USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN : amide:sc= -2.65 K(o=-3.2,f=1.3) USER MOD Set 1.2: A 24 THR OG1 : rot -150:sc= -0.512 USER MOD Set 2.1: A 2 LYS NZ :NH3+ -168:sc= 0.556 (180deg=0.0407) USER MOD Set 2.2: A 44 THR OG1 : rot -150:sc= -0.3 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.14 K(o=-1.1,f=-4.7!) USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0869) USER MOD Single : A 16 TYR OH : rot 165:sc= -0.0875 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.034) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.125) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.043) USER MOD Single : A 41 ASN : amide:sc= -0.0931 K(o=-0.093,f=0.85) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.632 K(o=-0.63,f=-0.039) USER MOD Single : A 50 ASN : amide:sc= -0.0371 X(o=-0.037,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.477 -1.031 -1.562 1.00 21.31 N ATOM 2 CA ALA A 1 2.293 -1.935 -2.363 1.00 42.22 C ATOM 3 C ALA A 1 3.774 -1.774 -2.036 1.00 12.43 C ATOM 4 O ALA A 1 4.468 -2.750 -1.752 1.00 72.43 O ATOM 5 CB ALA A 1 2.049 -1.692 -3.845 1.00 61.23 C ATOM 0 H1 ALA A 1 0.474 -1.161 -1.805 1.00 21.31 H new ATOM 0 H2 ALA A 1 1.619 -1.238 -0.553 1.00 21.31 H new ATOM 0 H3 ALA A 1 1.755 -0.048 -1.756 1.00 21.31 H new ATOM 0 HA ALA A 1 2.003 -2.957 -2.120 1.00 42.22 H new ATOM 0 HB1 ALA A 1 2.665 -2.374 -4.432 1.00 61.23 H new ATOM 0 HB2 ALA A 1 0.997 -1.865 -4.074 1.00 61.23 H new ATOM 0 HB3 ALA A 1 2.310 -0.663 -4.093 1.00 61.23 H new ATOM 11 N LYS A 2 4.253 -0.535 -2.077 1.00 14.11 N ATOM 12 CA LYS A 2 5.651 -0.245 -1.784 1.00 41.51 C ATOM 13 C LYS A 2 5.967 -0.513 -0.316 1.00 72.52 C ATOM 14 O LYS A 2 5.309 0.019 0.578 1.00 75.31 O ATOM 15 CB LYS A 2 5.974 1.211 -2.128 1.00 11.43 C ATOM 16 CG LYS A 2 7.404 1.610 -1.806 1.00 31.31 C ATOM 17 CD LYS A 2 8.387 1.002 -2.792 1.00 24.54 C ATOM 18 CE LYS A 2 8.792 2.002 -3.864 1.00 23.52 C ATOM 19 NZ LYS A 2 10.143 1.706 -4.416 1.00 60.45 N ATOM 0 H LYS A 2 3.693 0.285 -2.311 1.00 14.11 H new ATOM 0 HA LYS A 2 6.268 -0.903 -2.396 1.00 41.51 H new ATOM 0 HB2 LYS A 2 5.791 1.374 -3.190 1.00 11.43 H new ATOM 0 HB3 LYS A 2 5.292 1.864 -1.583 1.00 11.43 H new ATOM 0 HG2 LYS A 2 7.493 2.696 -1.825 1.00 31.31 H new ATOM 0 HG3 LYS A 2 7.654 1.287 -0.795 1.00 31.31 H new ATOM 0 HD2 LYS A 2 9.274 0.660 -2.259 1.00 24.54 H new ATOM 0 HD3 LYS A 2 7.939 0.126 -3.261 1.00 24.54 H new ATOM 0 HE2 LYS A 2 8.059 1.987 -4.670 1.00 23.52 H new ATOM 0 HE3 LYS A 2 8.783 3.008 -3.444 1.00 23.52 H new ATOM 0 HZ1 LYS A 2 10.469 2.511 -4.988 1.00 60.45 H new ATOM 0 HZ2 LYS A 2 10.810 1.544 -3.634 1.00 60.45 H new ATOM 0 HZ3 LYS A 2 10.096 0.855 -5.012 1.00 60.45 H new ATOM 33 N TYR A 3 6.978 -1.341 -0.075 1.00 51.43 N ATOM 34 CA TYR A 3 7.380 -1.680 1.284 1.00 20.54 C ATOM 35 C TYR A 3 8.730 -1.056 1.625 1.00 32.54 C ATOM 36 O TYR A 3 9.607 -0.938 0.769 1.00 2.24 O ATOM 37 CB TYR A 3 7.450 -3.199 1.453 1.00 24.13 C ATOM 38 CG TYR A 3 6.118 -3.891 1.272 1.00 43.12 C ATOM 39 CD1 TYR A 3 5.096 -3.726 2.198 1.00 11.03 C ATOM 40 CD2 TYR A 3 5.882 -4.710 0.175 1.00 61.12 C ATOM 41 CE1 TYR A 3 3.877 -4.357 2.037 1.00 3.42 C ATOM 42 CE2 TYR A 3 4.666 -5.343 0.005 1.00 63.42 C ATOM 43 CZ TYR A 3 3.667 -5.164 0.939 1.00 42.34 C ATOM 44 OH TYR A 3 2.455 -5.794 0.774 1.00 41.04 O ATOM 0 H TYR A 3 7.534 -1.789 -0.804 1.00 51.43 H new ATOM 0 HA TYR A 3 6.632 -1.279 1.968 1.00 20.54 H new ATOM 0 HB2 TYR A 3 8.161 -3.604 0.733 1.00 24.13 H new ATOM 0 HB3 TYR A 3 7.837 -3.428 2.446 1.00 24.13 H new ATOM 0 HD1 TYR A 3 5.257 -3.094 3.059 1.00 11.03 H new ATOM 0 HD2 TYR A 3 6.663 -4.854 -0.557 1.00 61.12 H new ATOM 0 HE1 TYR A 3 3.093 -4.219 2.767 1.00 3.42 H new ATOM 0 HE2 TYR A 3 4.498 -5.975 -0.855 1.00 63.42 H new ATOM 0 HH TYR A 3 2.471 -6.324 -0.050 1.00 41.04 H new ATOM 54 N THR A 4 8.890 -0.659 2.884 1.00 53.11 N ATOM 55 CA THR A 4 10.131 -0.047 3.340 1.00 10.52 C ATOM 56 C THR A 4 10.827 -0.921 4.376 1.00 21.44 C ATOM 57 O THR A 4 10.185 -1.477 5.266 1.00 33.41 O ATOM 58 CB THR A 4 9.880 1.347 3.947 1.00 42.04 C ATOM 59 OG1 THR A 4 9.233 2.190 2.987 1.00 73.31 O ATOM 60 CG2 THR A 4 11.187 1.987 4.391 1.00 32.10 C ATOM 0 H THR A 4 8.175 -0.751 3.606 1.00 53.11 H new ATOM 0 HA THR A 4 10.773 0.055 2.465 1.00 10.52 H new ATOM 0 HB THR A 4 9.237 1.229 4.819 1.00 42.04 H new ATOM 0 HG1 THR A 4 9.075 3.073 3.381 1.00 73.31 H new ATOM 0 HG21 THR A 4 10.985 2.970 4.816 1.00 32.10 H new ATOM 0 HG22 THR A 4 11.663 1.358 5.143 1.00 32.10 H new ATOM 0 HG23 THR A 4 11.851 2.092 3.533 1.00 32.10 H new ATOM 68 N GLY A 5 12.146 -1.039 4.255 1.00 1.44 N ATOM 69 CA GLY A 5 12.908 -1.847 5.189 1.00 33.33 C ATOM 70 C GLY A 5 14.397 -1.579 5.108 1.00 64.13 C ATOM 71 O GLY A 5 14.821 -0.514 4.657 1.00 33.15 O ATOM 0 H GLY A 5 12.700 -0.589 3.526 1.00 1.44 H new ATOM 0 HA2 GLY A 5 12.561 -1.649 6.203 1.00 33.33 H new ATOM 0 HA3 GLY A 5 12.721 -2.902 4.989 1.00 33.33 H new ATOM 75 N LYS A 6 15.196 -2.546 5.546 1.00 70.54 N ATOM 76 CA LYS A 6 16.648 -2.411 5.521 1.00 15.21 C ATOM 77 C LYS A 6 17.312 -3.735 5.159 1.00 33.54 C ATOM 78 O LYS A 6 16.747 -4.807 5.384 1.00 50.52 O ATOM 79 CB LYS A 6 17.158 -1.926 6.880 1.00 61.40 C ATOM 80 CG LYS A 6 16.313 -0.821 7.488 1.00 12.24 C ATOM 81 CD LYS A 6 15.216 -1.383 8.377 1.00 11.44 C ATOM 82 CE LYS A 6 15.338 -0.870 9.804 1.00 34.02 C ATOM 83 NZ LYS A 6 14.707 0.469 9.968 1.00 33.13 N ATOM 0 H LYS A 6 14.862 -3.433 5.923 1.00 70.54 H new ATOM 0 HA LYS A 6 16.907 -1.676 4.759 1.00 15.21 H new ATOM 0 HB2 LYS A 6 17.188 -2.770 7.569 1.00 61.40 H new ATOM 0 HB3 LYS A 6 18.182 -1.569 6.768 1.00 61.40 H new ATOM 0 HG2 LYS A 6 16.949 -0.154 8.070 1.00 12.24 H new ATOM 0 HG3 LYS A 6 15.868 -0.223 6.693 1.00 12.24 H new ATOM 0 HD2 LYS A 6 14.242 -1.108 7.972 1.00 11.44 H new ATOM 0 HD3 LYS A 6 15.267 -2.472 8.375 1.00 11.44 H new ATOM 0 HE2 LYS A 6 14.868 -1.579 10.486 1.00 34.02 H new ATOM 0 HE3 LYS A 6 16.391 -0.812 10.080 1.00 34.02 H new ATOM 0 HZ1 LYS A 6 14.811 0.784 10.954 1.00 33.13 H new ATOM 0 HZ2 LYS A 6 15.172 1.152 9.336 1.00 33.13 H new ATOM 0 HZ3 LYS A 6 13.697 0.408 9.729 1.00 33.13 H new ATOM 97 N CYS A 7 18.514 -3.656 4.600 1.00 43.21 N ATOM 98 CA CYS A 7 19.257 -4.848 4.208 1.00 15.11 C ATOM 99 C CYS A 7 20.462 -5.062 5.119 1.00 43.45 C ATOM 100 O CYS A 7 20.598 -4.407 6.153 1.00 41.12 O ATOM 101 CB CYS A 7 19.716 -4.733 2.753 1.00 1.23 C ATOM 102 SG CYS A 7 18.864 -3.432 1.805 1.00 12.41 S ATOM 0 H CYS A 7 18.996 -2.778 4.408 1.00 43.21 H new ATOM 0 HA CYS A 7 18.594 -5.708 4.305 1.00 15.11 H new ATOM 0 HB2 CYS A 7 20.788 -4.537 2.736 1.00 1.23 H new ATOM 0 HB3 CYS A 7 19.559 -5.691 2.257 1.00 1.23 H new ATOM 107 N THR A 8 21.337 -5.983 4.727 1.00 40.15 N ATOM 108 CA THR A 8 22.531 -6.284 5.506 1.00 32.34 C ATOM 109 C THR A 8 23.738 -6.502 4.602 1.00 41.04 C ATOM 110 O THR A 8 23.711 -7.344 3.703 1.00 15.25 O ATOM 111 CB THR A 8 22.328 -7.535 6.383 1.00 44.41 C ATOM 112 OG1 THR A 8 20.936 -7.860 6.459 1.00 51.43 O ATOM 113 CG2 THR A 8 22.879 -7.309 7.783 1.00 14.31 C ATOM 0 H THR A 8 21.241 -6.534 3.874 1.00 40.15 H new ATOM 0 HA THR A 8 22.714 -5.423 6.149 1.00 32.34 H new ATOM 0 HB THR A 8 22.869 -8.364 5.926 1.00 44.41 H new ATOM 0 HG1 THR A 8 20.816 -8.657 7.017 1.00 51.43 H new ATOM 0 HG21 THR A 8 22.725 -8.205 8.384 1.00 14.31 H new ATOM 0 HG22 THR A 8 23.945 -7.091 7.724 1.00 14.31 H new ATOM 0 HG23 THR A 8 22.362 -6.468 8.246 1.00 14.31 H new ATOM 121 N LYS A 9 24.798 -5.739 4.844 1.00 44.33 N ATOM 122 CA LYS A 9 26.018 -5.849 4.052 1.00 11.22 C ATOM 123 C LYS A 9 26.621 -7.245 4.173 1.00 0.45 C ATOM 124 O LYS A 9 27.455 -7.644 3.360 1.00 13.34 O ATOM 125 CB LYS A 9 27.038 -4.800 4.501 1.00 22.20 C ATOM 126 CG LYS A 9 27.667 -5.101 5.851 1.00 75.44 C ATOM 127 CD LYS A 9 29.016 -5.783 5.698 1.00 73.52 C ATOM 128 CE LYS A 9 29.280 -6.758 6.835 1.00 34.14 C ATOM 129 NZ LYS A 9 30.029 -6.118 7.952 1.00 50.23 N ATOM 0 H LYS A 9 24.837 -5.037 5.583 1.00 44.33 H new ATOM 0 HA LYS A 9 25.761 -5.673 3.007 1.00 11.22 H new ATOM 0 HB2 LYS A 9 27.826 -4.727 3.751 1.00 22.20 H new ATOM 0 HB3 LYS A 9 26.550 -3.827 4.546 1.00 22.20 H new ATOM 0 HG2 LYS A 9 27.788 -4.174 6.412 1.00 75.44 H new ATOM 0 HG3 LYS A 9 26.999 -5.739 6.430 1.00 75.44 H new ATOM 0 HD2 LYS A 9 29.051 -6.314 4.747 1.00 73.52 H new ATOM 0 HD3 LYS A 9 29.804 -5.031 5.672 1.00 73.52 H new ATOM 0 HE2 LYS A 9 28.332 -7.146 7.208 1.00 34.14 H new ATOM 0 HE3 LYS A 9 29.847 -7.610 6.459 1.00 34.14 H new ATOM 0 HZ1 LYS A 9 30.189 -6.815 8.707 1.00 50.23 H new ATOM 0 HZ2 LYS A 9 30.945 -5.770 7.602 1.00 50.23 H new ATOM 0 HZ3 LYS A 9 29.477 -5.321 8.328 1.00 50.23 H new ATOM 143 N SER A 10 26.193 -7.983 5.193 1.00 41.23 N ATOM 144 CA SER A 10 26.693 -9.334 5.421 1.00 11.52 C ATOM 145 C SER A 10 26.610 -10.166 4.146 1.00 64.35 C ATOM 146 O SER A 10 27.621 -10.423 3.490 1.00 12.45 O ATOM 147 CB SER A 10 25.898 -10.012 6.539 1.00 44.21 C ATOM 148 OG SER A 10 26.251 -11.379 6.658 1.00 70.12 O ATOM 0 H SER A 10 25.502 -7.668 5.874 1.00 41.23 H new ATOM 0 HA SER A 10 27.739 -9.263 5.720 1.00 11.52 H new ATOM 0 HB2 SER A 10 26.085 -9.501 7.484 1.00 44.21 H new ATOM 0 HB3 SER A 10 24.831 -9.925 6.335 1.00 44.21 H new ATOM 0 HG SER A 10 25.731 -11.790 7.380 1.00 70.12 H new ATOM 154 N LYS A 11 25.399 -10.587 3.798 1.00 14.34 N ATOM 155 CA LYS A 11 25.181 -11.390 2.601 1.00 13.31 C ATOM 156 C LYS A 11 24.248 -10.675 1.629 1.00 53.11 C ATOM 157 O LYS A 11 23.821 -11.249 0.628 1.00 62.00 O ATOM 158 CB LYS A 11 24.596 -12.753 2.976 1.00 22.41 C ATOM 159 CG LYS A 11 24.914 -13.848 1.973 1.00 62.34 C ATOM 160 CD LYS A 11 23.730 -14.778 1.767 1.00 54.50 C ATOM 161 CE LYS A 11 23.751 -15.410 0.384 1.00 53.22 C ATOM 162 NZ LYS A 11 22.906 -16.635 0.321 1.00 44.10 N ATOM 0 H LYS A 11 24.552 -10.385 4.329 1.00 14.34 H new ATOM 0 HA LYS A 11 26.144 -11.537 2.112 1.00 13.31 H new ATOM 0 HB2 LYS A 11 24.977 -13.046 3.954 1.00 22.41 H new ATOM 0 HB3 LYS A 11 23.514 -12.661 3.070 1.00 22.41 H new ATOM 0 HG2 LYS A 11 25.195 -13.399 1.020 1.00 62.34 H new ATOM 0 HG3 LYS A 11 25.773 -14.422 2.320 1.00 62.34 H new ATOM 0 HD2 LYS A 11 23.744 -15.560 2.526 1.00 54.50 H new ATOM 0 HD3 LYS A 11 22.802 -14.222 1.900 1.00 54.50 H new ATOM 0 HE2 LYS A 11 23.398 -14.687 -0.351 1.00 53.22 H new ATOM 0 HE3 LYS A 11 24.777 -15.662 0.115 1.00 53.22 H new ATOM 0 HZ1 LYS A 11 22.947 -17.036 -0.638 1.00 44.10 H new ATOM 0 HZ2 LYS A 11 23.258 -17.335 1.004 1.00 44.10 H new ATOM 0 HZ3 LYS A 11 21.922 -16.390 0.552 1.00 44.10 H new ATOM 176 N ASN A 12 23.936 -9.418 1.930 1.00 22.53 N ATOM 177 CA ASN A 12 23.054 -8.625 1.082 1.00 63.11 C ATOM 178 C ASN A 12 21.657 -9.235 1.029 1.00 32.10 C ATOM 179 O ASN A 12 21.458 -10.306 0.457 1.00 41.15 O ATOM 180 CB ASN A 12 23.631 -8.520 -0.331 1.00 72.15 C ATOM 181 CG ASN A 12 22.553 -8.536 -1.398 1.00 50.52 C ATOM 182 OD1 ASN A 12 22.400 -9.515 -2.128 1.00 64.10 O ATOM 183 ND2 ASN A 12 21.799 -7.446 -1.493 1.00 62.42 N ATOM 0 H ASN A 12 24.281 -8.927 2.755 1.00 22.53 H new ATOM 0 HA ASN A 12 22.978 -7.626 1.512 1.00 63.11 H new ATOM 0 HB2 ASN A 12 24.210 -7.600 -0.417 1.00 72.15 H new ATOM 0 HB3 ASN A 12 24.320 -9.347 -0.502 1.00 72.15 H new ATOM 0 HD21 ASN A 12 21.058 -7.398 -2.192 1.00 62.42 H new ATOM 0 HD22 ASN A 12 21.961 -6.657 -0.867 1.00 62.42 H new ATOM 190 N GLU A 13 20.693 -8.545 1.630 1.00 54.31 N ATOM 191 CA GLU A 13 19.314 -9.019 1.651 1.00 31.10 C ATOM 192 C GLU A 13 18.387 -7.970 2.258 1.00 53.23 C ATOM 193 O GLU A 13 18.315 -7.819 3.478 1.00 44.33 O ATOM 194 CB GLU A 13 19.212 -10.324 2.443 1.00 24.31 C ATOM 195 CG GLU A 13 18.700 -11.496 1.622 1.00 11.05 C ATOM 196 CD GLU A 13 18.486 -12.744 2.457 1.00 11.43 C ATOM 197 OE1 GLU A 13 18.801 -12.709 3.665 1.00 32.54 O ATOM 198 OE2 GLU A 13 18.004 -13.754 1.903 1.00 1.52 O ATOM 0 H GLU A 13 20.841 -7.657 2.109 1.00 54.31 H new ATOM 0 HA GLU A 13 19.004 -9.201 0.622 1.00 31.10 H new ATOM 0 HB2 GLU A 13 20.194 -10.574 2.844 1.00 24.31 H new ATOM 0 HB3 GLU A 13 18.550 -10.171 3.295 1.00 24.31 H new ATOM 0 HG2 GLU A 13 17.761 -11.217 1.144 1.00 11.05 H new ATOM 0 HG3 GLU A 13 19.410 -11.714 0.825 1.00 11.05 H new ATOM 205 N CYS A 14 17.678 -7.247 1.397 1.00 2.51 N ATOM 206 CA CYS A 14 16.756 -6.210 1.846 1.00 70.43 C ATOM 207 C CYS A 14 15.527 -6.826 2.508 1.00 55.14 C ATOM 208 O CYS A 14 14.738 -7.515 1.860 1.00 52.51 O ATOM 209 CB CYS A 14 16.329 -5.333 0.667 1.00 31.31 C ATOM 210 SG CYS A 14 15.281 -3.919 1.134 1.00 13.44 S ATOM 0 H CYS A 14 17.724 -7.360 0.384 1.00 2.51 H new ATOM 0 HA CYS A 14 17.272 -5.592 2.581 1.00 70.43 H new ATOM 0 HB2 CYS A 14 17.221 -4.960 0.164 1.00 31.31 H new ATOM 0 HB3 CYS A 14 15.790 -5.948 -0.054 1.00 31.31 H new ATOM 215 N LYS A 15 15.370 -6.573 3.802 1.00 14.35 N ATOM 216 CA LYS A 15 14.236 -7.099 4.554 1.00 63.43 C ATOM 217 C LYS A 15 12.996 -6.236 4.345 1.00 63.14 C ATOM 218 O LYS A 15 13.094 -5.018 4.193 1.00 25.13 O ATOM 219 CB LYS A 15 14.575 -7.171 6.044 1.00 23.24 C ATOM 220 CG LYS A 15 13.353 -7.171 6.947 1.00 44.23 C ATOM 221 CD LYS A 15 13.600 -7.962 8.220 1.00 23.30 C ATOM 222 CE LYS A 15 14.695 -7.330 9.066 1.00 65.45 C ATOM 223 NZ LYS A 15 14.270 -6.022 9.636 1.00 24.33 N ATOM 0 H LYS A 15 16.014 -6.006 4.353 1.00 14.35 H new ATOM 0 HA LYS A 15 14.024 -8.103 4.187 1.00 63.43 H new ATOM 0 HB2 LYS A 15 15.156 -8.074 6.233 1.00 23.24 H new ATOM 0 HB3 LYS A 15 15.209 -6.324 6.305 1.00 23.24 H new ATOM 0 HG2 LYS A 15 13.087 -6.145 7.201 1.00 44.23 H new ATOM 0 HG3 LYS A 15 12.504 -7.597 6.412 1.00 44.23 H new ATOM 0 HD2 LYS A 15 12.678 -8.018 8.799 1.00 23.30 H new ATOM 0 HD3 LYS A 15 13.880 -8.984 7.966 1.00 23.30 H new ATOM 0 HE2 LYS A 15 14.966 -8.008 9.875 1.00 65.45 H new ATOM 0 HE3 LYS A 15 15.588 -7.188 8.457 1.00 65.45 H new ATOM 0 HZ1 LYS A 15 14.978 -5.697 10.324 1.00 24.33 H new ATOM 0 HZ2 LYS A 15 14.183 -5.322 8.872 1.00 24.33 H new ATOM 0 HZ3 LYS A 15 13.351 -6.132 10.111 1.00 24.33 H new ATOM 237 N TYR A 16 11.831 -6.874 4.338 1.00 23.05 N ATOM 238 CA TYR A 16 10.572 -6.164 4.147 1.00 22.10 C ATOM 239 C TYR A 16 9.388 -7.037 4.551 1.00 12.32 C ATOM 240 O TYR A 16 9.561 -8.166 5.009 1.00 32.42 O ATOM 241 CB TYR A 16 10.425 -5.729 2.688 1.00 12.52 C ATOM 242 CG TYR A 16 10.026 -6.852 1.758 1.00 23.11 C ATOM 243 CD1 TYR A 16 8.721 -6.967 1.295 1.00 21.14 C ATOM 244 CD2 TYR A 16 10.954 -7.799 1.343 1.00 61.10 C ATOM 245 CE1 TYR A 16 8.352 -7.992 0.446 1.00 20.31 C ATOM 246 CE2 TYR A 16 10.594 -8.827 0.493 1.00 44.33 C ATOM 247 CZ TYR A 16 9.292 -8.919 0.047 1.00 23.23 C ATOM 248 OH TYR A 16 8.930 -9.942 -0.799 1.00 33.24 O ATOM 0 H TYR A 16 11.732 -7.882 4.462 1.00 23.05 H new ATOM 0 HA TYR A 16 10.582 -5.280 4.784 1.00 22.10 H new ATOM 0 HB2 TYR A 16 9.679 -4.936 2.627 1.00 12.52 H new ATOM 0 HB3 TYR A 16 11.369 -5.305 2.347 1.00 12.52 H new ATOM 0 HD1 TYR A 16 7.982 -6.242 1.604 1.00 21.14 H new ATOM 0 HD2 TYR A 16 11.974 -7.730 1.691 1.00 61.10 H new ATOM 0 HE1 TYR A 16 7.333 -8.067 0.096 1.00 20.31 H new ATOM 0 HE2 TYR A 16 11.328 -9.555 0.179 1.00 44.33 H new ATOM 0 HH TYR A 16 9.735 -10.359 -1.171 1.00 33.24 H new ATOM 258 N LYS A 17 8.183 -6.504 4.378 1.00 72.45 N ATOM 259 CA LYS A 17 6.967 -7.233 4.721 1.00 3.32 C ATOM 260 C LYS A 17 6.041 -7.346 3.515 1.00 41.35 C ATOM 261 O LYS A 17 5.976 -6.441 2.684 1.00 53.41 O ATOM 262 CB LYS A 17 6.239 -6.536 5.873 1.00 62.11 C ATOM 263 CG LYS A 17 5.974 -5.062 5.622 1.00 44.31 C ATOM 264 CD LYS A 17 6.581 -4.193 6.711 1.00 45.24 C ATOM 265 CE LYS A 17 5.623 -4.010 7.877 1.00 14.31 C ATOM 266 NZ LYS A 17 6.106 -2.977 8.835 1.00 34.33 N ATOM 0 H LYS A 17 8.022 -5.569 4.002 1.00 72.45 H new ATOM 0 HA LYS A 17 7.251 -8.238 5.033 1.00 3.32 H new ATOM 0 HB2 LYS A 17 5.290 -7.042 6.051 1.00 62.11 H new ATOM 0 HB3 LYS A 17 6.831 -6.640 6.782 1.00 62.11 H new ATOM 0 HG2 LYS A 17 6.388 -4.777 4.655 1.00 44.31 H new ATOM 0 HG3 LYS A 17 4.899 -4.888 5.573 1.00 44.31 H new ATOM 0 HD2 LYS A 17 7.506 -4.647 7.067 1.00 45.24 H new ATOM 0 HD3 LYS A 17 6.842 -3.219 6.297 1.00 45.24 H new ATOM 0 HE2 LYS A 17 4.641 -3.724 7.499 1.00 14.31 H new ATOM 0 HE3 LYS A 17 5.500 -4.959 8.398 1.00 14.31 H new ATOM 0 HZ1 LYS A 17 5.425 -2.882 9.615 1.00 34.33 H new ATOM 0 HZ2 LYS A 17 7.031 -3.262 9.215 1.00 34.33 H new ATOM 0 HZ3 LYS A 17 6.199 -2.065 8.344 1.00 34.33 H new ATOM 280 N ASN A 18 5.326 -8.462 3.426 1.00 71.43 N ATOM 281 CA ASN A 18 4.402 -8.693 2.321 1.00 44.33 C ATOM 282 C ASN A 18 3.093 -9.293 2.822 1.00 32.34 C ATOM 283 O ASN A 18 2.012 -8.916 2.371 1.00 55.22 O ATOM 284 CB ASN A 18 5.037 -9.620 1.283 1.00 64.42 C ATOM 285 CG ASN A 18 5.197 -11.039 1.796 1.00 53.44 C ATOM 286 OD1 ASN A 18 4.586 -11.971 1.274 1.00 73.41 O ATOM 287 ND2 ASN A 18 6.021 -11.207 2.823 1.00 13.03 N ATOM 0 H ASN A 18 5.368 -9.221 4.106 1.00 71.43 H new ATOM 0 HA ASN A 18 4.185 -7.732 1.855 1.00 44.33 H new ATOM 0 HB2 ASN A 18 4.422 -9.629 0.383 1.00 64.42 H new ATOM 0 HB3 ASN A 18 6.013 -9.227 0.998 1.00 64.42 H new ATOM 0 HD21 ASN A 18 6.169 -12.139 3.211 1.00 13.03 H new ATOM 0 HD22 ASN A 18 6.507 -10.405 3.224 1.00 13.03 H new ATOM 294 N ASP A 19 3.198 -10.230 3.759 1.00 43.41 N ATOM 295 CA ASP A 19 2.023 -10.882 4.324 1.00 53.21 C ATOM 296 C ASP A 19 1.595 -10.203 5.621 1.00 4.43 C ATOM 297 O ASP A 19 1.046 -10.843 6.517 1.00 72.12 O ATOM 298 CB ASP A 19 2.308 -12.363 4.579 1.00 52.32 C ATOM 299 CG ASP A 19 1.279 -13.270 3.933 1.00 41.11 C ATOM 300 OD1 ASP A 19 0.382 -13.758 4.653 1.00 45.23 O ATOM 301 OD2 ASP A 19 1.370 -13.491 2.707 1.00 20.25 O ATOM 0 H ASP A 19 4.086 -10.555 4.143 1.00 43.41 H new ATOM 0 HA ASP A 19 1.209 -10.795 3.604 1.00 53.21 H new ATOM 0 HB2 ASP A 19 3.298 -12.611 4.196 1.00 52.32 H new ATOM 0 HB3 ASP A 19 2.327 -12.547 5.653 1.00 52.32 H new ATOM 306 N ALA A 20 1.853 -8.902 5.715 1.00 30.22 N ATOM 307 CA ALA A 20 1.494 -8.136 6.902 1.00 23.23 C ATOM 308 C ALA A 20 2.419 -8.467 8.069 1.00 35.12 C ATOM 309 O ALA A 20 1.961 -8.730 9.181 1.00 44.13 O ATOM 310 CB ALA A 20 0.045 -8.400 7.283 1.00 61.41 C ATOM 0 H ALA A 20 2.309 -8.357 4.983 1.00 30.22 H new ATOM 0 HA ALA A 20 1.609 -7.077 6.670 1.00 23.23 H new ATOM 0 HB1 ALA A 20 -0.209 -7.821 8.171 1.00 61.41 H new ATOM 0 HB2 ALA A 20 -0.607 -8.107 6.460 1.00 61.41 H new ATOM 0 HB3 ALA A 20 -0.089 -9.462 7.491 1.00 61.41 H new ATOM 316 N GLY A 21 3.722 -8.453 7.808 1.00 23.12 N ATOM 317 CA GLY A 21 4.690 -8.754 8.847 1.00 60.32 C ATOM 318 C GLY A 21 5.658 -9.847 8.438 1.00 1.21 C ATOM 319 O GLY A 21 6.763 -9.940 8.973 1.00 61.01 O ATOM 0 H GLY A 21 4.125 -8.239 6.896 1.00 23.12 H new ATOM 0 HA2 GLY A 21 5.249 -7.851 9.091 1.00 60.32 H new ATOM 0 HA3 GLY A 21 4.164 -9.058 9.752 1.00 60.32 H new ATOM 323 N LYS A 22 5.243 -10.678 7.488 1.00 41.31 N ATOM 324 CA LYS A 22 6.080 -11.770 7.007 1.00 24.31 C ATOM 325 C LYS A 22 7.470 -11.266 6.630 1.00 54.31 C ATOM 326 O LYS A 22 7.653 -10.651 5.579 1.00 60.41 O ATOM 327 CB LYS A 22 5.427 -12.448 5.800 1.00 2.33 C ATOM 328 CG LYS A 22 4.767 -13.775 6.131 1.00 13.24 C ATOM 329 CD LYS A 22 4.676 -14.673 4.909 1.00 0.11 C ATOM 330 CE LYS A 22 3.386 -15.478 4.904 1.00 73.23 C ATOM 331 NZ LYS A 22 3.633 -16.923 5.166 1.00 73.24 N ATOM 0 H LYS A 22 4.331 -10.616 7.036 1.00 41.31 H new ATOM 0 HA LYS A 22 6.183 -12.497 7.813 1.00 24.31 H new ATOM 0 HB2 LYS A 22 4.680 -11.776 5.376 1.00 2.33 H new ATOM 0 HB3 LYS A 22 6.183 -12.610 5.032 1.00 2.33 H new ATOM 0 HG2 LYS A 22 5.335 -14.280 6.913 1.00 13.24 H new ATOM 0 HG3 LYS A 22 3.768 -13.596 6.528 1.00 13.24 H new ATOM 0 HD2 LYS A 22 4.731 -14.066 4.005 1.00 0.11 H new ATOM 0 HD3 LYS A 22 5.529 -15.351 4.890 1.00 0.11 H new ATOM 0 HE2 LYS A 22 2.708 -15.082 5.660 1.00 73.23 H new ATOM 0 HE3 LYS A 22 2.890 -15.363 3.940 1.00 73.23 H new ATOM 0 HZ1 LYS A 22 2.729 -17.437 5.154 1.00 73.24 H new ATOM 0 HZ2 LYS A 22 4.259 -17.307 4.430 1.00 73.24 H new ATOM 0 HZ3 LYS A 22 4.083 -17.035 6.097 1.00 73.24 H new ATOM 345 N ASP A 23 8.444 -11.530 7.493 1.00 64.22 N ATOM 346 CA ASP A 23 9.818 -11.105 7.249 1.00 72.14 C ATOM 347 C ASP A 23 10.386 -11.790 6.010 1.00 44.34 C ATOM 348 O ASP A 23 10.840 -12.933 6.071 1.00 3.12 O ATOM 349 CB ASP A 23 10.693 -11.414 8.464 1.00 5.51 C ATOM 350 CG ASP A 23 10.401 -12.778 9.057 1.00 43.02 C ATOM 351 OD1 ASP A 23 9.469 -12.880 9.882 1.00 53.35 O ATOM 352 OD2 ASP A 23 11.105 -13.744 8.695 1.00 34.35 O ATOM 0 H ASP A 23 8.308 -12.036 8.368 1.00 64.22 H new ATOM 0 HA ASP A 23 9.815 -10.029 7.078 1.00 72.14 H new ATOM 0 HB2 ASP A 23 11.743 -11.364 8.174 1.00 5.51 H new ATOM 0 HB3 ASP A 23 10.536 -10.649 9.225 1.00 5.51 H new ATOM 357 N THR A 24 10.358 -11.083 4.884 1.00 71.44 N ATOM 358 CA THR A 24 10.868 -11.623 3.630 1.00 71.24 C ATOM 359 C THR A 24 12.163 -10.932 3.220 1.00 4.10 C ATOM 360 O THR A 24 12.217 -9.707 3.111 1.00 5.21 O ATOM 361 CB THR A 24 9.838 -11.474 2.494 1.00 44.03 C ATOM 362 OG1 THR A 24 8.603 -12.093 2.868 1.00 14.01 O ATOM 363 CG2 THR A 24 10.356 -12.101 1.208 1.00 3.11 C ATOM 0 H THR A 24 9.987 -10.135 4.815 1.00 71.44 H new ATOM 0 HA THR A 24 11.062 -12.682 3.798 1.00 71.24 H new ATOM 0 HB THR A 24 9.673 -10.411 2.321 1.00 44.03 H new ATOM 0 HG1 THR A 24 8.147 -12.423 2.066 1.00 14.01 H new ATOM 0 HG21 THR A 24 9.612 -11.983 0.420 1.00 3.11 H new ATOM 0 HG22 THR A 24 11.281 -11.608 0.910 1.00 3.11 H new ATOM 0 HG23 THR A 24 10.547 -13.162 1.371 1.00 3.11 H new ATOM 371 N PHE A 25 13.206 -11.725 2.993 1.00 15.33 N ATOM 372 CA PHE A 25 14.502 -11.188 2.595 1.00 31.35 C ATOM 373 C PHE A 25 14.696 -11.297 1.086 1.00 75.31 C ATOM 374 O PHE A 25 14.550 -12.374 0.507 1.00 30.41 O ATOM 375 CB PHE A 25 15.628 -11.928 3.320 1.00 30.52 C ATOM 376 CG PHE A 25 15.350 -12.164 4.777 1.00 10.14 C ATOM 377 CD1 PHE A 25 15.342 -11.108 5.674 1.00 10.12 C ATOM 378 CD2 PHE A 25 15.097 -13.442 5.250 1.00 2.53 C ATOM 379 CE1 PHE A 25 15.086 -11.321 7.016 1.00 41.03 C ATOM 380 CE2 PHE A 25 14.840 -13.661 6.590 1.00 3.35 C ATOM 381 CZ PHE A 25 14.836 -12.599 7.474 1.00 30.45 C ATOM 0 H PHE A 25 13.179 -12.741 3.078 1.00 15.33 H new ATOM 0 HA PHE A 25 14.531 -10.134 2.872 1.00 31.35 H new ATOM 0 HB2 PHE A 25 15.796 -12.887 2.830 1.00 30.52 H new ATOM 0 HB3 PHE A 25 16.550 -11.355 3.223 1.00 30.52 H new ATOM 0 HD1 PHE A 25 15.538 -10.106 5.321 1.00 10.12 H new ATOM 0 HD2 PHE A 25 15.101 -14.276 4.564 1.00 2.53 H new ATOM 0 HE1 PHE A 25 15.082 -10.489 7.705 1.00 41.03 H new ATOM 0 HE2 PHE A 25 14.642 -14.661 6.946 1.00 3.35 H new ATOM 0 HZ PHE A 25 14.638 -12.769 8.522 1.00 30.45 H new ATOM 391 N ILE A 26 15.024 -10.175 0.455 1.00 13.10 N ATOM 392 CA ILE A 26 15.238 -10.144 -0.986 1.00 53.14 C ATOM 393 C ILE A 26 16.501 -9.365 -1.338 1.00 71.41 C ATOM 394 O ILE A 26 16.652 -8.202 -0.963 1.00 73.40 O ATOM 395 CB ILE A 26 14.039 -9.514 -1.720 1.00 60.01 C ATOM 396 CG1 ILE A 26 14.302 -9.468 -3.227 1.00 3.33 C ATOM 397 CG2 ILE A 26 13.763 -8.118 -1.182 1.00 72.00 C ATOM 398 CD1 ILE A 26 14.555 -10.828 -3.838 1.00 21.00 C ATOM 0 H ILE A 26 15.147 -9.275 0.919 1.00 13.10 H new ATOM 0 HA ILE A 26 15.350 -11.179 -1.310 1.00 53.14 H new ATOM 0 HB ILE A 26 13.158 -10.131 -1.543 1.00 60.01 H new ATOM 0 HG12 ILE A 26 13.447 -9.009 -3.723 1.00 3.33 H new ATOM 0 HG13 ILE A 26 15.163 -8.827 -3.418 1.00 3.33 H new ATOM 0 HG21 ILE A 26 12.913 -7.686 -1.710 1.00 72.00 H new ATOM 0 HG22 ILE A 26 13.537 -8.177 -0.117 1.00 72.00 H new ATOM 0 HG23 ILE A 26 14.641 -7.490 -1.332 1.00 72.00 H new ATOM 0 HD11 ILE A 26 14.734 -10.719 -4.908 1.00 21.00 H new ATOM 0 HD12 ILE A 26 15.428 -11.281 -3.369 1.00 21.00 H new ATOM 0 HD13 ILE A 26 13.686 -11.466 -3.679 1.00 21.00 H new ATOM 410 N LYS A 27 17.406 -10.014 -2.062 1.00 45.15 N ATOM 411 CA LYS A 27 18.657 -9.383 -2.469 1.00 15.11 C ATOM 412 C LYS A 27 18.390 -8.143 -3.317 1.00 32.41 C ATOM 413 O LYS A 27 17.252 -7.685 -3.423 1.00 40.44 O ATOM 414 CB LYS A 27 19.521 -10.374 -3.252 1.00 53.44 C ATOM 415 CG LYS A 27 19.637 -11.736 -2.590 1.00 53.42 C ATOM 416 CD LYS A 27 18.950 -12.815 -3.410 1.00 55.41 C ATOM 417 CE LYS A 27 19.478 -14.198 -3.065 1.00 30.42 C ATOM 418 NZ LYS A 27 20.285 -14.777 -4.175 1.00 2.34 N ATOM 0 H LYS A 27 17.297 -10.977 -2.379 1.00 45.15 H new ATOM 0 HA LYS A 27 19.191 -9.078 -1.569 1.00 15.11 H new ATOM 0 HB2 LYS A 27 19.101 -10.499 -4.250 1.00 53.44 H new ATOM 0 HB3 LYS A 27 20.519 -9.954 -3.376 1.00 53.44 H new ATOM 0 HG2 LYS A 27 20.689 -11.990 -2.461 1.00 53.42 H new ATOM 0 HG3 LYS A 27 19.194 -11.697 -1.595 1.00 53.42 H new ATOM 0 HD2 LYS A 27 17.875 -12.780 -3.232 1.00 55.41 H new ATOM 0 HD3 LYS A 27 19.104 -12.620 -4.471 1.00 55.41 H new ATOM 0 HE2 LYS A 27 20.089 -14.139 -2.164 1.00 30.42 H new ATOM 0 HE3 LYS A 27 18.642 -14.860 -2.840 1.00 30.42 H new ATOM 0 HZ1 LYS A 27 20.627 -15.720 -3.900 1.00 2.34 H new ATOM 0 HZ2 LYS A 27 19.695 -14.857 -5.028 1.00 2.34 H new ATOM 0 HZ3 LYS A 27 21.097 -14.159 -4.373 1.00 2.34 H new ATOM 432 N CYS A 28 19.445 -7.606 -3.920 1.00 21.22 N ATOM 433 CA CYS A 28 19.325 -6.421 -4.760 1.00 3.55 C ATOM 434 C CYS A 28 19.569 -6.766 -6.226 1.00 14.31 C ATOM 435 O CYS A 28 20.647 -6.536 -6.773 1.00 5.01 O ATOM 436 CB CYS A 28 20.316 -5.346 -4.306 1.00 30.51 C ATOM 437 SG CYS A 28 19.730 -3.640 -4.559 1.00 65.25 S ATOM 0 H CYS A 28 20.393 -7.973 -3.842 1.00 21.22 H new ATOM 0 HA CYS A 28 18.310 -6.036 -4.660 1.00 3.55 H new ATOM 0 HB2 CYS A 28 20.533 -5.491 -3.248 1.00 30.51 H new ATOM 0 HB3 CYS A 28 21.254 -5.480 -4.845 1.00 30.51 H new ATOM 442 N PRO A 29 18.542 -7.331 -6.879 1.00 2.22 N ATOM 443 CA PRO A 29 18.619 -7.719 -8.290 1.00 63.03 C ATOM 444 C PRO A 29 18.675 -6.513 -9.221 1.00 52.52 C ATOM 445 O PRO A 29 19.059 -6.630 -10.385 1.00 24.11 O ATOM 446 CB PRO A 29 17.326 -8.507 -8.513 1.00 11.14 C ATOM 447 CG PRO A 29 16.383 -7.986 -7.483 1.00 43.03 C ATOM 448 CD PRO A 29 17.227 -7.634 -6.290 1.00 1.35 C ATOM 0 HA PRO A 29 19.523 -8.287 -8.507 1.00 63.03 H new ATOM 0 HB2 PRO A 29 16.937 -8.353 -9.520 1.00 11.14 H new ATOM 0 HB3 PRO A 29 17.490 -9.578 -8.395 1.00 11.14 H new ATOM 0 HG2 PRO A 29 15.845 -7.113 -7.852 1.00 43.03 H new ATOM 0 HG3 PRO A 29 15.635 -8.735 -7.224 1.00 43.03 H new ATOM 0 HD2 PRO A 29 16.822 -6.778 -5.750 1.00 1.35 H new ATOM 0 HD3 PRO A 29 17.285 -8.460 -5.581 1.00 1.35 H new ATOM 456 N LYS A 30 18.289 -5.352 -8.702 1.00 32.13 N ATOM 457 CA LYS A 30 18.296 -4.122 -9.485 1.00 71.42 C ATOM 458 C LYS A 30 19.682 -3.853 -10.063 1.00 32.40 C ATOM 459 O LYS A 30 19.865 -3.833 -11.280 1.00 75.34 O ATOM 460 CB LYS A 30 17.854 -2.940 -8.620 1.00 50.23 C ATOM 461 CG LYS A 30 16.641 -2.207 -9.166 1.00 52.23 C ATOM 462 CD LYS A 30 16.876 -1.720 -10.586 1.00 50.23 C ATOM 463 CE LYS A 30 15.952 -2.416 -11.574 1.00 43.43 C ATOM 464 NZ LYS A 30 16.155 -1.923 -12.965 1.00 1.32 N ATOM 0 H LYS A 30 17.967 -5.237 -7.741 1.00 32.13 H new ATOM 0 HA LYS A 30 17.594 -4.242 -10.311 1.00 71.42 H new ATOM 0 HB2 LYS A 30 17.629 -3.299 -7.616 1.00 50.23 H new ATOM 0 HB3 LYS A 30 18.682 -2.237 -8.529 1.00 50.23 H new ATOM 0 HG2 LYS A 30 15.775 -2.869 -9.146 1.00 52.23 H new ATOM 0 HG3 LYS A 30 16.408 -1.358 -8.523 1.00 52.23 H new ATOM 0 HD2 LYS A 30 16.716 -0.643 -10.633 1.00 50.23 H new ATOM 0 HD3 LYS A 30 17.914 -1.901 -10.867 1.00 50.23 H new ATOM 0 HE2 LYS A 30 16.128 -3.491 -11.540 1.00 43.43 H new ATOM 0 HE3 LYS A 30 14.915 -2.253 -11.279 1.00 43.43 H new ATOM 0 HZ1 LYS A 30 15.507 -2.421 -13.608 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 15.963 -0.902 -13.003 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 17.137 -2.101 -13.257 1.00 1.32 H new ATOM 478 N PHE A 31 20.656 -3.649 -9.182 1.00 55.41 N ATOM 479 CA PHE A 31 22.025 -3.381 -9.605 1.00 63.51 C ATOM 480 C PHE A 31 22.910 -4.605 -9.387 1.00 62.32 C ATOM 481 O PHE A 31 22.420 -5.694 -9.088 1.00 74.23 O ATOM 482 CB PHE A 31 22.594 -2.184 -8.840 1.00 75.40 C ATOM 483 CG PHE A 31 21.539 -1.251 -8.319 1.00 52.50 C ATOM 484 CD1 PHE A 31 21.136 -0.154 -9.064 1.00 61.13 C ATOM 485 CD2 PHE A 31 20.951 -1.469 -7.084 1.00 15.23 C ATOM 486 CE1 PHE A 31 20.166 0.707 -8.588 1.00 15.10 C ATOM 487 CE2 PHE A 31 19.979 -0.611 -6.602 1.00 63.44 C ATOM 488 CZ PHE A 31 19.587 0.479 -7.355 1.00 22.52 C ATOM 0 H PHE A 31 20.522 -3.664 -8.171 1.00 55.41 H new ATOM 0 HA PHE A 31 22.011 -3.149 -10.670 1.00 63.51 H new ATOM 0 HB2 PHE A 31 23.191 -2.548 -8.004 1.00 75.40 H new ATOM 0 HB3 PHE A 31 23.266 -1.630 -9.495 1.00 75.40 H new ATOM 0 HD1 PHE A 31 21.586 0.030 -10.028 1.00 61.13 H new ATOM 0 HD2 PHE A 31 21.255 -2.319 -6.491 1.00 15.23 H new ATOM 0 HE1 PHE A 31 19.861 1.558 -9.180 1.00 15.10 H new ATOM 0 HE2 PHE A 31 19.527 -0.793 -5.638 1.00 63.44 H new ATOM 0 HZ PHE A 31 18.829 1.151 -6.980 1.00 22.52 H new ATOM 498 N ASP A 32 24.216 -4.418 -9.540 1.00 5.23 N ATOM 499 CA ASP A 32 25.171 -5.505 -9.359 1.00 62.44 C ATOM 500 C ASP A 32 26.319 -5.076 -8.452 1.00 5.42 C ATOM 501 O ASP A 32 26.784 -5.848 -7.615 1.00 4.02 O ATOM 502 CB ASP A 32 25.718 -5.962 -10.713 1.00 31.12 C ATOM 503 CG ASP A 32 25.900 -7.465 -10.786 1.00 71.42 C ATOM 504 OD1 ASP A 32 25.016 -8.144 -11.351 1.00 42.43 O ATOM 505 OD2 ASP A 32 26.927 -7.964 -10.279 1.00 55.34 O ATOM 0 H ASP A 32 24.638 -3.523 -9.789 1.00 5.23 H new ATOM 0 HA ASP A 32 24.650 -6.337 -8.886 1.00 62.44 H new ATOM 0 HB2 ASP A 32 25.038 -5.642 -11.503 1.00 31.12 H new ATOM 0 HB3 ASP A 32 26.675 -5.474 -10.899 1.00 31.12 H new ATOM 510 N ASN A 33 26.773 -3.838 -8.625 1.00 34.20 N ATOM 511 CA ASN A 33 27.868 -3.306 -7.822 1.00 60.05 C ATOM 512 C ASN A 33 27.387 -2.161 -6.937 1.00 11.14 C ATOM 513 O ASN A 33 28.190 -1.419 -6.370 1.00 62.24 O ATOM 514 CB ASN A 33 29.003 -2.823 -8.728 1.00 22.24 C ATOM 515 CG ASN A 33 30.248 -3.680 -8.601 1.00 0.03 C ATOM 516 OD1 ASN A 33 30.798 -4.147 -9.598 1.00 60.01 O ATOM 517 ND2 ASN A 33 30.698 -3.891 -7.369 1.00 41.52 N ATOM 0 H ASN A 33 26.399 -3.185 -9.314 1.00 34.20 H new ATOM 0 HA ASN A 33 28.238 -4.106 -7.181 1.00 60.05 H new ATOM 0 HB2 ASN A 33 28.665 -2.829 -9.764 1.00 22.24 H new ATOM 0 HB3 ASN A 33 29.249 -1.791 -8.479 1.00 22.24 H new ATOM 0 HD21 ASN A 33 31.531 -4.460 -7.221 1.00 41.52 H new ATOM 0 HD22 ASN A 33 30.210 -3.484 -6.571 1.00 41.52 H new ATOM 524 N LYS A 34 26.071 -2.023 -6.820 1.00 55.14 N ATOM 525 CA LYS A 34 25.480 -0.970 -6.002 1.00 63.13 C ATOM 526 C LYS A 34 24.512 -1.555 -4.979 1.00 10.40 C ATOM 527 O LYS A 34 23.892 -0.823 -4.207 1.00 30.12 O ATOM 528 CB LYS A 34 24.753 0.044 -6.887 1.00 54.43 C ATOM 529 CG LYS A 34 25.561 0.490 -8.094 1.00 22.44 C ATOM 530 CD LYS A 34 26.801 1.263 -7.679 1.00 5.32 C ATOM 531 CE LYS A 34 27.038 2.464 -8.583 1.00 32.43 C ATOM 532 NZ LYS A 34 27.577 2.060 -9.911 1.00 3.13 N ATOM 0 H LYS A 34 25.392 -2.628 -7.282 1.00 55.14 H new ATOM 0 HA LYS A 34 26.284 -0.465 -5.467 1.00 63.13 H new ATOM 0 HB2 LYS A 34 23.815 -0.393 -7.230 1.00 54.43 H new ATOM 0 HB3 LYS A 34 24.498 0.918 -6.288 1.00 54.43 H new ATOM 0 HG2 LYS A 34 25.853 -0.382 -8.680 1.00 22.44 H new ATOM 0 HG3 LYS A 34 24.941 1.113 -8.738 1.00 22.44 H new ATOM 0 HD2 LYS A 34 26.694 1.598 -6.647 1.00 5.32 H new ATOM 0 HD3 LYS A 34 27.669 0.605 -7.712 1.00 5.32 H new ATOM 0 HE2 LYS A 34 26.102 3.006 -8.720 1.00 32.43 H new ATOM 0 HE3 LYS A 34 27.735 3.149 -8.101 1.00 32.43 H new ATOM 0 HZ1 LYS A 34 27.725 2.906 -10.498 1.00 3.13 H new ATOM 0 HZ2 LYS A 34 28.483 1.565 -9.782 1.00 3.13 H new ATOM 0 HZ3 LYS A 34 26.900 1.426 -10.382 1.00 3.13 H new ATOM 546 N LYS A 35 24.388 -2.877 -4.977 1.00 75.53 N ATOM 547 CA LYS A 35 23.497 -3.562 -4.047 1.00 40.52 C ATOM 548 C LYS A 35 23.734 -3.086 -2.617 1.00 42.14 C ATOM 549 O LYS A 35 24.743 -2.443 -2.325 1.00 63.53 O ATOM 550 CB LYS A 35 23.702 -5.076 -4.133 1.00 10.31 C ATOM 551 CG LYS A 35 25.162 -5.494 -4.108 1.00 32.20 C ATOM 552 CD LYS A 35 25.774 -5.300 -2.731 1.00 43.20 C ATOM 553 CE LYS A 35 26.970 -6.216 -2.518 1.00 54.03 C ATOM 554 NZ LYS A 35 27.970 -6.085 -3.613 1.00 64.32 N ATOM 0 H LYS A 35 24.894 -3.497 -5.610 1.00 75.53 H new ATOM 0 HA LYS A 35 22.470 -3.325 -4.325 1.00 40.52 H new ATOM 0 HB2 LYS A 35 23.182 -5.552 -3.302 1.00 10.31 H new ATOM 0 HB3 LYS A 35 23.243 -5.445 -5.050 1.00 10.31 H new ATOM 0 HG2 LYS A 35 25.247 -6.541 -4.401 1.00 32.20 H new ATOM 0 HG3 LYS A 35 25.721 -4.912 -4.841 1.00 32.20 H new ATOM 0 HD2 LYS A 35 26.084 -4.262 -2.613 1.00 43.20 H new ATOM 0 HD3 LYS A 35 25.022 -5.497 -1.967 1.00 43.20 H new ATOM 0 HE2 LYS A 35 27.443 -5.981 -1.564 1.00 54.03 H new ATOM 0 HE3 LYS A 35 26.630 -7.250 -2.459 1.00 54.03 H new ATOM 0 HZ1 LYS A 35 28.863 -6.533 -3.323 1.00 64.32 H new ATOM 0 HZ2 LYS A 35 27.610 -6.552 -4.470 1.00 64.32 H new ATOM 0 HZ3 LYS A 35 28.137 -5.078 -3.812 1.00 64.32 H new ATOM 568 N CYS A 36 22.799 -3.406 -1.729 1.00 62.43 N ATOM 569 CA CYS A 36 22.906 -3.013 -0.330 1.00 24.24 C ATOM 570 C CYS A 36 24.261 -3.417 0.247 1.00 55.14 C ATOM 571 O CYS A 36 24.563 -4.603 0.380 1.00 60.20 O ATOM 572 CB CYS A 36 21.781 -3.650 0.488 1.00 23.25 C ATOM 573 SG CYS A 36 20.202 -2.746 0.411 1.00 73.14 S ATOM 0 H CYS A 36 21.958 -3.937 -1.954 1.00 62.43 H new ATOM 0 HA CYS A 36 22.816 -1.928 -0.276 1.00 24.24 H new ATOM 0 HB2 CYS A 36 21.622 -4.669 0.135 1.00 23.25 H new ATOM 0 HB3 CYS A 36 22.097 -3.719 1.529 1.00 23.25 H new ATOM 578 N THR A 37 25.073 -2.421 0.588 1.00 61.35 N ATOM 579 CA THR A 37 26.395 -2.671 1.148 1.00 32.44 C ATOM 580 C THR A 37 26.527 -2.059 2.538 1.00 21.11 C ATOM 581 O THR A 37 27.600 -1.593 2.923 1.00 33.23 O ATOM 582 CB THR A 37 27.505 -2.106 0.243 1.00 64.30 C ATOM 583 OG1 THR A 37 27.152 -0.792 -0.203 1.00 64.34 O ATOM 584 CG2 THR A 37 27.737 -3.010 -0.958 1.00 75.44 C ATOM 0 H THR A 37 24.838 -1.434 0.486 1.00 61.35 H new ATOM 0 HA THR A 37 26.510 -3.753 1.217 1.00 32.44 H new ATOM 0 HB THR A 37 28.426 -2.057 0.823 1.00 64.30 H new ATOM 0 HG1 THR A 37 27.864 -0.439 -0.777 1.00 64.34 H new ATOM 0 HG21 THR A 37 28.525 -2.590 -1.583 1.00 75.44 H new ATOM 0 HG22 THR A 37 28.035 -4.001 -0.615 1.00 75.44 H new ATOM 0 HG23 THR A 37 26.817 -3.088 -1.538 1.00 75.44 H new ATOM 592 N LYS A 38 25.430 -2.063 3.288 1.00 25.43 N ATOM 593 CA LYS A 38 25.424 -1.510 4.637 1.00 35.13 C ATOM 594 C LYS A 38 24.449 -2.270 5.532 1.00 44.10 C ATOM 595 O LYS A 38 23.495 -2.879 5.049 1.00 34.13 O ATOM 596 CB LYS A 38 25.048 -0.027 4.601 1.00 41.04 C ATOM 597 CG LYS A 38 26.125 0.887 5.159 1.00 10.01 C ATOM 598 CD LYS A 38 25.820 1.299 6.589 1.00 13.43 C ATOM 599 CE LYS A 38 25.070 2.622 6.640 1.00 4.12 C ATOM 600 NZ LYS A 38 25.568 3.499 7.736 1.00 54.51 N ATOM 0 H LYS A 38 24.534 -2.443 2.984 1.00 25.43 H new ATOM 0 HA LYS A 38 26.427 -1.615 5.050 1.00 35.13 H new ATOM 0 HB2 LYS A 38 24.837 0.261 3.571 1.00 41.04 H new ATOM 0 HB3 LYS A 38 24.129 0.120 5.168 1.00 41.04 H new ATOM 0 HG2 LYS A 38 27.089 0.379 5.123 1.00 10.01 H new ATOM 0 HG3 LYS A 38 26.209 1.776 4.533 1.00 10.01 H new ATOM 0 HD2 LYS A 38 25.226 0.524 7.073 1.00 13.43 H new ATOM 0 HD3 LYS A 38 26.750 1.385 7.150 1.00 13.43 H new ATOM 0 HE2 LYS A 38 25.177 3.137 5.685 1.00 4.12 H new ATOM 0 HE3 LYS A 38 24.006 2.431 6.782 1.00 4.12 H new ATOM 0 HZ1 LYS A 38 25.032 4.390 7.738 1.00 54.51 H new ATOM 0 HZ2 LYS A 38 25.443 3.018 8.650 1.00 54.51 H new ATOM 0 HZ3 LYS A 38 26.577 3.702 7.587 1.00 54.51 H new ATOM 614 N ASP A 39 24.696 -2.228 6.837 1.00 61.44 N ATOM 615 CA ASP A 39 23.839 -2.911 7.799 1.00 51.01 C ATOM 616 C ASP A 39 22.693 -2.007 8.242 1.00 35.42 C ATOM 617 O ASP A 39 22.916 -0.921 8.775 1.00 32.30 O ATOM 618 CB ASP A 39 24.654 -3.355 9.015 1.00 72.44 C ATOM 619 CG ASP A 39 25.676 -4.420 8.669 1.00 71.25 C ATOM 620 OD1 ASP A 39 26.884 -4.103 8.660 1.00 20.13 O ATOM 621 OD2 ASP A 39 25.268 -5.571 8.407 1.00 51.12 O ATOM 0 H ASP A 39 25.482 -1.728 7.253 1.00 61.44 H new ATOM 0 HA ASP A 39 23.418 -3.791 7.313 1.00 51.01 H new ATOM 0 HB2 ASP A 39 25.164 -2.491 9.442 1.00 72.44 H new ATOM 0 HB3 ASP A 39 23.979 -3.738 9.781 1.00 72.44 H new ATOM 626 N ASN A 40 21.465 -2.464 8.017 1.00 72.01 N ATOM 627 CA ASN A 40 20.283 -1.696 8.392 1.00 50.04 C ATOM 628 C ASN A 40 20.205 -0.396 7.598 1.00 40.45 C ATOM 629 O ASN A 40 19.887 0.659 8.145 1.00 52.34 O ATOM 630 CB ASN A 40 20.302 -1.391 9.891 1.00 53.12 C ATOM 631 CG ASN A 40 20.665 -2.605 10.723 1.00 24.04 C ATOM 632 OD1 ASN A 40 19.859 -3.520 10.892 1.00 2.02 O ATOM 633 ND2 ASN A 40 21.885 -2.618 11.249 1.00 71.11 N ATOM 0 H ASN A 40 21.263 -3.362 7.577 1.00 72.01 H new ATOM 0 HA ASN A 40 19.402 -2.295 8.161 1.00 50.04 H new ATOM 0 HB2 ASN A 40 21.017 -0.592 10.087 1.00 53.12 H new ATOM 0 HB3 ASN A 40 19.322 -1.024 10.197 1.00 53.12 H new ATOM 0 HD21 ASN A 40 22.186 -3.408 11.819 1.00 71.11 H new ATOM 0 HD22 ASN A 40 22.520 -1.838 11.083 1.00 71.11 H new ATOM 640 N ASN A 41 20.497 -0.480 6.304 1.00 64.22 N ATOM 641 CA ASN A 41 20.460 0.690 5.434 1.00 64.33 C ATOM 642 C ASN A 41 19.027 1.024 5.032 1.00 60.41 C ATOM 643 O ASN A 41 18.072 0.467 5.574 1.00 23.33 O ATOM 644 CB ASN A 41 21.309 0.449 4.184 1.00 64.42 C ATOM 645 CG ASN A 41 20.812 -0.727 3.365 1.00 53.32 C ATOM 646 OD1 ASN A 41 19.835 -0.612 2.624 1.00 30.22 O ATOM 647 ND2 ASN A 41 21.483 -1.865 3.495 1.00 42.11 N ATOM 0 H ASN A 41 20.762 -1.346 5.835 1.00 64.22 H new ATOM 0 HA ASN A 41 20.870 1.535 5.986 1.00 64.33 H new ATOM 0 HB2 ASN A 41 21.304 1.347 3.566 1.00 64.42 H new ATOM 0 HB3 ASN A 41 22.343 0.271 4.479 1.00 64.42 H new ATOM 0 HD21 ASN A 41 21.195 -2.690 2.969 1.00 42.11 H new ATOM 0 HD22 ASN A 41 22.287 -1.914 4.121 1.00 42.11 H new ATOM 654 N LYS A 42 18.884 1.936 4.077 1.00 55.30 N ATOM 655 CA LYS A 42 17.568 2.345 3.600 1.00 73.55 C ATOM 656 C LYS A 42 17.255 1.703 2.251 1.00 0.24 C ATOM 657 O LYS A 42 17.877 2.027 1.239 1.00 13.21 O ATOM 658 CB LYS A 42 17.496 3.869 3.480 1.00 31.52 C ATOM 659 CG LYS A 42 18.072 4.600 4.680 1.00 13.41 C ATOM 660 CD LYS A 42 17.257 5.836 5.023 1.00 12.13 C ATOM 661 CE LYS A 42 18.150 7.043 5.268 1.00 20.41 C ATOM 662 NZ LYS A 42 17.444 8.322 4.982 1.00 2.35 N ATOM 0 H LYS A 42 19.664 2.406 3.618 1.00 55.30 H new ATOM 0 HA LYS A 42 16.826 2.009 4.324 1.00 73.55 H new ATOM 0 HB2 LYS A 42 18.032 4.180 2.583 1.00 31.52 H new ATOM 0 HB3 LYS A 42 16.456 4.166 3.349 1.00 31.52 H new ATOM 0 HG2 LYS A 42 18.096 3.929 5.539 1.00 13.41 H new ATOM 0 HG3 LYS A 42 19.102 4.889 4.472 1.00 13.41 H new ATOM 0 HD2 LYS A 42 16.565 6.054 4.210 1.00 12.13 H new ATOM 0 HD3 LYS A 42 16.655 5.641 5.911 1.00 12.13 H new ATOM 0 HE2 LYS A 42 18.490 7.039 6.304 1.00 20.41 H new ATOM 0 HE3 LYS A 42 19.039 6.971 4.641 1.00 20.41 H new ATOM 0 HZ1 LYS A 42 18.086 9.120 5.161 1.00 2.35 H new ATOM 0 HZ2 LYS A 42 17.142 8.337 3.987 1.00 2.35 H new ATOM 0 HZ3 LYS A 42 16.610 8.403 5.598 1.00 2.35 H new ATOM 676 N CYS A 43 16.287 0.793 2.245 1.00 60.13 N ATOM 677 CA CYS A 43 15.891 0.107 1.021 1.00 35.51 C ATOM 678 C CYS A 43 14.402 -0.228 1.043 1.00 12.00 C ATOM 679 O CYS A 43 13.863 -0.648 2.068 1.00 53.33 O ATOM 680 CB CYS A 43 16.709 -1.173 0.841 1.00 24.31 C ATOM 681 SG CYS A 43 16.323 -2.480 2.050 1.00 13.45 S ATOM 0 H CYS A 43 15.762 0.514 3.074 1.00 60.13 H new ATOM 0 HA CYS A 43 16.084 0.775 0.181 1.00 35.51 H new ATOM 0 HB2 CYS A 43 16.540 -1.561 -0.163 1.00 24.31 H new ATOM 0 HB3 CYS A 43 17.768 -0.927 0.914 1.00 24.31 H new ATOM 686 N THR A 44 13.742 -0.039 -0.095 1.00 74.35 N ATOM 687 CA THR A 44 12.316 -0.320 -0.208 1.00 12.43 C ATOM 688 C THR A 44 12.049 -1.411 -1.238 1.00 44.55 C ATOM 689 O THR A 44 12.550 -1.353 -2.362 1.00 15.31 O ATOM 690 CB THR A 44 11.524 0.943 -0.597 1.00 10.02 C ATOM 691 OG1 THR A 44 11.879 1.355 -1.921 1.00 42.24 O ATOM 692 CG2 THR A 44 11.796 2.075 0.382 1.00 13.31 C ATOM 0 H THR A 44 14.172 0.308 -0.952 1.00 74.35 H new ATOM 0 HA THR A 44 11.983 -0.662 0.772 1.00 12.43 H new ATOM 0 HB THR A 44 10.461 0.703 -0.564 1.00 10.02 H new ATOM 0 HG1 THR A 44 11.786 2.328 -1.997 1.00 42.24 H new ATOM 0 HG21 THR A 44 11.226 2.956 0.087 1.00 13.31 H new ATOM 0 HG22 THR A 44 11.497 1.769 1.385 1.00 13.31 H new ATOM 0 HG23 THR A 44 12.860 2.313 0.377 1.00 13.31 H new ATOM 700 N VAL A 45 11.258 -2.405 -0.850 1.00 33.13 N ATOM 701 CA VAL A 45 10.923 -3.509 -1.741 1.00 61.14 C ATOM 702 C VAL A 45 9.587 -3.269 -2.436 1.00 23.11 C ATOM 703 O VAL A 45 8.660 -2.715 -1.846 1.00 32.14 O ATOM 704 CB VAL A 45 10.860 -4.846 -0.980 1.00 22.42 C ATOM 705 CG1 VAL A 45 10.464 -5.977 -1.917 1.00 44.13 C ATOM 706 CG2 VAL A 45 12.194 -5.141 -0.310 1.00 12.53 C ATOM 0 H VAL A 45 10.837 -2.469 0.077 1.00 33.13 H new ATOM 0 HA VAL A 45 11.714 -3.562 -2.489 1.00 61.14 H new ATOM 0 HB VAL A 45 10.099 -4.766 -0.204 1.00 22.42 H new ATOM 0 HG11 VAL A 45 10.425 -6.914 -1.361 1.00 44.13 H new ATOM 0 HG12 VAL A 45 9.484 -5.768 -2.345 1.00 44.13 H new ATOM 0 HG13 VAL A 45 11.199 -6.061 -2.717 1.00 44.13 H new ATOM 0 HG21 VAL A 45 12.131 -6.090 0.223 1.00 12.53 H new ATOM 0 HG22 VAL A 45 12.976 -5.201 -1.067 1.00 12.53 H new ATOM 0 HG23 VAL A 45 12.432 -4.344 0.394 1.00 12.53 H new ATOM 716 N ASP A 46 9.496 -3.690 -3.693 1.00 3.04 N ATOM 717 CA ASP A 46 8.273 -3.522 -4.468 1.00 71.53 C ATOM 718 C ASP A 46 7.816 -4.854 -5.057 1.00 45.44 C ATOM 719 O ASP A 46 8.190 -5.212 -6.175 1.00 52.51 O ATOM 720 CB ASP A 46 8.489 -2.503 -5.588 1.00 11.45 C ATOM 721 CG ASP A 46 7.725 -1.215 -5.353 1.00 14.45 C ATOM 722 OD1 ASP A 46 8.237 -0.142 -5.736 1.00 11.13 O ATOM 723 OD2 ASP A 46 6.614 -1.279 -4.786 1.00 74.43 O ATOM 0 H ASP A 46 10.255 -4.150 -4.196 1.00 3.04 H new ATOM 0 HA ASP A 46 7.495 -3.155 -3.798 1.00 71.53 H new ATOM 0 HB2 ASP A 46 9.553 -2.281 -5.673 1.00 11.45 H new ATOM 0 HB3 ASP A 46 8.177 -2.939 -6.537 1.00 11.45 H new ATOM 728 N THR A 47 7.007 -5.585 -4.298 1.00 12.25 N ATOM 729 CA THR A 47 6.501 -6.877 -4.743 1.00 22.24 C ATOM 730 C THR A 47 5.593 -6.723 -5.957 1.00 34.50 C ATOM 731 O THR A 47 5.294 -7.698 -6.648 1.00 51.32 O ATOM 732 CB THR A 47 5.724 -7.593 -3.622 1.00 1.24 C ATOM 733 OG1 THR A 47 4.465 -6.944 -3.407 1.00 65.50 O ATOM 734 CG2 THR A 47 6.524 -7.599 -2.328 1.00 21.24 C ATOM 0 H THR A 47 6.688 -5.304 -3.371 1.00 12.25 H new ATOM 0 HA THR A 47 7.368 -7.479 -5.015 1.00 22.24 H new ATOM 0 HB THR A 47 5.553 -8.624 -3.930 1.00 1.24 H new ATOM 0 HG1 THR A 47 3.976 -7.406 -2.694 1.00 65.50 H new ATOM 0 HG21 THR A 47 5.955 -8.110 -1.551 1.00 21.24 H new ATOM 0 HG22 THR A 47 7.469 -8.118 -2.487 1.00 21.24 H new ATOM 0 HG23 THR A 47 6.722 -6.573 -2.018 1.00 21.24 H new ATOM 742 N TYR A 48 5.157 -5.495 -6.212 1.00 14.01 N ATOM 743 CA TYR A 48 4.280 -5.214 -7.343 1.00 21.32 C ATOM 744 C TYR A 48 4.868 -5.767 -8.638 1.00 35.23 C ATOM 745 O TYR A 48 4.165 -6.386 -9.436 1.00 45.23 O ATOM 746 CB TYR A 48 4.051 -3.708 -7.476 1.00 1.21 C ATOM 747 CG TYR A 48 2.667 -3.347 -7.967 1.00 2.24 C ATOM 748 CD1 TYR A 48 1.542 -3.636 -7.205 1.00 15.31 C ATOM 749 CD2 TYR A 48 2.485 -2.718 -9.192 1.00 1.21 C ATOM 750 CE1 TYR A 48 0.275 -3.308 -7.649 1.00 61.43 C ATOM 751 CE2 TYR A 48 1.223 -2.385 -9.644 1.00 33.44 C ATOM 752 CZ TYR A 48 0.121 -2.683 -8.869 1.00 11.11 C ATOM 753 OH TYR A 48 -1.139 -2.355 -9.316 1.00 5.20 O ATOM 0 H TYR A 48 5.396 -4.678 -5.651 1.00 14.01 H new ATOM 0 HA TYR A 48 3.324 -5.705 -7.160 1.00 21.32 H new ATOM 0 HB2 TYR A 48 4.218 -3.237 -6.508 1.00 1.21 H new ATOM 0 HB3 TYR A 48 4.790 -3.296 -8.163 1.00 1.21 H new ATOM 0 HD1 TYR A 48 1.659 -4.125 -6.249 1.00 15.31 H new ATOM 0 HD2 TYR A 48 3.345 -2.485 -9.802 1.00 1.21 H new ATOM 0 HE1 TYR A 48 -0.589 -3.540 -7.044 1.00 61.43 H new ATOM 0 HE2 TYR A 48 1.100 -1.894 -10.598 1.00 33.44 H new ATOM 0 HH TYR A 48 -1.072 -1.920 -10.192 1.00 5.20 H new ATOM 763 N ASN A 49 6.162 -5.539 -8.837 1.00 74.33 N ATOM 764 CA ASN A 49 6.846 -6.014 -10.035 1.00 35.13 C ATOM 765 C ASN A 49 8.254 -6.496 -9.702 1.00 21.44 C ATOM 766 O ASN A 49 9.121 -6.561 -10.572 1.00 40.30 O ATOM 767 CB ASN A 49 6.910 -4.903 -11.085 1.00 33.31 C ATOM 768 CG ASN A 49 7.970 -3.867 -10.766 1.00 41.03 C ATOM 769 OD1 ASN A 49 8.912 -3.671 -11.534 1.00 4.42 O ATOM 770 ND2 ASN A 49 7.821 -3.198 -9.629 1.00 34.22 N ATOM 0 H ASN A 49 6.758 -5.029 -8.185 1.00 74.33 H new ATOM 0 HA ASN A 49 6.280 -6.854 -10.438 1.00 35.13 H new ATOM 0 HB2 ASN A 49 7.116 -5.341 -12.062 1.00 33.31 H new ATOM 0 HB3 ASN A 49 5.938 -4.415 -11.153 1.00 33.31 H new ATOM 0 HD21 ASN A 49 8.503 -2.488 -9.362 1.00 34.22 H new ATOM 0 HD22 ASN A 49 7.024 -3.394 -9.023 1.00 34.22 H new ATOM 777 N ASN A 50 8.474 -6.835 -8.435 1.00 53.32 N ATOM 778 CA ASN A 50 9.777 -7.311 -7.986 1.00 71.55 C ATOM 779 C ASN A 50 10.864 -6.283 -8.284 1.00 63.52 C ATOM 780 O ASN A 50 11.407 -6.241 -9.388 1.00 22.23 O ATOM 781 CB ASN A 50 10.117 -8.641 -8.663 1.00 4.02 C ATOM 782 CG ASN A 50 8.917 -9.562 -8.764 1.00 22.42 C ATOM 783 OD1 ASN A 50 8.104 -9.644 -7.843 1.00 24.53 O ATOM 784 ND2 ASN A 50 8.801 -10.262 -9.887 1.00 0.52 N ATOM 0 H ASN A 50 7.766 -6.789 -7.702 1.00 53.32 H new ATOM 0 HA ASN A 50 9.730 -7.461 -6.907 1.00 71.55 H new ATOM 0 HB2 ASN A 50 10.508 -8.447 -9.662 1.00 4.02 H new ATOM 0 HB3 ASN A 50 10.908 -9.139 -8.102 1.00 4.02 H new ATOM 0 HD21 ASN A 50 8.014 -10.899 -10.012 1.00 0.52 H new ATOM 0 HD22 ASN A 50 9.499 -10.162 -10.624 1.00 0.52 H new ATOM 791 N ALA A 51 11.177 -5.457 -7.292 1.00 0.23 N ATOM 792 CA ALA A 51 12.201 -4.431 -7.446 1.00 10.01 C ATOM 793 C ALA A 51 12.496 -3.745 -6.116 1.00 74.03 C ATOM 794 O ALA A 51 11.585 -3.277 -5.432 1.00 61.43 O ATOM 795 CB ALA A 51 11.770 -3.407 -8.486 1.00 21.40 C ATOM 0 H ALA A 51 10.736 -5.478 -6.372 1.00 0.23 H new ATOM 0 HA ALA A 51 13.117 -4.915 -7.786 1.00 10.01 H new ATOM 0 HB1 ALA A 51 12.544 -2.647 -8.591 1.00 21.40 H new ATOM 0 HB2 ALA A 51 11.617 -3.904 -9.444 1.00 21.40 H new ATOM 0 HB3 ALA A 51 10.839 -2.936 -8.169 1.00 21.40 H new ATOM 801 N VAL A 52 13.774 -3.689 -5.755 1.00 14.01 N ATOM 802 CA VAL A 52 14.188 -3.060 -4.507 1.00 2.33 C ATOM 803 C VAL A 52 14.973 -1.780 -4.771 1.00 12.42 C ATOM 804 O VAL A 52 15.645 -1.651 -5.794 1.00 60.22 O ATOM 805 CB VAL A 52 15.051 -4.012 -3.658 1.00 3.12 C ATOM 806 CG1 VAL A 52 16.430 -4.180 -4.279 1.00 12.15 C ATOM 807 CG2 VAL A 52 15.160 -3.501 -2.229 1.00 34.00 C ATOM 0 H VAL A 52 14.540 -4.072 -6.309 1.00 14.01 H new ATOM 0 HA VAL A 52 13.278 -2.818 -3.957 1.00 2.33 H new ATOM 0 HB VAL A 52 14.568 -4.989 -3.635 1.00 3.12 H new ATOM 0 HG11 VAL A 52 17.025 -4.856 -3.665 1.00 12.15 H new ATOM 0 HG12 VAL A 52 16.329 -4.594 -5.282 1.00 12.15 H new ATOM 0 HG13 VAL A 52 16.924 -3.210 -4.335 1.00 12.15 H new ATOM 0 HG21 VAL A 52 15.773 -4.186 -1.643 1.00 34.00 H new ATOM 0 HG22 VAL A 52 15.620 -2.513 -2.230 1.00 34.00 H new ATOM 0 HG23 VAL A 52 14.165 -3.438 -1.788 1.00 34.00 H new ATOM 817 N ASP A 53 14.883 -0.835 -3.841 1.00 51.12 N ATOM 818 CA ASP A 53 15.586 0.436 -3.972 1.00 51.12 C ATOM 819 C ASP A 53 16.697 0.552 -2.933 1.00 14.30 C ATOM 820 O ASP A 53 16.655 1.418 -2.058 1.00 72.11 O ATOM 821 CB ASP A 53 14.607 1.602 -3.824 1.00 4.23 C ATOM 822 CG ASP A 53 13.941 1.969 -5.135 1.00 13.01 C ATOM 823 OD1 ASP A 53 14.312 3.009 -5.719 1.00 74.10 O ATOM 824 OD2 ASP A 53 13.049 1.216 -5.577 1.00 74.25 O ATOM 0 H ASP A 53 14.330 -0.925 -2.989 1.00 51.12 H new ATOM 0 HA ASP A 53 16.036 0.474 -4.964 1.00 51.12 H new ATOM 0 HB2 ASP A 53 13.843 1.340 -3.092 1.00 4.23 H new ATOM 0 HB3 ASP A 53 15.137 2.471 -3.434 1.00 4.23 H new ATOM 829 N CYS A 54 17.689 -0.326 -3.034 1.00 51.43 N ATOM 830 CA CYS A 54 18.811 -0.323 -2.103 1.00 35.50 C ATOM 831 C CYS A 54 19.418 1.072 -1.986 1.00 35.33 C ATOM 832 O CYS A 54 19.256 1.907 -2.876 1.00 24.22 O ATOM 833 CB CYS A 54 19.879 -1.320 -2.557 1.00 21.03 C ATOM 834 SG CYS A 54 19.319 -3.053 -2.576 1.00 71.41 S ATOM 0 H CYS A 54 17.739 -1.049 -3.752 1.00 51.43 H new ATOM 0 HA CYS A 54 18.438 -0.620 -1.123 1.00 35.50 H new ATOM 0 HB2 CYS A 54 20.214 -1.047 -3.558 1.00 21.03 H new ATOM 0 HB3 CYS A 54 20.743 -1.236 -1.898 1.00 21.03 H new ATOM 839 N ASP A 55 20.116 1.316 -0.882 1.00 54.13 N ATOM 840 CA ASP A 55 20.748 2.609 -0.648 1.00 42.04 C ATOM 841 C ASP A 55 21.943 2.805 -1.576 1.00 63.01 C ATOM 842 O ASP A 55 22.392 3.931 -1.797 1.00 24.34 O ATOM 843 CB ASP A 55 21.194 2.726 0.810 1.00 43.21 C ATOM 844 CG ASP A 55 22.220 3.824 1.015 1.00 33.23 C ATOM 845 OD1 ASP A 55 21.816 5.001 1.119 1.00 42.45 O ATOM 846 OD2 ASP A 55 23.426 3.505 1.074 1.00 55.22 O ATOM 0 H ASP A 55 20.258 0.636 -0.136 1.00 54.13 H new ATOM 0 HA ASP A 55 20.015 3.388 -0.859 1.00 42.04 H new ATOM 0 HB2 ASP A 55 20.325 2.923 1.438 1.00 43.21 H new ATOM 0 HB3 ASP A 55 21.614 1.775 1.136 1.00 43.21 H new TER 851 ASP A 55