 1.00 42.00 H new ATOM 0 HA GLU B 31 -14.604 -0.516 -10.603 1.00 52.45 H new ATOM 0 HB2 GLU B 31 -14.736 1.370 -9.215 1.00 0.15 H new ATOM 0 HB3 GLU B 31 -13.041 1.300 -8.775 1.00 0.15 H new ATOM 0 HG2 GLU B 31 -12.322 2.189 -10.853 1.00 61.24 H new ATOM 0 HG3 GLU B 31 -13.800 1.732 -11.676 1.00 61.24 H new ATOM 933 N ASP B 32 -12.830 -0.448 -12.328 1.00 43.34 N ATOM 934 CA ASP B 32 -11.823 -0.628 -13.360 1.00 2.53 C ATOM 935 C ASP B 32 -11.087 0.695 -13.584 1.00 24.34 C ATOM 936 O ASP B 32 -11.568 1.563 -14.310 1.00 64.41 O ATOM 937 CB ASP B 32 -12.462 -1.043 -14.686 1.00 42.33 C ATOM 938 CG ASP B 32 -13.781 -0.341 -15.017 1.00 32.55 C ATOM 939 OD1 ASP B 32 -13.864 0.896 -15.016 1.00 34.24 O ATOM 940 OD2 ASP B 32 -14.766 -1.130 -15.286 1.00 43.12 O ATOM 0 H ASP B 32 -13.773 -0.277 -12.677 1.00 43.34 H new ATOM 0 HA ASP B 32 -11.137 -1.408 -13.030 1.00 2.53 H new ATOM 0 HB2 ASP B 32 -11.753 -0.848 -15.490 1.00 42.33 H new ATOM 0 HB3 ASP B 32 -12.635 -2.119 -14.667 1.00 42.33 H new ATOM 945 N MET B 33 -9.931 0.807 -12.945 1.00 63.02 N ATOM 946 CA MET B 33 -9.123 2.009 -13.066 1.00 31.24 C ATOM 947 C MET B 33 -9.142 2.541 -14.500 1.00 43.21 C ATOM 948 O MET B 33 -8.871 1.801 -15.444 1.00 42.21 O ATOM 949 CB MET B 33 -7.682 1.699 -12.655 1.00 53.35 C ATOM 950 CG MET B 33 -7.123 2.795 -11.747 1.00 1.13 C ATOM 951 SD MET B 33 -5.353 2.616 -11.590 1.00 15.30 S ATOM 952 CE MET B 33 -5.277 1.071 -10.700 1.00 20.11 C ATOM 0 H MET B 33 -9.535 0.086 -12.342 1.00 63.02 H new ATOM 0 HA MET B 33 -9.541 2.773 -12.410 1.00 31.24 H new ATOM 0 HB2 MET B 33 -7.646 0.740 -12.138 1.00 53.35 H new ATOM 0 HB3 MET B 33 -7.059 1.605 -13.544 1.00 53.35 H new ATOM 0 HG2 MET B 33 -7.362 3.776 -12.158 1.00 1.13 H new ATOM 0 HG3 MET B 33 -7.591 2.738 -10.764 1.00 1.13 H new ATOM 0 HE1 MET B 33 -4.294 0.963 -10.242 1.00 20.11 H new ATOM 0 HE2 MET B 33 -6.042 1.060 -9.924 1.00 20.11 H new ATOM 0 HE3 MET B 33 -5.448 0.245 -11.390 1.00 20.11 H new ATOM 962 N VAL B 34 -9.466 3.821 -14.618 1.00 22.00 N ATOM 963 CA VAL B 34 -9.523 4.461 -15.921 1.00 62.41 C ATOM 964 C VAL B 34 -8.109 4.851 -16.356 1.00 73.43 C ATOM 965 O VAL B 34 -7.217 4.993 -15.523 1.00 5.10 O ATOM 966 CB VAL B 34 -10.485 5.650 -15.878 1.00 2.32 C ATOM 967 CG1 VAL B 34 -10.928 6.049 -17.287 1.00 4.23 C ATOM 968 CG2 VAL B 34 -11.692 5.346 -14.989 1.00 55.34 C ATOM 0 H VAL B 34 -9.692 4.431 -13.833 1.00 22.00 H new ATOM 0 HA VAL B 34 -9.914 3.771 -16.669 1.00 62.41 H new ATOM 0 HB VAL B 34 -9.953 6.496 -15.443 1.00 2.32 H new ATOM 0 HG11 VAL B 34 -11.611 6.896 -17.227 1.00 4.23 H new ATOM 0 HG12 VAL B 34 -10.055 6.327 -17.878 1.00 4.23 H new ATOM 0 HG13 VAL B 34 -11.434 5.208 -17.761 1.00 4.23 H new ATOM 0 HG21 VAL B 34 -12.360 6.207 -14.976 1.00 55.34 H new ATOM 0 HG22 VAL B 34 -12.224 4.480 -15.382 1.00 55.34 H new ATOM 0 HG23 VAL B 34 -11.353 5.134 -13.975 1.00 55.34 H new ATOM 978 N LYS B 35 -7.950 5.013 -17.661 1.00 70.43 N ATOM 979 CA LYS B 35 -6.659 5.383 -18.218 1.00 14.22 C ATOM 980 C LYS B 35 -6.698 6.851 -18.648 1.00 24.03 C ATOM 981 O LYS B 35 -7.737 7.349 -19.078 1.00 43.20 O ATOM 982 CB LYS B 35 -6.265 4.423 -19.342 1.00 65.12 C ATOM 983 CG LYS B 35 -6.729 4.950 -20.701 1.00 54.33 C ATOM 984 CD LYS B 35 -5.597 5.685 -21.421 1.00 63.42 C ATOM 985 CE LYS B 35 -4.632 4.695 -22.078 1.00 21.34 C ATOM 986 NZ LYS B 35 -3.996 5.304 -23.267 1.00 12.31 N ATOM 0 H LYS B 35 -8.693 4.895 -18.349 1.00 70.43 H new ATOM 0 HA LYS B 35 -5.877 5.291 -17.464 1.00 14.22 H new ATOM 0 HB2 LYS B 35 -5.183 4.291 -19.349 1.00 65.12 H new ATOM 0 HB3 LYS B 35 -6.705 3.443 -19.159 1.00 65.12 H new ATOM 0 HG2 LYS B 35 -7.078 4.121 -21.316 1.00 54.33 H new ATOM 0 HG3 LYS B 35 -7.575 5.623 -20.564 1.00 54.33 H new ATOM 0 HD2 LYS B 35 -6.014 6.349 -22.178 1.00 63.42 H new ATOM 0 HD3 LYS B 35 -5.055 6.310 -20.711 1.00 63.42 H new ATOM 0 HE2 LYS B 35 -3.867 4.395 -21.362 1.00 21.34 H new ATOM 0 HE3 LYS B 35 -5.169 3.792 -22.368 1.00 21.34 H new ATOM 0 HZ1 LYS B 35 -3.344 4.619 -23.701 1.00 12.31 H new ATOM 0 HZ2 LYS B 35 -4.729 5.569 -23.956 1.00 12.31 H new ATOM 0 HZ3 LYS B 35 -3.467 6.153 -22.981 1.00 12.31 H new ATOM 999 N GLN B 36 -5.551 7.503 -18.516 1.00 74.44 N ATOM 1000 CA GLN B 36 -5.440 8.903 -18.886 1.00 11.34 C ATOM 1001 C GLN B 36 -5.072 9.034 -20.365 1.00 74.11 C ATOM 1002 O GLN B 36 -4.265 9.885 -20.734 1.00 45.04 O ATOM 1003 CB GLN B 36 -4.421 9.624 -18.001 1.00 53.33 C ATOM 1004 CG GLN B 36 -4.505 9.133 -16.555 1.00 31.42 C ATOM 1005 CD GLN B 36 -5.681 9.781 -15.823 1.00 14.20 C ATOM 1006 OE1 GLN B 36 -6.723 8.971 -15.648 1.00 15.31 O flip ATOM 1007 NE2 GLN B 36 -5.647 10.939 -15.442 1.00 43.32 N flip ATOM 0 H GLN B 36 -4.691 7.087 -18.158 1.00 74.44 H new ATOM 0 HA GLN B 36 -6.409 9.378 -18.730 1.00 11.34 H new ATOM 0 HB2 GLN B 36 -3.416 9.457 -18.388 1.00 53.33 H new ATOM 0 HB3 GLN B 36 -4.601 10.699 -18.035 1.00 53.33 H new ATOM 0 HG2 GLN B 36 -4.617 8.049 -16.541 1.00 31.42 H new ATOM 0 HG3 GLN B 36 -3.576 9.364 -16.034 1.00 31.42 H new ATOM 0 HE21 GLN B 36 -4.816 11.506 -15.608 1.00 43.32 H new ATOM 0 HE22 GLN B 36 -6.450 11.340 -14.957 1.00 43.32 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -2.723 -9.789 -15.346 1.00 71.43 ZN HETATM 1018 ZN ZN B 37 -10.315 2.584 -7.751 1.00 73.43 ZN