USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 31:sc= 0.962 USER MOD Single : A 7 THR OG1 : rot -103:sc= 0.00233 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 130:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 143:sc= -0.0254 (180deg=-0.456) USER MOD Single : A 31 GLN : amide:sc= -4.48! C(o=-4.5!,f=-10!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0524 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 140:sc= 0.493 (180deg=-0.855) USER MOD Single : A 42 SER OG : rot -51:sc= 0.106 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.365 -1.643 -7.477 1.00 43.43 N ATOM 2 CA MET A 1 -0.518 -2.262 -6.464 1.00 40.40 C ATOM 3 C MET A 1 0.497 -3.203 -7.105 1.00 2.32 C ATOM 4 O MET A 1 0.127 -4.156 -7.790 1.00 63.04 O ATOM 5 CB MET A 1 -1.373 -3.027 -5.452 1.00 71.15 C ATOM 6 CG MET A 1 -1.887 -2.162 -4.313 1.00 61.10 C ATOM 7 SD MET A 1 -3.688 -2.100 -4.245 1.00 64.24 S ATOM 8 CE MET A 1 -4.038 -3.536 -3.233 1.00 40.32 C ATOM 0 H1 MET A 1 -2.048 -1.007 -7.017 1.00 43.43 H new ATOM 0 H2 MET A 1 -0.775 -1.098 -8.137 1.00 43.43 H new ATOM 0 H3 MET A 1 -1.878 -2.382 -8.000 1.00 43.43 H new ATOM 0 HA MET A 1 0.024 -1.471 -5.946 1.00 40.40 H new ATOM 0 HB2 MET A 1 -2.222 -3.473 -5.970 1.00 71.15 H new ATOM 0 HB3 MET A 1 -0.785 -3.846 -5.038 1.00 71.15 H new ATOM 0 HG2 MET A 1 -1.505 -2.548 -3.368 1.00 61.10 H new ATOM 0 HG3 MET A 1 -1.497 -1.151 -4.425 1.00 61.10 H new ATOM 0 HE1 MET A 1 -5.115 -3.633 -3.100 1.00 40.32 H new ATOM 0 HE2 MET A 1 -3.651 -4.429 -3.723 1.00 40.32 H new ATOM 0 HE3 MET A 1 -3.561 -3.420 -2.260 1.00 40.32 H new ATOM 18 N ASP A 2 1.777 -2.929 -6.877 1.00 51.44 N ATOM 19 CA ASP A 2 2.845 -3.752 -7.432 1.00 44.41 C ATOM 20 C ASP A 2 3.950 -3.973 -6.404 1.00 21.43 C ATOM 21 O ASP A 2 3.869 -3.485 -5.276 1.00 72.22 O ATOM 22 CB ASP A 2 3.424 -3.096 -8.687 1.00 70.01 C ATOM 23 CG ASP A 2 3.459 -4.042 -9.871 1.00 73.30 C ATOM 24 OD1 ASP A 2 4.571 -4.375 -10.332 1.00 74.35 O ATOM 25 OD2 ASP A 2 2.374 -4.451 -10.336 1.00 1.44 O ATOM 0 H ASP A 2 2.100 -2.144 -6.312 1.00 51.44 H new ATOM 0 HA ASP A 2 2.422 -4.720 -7.699 1.00 44.41 H new ATOM 0 HB2 ASP A 2 2.828 -2.220 -8.943 1.00 70.01 H new ATOM 0 HB3 ASP A 2 4.434 -2.744 -8.477 1.00 70.01 H new ATOM 30 N ILE A 3 4.980 -4.713 -6.800 1.00 23.21 N ATOM 31 CA ILE A 3 6.101 -4.999 -5.913 1.00 33.45 C ATOM 32 C ILE A 3 7.070 -3.824 -5.854 1.00 41.24 C ATOM 33 O ILE A 3 7.040 -2.938 -6.709 1.00 15.22 O ATOM 34 CB ILE A 3 6.865 -6.259 -6.360 1.00 24.24 C ATOM 35 CG1 ILE A 3 5.893 -7.304 -6.911 1.00 12.02 C ATOM 36 CG2 ILE A 3 7.666 -6.833 -5.200 1.00 13.53 C ATOM 37 CD1 ILE A 3 5.835 -7.338 -8.422 1.00 1.11 C ATOM 0 H ILE A 3 5.062 -5.125 -7.729 1.00 23.21 H new ATOM 0 HA ILE A 3 5.682 -5.171 -4.921 1.00 33.45 H new ATOM 0 HB ILE A 3 7.559 -5.982 -7.154 1.00 24.24 H new ATOM 0 HG12 ILE A 3 6.184 -8.288 -6.544 1.00 12.02 H new ATOM 0 HG13 ILE A 3 4.895 -7.101 -6.522 1.00 12.02 H new ATOM 0 HG21 ILE A 3 8.200 -7.723 -5.532 1.00 13.53 H new ATOM 0 HG22 ILE A 3 8.382 -6.090 -4.849 1.00 13.53 H new ATOM 0 HG23 ILE A 3 6.990 -7.098 -4.387 1.00 13.53 H new ATOM 0 HD11 ILE A 3 5.126 -8.102 -8.742 1.00 1.11 H new ATOM 0 HD12 ILE A 3 5.514 -6.366 -8.796 1.00 1.11 H new ATOM 0 HD13 ILE A 3 6.823 -7.571 -8.819 1.00 1.11 H new ATOM 49 N ASP A 4 7.931 -3.823 -4.842 1.00 73.44 N ATOM 50 CA ASP A 4 8.912 -2.758 -4.674 1.00 23.11 C ATOM 51 C ASP A 4 10.162 -3.034 -5.504 1.00 20.40 C ATOM 52 O ASP A 4 11.061 -2.198 -5.589 1.00 2.32 O ATOM 53 CB ASP A 4 9.287 -2.610 -3.199 1.00 3.14 C ATOM 54 CG ASP A 4 9.955 -1.281 -2.902 1.00 33.45 C ATOM 55 OD1 ASP A 4 9.682 -0.304 -3.630 1.00 63.11 O ATOM 56 OD2 ASP A 4 10.749 -1.219 -1.940 1.00 13.31 O ATOM 0 H ASP A 4 7.969 -4.548 -4.126 1.00 73.44 H new ATOM 0 HA ASP A 4 8.465 -1.827 -5.023 1.00 23.11 H new ATOM 0 HB2 ASP A 4 8.390 -2.707 -2.587 1.00 3.14 H new ATOM 0 HB3 ASP A 4 9.956 -3.422 -2.914 1.00 3.14 H new ATOM 61 N PHE A 5 10.212 -4.214 -6.114 1.00 41.00 N ATOM 62 CA PHE A 5 11.353 -4.602 -6.936 1.00 15.21 C ATOM 63 C PHE A 5 11.455 -3.719 -8.176 1.00 54.30 C ATOM 64 O PHE A 5 12.490 -3.104 -8.430 1.00 25.10 O ATOM 65 CB PHE A 5 11.234 -6.070 -7.350 1.00 20.12 C ATOM 66 CG PHE A 5 12.503 -6.637 -7.919 1.00 4.15 C ATOM 67 CD1 PHE A 5 13.529 -7.048 -7.083 1.00 63.31 C ATOM 68 CD2 PHE A 5 12.671 -6.758 -9.289 1.00 12.23 C ATOM 69 CE1 PHE A 5 14.699 -7.571 -7.603 1.00 54.32 C ATOM 70 CE2 PHE A 5 13.838 -7.280 -9.814 1.00 55.24 C ATOM 71 CZ PHE A 5 14.853 -7.686 -8.971 1.00 2.43 C ATOM 0 H PHE A 5 9.476 -4.918 -6.055 1.00 41.00 H new ATOM 0 HA PHE A 5 12.258 -4.471 -6.343 1.00 15.21 H new ATOM 0 HB2 PHE A 5 10.938 -6.661 -6.483 1.00 20.12 H new ATOM 0 HB3 PHE A 5 10.439 -6.168 -8.089 1.00 20.12 H new ATOM 0 HD1 PHE A 5 13.414 -6.959 -6.013 1.00 63.31 H new ATOM 0 HD2 PHE A 5 11.881 -6.441 -9.954 1.00 12.23 H new ATOM 0 HE1 PHE A 5 15.491 -7.889 -6.941 1.00 54.32 H new ATOM 0 HE2 PHE A 5 13.956 -7.370 -10.884 1.00 55.24 H new ATOM 0 HZ PHE A 5 15.766 -8.093 -9.380 1.00 2.43 H new ATOM 81 N SER A 6 10.372 -3.661 -8.945 1.00 61.52 N ATOM 82 CA SER A 6 10.340 -2.858 -10.161 1.00 41.34 C ATOM 83 C SER A 6 9.923 -1.423 -9.853 1.00 51.25 C ATOM 84 O SER A 6 8.769 -1.158 -9.516 1.00 14.51 O ATOM 85 CB SER A 6 9.378 -3.473 -11.180 1.00 23.14 C ATOM 86 OG SER A 6 8.044 -3.441 -10.704 1.00 73.25 O ATOM 0 H SER A 6 9.505 -4.161 -8.747 1.00 61.52 H new ATOM 0 HA SER A 6 11.345 -2.844 -10.584 1.00 41.34 H new ATOM 0 HB2 SER A 6 9.445 -2.929 -12.122 1.00 23.14 H new ATOM 0 HB3 SER A 6 9.670 -4.503 -11.385 1.00 23.14 H new ATOM 0 HG SER A 6 7.921 -2.658 -10.128 1.00 73.25 H new ATOM 92 N THR A 7 10.871 -0.499 -9.972 1.00 44.12 N ATOM 93 CA THR A 7 10.605 0.909 -9.706 1.00 33.11 C ATOM 94 C THR A 7 11.556 1.806 -10.489 1.00 2.53 C ATOM 95 O THR A 7 11.742 2.976 -10.151 1.00 53.11 O ATOM 96 CB THR A 7 10.732 1.231 -8.205 1.00 32.31 C ATOM 97 OG1 THR A 7 11.641 0.316 -7.583 1.00 61.11 O ATOM 98 CG2 THR A 7 9.377 1.152 -7.518 1.00 53.20 C ATOM 0 H THR A 7 11.831 -0.701 -10.251 1.00 44.12 H new ATOM 0 HA THR A 7 9.581 1.103 -10.026 1.00 33.11 H new ATOM 0 HB THR A 7 11.114 2.247 -8.105 1.00 32.31 H new ATOM 0 HG1 THR A 7 11.136 -0.355 -7.078 1.00 61.11 H new ATOM 0 HG21 THR A 7 9.492 1.383 -6.459 1.00 53.20 H new ATOM 0 HG22 THR A 7 8.695 1.870 -7.974 1.00 53.20 H new ATOM 0 HG23 THR A 7 8.971 0.146 -7.628 1.00 53.20 H new ATOM 106 N CYS A 8 12.157 1.253 -11.537 1.00 20.45 N ATOM 107 CA CYS A 8 13.090 2.003 -12.369 1.00 31.14 C ATOM 108 C CYS A 8 12.833 1.737 -13.849 1.00 65.31 C ATOM 109 O CYS A 8 12.289 0.696 -14.218 1.00 44.51 O ATOM 110 CB CYS A 8 14.532 1.634 -12.015 1.00 31.41 C ATOM 111 SG CYS A 8 15.740 2.956 -12.345 1.00 4.10 S ATOM 0 H CYS A 8 12.014 0.287 -11.831 1.00 20.45 H new ATOM 0 HA CYS A 8 12.937 3.065 -12.177 1.00 31.14 H new ATOM 0 HB2 CYS A 8 14.579 1.369 -10.959 1.00 31.41 H new ATOM 0 HB3 CYS A 8 14.818 0.746 -12.579 1.00 31.41 H new ATOM 116 N ALA A 9 13.230 2.685 -14.692 1.00 72.53 N ATOM 117 CA ALA A 9 13.045 2.552 -16.132 1.00 64.11 C ATOM 118 C ALA A 9 13.999 1.514 -16.714 1.00 73.23 C ATOM 119 O ALA A 9 13.760 0.975 -17.795 1.00 53.02 O ATOM 120 CB ALA A 9 13.245 3.896 -16.816 1.00 12.53 C ATOM 0 H ALA A 9 13.681 3.553 -14.403 1.00 72.53 H new ATOM 0 HA ALA A 9 12.025 2.213 -16.313 1.00 64.11 H new ATOM 0 HB1 ALA A 9 13.104 3.782 -17.891 1.00 12.53 H new ATOM 0 HB2 ALA A 9 12.521 4.613 -16.429 1.00 12.53 H new ATOM 0 HB3 ALA A 9 14.254 4.258 -16.619 1.00 12.53 H new ATOM 126 N ARG A 10 15.079 1.238 -15.992 1.00 4.44 N ATOM 127 CA ARG A 10 16.070 0.266 -16.438 1.00 13.00 C ATOM 128 C ARG A 10 15.790 -1.109 -15.838 1.00 62.04 C ATOM 129 O ARG A 10 16.696 -1.929 -15.691 1.00 43.44 O ATOM 130 CB ARG A 10 17.477 0.726 -16.053 1.00 30.34 C ATOM 131 CG ARG A 10 17.733 2.199 -16.326 1.00 72.22 C ATOM 132 CD ARG A 10 17.679 2.506 -17.815 1.00 4.45 C ATOM 133 NE ARG A 10 18.844 3.268 -18.258 1.00 53.41 N ATOM 134 CZ ARG A 10 19.062 3.606 -19.524 1.00 41.30 C ATOM 135 NH1 ARG A 10 18.200 3.252 -20.467 1.00 34.25 N ATOM 136 NH2 ARG A 10 20.145 4.301 -19.849 1.00 70.32 N ATOM 0 H ARG A 10 15.291 1.674 -15.095 1.00 4.44 H new ATOM 0 HA ARG A 10 16.005 0.190 -17.523 1.00 13.00 H new ATOM 0 HB2 ARG A 10 17.637 0.529 -14.993 1.00 30.34 H new ATOM 0 HB3 ARG A 10 18.207 0.131 -16.602 1.00 30.34 H new ATOM 0 HG2 ARG A 10 16.991 2.802 -15.802 1.00 72.22 H new ATOM 0 HG3 ARG A 10 18.709 2.479 -15.930 1.00 72.22 H new ATOM 0 HD2 ARG A 10 17.621 1.573 -18.376 1.00 4.45 H new ATOM 0 HD3 ARG A 10 16.772 3.068 -18.037 1.00 4.45 H new ATOM 0 HE ARG A 10 19.527 3.556 -17.557 1.00 53.41 H new ATOM 0 HH11 ARG A 10 17.366 2.718 -20.221 1.00 34.25 H new ATOM 0 HH12 ARG A 10 18.371 3.513 -21.438 1.00 34.25 H new ATOM 0 HH21 ARG A 10 20.810 4.576 -19.126 1.00 70.32 H new ATOM 0 HH22 ARG A 10 20.312 4.560 -20.821 1.00 70.32 H new ATOM 150 N MET A 11 14.530 -1.354 -15.494 1.00 1.51 N ATOM 151 CA MET A 11 14.132 -2.629 -14.911 1.00 35.51 C ATOM 152 C MET A 11 13.764 -3.633 -15.999 1.00 74.11 C ATOM 153 O MET A 11 14.454 -4.634 -16.192 1.00 73.14 O ATOM 154 CB MET A 11 12.949 -2.433 -13.961 1.00 34.11 C ATOM 155 CG MET A 11 12.536 -3.702 -13.233 1.00 62.54 C ATOM 156 SD MET A 11 11.070 -4.468 -13.950 1.00 35.41 S ATOM 157 CE MET A 11 11.314 -6.178 -13.475 1.00 12.15 C ATOM 0 H MET A 11 13.768 -0.686 -15.609 1.00 1.51 H new ATOM 0 HA MET A 11 14.979 -3.023 -14.349 1.00 35.51 H new ATOM 0 HB2 MET A 11 13.206 -1.670 -13.226 1.00 34.11 H new ATOM 0 HB3 MET A 11 12.098 -2.056 -14.527 1.00 34.11 H new ATOM 0 HG2 MET A 11 13.361 -4.414 -13.255 1.00 62.54 H new ATOM 0 HG3 MET A 11 12.344 -3.469 -12.186 1.00 62.54 H new ATOM 0 HE1 MET A 11 10.486 -6.781 -13.847 1.00 12.15 H new ATOM 0 HE2 MET A 11 12.249 -6.544 -13.900 1.00 12.15 H new ATOM 0 HE3 MET A 11 11.356 -6.251 -12.388 1.00 12.15 H new ATOM 167 N ASP A 12 12.673 -3.359 -16.706 1.00 40.33 N ATOM 168 CA ASP A 12 12.214 -4.238 -17.776 1.00 1.43 C ATOM 169 C ASP A 12 11.343 -3.475 -18.769 1.00 61.24 C ATOM 170 O ASP A 12 11.417 -3.702 -19.977 1.00 43.42 O ATOM 171 CB ASP A 12 11.434 -5.418 -17.195 1.00 54.12 C ATOM 172 CG ASP A 12 11.361 -6.591 -18.153 1.00 30.02 C ATOM 173 OD1 ASP A 12 12.418 -7.194 -18.435 1.00 1.33 O ATOM 174 OD2 ASP A 12 10.247 -6.907 -18.620 1.00 31.13 O ATOM 0 H ASP A 12 12.090 -2.535 -16.558 1.00 40.33 H new ATOM 0 HA ASP A 12 13.089 -4.616 -18.304 1.00 1.43 H new ATOM 0 HB2 ASP A 12 11.906 -5.740 -16.266 1.00 54.12 H new ATOM 0 HB3 ASP A 12 10.424 -5.094 -16.944 1.00 54.12 H new ATOM 179 N VAL A 13 10.517 -2.571 -18.253 1.00 32.35 N ATOM 180 CA VAL A 13 9.631 -1.775 -19.094 1.00 23.30 C ATOM 181 C VAL A 13 10.110 -0.331 -19.184 1.00 4.21 C ATOM 182 O VAL A 13 9.756 0.519 -18.367 1.00 13.03 O ATOM 183 CB VAL A 13 8.186 -1.793 -18.562 1.00 71.13 C ATOM 184 CG1 VAL A 13 7.522 -3.128 -18.865 1.00 11.22 C ATOM 185 CG2 VAL A 13 8.164 -1.504 -17.069 1.00 4.01 C ATOM 0 H VAL A 13 10.443 -2.371 -17.255 1.00 32.35 H new ATOM 0 HA VAL A 13 9.650 -2.224 -20.087 1.00 23.30 H new ATOM 0 HB VAL A 13 7.621 -1.010 -19.068 1.00 71.13 H new ATOM 0 HG11 VAL A 13 6.502 -3.122 -18.482 1.00 11.22 H new ATOM 0 HG12 VAL A 13 7.504 -3.289 -19.943 1.00 11.22 H new ATOM 0 HG13 VAL A 13 8.084 -3.931 -18.388 1.00 11.22 H new ATOM 0 HG21 VAL A 13 7.135 -1.521 -16.710 1.00 4.01 H new ATOM 0 HG22 VAL A 13 8.744 -2.262 -16.543 1.00 4.01 H new ATOM 0 HG23 VAL A 13 8.597 -0.521 -16.882 1.00 4.01 H new ATOM 195 N PRO A 14 10.936 -0.044 -20.201 1.00 41.51 N ATOM 196 CA PRO A 14 11.481 1.299 -20.423 1.00 42.02 C ATOM 197 C PRO A 14 10.415 2.289 -20.880 1.00 44.21 C ATOM 198 O PRO A 14 10.667 3.492 -20.961 1.00 75.15 O ATOM 199 CB PRO A 14 12.519 1.082 -21.528 1.00 15.31 C ATOM 200 CG PRO A 14 12.055 -0.136 -22.249 1.00 53.34 C ATOM 201 CD PRO A 14 11.401 -1.007 -21.213 1.00 73.11 C ATOM 0 HA PRO A 14 11.894 1.728 -19.510 1.00 42.02 H new ATOM 0 HB2 PRO A 14 12.572 1.942 -22.196 1.00 15.31 H new ATOM 0 HB3 PRO A 14 13.516 0.940 -21.112 1.00 15.31 H new ATOM 0 HG2 PRO A 14 11.352 0.123 -23.041 1.00 53.34 H new ATOM 0 HG3 PRO A 14 12.891 -0.652 -22.721 1.00 53.34 H new ATOM 0 HD2 PRO A 14 10.574 -1.579 -21.633 1.00 73.11 H new ATOM 0 HD3 PRO A 14 12.103 -1.726 -20.791 1.00 73.11 H new ATOM 209 N ILE A 15 9.226 1.776 -21.176 1.00 41.25 N ATOM 210 CA ILE A 15 8.122 2.617 -21.624 1.00 22.55 C ATOM 211 C ILE A 15 7.848 3.739 -20.628 1.00 72.05 C ATOM 212 O ILE A 15 7.421 3.492 -19.500 1.00 13.43 O ATOM 213 CB ILE A 15 6.834 1.796 -21.822 1.00 63.51 C ATOM 214 CG1 ILE A 15 7.086 0.637 -22.789 1.00 41.14 C ATOM 215 CG2 ILE A 15 5.712 2.686 -22.334 1.00 42.13 C ATOM 216 CD1 ILE A 15 7.268 -0.697 -22.100 1.00 75.10 C ATOM 0 H ILE A 15 9.002 0.783 -21.114 1.00 41.25 H new ATOM 0 HA ILE A 15 8.420 3.047 -22.580 1.00 22.55 H new ATOM 0 HB ILE A 15 6.532 1.383 -20.860 1.00 63.51 H new ATOM 0 HG12 ILE A 15 6.250 0.566 -23.484 1.00 41.14 H new ATOM 0 HG13 ILE A 15 7.975 0.855 -23.381 1.00 41.14 H new ATOM 0 HG21 ILE A 15 4.809 2.091 -22.469 1.00 42.13 H new ATOM 0 HG22 ILE A 15 5.519 3.480 -21.612 1.00 42.13 H new ATOM 0 HG23 ILE A 15 6.003 3.126 -23.288 1.00 42.13 H new ATOM 0 HD11 ILE A 15 7.442 -1.471 -22.847 1.00 75.10 H new ATOM 0 HD12 ILE A 15 8.123 -0.644 -21.425 1.00 75.10 H new ATOM 0 HD13 ILE A 15 6.370 -0.938 -21.530 1.00 75.10 H new ATOM 228 N LEU A 16 8.094 4.973 -21.054 1.00 61.14 N ATOM 229 CA LEU A 16 7.872 6.135 -20.202 1.00 12.44 C ATOM 230 C LEU A 16 8.762 6.081 -18.964 1.00 34.21 C ATOM 231 O LEU A 16 8.317 5.694 -17.883 1.00 1.54 O ATOM 232 CB LEU A 16 6.402 6.213 -19.784 1.00 62.22 C ATOM 233 CG LEU A 16 5.526 7.175 -20.587 1.00 42.11 C ATOM 234 CD1 LEU A 16 4.127 6.605 -20.761 1.00 62.41 C ATOM 235 CD2 LEU A 16 5.469 8.536 -19.909 1.00 14.12 C ATOM 0 H LEU A 16 8.447 5.194 -21.985 1.00 61.14 H new ATOM 0 HA LEU A 16 8.129 7.027 -20.773 1.00 12.44 H new ATOM 0 HB2 LEU A 16 5.971 5.214 -19.856 1.00 62.22 H new ATOM 0 HB3 LEU A 16 6.358 6.504 -18.734 1.00 62.22 H new ATOM 0 HG LEU A 16 5.969 7.301 -21.575 1.00 42.11 H new ATOM 0 HD11 LEU A 16 3.518 7.304 -21.335 1.00 62.41 H new ATOM 0 HD12 LEU A 16 4.185 5.654 -21.291 1.00 62.41 H new ATOM 0 HD13 LEU A 16 3.674 6.448 -19.782 1.00 62.41 H new ATOM 0 HD21 LEU A 16 4.841 9.208 -20.494 1.00 14.12 H new ATOM 0 HD22 LEU A 16 5.050 8.427 -18.909 1.00 14.12 H new ATOM 0 HD23 LEU A 16 6.475 8.949 -19.838 1.00 14.12 H new ATOM 247 N LYS A 17 10.021 6.472 -19.129 1.00 15.20 N ATOM 248 CA LYS A 17 10.973 6.472 -18.025 1.00 64.23 C ATOM 249 C LYS A 17 10.458 7.312 -16.861 1.00 71.22 C ATOM 250 O LYS A 17 10.645 6.959 -15.697 1.00 2.15 O ATOM 251 CB LYS A 17 12.328 7.007 -18.494 1.00 2.40 C ATOM 252 CG LYS A 17 12.866 6.304 -19.728 1.00 42.53 C ATOM 253 CD LYS A 17 14.311 5.874 -19.539 1.00 61.34 C ATOM 254 CE LYS A 17 14.740 4.877 -20.606 1.00 15.24 C ATOM 255 NZ LYS A 17 15.610 5.508 -21.636 1.00 64.40 N ATOM 0 H LYS A 17 10.406 6.793 -20.017 1.00 15.20 H new ATOM 0 HA LYS A 17 11.093 5.444 -17.682 1.00 64.23 H new ATOM 0 HB2 LYS A 17 12.235 8.072 -18.705 1.00 2.40 H new ATOM 0 HB3 LYS A 17 13.050 6.904 -17.684 1.00 2.40 H new ATOM 0 HG2 LYS A 17 12.251 5.431 -19.948 1.00 42.53 H new ATOM 0 HG3 LYS A 17 12.793 6.970 -20.588 1.00 42.53 H new ATOM 0 HD2 LYS A 17 14.960 6.749 -19.575 1.00 61.34 H new ATOM 0 HD3 LYS A 17 14.433 5.427 -18.552 1.00 61.34 H new ATOM 0 HE2 LYS A 17 15.273 4.050 -20.137 1.00 15.24 H new ATOM 0 HE3 LYS A 17 13.857 4.455 -21.085 1.00 15.24 H new ATOM 0 HZ1 LYS A 17 15.881 4.797 -22.345 1.00 64.40 H new ATOM 0 HZ2 LYS A 17 15.093 6.281 -22.101 1.00 64.40 H new ATOM 0 HZ3 LYS A 17 16.465 5.888 -21.182 1.00 64.40 H new ATOM 269 N LYS A 18 9.806 8.424 -17.183 1.00 44.21 N ATOM 270 CA LYS A 18 9.261 9.314 -16.165 1.00 32.22 C ATOM 271 C LYS A 18 8.338 8.554 -15.217 1.00 2.43 C ATOM 272 O LYS A 18 8.302 8.830 -14.018 1.00 14.20 O ATOM 273 CB LYS A 18 8.498 10.467 -16.821 1.00 60.22 C ATOM 274 CG LYS A 18 9.341 11.713 -17.030 1.00 30.10 C ATOM 275 CD LYS A 18 8.776 12.902 -16.271 1.00 70.12 C ATOM 276 CE LYS A 18 7.952 13.802 -17.179 1.00 41.11 C ATOM 277 NZ LYS A 18 8.335 15.234 -17.036 1.00 13.13 N ATOM 0 H LYS A 18 9.642 8.730 -18.142 1.00 44.21 H new ATOM 0 HA LYS A 18 10.093 9.719 -15.589 1.00 32.22 H new ATOM 0 HB2 LYS A 18 8.111 10.134 -17.784 1.00 60.22 H new ATOM 0 HB3 LYS A 18 7.637 10.720 -16.202 1.00 60.22 H new ATOM 0 HG2 LYS A 18 10.362 11.522 -16.701 1.00 30.10 H new ATOM 0 HG3 LYS A 18 9.388 11.948 -18.093 1.00 30.10 H new ATOM 0 HD2 LYS A 18 8.156 12.548 -15.448 1.00 70.12 H new ATOM 0 HD3 LYS A 18 9.592 13.476 -15.832 1.00 70.12 H new ATOM 0 HE2 LYS A 18 8.085 13.492 -18.215 1.00 41.11 H new ATOM 0 HE3 LYS A 18 6.894 13.684 -16.945 1.00 41.11 H new ATOM 0 HZ1 LYS A 18 7.751 15.815 -17.671 1.00 13.13 H new ATOM 0 HZ2 LYS A 18 8.184 15.537 -16.053 1.00 13.13 H new ATOM 0 HZ3 LYS A 18 9.338 15.352 -17.284 1.00 13.13 H new ATOM 291 N ALA A 19 7.596 7.597 -15.762 1.00 35.41 N ATOM 292 CA ALA A 19 6.676 6.795 -14.964 1.00 10.43 C ATOM 293 C ALA A 19 7.429 5.952 -13.940 1.00 12.41 C ATOM 294 O ALA A 19 7.054 5.901 -12.769 1.00 25.32 O ATOM 295 CB ALA A 19 5.832 5.906 -15.865 1.00 23.23 C ATOM 0 H ALA A 19 7.613 7.357 -16.753 1.00 35.41 H new ATOM 0 HA ALA A 19 6.017 7.474 -14.423 1.00 10.43 H new ATOM 0 HB1 ALA A 19 5.150 5.313 -15.256 1.00 23.23 H new ATOM 0 HB2 ALA A 19 5.258 6.526 -16.553 1.00 23.23 H new ATOM 0 HB3 ALA A 19 6.483 5.241 -16.433 1.00 23.23 H new ATOM 301 N ALA A 20 8.491 5.293 -14.390 1.00 23.12 N ATOM 302 CA ALA A 20 9.297 4.453 -13.512 1.00 42.32 C ATOM 303 C ALA A 20 10.004 5.289 -12.450 1.00 62.34 C ATOM 304 O ALA A 20 10.002 4.939 -11.270 1.00 41.05 O ATOM 305 CB ALA A 20 10.311 3.661 -14.324 1.00 71.05 C ATOM 0 H ALA A 20 8.814 5.324 -15.357 1.00 23.12 H new ATOM 0 HA ALA A 20 8.630 3.756 -13.004 1.00 42.32 H new ATOM 0 HB1 ALA A 20 10.906 3.038 -13.656 1.00 71.05 H new ATOM 0 HB2 ALA A 20 9.788 3.028 -15.041 1.00 71.05 H new ATOM 0 HB3 ALA A 20 10.966 4.349 -14.858 1.00 71.05 H new ATOM 311 N GLN A 21 10.608 6.393 -12.878 1.00 21.21 N ATOM 312 CA GLN A 21 11.320 7.277 -11.963 1.00 23.33 C ATOM 313 C GLN A 21 10.361 7.910 -10.960 1.00 71.33 C ATOM 314 O GLN A 21 10.742 8.221 -9.833 1.00 33.45 O ATOM 315 CB GLN A 21 12.055 8.368 -12.743 1.00 1.23 C ATOM 316 CG GLN A 21 13.554 8.137 -12.847 1.00 51.04 C ATOM 317 CD GLN A 21 14.200 8.978 -13.930 1.00 51.35 C ATOM 318 OE1 GLN A 21 14.646 10.098 -13.680 1.00 14.54 O ATOM 319 NE2 GLN A 21 14.254 8.442 -15.144 1.00 24.41 N ATOM 0 H GLN A 21 10.618 6.696 -13.852 1.00 21.21 H new ATOM 0 HA GLN A 21 12.048 6.680 -11.414 1.00 23.33 H new ATOM 0 HB2 GLN A 21 11.635 8.431 -13.747 1.00 1.23 H new ATOM 0 HB3 GLN A 21 11.877 9.330 -12.262 1.00 1.23 H new ATOM 0 HG2 GLN A 21 14.020 8.365 -11.889 1.00 51.04 H new ATOM 0 HG3 GLN A 21 13.742 7.083 -13.050 1.00 51.04 H new ATOM 0 HE21 GLN A 21 13.872 7.510 -15.308 1.00 24.41 H new ATOM 0 HE22 GLN A 21 14.677 8.962 -15.913 1.00 24.41 H new ATOM 328 N GLY A 22 9.113 8.098 -11.380 1.00 44.31 N ATOM 329 CA GLY A 22 8.119 8.694 -10.507 1.00 30.11 C ATOM 330 C GLY A 22 7.981 7.951 -9.193 1.00 64.20 C ATOM 331 O GLY A 22 7.633 8.542 -8.170 1.00 72.02 O ATOM 0 H GLY A 22 8.773 7.848 -12.309 1.00 44.31 H new ATOM 0 HA2 GLY A 22 8.390 9.731 -10.308 1.00 30.11 H new ATOM 0 HA3 GLY A 22 7.155 8.708 -11.016 1.00 30.11 H new ATOM 335 N LEU A 23 8.254 6.651 -9.219 1.00 72.22 N ATOM 336 CA LEU A 23 8.157 5.825 -8.021 1.00 20.42 C ATOM 337 C LEU A 23 9.313 6.110 -7.068 1.00 1.24 C ATOM 338 O LEU A 23 9.446 5.468 -6.026 1.00 21.43 O ATOM 339 CB LEU A 23 8.147 4.342 -8.399 1.00 1.41 C ATOM 340 CG LEU A 23 7.140 3.931 -9.474 1.00 24.43 C ATOM 341 CD1 LEU A 23 7.049 2.415 -9.567 1.00 43.42 C ATOM 342 CD2 LEU A 23 5.773 4.532 -9.182 1.00 63.04 C ATOM 0 H LEU A 23 8.544 6.146 -10.057 1.00 72.22 H new ATOM 0 HA LEU A 23 7.224 6.071 -7.515 1.00 20.42 H new ATOM 0 HB2 LEU A 23 9.145 4.068 -8.740 1.00 1.41 H new ATOM 0 HB3 LEU A 23 7.946 3.760 -7.500 1.00 1.41 H new ATOM 0 HG LEU A 23 7.485 4.314 -10.434 1.00 24.43 H new ATOM 0 HD11 LEU A 23 6.328 2.140 -10.337 1.00 43.42 H new ATOM 0 HD12 LEU A 23 8.027 2.007 -9.823 1.00 43.42 H new ATOM 0 HD13 LEU A 23 6.727 2.010 -8.607 1.00 43.42 H new ATOM 0 HD21 LEU A 23 5.069 4.229 -9.957 1.00 63.04 H new ATOM 0 HD22 LEU A 23 5.420 4.179 -8.213 1.00 63.04 H new ATOM 0 HD23 LEU A 23 5.849 5.619 -9.166 1.00 63.04 H new ATOM 354 N CYS A 24 10.146 7.080 -7.430 1.00 64.33 N ATOM 355 CA CYS A 24 11.291 7.453 -6.607 1.00 75.15 C ATOM 356 C CYS A 24 11.212 8.922 -6.201 1.00 21.53 C ATOM 357 O CYS A 24 11.310 9.255 -5.019 1.00 73.13 O ATOM 358 CB CYS A 24 12.595 7.190 -7.362 1.00 42.32 C ATOM 359 SG CYS A 24 13.734 6.055 -6.506 1.00 11.00 S ATOM 0 H CYS A 24 10.050 7.622 -8.288 1.00 64.33 H new ATOM 0 HA CYS A 24 11.273 6.843 -5.704 1.00 75.15 H new ATOM 0 HB2 CYS A 24 12.358 6.778 -8.343 1.00 42.32 H new ATOM 0 HB3 CYS A 24 13.103 8.140 -7.530 1.00 42.32 H new ATOM 364 N ILE A 25 11.035 9.794 -7.187 1.00 2.10 N ATOM 365 CA ILE A 25 10.942 11.226 -6.932 1.00 3.23 C ATOM 366 C ILE A 25 9.683 11.563 -6.140 1.00 61.02 C ATOM 367 O ILE A 25 9.733 12.303 -5.157 1.00 20.31 O ATOM 368 CB ILE A 25 10.942 12.033 -8.244 1.00 35.04 C ATOM 369 CG1 ILE A 25 12.223 11.762 -9.035 1.00 12.41 C ATOM 370 CG2 ILE A 25 10.797 13.519 -7.951 1.00 53.05 C ATOM 371 CD1 ILE A 25 12.067 10.688 -10.088 1.00 21.41 C ATOM 0 H ILE A 25 10.953 9.534 -8.170 1.00 2.10 H new ATOM 0 HA ILE A 25 11.820 11.500 -6.347 1.00 3.23 H new ATOM 0 HB ILE A 25 10.092 11.717 -8.848 1.00 35.04 H new ATOM 0 HG12 ILE A 25 12.546 12.686 -9.515 1.00 12.41 H new ATOM 0 HG13 ILE A 25 13.013 11.469 -8.343 1.00 12.41 H new ATOM 0 HG21 ILE A 25 10.799 14.076 -8.888 1.00 53.05 H new ATOM 0 HG22 ILE A 25 9.859 13.696 -7.425 1.00 53.05 H new ATOM 0 HG23 ILE A 25 11.629 13.850 -7.330 1.00 53.05 H new ATOM 0 HD11 ILE A 25 13.014 10.549 -10.609 1.00 21.41 H new ATOM 0 HD12 ILE A 25 11.774 9.752 -9.612 1.00 21.41 H new ATOM 0 HD13 ILE A 25 11.300 10.988 -10.803 1.00 21.41 H new ATOM 383 N THR A 26 8.553 11.013 -6.574 1.00 50.54 N ATOM 384 CA THR A 26 7.280 11.254 -5.907 1.00 2.53 C ATOM 385 C THR A 26 7.178 10.454 -4.613 1.00 54.24 C ATOM 386 O THR A 26 6.633 10.932 -3.618 1.00 60.02 O ATOM 387 CB THR A 26 6.091 10.893 -6.817 1.00 21.44 C ATOM 388 OG1 THR A 26 5.385 12.080 -7.196 1.00 24.53 O ATOM 389 CG2 THR A 26 5.142 9.935 -6.112 1.00 11.43 C ATOM 0 H THR A 26 8.494 10.397 -7.385 1.00 50.54 H new ATOM 0 HA THR A 26 7.240 12.319 -5.677 1.00 2.53 H new ATOM 0 HB THR A 26 6.481 10.403 -7.709 1.00 21.44 H new ATOM 0 HG1 THR A 26 4.632 11.842 -7.776 1.00 24.53 H new ATOM 0 HG21 THR A 26 4.310 9.694 -6.774 1.00 11.43 H new ATOM 0 HG22 THR A 26 5.675 9.021 -5.852 1.00 11.43 H new ATOM 0 HG23 THR A 26 4.760 10.403 -5.205 1.00 11.43 H new ATOM 397 N SER A 27 7.705 9.234 -4.634 1.00 51.33 N ATOM 398 CA SER A 27 7.670 8.366 -3.463 1.00 53.12 C ATOM 399 C SER A 27 8.404 9.007 -2.290 1.00 0.05 C ATOM 400 O SER A 27 8.060 8.781 -1.129 1.00 3.32 O ATOM 401 CB SER A 27 8.294 7.008 -3.790 1.00 10.11 C ATOM 402 OG SER A 27 7.732 5.983 -2.990 1.00 34.41 O ATOM 0 H SER A 27 8.161 8.824 -5.449 1.00 51.33 H new ATOM 0 HA SER A 27 6.628 8.220 -3.180 1.00 53.12 H new ATOM 0 HB2 SER A 27 8.139 6.777 -4.844 1.00 10.11 H new ATOM 0 HB3 SER A 27 9.371 7.051 -3.628 1.00 10.11 H new ATOM 0 HG SER A 27 7.454 5.237 -3.562 1.00 34.41 H new ATOM 408 N CYS A 28 9.418 9.808 -2.600 1.00 72.14 N ATOM 409 CA CYS A 28 10.203 10.482 -1.574 1.00 12.44 C ATOM 410 C CYS A 28 9.403 11.613 -0.932 1.00 70.24 C ATOM 411 O CYS A 28 9.420 11.785 0.286 1.00 12.42 O ATOM 412 CB CYS A 28 11.498 11.035 -2.173 1.00 15.02 C ATOM 413 SG CYS A 28 13.009 10.472 -1.325 1.00 14.50 S ATOM 0 H CYS A 28 9.715 10.006 -3.555 1.00 72.14 H new ATOM 0 HA CYS A 28 10.450 9.752 -0.803 1.00 12.44 H new ATOM 0 HB2 CYS A 28 11.553 10.745 -3.222 1.00 15.02 H new ATOM 0 HB3 CYS A 28 11.463 12.124 -2.145 1.00 15.02 H new ATOM 418 N SER A 29 8.703 12.380 -1.762 1.00 63.14 N ATOM 419 CA SER A 29 7.900 13.496 -1.278 1.00 32.03 C ATOM 420 C SER A 29 6.896 13.028 -0.228 1.00 64.41 C ATOM 421 O SER A 29 6.556 13.768 0.694 1.00 34.42 O ATOM 422 CB SER A 29 7.164 14.165 -2.440 1.00 50.02 C ATOM 423 OG SER A 29 6.972 15.547 -2.194 1.00 40.44 O ATOM 0 H SER A 29 8.676 12.249 -2.773 1.00 63.14 H new ATOM 0 HA SER A 29 8.571 14.221 -0.817 1.00 32.03 H new ATOM 0 HB2 SER A 29 7.733 14.032 -3.360 1.00 50.02 H new ATOM 0 HB3 SER A 29 6.199 13.682 -2.590 1.00 50.02 H new ATOM 0 HG SER A 29 6.501 15.952 -2.952 1.00 40.44 H new ATOM 429 N MET A 30 6.427 11.793 -0.377 1.00 3.03 N ATOM 430 CA MET A 30 5.464 11.224 0.559 1.00 53.43 C ATOM 431 C MET A 30 6.126 10.905 1.895 1.00 3.40 C ATOM 432 O MET A 30 5.448 10.710 2.903 1.00 74.33 O ATOM 433 CB MET A 30 4.837 9.958 -0.028 1.00 40.23 C ATOM 434 CG MET A 30 4.510 10.072 -1.508 1.00 55.13 C ATOM 435 SD MET A 30 2.880 9.413 -1.912 1.00 4.21 S ATOM 436 CE MET A 30 2.343 10.579 -3.161 1.00 4.54 C ATOM 0 H MET A 30 6.698 11.168 -1.136 1.00 3.03 H new ATOM 0 HA MET A 30 4.681 11.963 0.730 1.00 53.43 H new ATOM 0 HB2 MET A 30 5.520 9.121 0.122 1.00 40.23 H new ATOM 0 HB3 MET A 30 3.924 9.727 0.521 1.00 40.23 H new ATOM 0 HG2 MET A 30 4.559 11.119 -1.807 1.00 55.13 H new ATOM 0 HG3 MET A 30 5.266 9.540 -2.085 1.00 55.13 H new ATOM 0 HE1 MET A 30 1.778 10.053 -3.931 1.00 4.54 H new ATOM 0 HE2 MET A 30 1.710 11.338 -2.702 1.00 4.54 H new ATOM 0 HE3 MET A 30 3.213 11.056 -3.611 1.00 4.54 H new ATOM 446 N GLN A 31 7.454 10.854 1.895 1.00 45.43 N ATOM 447 CA GLN A 31 8.207 10.558 3.108 1.00 63.13 C ATOM 448 C GLN A 31 8.897 11.810 3.640 1.00 31.21 C ATOM 449 O GLN A 31 9.842 11.724 4.423 1.00 12.01 O ATOM 450 CB GLN A 31 9.244 9.467 2.836 1.00 62.32 C ATOM 451 CG GLN A 31 8.885 8.563 1.667 1.00 15.42 C ATOM 452 CD GLN A 31 9.400 7.149 1.843 1.00 61.41 C ATOM 453 OE1 GLN A 31 10.452 6.789 1.314 1.00 24.13 O ATOM 454 NE2 GLN A 31 8.660 6.337 2.589 1.00 71.11 N ATOM 0 H GLN A 31 8.031 11.014 1.069 1.00 45.43 H new ATOM 0 HA GLN A 31 7.506 10.203 3.863 1.00 63.13 H new ATOM 0 HB2 GLN A 31 10.208 9.935 2.639 1.00 62.32 H new ATOM 0 HB3 GLN A 31 9.362 8.858 3.732 1.00 62.32 H new ATOM 0 HG2 GLN A 31 7.801 8.539 1.551 1.00 15.42 H new ATOM 0 HG3 GLN A 31 9.295 8.983 0.749 1.00 15.42 H new ATOM 0 HE21 GLN A 31 7.795 6.677 3.009 1.00 71.11 H new ATOM 0 HE22 GLN A 31 8.957 5.373 2.742 1.00 71.11 H new ATOM 463 N ASN A 32 8.418 12.972 3.209 1.00 14.11 N ATOM 464 CA ASN A 32 8.989 14.242 3.642 1.00 51.21 C ATOM 465 C ASN A 32 10.420 14.395 3.136 1.00 2.24 C ATOM 466 O ASN A 32 11.295 14.883 3.853 1.00 32.21 O ATOM 467 CB ASN A 32 8.962 14.344 5.168 1.00 34.33 C ATOM 468 CG ASN A 32 8.793 15.772 5.650 1.00 72.22 C ATOM 469 OD1 ASN A 32 9.772 16.464 5.931 1.00 75.25 O ATOM 470 ND2 ASN A 32 7.546 16.219 5.748 1.00 44.52 N ATOM 0 H ASN A 32 7.636 13.061 2.560 1.00 14.11 H new ATOM 0 HA ASN A 32 8.385 15.046 3.221 1.00 51.21 H new ATOM 0 HB2 ASN A 32 8.146 13.734 5.556 1.00 34.33 H new ATOM 0 HB3 ASN A 32 9.887 13.934 5.573 1.00 34.33 H new ATOM 0 HD21 ASN A 32 7.369 17.172 6.067 1.00 44.52 H new ATOM 0 HD22 ASN A 32 6.765 15.610 5.504 1.00 44.52 H new ATOM 477 N CYS A 33 10.652 13.976 1.897 1.00 61.10 N ATOM 478 CA CYS A 33 11.976 14.066 1.294 1.00 64.21 C ATOM 479 C CYS A 33 12.010 15.143 0.214 1.00 41.04 C ATOM 480 O CYS A 33 11.040 15.874 0.021 1.00 51.42 O ATOM 481 CB CYS A 33 12.380 12.716 0.697 1.00 44.42 C ATOM 482 SG CYS A 33 12.674 11.413 1.935 1.00 3.34 S ATOM 0 H CYS A 33 9.939 13.570 1.290 1.00 61.10 H new ATOM 0 HA CYS A 33 12.686 14.338 2.075 1.00 64.21 H new ATOM 0 HB2 CYS A 33 11.598 12.384 0.015 1.00 44.42 H new ATOM 0 HB3 CYS A 33 13.285 12.849 0.104 1.00 44.42 H new ATOM 487 N GLY A 34 13.135 15.234 -0.489 1.00 5.01 N ATOM 488 CA GLY A 34 13.275 16.224 -1.541 1.00 22.21 C ATOM 489 C GLY A 34 13.220 15.610 -2.926 1.00 33.13 C ATOM 490 O GLY A 34 12.380 15.982 -3.746 1.00 13.33 O ATOM 0 H GLY A 34 13.952 14.640 -0.349 1.00 5.01 H new ATOM 0 HA2 GLY A 34 12.483 16.967 -1.444 1.00 22.21 H new ATOM 0 HA3 GLY A 34 14.222 16.750 -1.417 1.00 22.21 H new ATOM 494 N THR A 35 14.118 14.666 -3.190 1.00 3.34 N ATOM 495 CA THR A 35 14.170 14.001 -4.485 1.00 44.44 C ATOM 496 C THR A 35 14.591 12.544 -4.339 1.00 30.41 C ATOM 497 O THR A 35 14.822 12.062 -3.231 1.00 0.45 O ATOM 498 CB THR A 35 15.146 14.712 -5.442 1.00 63.35 C ATOM 499 OG1 THR A 35 14.950 14.241 -6.780 1.00 62.24 O ATOM 500 CG2 THR A 35 16.588 14.472 -5.021 1.00 62.22 C ATOM 0 H THR A 35 14.820 14.345 -2.523 1.00 3.34 H new ATOM 0 HA THR A 35 13.164 14.045 -4.903 1.00 44.44 H new ATOM 0 HB THR A 35 14.945 15.783 -5.401 1.00 63.35 H new ATOM 0 HG1 THR A 35 15.573 14.699 -7.382 1.00 62.24 H new ATOM 0 HG21 THR A 35 17.259 14.984 -5.711 1.00 62.22 H new ATOM 0 HG22 THR A 35 16.742 14.858 -4.013 1.00 62.22 H new ATOM 0 HG23 THR A 35 16.798 13.403 -5.036 1.00 62.22 H new ATOM 508 N GLY A 36 14.689 11.844 -5.466 1.00 2.43 N ATOM 509 CA GLY A 36 15.083 10.448 -5.440 1.00 72.23 C ATOM 510 C GLY A 36 15.370 9.901 -6.825 1.00 1.15 C ATOM 511 O GLY A 36 14.555 10.042 -7.736 1.00 63.14 O ATOM 0 H GLY A 36 14.502 12.219 -6.396 1.00 2.43 H new ATOM 0 HA2 GLY A 36 15.970 10.336 -4.817 1.00 72.23 H new ATOM 0 HA3 GLY A 36 14.292 9.859 -4.977 1.00 72.23 H new ATOM 515 N SER A 37 16.533 9.277 -6.983 1.00 72.20 N ATOM 516 CA SER A 37 16.928 8.712 -8.268 1.00 22.11 C ATOM 517 C SER A 37 17.127 7.203 -8.160 1.00 2.13 C ATOM 518 O SER A 37 17.582 6.697 -7.134 1.00 23.05 O ATOM 519 CB SER A 37 18.215 9.373 -8.765 1.00 41.13 C ATOM 520 OG SER A 37 18.184 9.557 -10.170 1.00 53.20 O ATOM 0 H SER A 37 17.218 9.150 -6.238 1.00 72.20 H new ATOM 0 HA SER A 37 16.129 8.905 -8.983 1.00 22.11 H new ATOM 0 HB2 SER A 37 18.347 10.336 -8.272 1.00 41.13 H new ATOM 0 HB3 SER A 37 19.072 8.756 -8.495 1.00 41.13 H new ATOM 0 HG SER A 37 19.017 9.983 -10.463 1.00 53.20 H new ATOM 526 N CYS A 38 16.783 6.489 -9.226 1.00 52.44 N ATOM 527 CA CYS A 38 16.922 5.038 -9.254 1.00 1.53 C ATOM 528 C CYS A 38 17.990 4.613 -10.257 1.00 45.40 C ATOM 529 O CYS A 38 18.118 5.200 -11.332 1.00 14.21 O ATOM 530 CB CYS A 38 15.585 4.383 -9.607 1.00 44.53 C ATOM 531 SG CYS A 38 15.079 4.617 -11.341 1.00 54.14 S ATOM 0 H CYS A 38 16.405 6.892 -10.083 1.00 52.44 H new ATOM 0 HA CYS A 38 17.229 4.708 -8.262 1.00 1.53 H new ATOM 0 HB2 CYS A 38 15.650 3.315 -9.399 1.00 44.53 H new ATOM 0 HB3 CYS A 38 14.811 4.788 -8.956 1.00 44.53 H new ATOM 536 N LYS A 39 18.757 3.589 -9.898 1.00 73.13 N ATOM 537 CA LYS A 39 19.814 3.083 -10.766 1.00 75.40 C ATOM 538 C LYS A 39 19.950 1.569 -10.631 1.00 4.44 C ATOM 539 O LYS A 39 19.719 1.008 -9.560 1.00 31.14 O ATOM 540 CB LYS A 39 21.145 3.758 -10.430 1.00 20.12 C ATOM 541 CG LYS A 39 21.043 5.267 -10.289 1.00 62.21 C ATOM 542 CD LYS A 39 22.361 5.875 -9.840 1.00 1.13 C ATOM 543 CE LYS A 39 22.282 6.382 -8.408 1.00 33.22 C ATOM 544 NZ LYS A 39 23.488 6.008 -7.619 1.00 64.14 N ATOM 0 H LYS A 39 18.666 3.093 -9.011 1.00 73.13 H new ATOM 0 HA LYS A 39 19.547 3.316 -11.797 1.00 75.40 H new ATOM 0 HB2 LYS A 39 21.530 3.340 -9.500 1.00 20.12 H new ATOM 0 HB3 LYS A 39 21.869 3.522 -11.210 1.00 20.12 H new ATOM 0 HG2 LYS A 39 20.746 5.703 -11.243 1.00 62.21 H new ATOM 0 HG3 LYS A 39 20.263 5.514 -9.569 1.00 62.21 H new ATOM 0 HD2 LYS A 39 23.153 5.130 -9.920 1.00 1.13 H new ATOM 0 HD3 LYS A 39 22.629 6.697 -10.504 1.00 1.13 H new ATOM 0 HE2 LYS A 39 22.173 7.467 -8.412 1.00 33.22 H new ATOM 0 HE3 LYS A 39 21.393 5.974 -7.927 1.00 33.22 H new ATOM 0 HZ1 LYS A 39 23.395 6.372 -6.649 1.00 64.14 H new ATOM 0 HZ2 LYS A 39 23.578 4.972 -7.593 1.00 64.14 H new ATOM 0 HZ3 LYS A 39 24.334 6.418 -8.063 1.00 64.14 H new ATOM 558 N LYS A 40 20.329 0.914 -11.723 1.00 4.24 N ATOM 559 CA LYS A 40 20.500 -0.534 -11.726 1.00 4.20 C ATOM 560 C LYS A 40 21.686 -0.944 -10.858 1.00 42.35 C ATOM 561 O LYS A 40 22.835 -0.632 -11.173 1.00 53.14 O ATOM 562 CB LYS A 40 20.701 -1.041 -13.156 1.00 5.12 C ATOM 563 CG LYS A 40 19.464 -1.690 -13.751 1.00 13.32 C ATOM 564 CD LYS A 40 19.046 -2.920 -12.963 1.00 14.10 C ATOM 565 CE LYS A 40 17.956 -3.699 -13.683 1.00 61.44 C ATOM 566 NZ LYS A 40 18.370 -4.087 -15.060 1.00 72.24 N ATOM 0 H LYS A 40 20.524 1.363 -12.618 1.00 4.24 H new ATOM 0 HA LYS A 40 19.597 -0.982 -11.311 1.00 4.20 H new ATOM 0 HB2 LYS A 40 21.003 -0.207 -13.789 1.00 5.12 H new ATOM 0 HB3 LYS A 40 21.519 -1.761 -13.165 1.00 5.12 H new ATOM 0 HG2 LYS A 40 18.645 -0.970 -13.765 1.00 13.32 H new ATOM 0 HG3 LYS A 40 19.661 -1.969 -14.786 1.00 13.32 H new ATOM 0 HD2 LYS A 40 19.911 -3.564 -12.805 1.00 14.10 H new ATOM 0 HD3 LYS A 40 18.689 -2.619 -11.978 1.00 14.10 H new ATOM 0 HE2 LYS A 40 17.711 -4.594 -13.111 1.00 61.44 H new ATOM 0 HE3 LYS A 40 17.050 -3.095 -13.733 1.00 61.44 H new ATOM 0 HZ1 LYS A 40 18.041 -5.053 -15.262 1.00 72.24 H new ATOM 0 HZ2 LYS A 40 17.952 -3.428 -15.747 1.00 72.24 H new ATOM 0 HZ3 LYS A 40 19.407 -4.052 -15.134 1.00 72.24 H new ATOM 580 N ARG A 41 21.400 -1.645 -9.766 1.00 42.04 N ATOM 581 CA ARG A 41 22.443 -2.098 -8.854 1.00 44.41 C ATOM 582 C ARG A 41 22.687 -3.596 -9.007 1.00 61.14 C ATOM 583 O ARG A 41 21.862 -4.414 -8.601 1.00 73.13 O ATOM 584 CB ARG A 41 22.060 -1.778 -7.408 1.00 41.31 C ATOM 585 CG ARG A 41 21.840 -0.296 -7.150 1.00 21.11 C ATOM 586 CD ARG A 41 23.128 0.495 -7.315 1.00 1.34 C ATOM 587 NE ARG A 41 24.167 0.050 -6.390 1.00 34.45 N ATOM 588 CZ ARG A 41 25.421 0.484 -6.428 1.00 43.14 C ATOM 589 NH1 ARG A 41 25.791 1.371 -7.342 1.00 1.33 N ATOM 590 NH2 ARG A 41 26.309 0.031 -5.552 1.00 51.42 N ATOM 0 H ARG A 41 20.455 -1.912 -9.491 1.00 42.04 H new ATOM 0 HA ARG A 41 23.363 -1.570 -9.104 1.00 44.41 H new ATOM 0 HB2 ARG A 41 21.150 -2.322 -7.153 1.00 41.31 H new ATOM 0 HB3 ARG A 41 22.845 -2.141 -6.744 1.00 41.31 H new ATOM 0 HG2 ARG A 41 21.086 0.086 -7.838 1.00 21.11 H new ATOM 0 HG3 ARG A 41 21.452 -0.155 -6.141 1.00 21.11 H new ATOM 0 HD2 ARG A 41 23.487 0.393 -8.339 1.00 1.34 H new ATOM 0 HD3 ARG A 41 22.927 1.554 -7.151 1.00 1.34 H new ATOM 0 HE ARG A 41 23.915 -0.632 -5.675 1.00 34.45 H new ATOM 0 HH11 ARG A 41 25.112 1.721 -8.017 1.00 1.33 H new ATOM 0 HH12 ARG A 41 26.755 1.703 -7.369 1.00 1.33 H new ATOM 0 HH21 ARG A 41 26.028 -0.652 -4.848 1.00 51.42 H new ATOM 0 HH22 ARG A 41 27.272 0.366 -5.583 1.00 51.42 H new ATOM 604 N SER A 42 23.825 -3.948 -9.596 1.00 65.14 N ATOM 605 CA SER A 42 24.176 -5.348 -9.807 1.00 50.24 C ATOM 606 C SER A 42 23.133 -6.044 -10.676 1.00 34.12 C ATOM 607 O SER A 42 22.887 -7.241 -10.532 1.00 2.04 O ATOM 608 CB SER A 42 24.304 -6.071 -8.466 1.00 23.35 C ATOM 609 OG SER A 42 25.047 -7.271 -8.602 1.00 13.43 O ATOM 0 H SER A 42 24.520 -3.283 -9.936 1.00 65.14 H new ATOM 0 HA SER A 42 25.135 -5.383 -10.323 1.00 50.24 H new ATOM 0 HB2 SER A 42 24.792 -5.418 -7.742 1.00 23.35 H new ATOM 0 HB3 SER A 42 23.312 -6.296 -8.075 1.00 23.35 H new ATOM 0 HG SER A 42 24.678 -7.802 -9.338 1.00 13.43 H new ATOM 615 N GLY A 43 22.521 -5.284 -11.579 1.00 74.00 N ATOM 616 CA GLY A 43 21.511 -5.844 -12.458 1.00 15.11 C ATOM 617 C GLY A 43 20.136 -5.869 -11.819 1.00 60.33 C ATOM 618 O GLY A 43 19.194 -6.430 -12.380 1.00 0.41 O ATOM 0 H GLY A 43 22.707 -4.291 -11.718 1.00 74.00 H new ATOM 0 HA2 GLY A 43 21.470 -5.261 -13.378 1.00 15.11 H new ATOM 0 HA3 GLY A 43 21.798 -6.858 -12.736 1.00 15.11 H new ATOM 622 N ARG A 44 20.021 -5.262 -10.643 1.00 33.55 N ATOM 623 CA ARG A 44 18.752 -5.220 -9.926 1.00 32.43 C ATOM 624 C ARG A 44 18.213 -3.794 -9.857 1.00 62.41 C ATOM 625 O ARG A 44 18.935 -2.846 -9.547 1.00 71.34 O ATOM 626 CB ARG A 44 18.921 -5.782 -8.513 1.00 1.43 C ATOM 627 CG ARG A 44 19.454 -7.205 -8.482 1.00 40.24 C ATOM 628 CD ARG A 44 18.431 -8.194 -9.018 1.00 31.33 C ATOM 629 NE ARG A 44 19.059 -9.411 -9.524 1.00 65.32 N ATOM 630 CZ ARG A 44 18.413 -10.560 -9.685 1.00 74.33 C ATOM 631 NH1 ARG A 44 17.125 -10.648 -9.382 1.00 31.14 N ATOM 632 NH2 ARG A 44 19.054 -11.624 -10.152 1.00 33.45 N ATOM 0 H ARG A 44 20.791 -4.792 -10.166 1.00 33.55 H new ATOM 0 HA ARG A 44 18.035 -5.835 -10.471 1.00 32.43 H new ATOM 0 HB2 ARG A 44 19.599 -5.137 -7.954 1.00 1.43 H new ATOM 0 HB3 ARG A 44 17.959 -5.753 -8.002 1.00 1.43 H new ATOM 0 HG2 ARG A 44 20.366 -7.266 -9.075 1.00 40.24 H new ATOM 0 HG3 ARG A 44 19.720 -7.473 -7.459 1.00 40.24 H new ATOM 0 HD2 ARG A 44 17.727 -8.452 -8.227 1.00 31.33 H new ATOM 0 HD3 ARG A 44 17.856 -7.724 -9.816 1.00 31.33 H new ATOM 0 HE ARG A 44 20.049 -9.377 -9.767 1.00 65.32 H new ATOM 0 HH11 ARG A 44 16.628 -9.832 -9.024 1.00 31.14 H new ATOM 0 HH12 ARG A 44 16.631 -11.532 -9.507 1.00 31.14 H new ATOM 0 HH21 ARG A 44 20.044 -11.560 -10.388 1.00 33.45 H new ATOM 0 HH22 ARG A 44 18.556 -12.506 -10.275 1.00 33.45 H new ATOM 646 N PRO A 45 16.914 -3.637 -10.153 1.00 64.32 N ATOM 647 CA PRO A 45 16.250 -2.331 -10.132 1.00 42.31 C ATOM 648 C PRO A 45 16.095 -1.782 -8.718 1.00 31.01 C ATOM 649 O PRO A 45 15.102 -2.052 -8.041 1.00 51.41 O ATOM 650 CB PRO A 45 14.879 -2.620 -10.747 1.00 34.10 C ATOM 651 CG PRO A 45 14.642 -4.067 -10.482 1.00 2.22 C ATOM 652 CD PRO A 45 15.994 -4.723 -10.531 1.00 23.12 C ATOM 0 HA PRO A 45 16.822 -1.574 -10.669 1.00 42.31 H new ATOM 0 HB2 PRO A 45 14.104 -2.002 -10.294 1.00 34.10 H new ATOM 0 HB3 PRO A 45 14.872 -2.407 -11.816 1.00 34.10 H new ATOM 0 HG2 PRO A 45 14.172 -4.214 -9.510 1.00 2.22 H new ATOM 0 HG3 PRO A 45 13.973 -4.496 -11.228 1.00 2.22 H new ATOM 0 HD2 PRO A 45 16.058 -5.563 -9.839 1.00 23.12 H new ATOM 0 HD3 PRO A 45 16.217 -5.111 -11.525 1.00 23.12 H new ATOM 660 N THR A 46 17.083 -1.010 -8.276 1.00 13.33 N ATOM 661 CA THR A 46 17.056 -0.424 -6.942 1.00 10.43 C ATOM 662 C THR A 46 16.683 1.053 -6.997 1.00 42.44 C ATOM 663 O THR A 46 17.189 1.801 -7.835 1.00 61.11 O ATOM 664 CB THR A 46 18.417 -0.572 -6.236 1.00 0.43 C ATOM 665 OG1 THR A 46 18.738 -1.958 -6.076 1.00 11.11 O ATOM 666 CG2 THR A 46 18.398 0.110 -4.876 1.00 21.23 C ATOM 0 H THR A 46 17.912 -0.776 -8.823 1.00 13.33 H new ATOM 0 HA THR A 46 16.299 -0.966 -6.374 1.00 10.43 H new ATOM 0 HB THR A 46 19.176 -0.093 -6.854 1.00 0.43 H new ATOM 0 HG1 THR A 46 19.605 -2.043 -5.628 1.00 11.11 H new ATOM 0 HG21 THR A 46 19.370 -0.008 -4.396 1.00 21.23 H new ATOM 0 HG22 THR A 46 18.183 1.171 -5.004 1.00 21.23 H new ATOM 0 HG23 THR A 46 17.628 -0.344 -4.252 1.00 21.23 H new ATOM 674 N CYS A 47 15.796 1.469 -6.100 1.00 53.10 N ATOM 675 CA CYS A 47 15.355 2.858 -6.046 1.00 73.33 C ATOM 676 C CYS A 47 16.022 3.596 -4.889 1.00 74.21 C ATOM 677 O CYS A 47 15.855 3.228 -3.726 1.00 4.51 O ATOM 678 CB CYS A 47 13.833 2.926 -5.900 1.00 43.22 C ATOM 679 SG CYS A 47 13.048 4.230 -6.902 1.00 21.25 S ATOM 0 H CYS A 47 15.368 0.864 -5.400 1.00 53.10 H new ATOM 0 HA CYS A 47 15.646 3.342 -6.978 1.00 73.33 H new ATOM 0 HB2 CYS A 47 13.408 1.962 -6.180 1.00 43.22 H new ATOM 0 HB3 CYS A 47 13.586 3.090 -4.851 1.00 43.22 H new ATOM 684 N VAL A 48 16.777 4.639 -5.217 1.00 0.30 N ATOM 685 CA VAL A 48 17.468 5.431 -4.206 1.00 21.51 C ATOM 686 C VAL A 48 16.832 6.808 -4.056 1.00 71.24 C ATOM 687 O VAL A 48 16.321 7.376 -5.022 1.00 1.20 O ATOM 688 CB VAL A 48 18.960 5.601 -4.550 1.00 31.25 C ATOM 689 CG1 VAL A 48 19.754 5.980 -3.309 1.00 31.23 C ATOM 690 CG2 VAL A 48 19.510 4.329 -5.177 1.00 22.11 C ATOM 0 H VAL A 48 16.926 4.956 -6.175 1.00 0.30 H new ATOM 0 HA VAL A 48 17.379 4.889 -3.264 1.00 21.51 H new ATOM 0 HB VAL A 48 19.058 6.408 -5.276 1.00 31.25 H new ATOM 0 HG11 VAL A 48 20.806 6.096 -3.571 1.00 31.23 H new ATOM 0 HG12 VAL A 48 19.375 6.920 -2.907 1.00 31.23 H new ATOM 0 HG13 VAL A 48 19.651 5.197 -2.558 1.00 31.23 H new ATOM 0 HG21 VAL A 48 20.565 4.467 -5.414 1.00 22.11 H new ATOM 0 HG22 VAL A 48 19.400 3.501 -4.476 1.00 22.11 H new ATOM 0 HG23 VAL A 48 18.959 4.106 -6.091 1.00 22.11 H new ATOM 700 N CYS A 49 16.866 7.340 -2.839 1.00 45.45 N ATOM 701 CA CYS A 49 16.294 8.652 -2.562 1.00 35.14 C ATOM 702 C CYS A 49 17.378 9.643 -2.150 1.00 2.21 C ATOM 703 O CYS A 49 18.503 9.254 -1.836 1.00 21.45 O ATOM 704 CB CYS A 49 15.238 8.547 -1.459 1.00 52.22 C ATOM 705 SG CYS A 49 13.528 8.780 -2.043 1.00 31.03 S ATOM 0 H CYS A 49 17.284 6.883 -2.029 1.00 45.45 H new ATOM 0 HA CYS A 49 15.823 9.016 -3.475 1.00 35.14 H new ATOM 0 HB2 CYS A 49 15.319 7.569 -0.985 1.00 52.22 H new ATOM 0 HB3 CYS A 49 15.453 9.291 -0.692 1.00 52.22 H new ATOM 710 N TYR A 50 17.032 10.926 -2.154 1.00 70.40 N ATOM 711 CA TYR A 50 17.976 11.973 -1.783 1.00 52.33 C ATOM 712 C TYR A 50 17.244 13.207 -1.264 1.00 51.13 C ATOM 713 O TYR A 50 16.016 13.280 -1.311 1.00 32.52 O ATOM 714 CB TYR A 50 18.848 12.351 -2.982 1.00 30.50 C ATOM 715 CG TYR A 50 19.712 11.215 -3.483 1.00 51.44 C ATOM 716 CD1 TYR A 50 19.267 10.371 -4.493 1.00 55.54 C ATOM 717 CD2 TYR A 50 20.973 10.986 -2.947 1.00 13.23 C ATOM 718 CE1 TYR A 50 20.052 9.333 -4.954 1.00 70.44 C ATOM 719 CE2 TYR A 50 21.765 9.951 -3.402 1.00 65.24 C ATOM 720 CZ TYR A 50 21.301 9.127 -4.406 1.00 73.31 C ATOM 721 OH TYR A 50 22.087 8.093 -4.862 1.00 11.32 O ATOM 0 H TYR A 50 16.105 11.265 -2.410 1.00 70.40 H new ATOM 0 HA TYR A 50 18.612 11.588 -0.986 1.00 52.33 H new ATOM 0 HB2 TYR A 50 18.206 12.694 -3.794 1.00 30.50 H new ATOM 0 HB3 TYR A 50 19.488 13.189 -2.706 1.00 30.50 H new ATOM 0 HD1 TYR A 50 18.290 10.530 -4.925 1.00 55.54 H new ATOM 0 HD2 TYR A 50 21.340 11.629 -2.161 1.00 13.23 H new ATOM 0 HE1 TYR A 50 19.690 8.686 -5.739 1.00 70.44 H new ATOM 0 HE2 TYR A 50 22.743 9.787 -2.974 1.00 65.24 H new ATOM 0 HH TYR A 50 22.936 8.087 -4.372 1.00 11.32 H new ATOM 731 N ARG A 51 18.008 14.176 -0.770 1.00 51.04 N ATOM 732 CA ARG A 51 17.434 15.407 -0.242 1.00 14.33 C ATOM 733 C ARG A 51 16.335 15.103 0.773 1.00 41.21 C ATOM 734 O ARG A 51 15.394 15.881 0.937 1.00 24.53 O ATOM 735 CB ARG A 51 16.870 16.262 -1.379 1.00 20.43 C ATOM 736 CG ARG A 51 17.902 16.633 -2.431 1.00 3.03 C ATOM 737 CD ARG A 51 17.737 18.073 -2.890 1.00 15.32 C ATOM 738 NE ARG A 51 19.023 18.738 -3.081 1.00 53.14 N ATOM 739 CZ ARG A 51 19.146 20.025 -3.388 1.00 25.33 C ATOM 740 NH1 ARG A 51 18.068 20.781 -3.536 1.00 14.10 N ATOM 741 NH2 ARG A 51 20.351 20.557 -3.546 1.00 4.41 N ATOM 0 H ARG A 51 19.026 14.132 -0.725 1.00 51.04 H new ATOM 0 HA ARG A 51 18.227 15.961 0.261 1.00 14.33 H new ATOM 0 HB2 ARG A 51 16.053 15.722 -1.858 1.00 20.43 H new ATOM 0 HB3 ARG A 51 16.446 17.175 -0.960 1.00 20.43 H new ATOM 0 HG2 ARG A 51 18.904 16.492 -2.025 1.00 3.03 H new ATOM 0 HG3 ARG A 51 17.808 15.964 -3.287 1.00 3.03 H new ATOM 0 HD2 ARG A 51 17.176 18.093 -3.824 1.00 15.32 H new ATOM 0 HD3 ARG A 51 17.150 18.623 -2.154 1.00 15.32 H new ATOM 0 HE ARG A 51 19.873 18.185 -2.973 1.00 53.14 H new ATOM 0 HH11 ARG A 51 17.140 20.375 -3.414 1.00 14.10 H new ATOM 0 HH12 ARG A 51 18.166 21.769 -3.772 1.00 14.10 H new ATOM 0 HH21 ARG A 51 21.183 19.978 -3.432 1.00 4.41 H new ATOM 0 HH22 ARG A 51 20.445 21.545 -3.782 1.00 4.41 H new ATOM 755 N CYS A 52 16.461 13.967 1.451 1.00 50.15 N ATOM 756 CA CYS A 52 15.480 13.559 2.448 1.00 34.52 C ATOM 757 C CYS A 52 15.597 14.412 3.708 1.00 70.21 C ATOM 758 O CYS A 52 16.504 15.235 3.830 1.00 31.54 O ATOM 759 CB CYS A 52 15.664 12.081 2.801 1.00 44.23 C ATOM 760 SG CYS A 52 14.105 11.187 3.098 1.00 43.12 S ATOM 0 H CYS A 52 17.234 13.313 1.328 1.00 50.15 H new ATOM 0 HA CYS A 52 14.487 13.704 2.023 1.00 34.52 H new ATOM 0 HB2 CYS A 52 16.203 11.590 1.991 1.00 44.23 H new ATOM 0 HB3 CYS A 52 16.288 12.006 3.691 1.00 44.23 H new ATOM 765 N ALA A 53 14.673 14.209 4.642 1.00 62.15 N ATOM 766 CA ALA A 53 14.674 14.957 5.892 1.00 10.14 C ATOM 767 C ALA A 53 15.100 14.074 7.060 1.00 34.33 C ATOM 768 O ALA A 53 15.647 14.558 8.050 1.00 51.23 O ATOM 769 CB ALA A 53 13.298 15.552 6.152 1.00 10.23 C ATOM 0 H ALA A 53 13.914 13.533 4.556 1.00 62.15 H new ATOM 0 HA ALA A 53 15.397 15.768 5.801 1.00 10.14 H new ATOM 0 HB1 ALA A 53 13.313 16.108 7.089 1.00 10.23 H new ATOM 0 HB2 ALA A 53 13.032 16.224 5.336 1.00 10.23 H new ATOM 0 HB3 ALA A 53 12.562 14.751 6.217 1.00 10.23 H new ATOM 775 N ASN A 54 14.843 12.775 6.938 1.00 5.31 N ATOM 776 CA ASN A 54 15.199 11.824 7.985 1.00 43.31 C ATOM 777 C ASN A 54 16.584 11.235 7.736 1.00 22.53 C ATOM 778 O ASN A 54 16.928 10.183 8.274 1.00 4.03 O ATOM 779 CB ASN A 54 14.161 10.703 8.059 1.00 71.04 C ATOM 780 CG ASN A 54 13.685 10.447 9.476 1.00 45.42 C ATOM 781 OD1 ASN A 54 12.934 11.240 10.043 1.00 54.54 O ATOM 782 ND2 ASN A 54 14.123 9.336 10.055 1.00 25.32 N ATOM 0 H ASN A 54 14.390 12.358 6.125 1.00 5.31 H new ATOM 0 HA ASN A 54 15.216 12.357 8.936 1.00 43.31 H new ATOM 0 HB2 ASN A 54 13.307 10.961 7.433 1.00 71.04 H new ATOM 0 HB3 ASN A 54 14.590 9.787 7.652 1.00 71.04 H new ATOM 0 HD21 ASN A 54 13.838 9.111 11.008 1.00 25.32 H new ATOM 0 HD22 ASN A 54 14.745 8.707 9.547 1.00 25.32 H new ATOM 789 N GLY A 55 17.375 11.921 6.917 1.00 25.40 N ATOM 790 CA GLY A 55 18.714 11.450 6.612 1.00 51.14 C ATOM 791 C GLY A 55 19.419 12.327 5.596 1.00 3.34 C ATOM 792 O GLY A 55 20.644 12.444 5.611 1.00 71.34 O ATOM 0 H GLY A 55 17.113 12.794 6.459 1.00 25.40 H new ATOM 0 HA2 GLY A 55 19.302 11.417 7.529 1.00 51.14 H new ATOM 0 HA3 GLY A 55 18.659 10.430 6.231 1.00 51.14 H new ATOM 796 N GLY A 56 18.644 12.946 4.710 1.00 22.35 N ATOM 797 CA GLY A 56 19.220 13.807 3.695 1.00 41.34 C ATOM 798 C GLY A 56 20.181 13.068 2.785 1.00 42.44 C ATOM 799 O GLY A 56 21.364 13.400 2.719 1.00 51.34 O ATOM 0 H GLY A 56 17.628 12.866 4.678 1.00 22.35 H new ATOM 0 HA2 GLY A 56 18.420 14.243 3.096 1.00 41.34 H new ATOM 0 HA3 GLY A 56 19.743 14.632 4.177 1.00 41.34 H new ATOM 803 N GLY A 57 19.672 12.061 2.081 1.00 2.33 N ATOM 804 CA GLY A 57 20.508 11.288 1.182 1.00 71.14 C ATOM 805 C GLY A 57 19.865 9.976 0.776 1.00 11.44 C ATOM 806 O GLY A 57 18.654 9.910 0.566 1.00 14.02 O ATOM 0 H GLY A 57 18.696 11.767 2.118 1.00 2.33 H new ATOM 0 HA2 GLY A 57 20.718 11.877 0.290 1.00 71.14 H new ATOM 0 HA3 GLY A 57 21.465 11.086 1.664 1.00 71.14 H new ATOM 810 N ASP A 58 20.677 8.931 0.665 1.00 72.01 N ATOM 811 CA ASP A 58 20.180 7.615 0.281 1.00 21.43 C ATOM 812 C ASP A 58 19.251 7.051 1.352 1.00 25.13 C ATOM 813 O ASP A 58 19.701 6.631 2.419 1.00 2.41 O ATOM 814 CB ASP A 58 21.347 6.655 0.044 1.00 61.11 C ATOM 815 CG ASP A 58 22.364 6.690 1.168 1.00 14.31 C ATOM 816 OD1 ASP A 58 22.433 5.708 1.937 1.00 45.15 O ATOM 817 OD2 ASP A 58 23.090 7.700 1.279 1.00 70.21 O ATOM 0 H ASP A 58 21.682 8.969 0.835 1.00 72.01 H new ATOM 0 HA ASP A 58 19.615 7.723 -0.645 1.00 21.43 H new ATOM 0 HB2 ASP A 58 20.963 5.641 -0.063 1.00 61.11 H new ATOM 0 HB3 ASP A 58 21.839 6.910 -0.895 1.00 61.11 H new ATOM 822 N ILE A 59 17.955 7.045 1.061 1.00 41.51 N ATOM 823 CA ILE A 59 16.964 6.533 1.999 1.00 51.50 C ATOM 824 C ILE A 59 15.877 5.745 1.275 1.00 5.51 C ATOM 825 O ILE A 59 14.967 6.309 0.668 1.00 41.44 O ATOM 826 CB ILE A 59 16.308 7.672 2.802 1.00 52.21 C ATOM 827 CG1 ILE A 59 17.366 8.678 3.259 1.00 12.53 C ATOM 828 CG2 ILE A 59 15.552 7.110 3.997 1.00 52.53 C ATOM 829 CD1 ILE A 59 18.237 8.169 4.386 1.00 12.33 C ATOM 0 H ILE A 59 17.566 7.389 0.183 1.00 41.51 H new ATOM 0 HA ILE A 59 17.492 5.872 2.686 1.00 51.50 H new ATOM 0 HB ILE A 59 15.597 8.189 2.157 1.00 52.21 H new ATOM 0 HG12 ILE A 59 17.999 8.938 2.411 1.00 12.53 H new ATOM 0 HG13 ILE A 59 16.870 9.594 3.579 1.00 12.53 H new ATOM 0 HG21 ILE A 59 15.094 7.927 4.555 1.00 52.53 H new ATOM 0 HG22 ILE A 59 14.776 6.428 3.649 1.00 52.53 H new ATOM 0 HG23 ILE A 59 16.244 6.572 4.645 1.00 52.53 H new ATOM 0 HD11 ILE A 59 18.964 8.934 4.658 1.00 12.33 H new ATOM 0 HD12 ILE A 59 17.615 7.936 5.250 1.00 12.33 H new ATOM 0 HD13 ILE A 59 18.761 7.269 4.063 1.00 12.33 H new ATOM 841 N PRO A 60 15.972 4.409 1.341 1.00 1.24 N ATOM 842 CA PRO A 60 15.004 3.514 0.700 1.00 3.20 C ATOM 843 C PRO A 60 13.641 3.550 1.383 1.00 62.54 C ATOM 844 O PRO A 60 13.541 3.829 2.578 1.00 1.21 O ATOM 845 CB PRO A 60 15.644 2.132 0.854 1.00 74.15 C ATOM 846 CG PRO A 60 16.525 2.253 2.048 1.00 22.23 C ATOM 847 CD PRO A 60 17.031 3.669 2.048 1.00 31.12 C ATOM 0 HA PRO A 60 14.810 3.796 -0.335 1.00 3.20 H new ATOM 0 HB2 PRO A 60 14.888 1.360 0.996 1.00 74.15 H new ATOM 0 HB3 PRO A 60 16.215 1.859 -0.033 1.00 74.15 H new ATOM 0 HG2 PRO A 60 15.974 2.036 2.963 1.00 22.23 H new ATOM 0 HG3 PRO A 60 17.351 1.544 1.997 1.00 22.23 H new ATOM 0 HD2 PRO A 60 17.176 4.044 3.061 1.00 31.12 H new ATOM 0 HD3 PRO A 60 17.990 3.753 1.537 1.00 31.12 H new ATOM 855 N LEU A 61 12.594 3.264 0.617 1.00 51.21 N ATOM 856 CA LEU A 61 11.235 3.263 1.148 1.00 23.34 C ATOM 857 C LEU A 61 11.148 2.422 2.418 1.00 62.41 C ATOM 858 O LEU A 61 10.265 2.624 3.250 1.00 53.34 O ATOM 859 CB LEU A 61 10.257 2.728 0.101 1.00 43.13 C ATOM 860 CG LEU A 61 10.184 3.511 -1.211 1.00 5.13 C ATOM 861 CD1 LEU A 61 8.993 3.056 -2.039 1.00 32.23 C ATOM 862 CD2 LEU A 61 10.105 5.006 -0.936 1.00 24.32 C ATOM 0 H LEU A 61 12.660 3.030 -0.374 1.00 51.21 H new ATOM 0 HA LEU A 61 10.967 4.290 1.395 1.00 23.34 H new ATOM 0 HB2 LEU A 61 10.529 1.698 -0.129 1.00 43.13 H new ATOM 0 HB3 LEU A 61 9.261 2.704 0.542 1.00 43.13 H new ATOM 0 HG LEU A 61 11.092 3.314 -1.780 1.00 5.13 H new ATOM 0 HD11 LEU A 61 8.958 3.624 -2.968 1.00 32.23 H new ATOM 0 HD12 LEU A 61 9.092 1.995 -2.266 1.00 32.23 H new ATOM 0 HD13 LEU A 61 8.074 3.222 -1.477 1.00 32.23 H new ATOM 0 HD21 LEU A 61 10.054 5.547 -1.881 1.00 24.32 H new ATOM 0 HD22 LEU A 61 9.214 5.221 -0.346 1.00 24.32 H new ATOM 0 HD23 LEU A 61 10.991 5.322 -0.384 1.00 24.32 H new ATOM 874 N GLY A 62 12.073 1.477 2.561 1.00 43.31 N ATOM 875 CA GLY A 62 12.084 0.621 3.733 1.00 44.14 C ATOM 876 C GLY A 62 12.581 1.340 4.971 1.00 30.03 C ATOM 877 O GLY A 62 12.098 1.093 6.076 1.00 54.52 O ATOM 0 H GLY A 62 12.815 1.289 1.886 1.00 43.31 H new ATOM 0 HA2 GLY A 62 11.077 0.246 3.914 1.00 44.14 H new ATOM 0 HA3 GLY A 62 12.717 -0.245 3.541 1.00 44.14 H new ATOM 881 N ALA A 63 13.550 2.231 4.788 1.00 23.51 N ATOM 882 CA ALA A 63 14.112 2.987 5.900 1.00 44.43 C ATOM 883 C ALA A 63 13.197 4.141 6.297 1.00 23.30 C ATOM 884 O ALA A 63 13.221 4.601 7.439 1.00 22.34 O ATOM 885 CB ALA A 63 15.495 3.509 5.538 1.00 61.14 C ATOM 0 H ALA A 63 13.962 2.447 3.880 1.00 23.51 H new ATOM 0 HA ALA A 63 14.201 2.317 6.755 1.00 44.43 H new ATOM 0 HB1 ALA A 63 15.903 4.072 6.378 1.00 61.14 H new ATOM 0 HB2 ALA A 63 16.152 2.670 5.310 1.00 61.14 H new ATOM 0 HB3 ALA A 63 15.422 4.160 4.667 1.00 61.14 H new ATOM 891 N LEU A 64 12.392 4.605 5.348 1.00 70.42 N ATOM 892 CA LEU A 64 11.469 5.706 5.599 1.00 75.33 C ATOM 893 C LEU A 64 10.105 5.183 6.041 1.00 5.31 C ATOM 894 O LEU A 64 9.151 5.949 6.177 1.00 33.11 O ATOM 895 CB LEU A 64 11.315 6.565 4.342 1.00 31.23 C ATOM 896 CG LEU A 64 12.225 7.790 4.252 1.00 41.13 C ATOM 897 CD1 LEU A 64 12.553 8.105 2.800 1.00 12.45 C ATOM 898 CD2 LEU A 64 11.574 8.989 4.926 1.00 2.00 C ATOM 0 H LEU A 64 12.360 4.236 4.398 1.00 70.42 H new ATOM 0 HA LEU A 64 11.881 6.317 6.402 1.00 75.33 H new ATOM 0 HB2 LEU A 64 11.499 5.936 3.471 1.00 31.23 H new ATOM 0 HB3 LEU A 64 10.280 6.901 4.280 1.00 31.23 H new ATOM 0 HG LEU A 64 13.156 7.567 4.774 1.00 41.13 H new ATOM 0 HD11 LEU A 64 13.202 8.980 2.755 1.00 12.45 H new ATOM 0 HD12 LEU A 64 13.061 7.253 2.349 1.00 12.45 H new ATOM 0 HD13 LEU A 64 11.631 8.308 2.255 1.00 12.45 H new ATOM 0 HD21 LEU A 64 12.236 9.852 4.852 1.00 2.00 H new ATOM 0 HD22 LEU A 64 10.628 9.214 4.433 1.00 2.00 H new ATOM 0 HD23 LEU A 64 11.391 8.761 5.976 1.00 2.00 H new ATOM 910 N ILE A 65 10.023 3.876 6.266 1.00 41.31 N ATOM 911 CA ILE A 65 8.778 3.253 6.696 1.00 30.33 C ATOM 912 C ILE A 65 8.236 3.920 7.956 1.00 73.32 C ATOM 913 O ILE A 65 8.976 4.172 8.907 1.00 62.53 O ATOM 914 CB ILE A 65 8.966 1.748 6.966 1.00 12.11 C ATOM 915 CG1 ILE A 65 9.204 0.998 5.654 1.00 43.21 C ATOM 916 CG2 ILE A 65 7.753 1.185 7.692 1.00 60.44 C ATOM 917 CD1 ILE A 65 9.489 -0.475 5.843 1.00 35.40 C ATOM 0 H ILE A 65 10.804 3.229 6.158 1.00 41.31 H new ATOM 0 HA ILE A 65 8.063 3.382 5.883 1.00 30.33 H new ATOM 0 HB ILE A 65 9.841 1.614 7.603 1.00 12.11 H new ATOM 0 HG12 ILE A 65 8.327 1.111 5.016 1.00 43.21 H new ATOM 0 HG13 ILE A 65 10.042 1.457 5.129 1.00 43.21 H new ATOM 0 HG21 ILE A 65 7.901 0.121 7.876 1.00 60.44 H new ATOM 0 HG22 ILE A 65 7.625 1.703 8.642 1.00 60.44 H new ATOM 0 HG23 ILE A 65 6.863 1.327 7.079 1.00 60.44 H new ATOM 0 HD11 ILE A 65 9.647 -0.943 4.871 1.00 35.40 H new ATOM 0 HD12 ILE A 65 10.383 -0.597 6.455 1.00 35.40 H new ATOM 0 HD13 ILE A 65 8.642 -0.949 6.340 1.00 35.40 H new ATOM 929 N LYS A 66 6.937 4.203 7.957 1.00 65.53 N ATOM 930 CA LYS A 66 6.293 4.838 9.100 1.00 21.41 C ATOM 931 C LYS A 66 5.254 3.911 9.723 1.00 20.11 C ATOM 932 O LYS A 66 4.591 4.271 10.696 1.00 4.02 O ATOM 933 CB LYS A 66 5.631 6.150 8.675 1.00 43.35 C ATOM 934 CG LYS A 66 6.576 7.106 7.966 1.00 73.31 C ATOM 935 CD LYS A 66 5.818 8.101 7.103 1.00 62.22 C ATOM 936 CE LYS A 66 5.302 7.453 5.827 1.00 21.32 C ATOM 937 NZ LYS A 66 3.824 7.581 5.699 1.00 61.23 N ATOM 0 H LYS A 66 6.310 4.002 7.178 1.00 65.53 H new ATOM 0 HA LYS A 66 7.059 5.050 9.845 1.00 21.41 H new ATOM 0 HB2 LYS A 66 4.791 5.927 8.017 1.00 43.35 H new ATOM 0 HB3 LYS A 66 5.222 6.643 9.557 1.00 43.35 H new ATOM 0 HG2 LYS A 66 7.173 7.643 8.703 1.00 73.31 H new ATOM 0 HG3 LYS A 66 7.270 6.539 7.345 1.00 73.31 H new ATOM 0 HD2 LYS A 66 4.981 8.511 7.668 1.00 62.22 H new ATOM 0 HD3 LYS A 66 6.471 8.936 6.850 1.00 62.22 H new ATOM 0 HE2 LYS A 66 5.783 7.915 4.965 1.00 21.32 H new ATOM 0 HE3 LYS A 66 5.577 6.398 5.818 1.00 21.32 H new ATOM 0 HZ1 LYS A 66 3.511 7.127 4.817 1.00 61.23 H new ATOM 0 HZ2 LYS A 66 3.364 7.118 6.509 1.00 61.23 H new ATOM 0 HZ3 LYS A 66 3.563 8.588 5.682 1.00 61.23 H new ATOM 951 N ARG A 67 5.118 2.716 9.157 1.00 2.20 N ATOM 952 CA ARG A 67 4.160 1.738 9.658 1.00 51.04 C ATOM 953 C ARG A 67 4.842 0.731 10.578 1.00 22.54 C ATOM 954 O ARG A 67 4.219 -0.223 11.043 1.00 54.21 O ATOM 955 CB ARG A 67 3.489 1.008 8.493 1.00 72.30 C ATOM 956 CG ARG A 67 2.232 0.252 8.891 1.00 33.13 C ATOM 957 CD ARG A 67 2.483 -1.246 8.969 1.00 41.15 C ATOM 958 NE ARG A 67 2.048 -1.937 7.758 1.00 44.14 N ATOM 959 CZ ARG A 67 2.348 -3.202 7.486 1.00 34.30 C ATOM 960 NH1 ARG A 67 3.078 -3.911 8.335 1.00 23.24 N ATOM 961 NH2 ARG A 67 1.915 -3.761 6.363 1.00 62.31 N ATOM 0 H ARG A 67 5.659 2.402 8.351 1.00 2.20 H new ATOM 0 HA ARG A 67 3.400 2.270 10.231 1.00 51.04 H new ATOM 0 HB2 ARG A 67 3.237 1.732 7.718 1.00 72.30 H new ATOM 0 HB3 ARG A 67 4.201 0.308 8.056 1.00 72.30 H new ATOM 0 HG2 ARG A 67 1.879 0.614 9.857 1.00 33.13 H new ATOM 0 HG3 ARG A 67 1.441 0.452 8.168 1.00 33.13 H new ATOM 0 HD2 ARG A 67 3.546 -1.428 9.128 1.00 41.15 H new ATOM 0 HD3 ARG A 67 1.957 -1.658 9.830 1.00 41.15 H new ATOM 0 HE ARG A 67 1.483 -1.420 7.084 1.00 44.14 H new ATOM 0 HH11 ARG A 67 3.411 -3.485 9.200 1.00 23.24 H new ATOM 0 HH12 ARG A 67 3.307 -4.882 8.123 1.00 23.24 H new ATOM 0 HH21 ARG A 67 1.351 -3.219 5.708 1.00 62.31 H new ATOM 0 HH22 ARG A 67 2.146 -4.732 6.155 1.00 62.31 H new ATOM 975 N GLY A 68 6.128 0.949 10.837 1.00 10.14 N ATOM 976 CA GLY A 68 6.874 0.052 11.701 1.00 73.05 C ATOM 977 C GLY A 68 7.621 -1.013 10.923 1.00 42.12 C ATOM 978 O GLY A 68 8.741 -1.379 11.278 1.00 22.44 O ATOM 0 H GLY A 68 6.667 1.731 10.464 1.00 10.14 H new ATOM 0 HA2 GLY A 68 7.583 0.630 12.294 1.00 73.05 H new ATOM 0 HA3 GLY A 68 6.189 -0.427 12.401 1.00 73.05 H new TER 982 GLY A 68