USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=16 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= -2.05 K(o=-2.4,f=1.8) USER MOD Set 1.2: A 24 THR OG1 : rot -160:sc= -0.34 USER MOD Set 2.1: A 2 LYS NZ :NH3+ -132:sc= -1.52! (180deg=-5.18!) USER MOD Set 2.2: A 4 THR OG1 : rot -160:sc= 0.649 USER MOD Single : A 1 ALA N :NH3+ 138:sc= 0.0201 (180deg=0) USER MOD Single : A 3 TYR OH : 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= -0.579 K(o=-0.58,f=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= -0.502 (180deg=-0.586) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -0.0116 (180deg=-0.268) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc=-0.00797 (180deg=-0.158) USER MOD Single : A 33 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -152:sc= 0.0642 (180deg=0) 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= -0.74 K(o=-0.74,f=-3.2!) USER MOD Single : A 41 ASN : amide:sc= 0.292 X(o=0.29,f=0.56) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.681 USER MOD Single : A 47 THR OG1 : rot -51:sc= 0.846 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.0012) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.512 0.737 -5.118 1.00 0.33 N ATOM 2 CA ALA A 1 2.744 0.324 -3.739 1.00 51.41 C ATOM 3 C ALA A 1 4.125 -0.302 -3.579 1.00 0.25 C ATOM 4 O ALA A 1 4.597 -1.025 -4.457 1.00 14.44 O ATOM 5 CB ALA A 1 1.665 -0.651 -3.292 1.00 11.54 C ATOM 0 H1 ALA A 1 1.542 0.486 -5.397 1.00 0.33 H new ATOM 0 H2 ALA A 1 2.640 1.766 -5.198 1.00 0.33 H new ATOM 0 H3 ALA A 1 3.188 0.254 -5.743 1.00 0.33 H new ATOM 0 HA ALA A 1 2.701 1.211 -3.107 1.00 51.41 H new ATOM 0 HB1 ALA A 1 1.850 -0.951 -2.261 1.00 11.54 H new ATOM 0 HB2 ALA A 1 0.689 -0.170 -3.360 1.00 11.54 H new ATOM 0 HB3 ALA A 1 1.681 -1.531 -3.935 1.00 11.54 H new ATOM 11 N LYS A 2 4.770 -0.020 -2.452 1.00 1.53 N ATOM 12 CA LYS A 2 6.098 -0.555 -2.175 1.00 34.23 C ATOM 13 C LYS A 2 6.333 -0.676 -0.672 1.00 41.45 C ATOM 14 O LYS A 2 5.716 0.035 0.121 1.00 2.23 O ATOM 15 CB LYS A 2 7.171 0.338 -2.800 1.00 42.31 C ATOM 16 CG LYS A 2 7.032 1.805 -2.431 1.00 43.12 C ATOM 17 CD LYS A 2 8.159 2.260 -1.519 1.00 30.34 C ATOM 18 CE LYS A 2 7.820 2.023 -0.055 1.00 25.22 C ATOM 19 NZ LYS A 2 8.650 2.866 0.850 1.00 54.51 N ATOM 0 H LYS A 2 4.394 0.577 -1.715 1.00 1.53 H new ATOM 0 HA LYS A 2 6.161 -1.550 -2.616 1.00 34.23 H new ATOM 0 HB2 LYS A 2 8.153 -0.015 -2.487 1.00 42.31 H new ATOM 0 HB3 LYS A 2 7.128 0.239 -3.885 1.00 42.31 H new ATOM 0 HG2 LYS A 2 7.029 2.410 -3.337 1.00 43.12 H new ATOM 0 HG3 LYS A 2 6.074 1.968 -1.936 1.00 43.12 H new ATOM 0 HD2 LYS A 2 9.073 1.724 -1.773 1.00 30.34 H new ATOM 0 HD3 LYS A 2 8.355 3.320 -1.681 1.00 30.34 H new ATOM 0 HE2 LYS A 2 6.765 2.239 0.113 1.00 25.22 H new ATOM 0 HE3 LYS A 2 7.972 0.971 0.187 1.00 25.22 H new ATOM 0 HZ1 LYS A 2 9.041 2.276 1.612 1.00 54.51 H new ATOM 0 HZ2 LYS A 2 9.428 3.294 0.309 1.00 54.51 H new ATOM 0 HZ3 LYS A 2 8.061 3.617 1.262 1.00 54.51 H new ATOM 33 N TYR A 3 7.230 -1.578 -0.289 1.00 54.24 N ATOM 34 CA TYR A 3 7.546 -1.791 1.118 1.00 72.42 C ATOM 35 C TYR A 3 8.857 -1.107 1.492 1.00 52.43 C ATOM 36 O TYR A 3 9.731 -0.909 0.648 1.00 45.24 O ATOM 37 CB TYR A 3 7.635 -3.288 1.421 1.00 72.13 C ATOM 38 CG TYR A 3 6.340 -4.032 1.185 1.00 54.33 C ATOM 39 CD1 TYR A 3 5.237 -3.822 2.003 1.00 34.35 C ATOM 40 CD2 TYR A 3 6.219 -4.944 0.144 1.00 31.31 C ATOM 41 CE1 TYR A 3 4.051 -4.500 1.792 1.00 3.23 C ATOM 42 CE2 TYR A 3 5.037 -5.625 -0.075 1.00 62.15 C ATOM 43 CZ TYR A 3 3.956 -5.400 0.751 1.00 4.23 C ATOM 44 OH TYR A 3 2.778 -6.077 0.537 1.00 70.13 O ATOM 0 H TYR A 3 7.751 -2.173 -0.933 1.00 54.24 H new ATOM 0 HA TYR A 3 6.746 -1.353 1.714 1.00 72.42 H new ATOM 0 HB2 TYR A 3 8.416 -3.730 0.802 1.00 72.13 H new ATOM 0 HB3 TYR A 3 7.937 -3.423 2.460 1.00 72.13 H new ATOM 0 HD1 TYR A 3 5.307 -3.117 2.818 1.00 34.35 H new ATOM 0 HD2 TYR A 3 7.063 -5.124 -0.505 1.00 31.31 H new ATOM 0 HE1 TYR A 3 3.204 -4.326 2.439 1.00 3.23 H new ATOM 0 HE2 TYR A 3 4.960 -6.330 -0.889 1.00 62.15 H new ATOM 0 HH TYR A 3 2.878 -6.671 -0.236 1.00 70.13 H new ATOM 54 N THR A 4 8.987 -0.747 2.765 1.00 52.41 N ATOM 55 CA THR A 4 10.189 -0.084 3.253 1.00 44.53 C ATOM 56 C THR A 4 10.908 -0.941 4.288 1.00 1.44 C ATOM 57 O THR A 4 10.282 -1.502 5.186 1.00 71.50 O ATOM 58 CB THR A 4 9.862 1.287 3.875 1.00 23.00 C ATOM 59 OG1 THR A 4 8.587 1.744 3.410 1.00 5.40 O ATOM 60 CG2 THR A 4 10.932 2.310 3.525 1.00 64.24 C ATOM 0 H THR A 4 8.274 -0.904 3.477 1.00 52.41 H new ATOM 0 HA THR A 4 10.840 0.063 2.391 1.00 44.53 H new ATOM 0 HB THR A 4 9.833 1.172 4.959 1.00 23.00 H new ATOM 0 HG1 THR A 4 8.521 2.713 3.537 1.00 5.40 H new ATOM 0 HG21 THR A 4 10.679 3.270 3.975 1.00 64.24 H new ATOM 0 HG22 THR A 4 11.896 1.973 3.906 1.00 64.24 H new ATOM 0 HG23 THR A 4 10.989 2.421 2.442 1.00 64.24 H new ATOM 68 N GLY A 5 12.228 -1.036 4.158 1.00 30.21 N ATOM 69 CA GLY A 5 13.010 -1.827 5.091 1.00 41.44 C ATOM 70 C GLY A 5 14.498 -1.566 4.966 1.00 41.14 C ATOM 71 O GLY A 5 14.914 -0.558 4.394 1.00 0.10 O ATOM 0 H GLY A 5 12.770 -0.580 3.424 1.00 30.21 H new ATOM 0 HA2 GLY A 5 12.689 -1.605 6.109 1.00 41.44 H new ATOM 0 HA3 GLY A 5 12.814 -2.885 4.919 1.00 41.44 H new ATOM 75 N LYS A 6 15.304 -2.476 5.503 1.00 13.30 N ATOM 76 CA LYS A 6 16.755 -2.340 5.450 1.00 35.51 C ATOM 77 C LYS A 6 17.415 -3.681 5.143 1.00 1.31 C ATOM 78 O LYS A 6 16.859 -4.740 5.434 1.00 15.12 O ATOM 79 CB LYS A 6 17.285 -1.790 6.776 1.00 33.41 C ATOM 80 CG LYS A 6 16.416 -0.696 7.371 1.00 1.33 C ATOM 81 CD LYS A 6 15.363 -1.266 8.307 1.00 63.02 C ATOM 82 CE LYS A 6 15.581 -0.804 9.739 1.00 4.34 C ATOM 83 NZ LYS A 6 14.444 -1.182 10.623 1.00 1.54 N ATOM 0 H LYS A 6 14.977 -3.316 5.980 1.00 13.30 H new ATOM 0 HA LYS A 6 17.001 -1.642 4.650 1.00 35.51 H new ATOM 0 HB2 LYS A 6 17.367 -2.608 7.492 1.00 33.41 H new ATOM 0 HB3 LYS A 6 18.291 -1.400 6.622 1.00 33.41 H new ATOM 0 HG2 LYS A 6 17.042 0.012 7.914 1.00 1.33 H new ATOM 0 HG3 LYS A 6 15.929 -0.141 6.569 1.00 1.33 H new ATOM 0 HD2 LYS A 6 14.372 -0.959 7.972 1.00 63.02 H new ATOM 0 HD3 LYS A 6 15.390 -2.355 8.267 1.00 63.02 H new ATOM 0 HE2 LYS A 6 16.502 -1.241 10.125 1.00 4.34 H new ATOM 0 HE3 LYS A 6 15.710 0.278 9.756 1.00 4.34 H new ATOM 0 HZ1 LYS A 6 14.631 -0.849 11.590 1.00 1.54 H new ATOM 0 HZ2 LYS A 6 13.569 -0.745 10.269 1.00 1.54 H new ATOM 0 HZ3 LYS A 6 14.337 -2.216 10.627 1.00 1.54 H new ATOM 97 N CYS A 7 18.605 -3.627 4.555 1.00 64.50 N ATOM 98 CA CYS A 7 19.343 -4.837 4.209 1.00 11.34 C ATOM 99 C CYS A 7 20.539 -5.029 5.138 1.00 54.41 C ATOM 100 O CYS A 7 20.667 -4.345 6.154 1.00 52.41 O ATOM 101 CB CYS A 7 19.817 -4.772 2.756 1.00 31.21 C ATOM 102 SG CYS A 7 18.904 -3.576 1.729 1.00 64.33 S ATOM 0 H CYS A 7 19.079 -2.759 4.308 1.00 64.50 H new ATOM 0 HA CYS A 7 18.673 -5.688 4.328 1.00 11.34 H new ATOM 0 HB2 CYS A 7 20.876 -4.513 2.742 1.00 31.21 H new ATOM 0 HB3 CYS A 7 19.725 -5.762 2.310 1.00 31.21 H new ATOM 107 N THR A 8 21.413 -5.965 4.782 1.00 42.52 N ATOM 108 CA THR A 8 22.598 -6.248 5.582 1.00 13.22 C ATOM 109 C THR A 8 23.816 -6.483 4.697 1.00 61.22 C ATOM 110 O THR A 8 23.815 -7.371 3.844 1.00 54.14 O ATOM 111 CB THR A 8 22.386 -7.479 6.483 1.00 71.54 C ATOM 112 OG1 THR A 8 20.995 -7.819 6.530 1.00 45.51 O ATOM 113 CG2 THR A 8 22.897 -7.215 7.891 1.00 54.51 C ATOM 0 H THR A 8 21.322 -6.540 3.945 1.00 42.52 H new ATOM 0 HA THR A 8 22.772 -5.374 6.209 1.00 13.22 H new ATOM 0 HB THR A 8 22.949 -8.311 6.060 1.00 71.54 H new ATOM 0 HG1 THR A 8 20.869 -8.604 7.104 1.00 45.51 H new ATOM 0 HG21 THR A 8 22.736 -8.099 8.508 1.00 54.51 H new ATOM 0 HG22 THR A 8 23.962 -6.987 7.855 1.00 54.51 H new ATOM 0 HG23 THR A 8 22.359 -6.370 8.321 1.00 54.51 H new ATOM 121 N LYS A 9 24.856 -5.683 4.905 1.00 23.20 N ATOM 122 CA LYS A 9 26.084 -5.805 4.127 1.00 34.13 C ATOM 123 C LYS A 9 26.696 -7.192 4.292 1.00 64.34 C ATOM 124 O LYS A 9 27.520 -7.617 3.482 1.00 63.13 O ATOM 125 CB LYS A 9 27.092 -4.737 4.556 1.00 13.50 C ATOM 126 CG LYS A 9 27.719 -5.002 5.914 1.00 51.13 C ATOM 127 CD LYS A 9 29.083 -5.657 5.779 1.00 4.22 C ATOM 128 CE LYS A 9 29.880 -5.556 7.071 1.00 11.41 C ATOM 129 NZ LYS A 9 29.437 -6.561 8.076 1.00 13.02 N ATOM 0 H LYS A 9 24.873 -4.943 5.606 1.00 23.20 H new ATOM 0 HA LYS A 9 25.835 -5.659 3.076 1.00 34.13 H new ATOM 0 HB2 LYS A 9 27.881 -4.673 3.807 1.00 13.50 H new ATOM 0 HB3 LYS A 9 26.594 -3.768 4.578 1.00 13.50 H new ATOM 0 HG2 LYS A 9 27.817 -4.064 6.460 1.00 51.13 H new ATOM 0 HG3 LYS A 9 27.062 -5.645 6.500 1.00 51.13 H new ATOM 0 HD2 LYS A 9 28.959 -6.705 5.508 1.00 4.22 H new ATOM 0 HD3 LYS A 9 29.638 -5.182 4.970 1.00 4.22 H new ATOM 0 HE2 LYS A 9 30.939 -5.699 6.857 1.00 11.41 H new ATOM 0 HE3 LYS A 9 29.772 -4.554 7.487 1.00 11.41 H new ATOM 0 HZ1 LYS A 9 30.004 -6.460 8.942 1.00 13.02 H new ATOM 0 HZ2 LYS A 9 28.433 -6.409 8.300 1.00 13.02 H new ATOM 0 HZ3 LYS A 9 29.564 -7.518 7.689 1.00 13.02 H new ATOM 143 N SER A 10 26.288 -7.894 5.344 1.00 53.01 N ATOM 144 CA SER A 10 26.798 -9.233 5.615 1.00 5.52 C ATOM 145 C SER A 10 26.730 -10.104 4.365 1.00 72.02 C ATOM 146 O SER A 10 27.747 -10.376 3.727 1.00 72.45 O ATOM 147 CB SER A 10 26.005 -9.884 6.749 1.00 34.21 C ATOM 148 OG SER A 10 26.535 -9.527 8.014 1.00 52.03 O ATOM 0 H SER A 10 25.605 -7.558 6.023 1.00 53.01 H new ATOM 0 HA SER A 10 27.842 -9.143 5.917 1.00 5.52 H new ATOM 0 HB2 SER A 10 24.961 -9.577 6.689 1.00 34.21 H new ATOM 0 HB3 SER A 10 26.026 -10.968 6.636 1.00 34.21 H new ATOM 0 HG SER A 10 26.009 -9.955 8.722 1.00 52.03 H new ATOM 154 N LYS A 11 25.523 -10.539 4.020 1.00 35.13 N ATOM 155 CA LYS A 11 25.318 -11.379 2.846 1.00 13.11 C ATOM 156 C LYS A 11 24.310 -10.745 1.893 1.00 74.00 C ATOM 157 O LYS A 11 23.856 -11.380 0.942 1.00 21.41 O ATOM 158 CB LYS A 11 24.834 -12.769 3.266 1.00 44.01 C ATOM 159 CG LYS A 11 25.782 -13.888 2.868 1.00 15.15 C ATOM 160 CD LYS A 11 25.398 -14.493 1.528 1.00 23.35 C ATOM 161 CE LYS A 11 25.898 -15.924 1.400 1.00 61.01 C ATOM 162 NZ LYS A 11 25.946 -16.369 -0.020 1.00 60.33 N ATOM 0 H LYS A 11 24.671 -10.323 4.537 1.00 35.13 H new ATOM 0 HA LYS A 11 26.272 -11.474 2.327 1.00 13.11 H new ATOM 0 HB2 LYS A 11 24.698 -12.786 4.347 1.00 44.01 H new ATOM 0 HB3 LYS A 11 23.857 -12.955 2.819 1.00 44.01 H new ATOM 0 HG2 LYS A 11 26.800 -13.502 2.816 1.00 15.15 H new ATOM 0 HG3 LYS A 11 25.774 -14.663 3.634 1.00 15.15 H new ATOM 0 HD2 LYS A 11 24.314 -14.474 1.416 1.00 23.35 H new ATOM 0 HD3 LYS A 11 25.813 -13.888 0.722 1.00 23.35 H new ATOM 0 HE2 LYS A 11 26.893 -16.002 1.839 1.00 61.01 H new ATOM 0 HE3 LYS A 11 25.246 -16.589 1.967 1.00 61.01 H new ATOM 0 HZ1 LYS A 11 26.292 -17.349 -0.065 1.00 60.33 H new ATOM 0 HZ2 LYS A 11 24.992 -16.319 -0.432 1.00 60.33 H new ATOM 0 HZ3 LYS A 11 26.588 -15.751 -0.556 1.00 60.33 H new ATOM 176 N ASN A 12 23.964 -9.488 2.154 1.00 65.31 N ATOM 177 CA ASN A 12 23.010 -8.768 1.318 1.00 25.41 C ATOM 178 C ASN A 12 21.626 -9.405 1.401 1.00 42.50 C ATOM 179 O ASN A 12 21.441 -10.561 1.024 1.00 31.24 O ATOM 180 CB ASN A 12 23.488 -8.747 -0.135 1.00 63.42 C ATOM 181 CG ASN A 12 22.373 -9.056 -1.115 1.00 53.21 C ATOM 182 OD1 ASN A 12 22.121 -10.216 -1.441 1.00 35.04 O ATOM 183 ND2 ASN A 12 21.699 -8.015 -1.591 1.00 35.24 N ATOM 0 H ASN A 12 24.330 -8.947 2.938 1.00 65.31 H new ATOM 0 HA ASN A 12 22.942 -7.744 1.686 1.00 25.41 H new ATOM 0 HB2 ASN A 12 23.907 -7.767 -0.363 1.00 63.42 H new ATOM 0 HB3 ASN A 12 24.291 -9.474 -0.261 1.00 63.42 H new ATOM 0 HD21 ASN A 12 20.938 -8.160 -2.255 1.00 35.24 H new ATOM 0 HD22 ASN A 12 21.942 -7.070 -1.293 1.00 35.24 H new ATOM 190 N GLU A 13 20.658 -8.640 1.896 1.00 40.31 N ATOM 191 CA GLU A 13 19.291 -9.129 2.028 1.00 31.30 C ATOM 192 C GLU A 13 18.374 -8.041 2.578 1.00 11.34 C ATOM 193 O GLU A 13 18.264 -7.860 3.792 1.00 64.05 O ATOM 194 CB GLU A 13 19.251 -10.356 2.942 1.00 12.43 C ATOM 195 CG GLU A 13 18.865 -11.638 2.224 1.00 3.12 C ATOM 196 CD GLU A 13 18.909 -12.851 3.133 1.00 74.11 C ATOM 197 OE1 GLU A 13 19.633 -12.805 4.149 1.00 45.11 O ATOM 198 OE2 GLU A 13 18.218 -13.846 2.828 1.00 25.13 O ATOM 0 H GLU A 13 20.795 -7.680 2.212 1.00 40.31 H new ATOM 0 HA GLU A 13 18.936 -9.411 1.037 1.00 31.30 H new ATOM 0 HB2 GLU A 13 20.230 -10.488 3.402 1.00 12.43 H new ATOM 0 HB3 GLU A 13 18.542 -10.174 3.749 1.00 12.43 H new ATOM 0 HG2 GLU A 13 17.861 -11.532 1.814 1.00 3.12 H new ATOM 0 HG3 GLU A 13 19.538 -11.795 1.382 1.00 3.12 H new ATOM 205 N CYS A 14 17.717 -7.317 1.678 1.00 62.43 N ATOM 206 CA CYS A 14 16.810 -6.246 2.071 1.00 44.34 C ATOM 207 C CYS A 14 15.550 -6.810 2.721 1.00 64.34 C ATOM 208 O CYS A 14 14.702 -7.398 2.050 1.00 55.55 O ATOM 209 CB CYS A 14 16.434 -5.397 0.855 1.00 53.40 C ATOM 210 SG CYS A 14 17.434 -3.886 0.664 1.00 30.13 S ATOM 0 H CYS A 14 17.796 -7.453 0.670 1.00 62.43 H new ATOM 0 HA CYS A 14 17.323 -5.619 2.800 1.00 44.34 H new ATOM 0 HB2 CYS A 14 16.537 -6.004 -0.044 1.00 53.40 H new ATOM 0 HB3 CYS A 14 15.383 -5.117 0.932 1.00 53.40 H new ATOM 215 N LYS A 15 15.435 -6.628 4.032 1.00 64.03 N ATOM 216 CA LYS A 15 14.280 -7.117 4.774 1.00 14.22 C ATOM 217 C LYS A 15 13.055 -6.246 4.510 1.00 5.34 C ATOM 218 O LYS A 15 13.175 -5.041 4.287 1.00 5.22 O ATOM 219 CB LYS A 15 14.585 -7.145 6.273 1.00 2.14 C ATOM 220 CG LYS A 15 13.346 -7.259 7.145 1.00 64.13 C ATOM 221 CD LYS A 15 13.624 -8.058 8.407 1.00 1.00 C ATOM 222 CE LYS A 15 14.718 -7.414 9.245 1.00 62.03 C ATOM 223 NZ LYS A 15 14.328 -7.306 10.678 1.00 44.21 N ATOM 0 H LYS A 15 16.129 -6.145 4.603 1.00 64.03 H new ATOM 0 HA LYS A 15 14.064 -8.130 4.434 1.00 14.22 H new ATOM 0 HB2 LYS A 15 15.246 -7.985 6.485 1.00 2.14 H new ATOM 0 HB3 LYS A 15 15.126 -6.238 6.542 1.00 2.14 H new ATOM 0 HG2 LYS A 15 12.996 -6.262 7.414 1.00 64.13 H new ATOM 0 HG3 LYS A 15 12.545 -7.736 6.580 1.00 64.13 H new ATOM 0 HD2 LYS A 15 12.711 -8.137 8.997 1.00 1.00 H new ATOM 0 HD3 LYS A 15 13.919 -9.072 8.139 1.00 1.00 H new ATOM 0 HE2 LYS A 15 15.633 -8.001 9.161 1.00 62.03 H new ATOM 0 HE3 LYS A 15 14.939 -6.421 8.853 1.00 62.03 H new ATOM 0 HZ1 LYS A 15 15.100 -6.862 11.215 1.00 44.21 H new ATOM 0 HZ2 LYS A 15 13.469 -6.725 10.761 1.00 44.21 H new ATOM 0 HZ3 LYS A 15 14.142 -8.255 11.060 1.00 44.21 H new ATOM 237 N TYR A 16 11.879 -6.862 4.539 1.00 63.20 N ATOM 238 CA TYR A 16 10.633 -6.143 4.302 1.00 43.10 C ATOM 239 C TYR A 16 9.435 -6.957 4.779 1.00 32.41 C ATOM 240 O TYR A 16 9.589 -7.975 5.455 1.00 43.12 O ATOM 241 CB TYR A 16 10.483 -5.817 2.815 1.00 1.21 C ATOM 242 CG TYR A 16 10.028 -6.992 1.980 1.00 21.53 C ATOM 243 CD1 TYR A 16 8.742 -7.041 1.457 1.00 71.15 C ATOM 244 CD2 TYR A 16 10.883 -8.055 1.716 1.00 4.12 C ATOM 245 CE1 TYR A 16 8.321 -8.113 0.694 1.00 64.52 C ATOM 246 CE2 TYR A 16 10.472 -9.131 0.953 1.00 10.53 C ATOM 247 CZ TYR A 16 9.190 -9.155 0.445 1.00 61.44 C ATOM 248 OH TYR A 16 8.776 -10.226 -0.315 1.00 0.24 O ATOM 0 H TYR A 16 11.762 -7.858 4.724 1.00 63.20 H new ATOM 0 HA TYR A 16 10.666 -5.213 4.870 1.00 43.10 H new ATOM 0 HB2 TYR A 16 9.768 -5.002 2.701 1.00 1.21 H new ATOM 0 HB3 TYR A 16 11.438 -5.458 2.432 1.00 1.21 H new ATOM 0 HD1 TYR A 16 8.059 -6.227 1.650 1.00 71.15 H new ATOM 0 HD2 TYR A 16 11.887 -8.040 2.114 1.00 4.12 H new ATOM 0 HE1 TYR A 16 7.318 -8.135 0.295 1.00 64.52 H new ATOM 0 HE2 TYR A 16 11.150 -9.948 0.756 1.00 10.53 H new ATOM 0 HH TYR A 16 9.508 -10.872 -0.396 1.00 0.24 H new ATOM 258 N LYS A 17 8.239 -6.502 4.422 1.00 73.21 N ATOM 259 CA LYS A 17 7.012 -7.187 4.810 1.00 34.32 C ATOM 260 C LYS A 17 6.209 -7.603 3.582 1.00 75.21 C ATOM 261 O LYS A 17 6.072 -6.837 2.630 1.00 51.54 O ATOM 262 CB LYS A 17 6.161 -6.285 5.707 1.00 2.11 C ATOM 263 CG LYS A 17 5.913 -4.905 5.122 1.00 62.42 C ATOM 264 CD LYS A 17 5.386 -3.941 6.171 1.00 73.11 C ATOM 265 CE LYS A 17 3.889 -4.112 6.383 1.00 23.42 C ATOM 266 NZ LYS A 17 3.489 -3.807 7.785 1.00 44.33 N ATOM 0 H LYS A 17 8.093 -5.661 3.864 1.00 73.21 H new ATOM 0 HA LYS A 17 7.287 -8.085 5.364 1.00 34.32 H new ATOM 0 HB2 LYS A 17 5.202 -6.770 5.891 1.00 2.11 H new ATOM 0 HB3 LYS A 17 6.654 -6.178 6.673 1.00 2.11 H new ATOM 0 HG2 LYS A 17 6.840 -4.515 4.701 1.00 62.42 H new ATOM 0 HG3 LYS A 17 5.198 -4.979 4.303 1.00 62.42 H new ATOM 0 HD2 LYS A 17 5.909 -4.105 7.113 1.00 73.11 H new ATOM 0 HD3 LYS A 17 5.596 -2.917 5.864 1.00 73.11 H new ATOM 0 HE2 LYS A 17 3.348 -3.457 5.700 1.00 23.42 H new ATOM 0 HE3 LYS A 17 3.602 -5.134 6.138 1.00 23.42 H new ATOM 0 HZ1 LYS A 17 2.462 -3.935 7.889 1.00 44.33 H new ATOM 0 HZ2 LYS A 17 3.986 -4.449 8.435 1.00 44.33 H new ATOM 0 HZ3 LYS A 17 3.740 -2.823 8.011 1.00 44.33 H new ATOM 280 N ASN A 18 5.678 -8.822 3.612 1.00 42.52 N ATOM 281 CA ASN A 18 4.888 -9.338 2.501 1.00 74.54 C ATOM 282 C ASN A 18 3.554 -9.891 2.993 1.00 74.31 C ATOM 283 O ASN A 18 2.513 -9.677 2.371 1.00 43.45 O ATOM 284 CB ASN A 18 5.663 -10.430 1.760 1.00 32.23 C ATOM 285 CG ASN A 18 5.901 -11.655 2.622 1.00 63.32 C ATOM 286 OD1 ASN A 18 5.327 -12.718 2.382 1.00 0.44 O ATOM 287 ND2 ASN A 18 6.752 -11.512 3.631 1.00 0.14 N ATOM 0 H ASN A 18 5.781 -9.470 4.393 1.00 42.52 H new ATOM 0 HA ASN A 18 4.689 -8.514 1.816 1.00 74.54 H new ATOM 0 HB2 ASN A 18 5.112 -10.720 0.865 1.00 32.23 H new ATOM 0 HB3 ASN A 18 6.621 -10.030 1.428 1.00 32.23 H new ATOM 0 HD21 ASN A 18 6.953 -12.302 4.245 1.00 0.14 H new ATOM 0 HD22 ASN A 18 7.205 -10.612 3.793 1.00 0.14 H new ATOM 294 N ASP A 19 3.592 -10.603 4.114 1.00 61.01 N ATOM 295 CA ASP A 19 2.386 -11.186 4.692 1.00 44.55 C ATOM 296 C ASP A 19 1.838 -10.303 5.809 1.00 60.23 C ATOM 297 O ASP A 19 1.262 -10.798 6.778 1.00 45.45 O ATOM 298 CB ASP A 19 2.679 -12.587 5.229 1.00 75.42 C ATOM 299 CG ASP A 19 1.675 -13.614 4.743 1.00 33.41 C ATOM 300 OD1 ASP A 19 0.725 -13.918 5.495 1.00 15.30 O ATOM 301 OD2 ASP A 19 1.839 -14.114 3.611 1.00 74.23 O ATOM 0 H ASP A 19 4.445 -10.791 4.641 1.00 61.01 H new ATOM 0 HA ASP A 19 1.633 -11.257 3.907 1.00 44.55 H new ATOM 0 HB2 ASP A 19 3.681 -12.889 4.922 1.00 75.42 H new ATOM 0 HB3 ASP A 19 2.673 -12.564 6.319 1.00 75.42 H new ATOM 306 N ALA A 20 2.022 -8.995 5.666 1.00 12.35 N ATOM 307 CA ALA A 20 1.545 -8.044 6.663 1.00 51.42 C ATOM 308 C ALA A 20 2.405 -8.089 7.921 1.00 44.41 C ATOM 309 O ALA A 20 1.889 -8.140 9.036 1.00 21.33 O ATOM 310 CB ALA A 20 0.089 -8.324 7.006 1.00 25.31 C ATOM 0 H ALA A 20 2.498 -8.570 4.870 1.00 12.35 H new ATOM 0 HA ALA A 20 1.621 -7.043 6.239 1.00 51.42 H new ATOM 0 HB1 ALA A 20 -0.254 -7.606 7.751 1.00 25.31 H new ATOM 0 HB2 ALA A 20 -0.521 -8.233 6.107 1.00 25.31 H new ATOM 0 HB3 ALA A 20 -0.003 -9.334 7.405 1.00 25.31 H new ATOM 316 N GLY A 21 3.722 -8.069 7.733 1.00 33.22 N ATOM 317 CA GLY A 21 4.633 -8.109 8.862 1.00 34.33 C ATOM 318 C GLY A 21 5.664 -9.213 8.736 1.00 42.40 C ATOM 319 O GLY A 21 6.740 -9.138 9.330 1.00 21.41 O ATOM 0 H GLY A 21 4.173 -8.026 6.819 1.00 33.22 H new ATOM 0 HA2 GLY A 21 5.142 -7.149 8.948 1.00 34.33 H new ATOM 0 HA3 GLY A 21 4.063 -8.251 9.780 1.00 34.33 H new ATOM 323 N LYS A 22 5.336 -10.241 7.961 1.00 5.01 N ATOM 324 CA LYS A 22 6.242 -11.366 7.758 1.00 12.22 C ATOM 325 C LYS A 22 7.623 -10.882 7.328 1.00 51.01 C ATOM 326 O LYS A 22 7.828 -10.509 6.173 1.00 64.33 O ATOM 327 CB LYS A 22 5.674 -12.321 6.706 1.00 13.10 C ATOM 328 CG LYS A 22 5.001 -13.547 7.298 1.00 72.21 C ATOM 329 CD LYS A 22 4.943 -14.689 6.297 1.00 32.11 C ATOM 330 CE LYS A 22 3.630 -15.451 6.396 1.00 23.24 C ATOM 331 NZ LYS A 22 3.283 -16.127 5.116 1.00 51.03 N ATOM 0 H LYS A 22 4.449 -10.319 7.463 1.00 5.01 H new ATOM 0 HA LYS A 22 6.341 -11.896 8.705 1.00 12.22 H new ATOM 0 HB2 LYS A 22 4.953 -11.783 6.090 1.00 13.10 H new ATOM 0 HB3 LYS A 22 6.480 -12.642 6.046 1.00 13.10 H new ATOM 0 HG2 LYS A 22 5.544 -13.868 8.187 1.00 72.21 H new ATOM 0 HG3 LYS A 22 3.991 -13.290 7.617 1.00 72.21 H new ATOM 0 HD2 LYS A 22 5.061 -14.296 5.287 1.00 32.11 H new ATOM 0 HD3 LYS A 22 5.775 -15.371 6.473 1.00 32.11 H new ATOM 0 HE2 LYS A 22 3.700 -16.193 7.191 1.00 23.24 H new ATOM 0 HE3 LYS A 22 2.831 -14.763 6.672 1.00 23.24 H new ATOM 0 HZ1 LYS A 22 2.299 -16.461 5.155 1.00 51.03 H new ATOM 0 HZ2 LYS A 22 3.390 -15.456 4.329 1.00 51.03 H new ATOM 0 HZ3 LYS A 22 3.918 -16.937 4.968 1.00 51.03 H new ATOM 345 N ASP A 23 8.566 -10.892 8.263 1.00 10.34 N ATOM 346 CA ASP A 23 9.929 -10.456 7.980 1.00 34.20 C ATOM 347 C ASP A 23 10.577 -11.349 6.927 1.00 74.53 C ATOM 348 O ASP A 23 11.046 -12.447 7.230 1.00 13.14 O ATOM 349 CB ASP A 23 10.766 -10.465 9.260 1.00 62.43 C ATOM 350 CG ASP A 23 10.004 -9.927 10.454 1.00 2.54 C ATOM 351 OD1 ASP A 23 9.707 -10.717 11.375 1.00 72.04 O ATOM 352 OD2 ASP A 23 9.706 -8.714 10.470 1.00 72.24 O ATOM 0 H ASP A 23 8.412 -11.197 9.224 1.00 10.34 H new ATOM 0 HA ASP A 23 9.886 -9.439 7.591 1.00 34.20 H new ATOM 0 HB2 ASP A 23 11.092 -11.484 9.470 1.00 62.43 H new ATOM 0 HB3 ASP A 23 11.665 -9.868 9.107 1.00 62.43 H new ATOM 357 N THR A 24 10.598 -10.873 5.686 1.00 45.31 N ATOM 358 CA THR A 24 11.186 -11.628 4.587 1.00 24.20 C ATOM 359 C THR A 24 12.308 -10.842 3.917 1.00 31.44 C ATOM 360 O THR A 24 12.215 -9.626 3.754 1.00 50.42 O ATOM 361 CB THR A 24 10.129 -11.995 3.529 1.00 61.14 C ATOM 362 OG1 THR A 24 9.115 -12.819 4.114 1.00 13.43 O ATOM 363 CG2 THR A 24 10.768 -12.725 2.356 1.00 15.23 C ATOM 0 H THR A 24 10.214 -9.967 5.417 1.00 45.31 H new ATOM 0 HA THR A 24 11.594 -12.544 5.016 1.00 24.20 H new ATOM 0 HB THR A 24 9.680 -11.072 3.162 1.00 61.14 H new ATOM 0 HG1 THR A 24 8.638 -13.302 3.407 1.00 13.43 H new ATOM 0 HG21 THR A 24 10.002 -12.974 1.622 1.00 15.23 H new ATOM 0 HG22 THR A 24 11.519 -12.084 1.894 1.00 15.23 H new ATOM 0 HG23 THR A 24 11.241 -13.640 2.711 1.00 15.23 H new ATOM 371 N PHE A 25 13.368 -11.545 3.531 1.00 35.10 N ATOM 372 CA PHE A 25 14.508 -10.912 2.879 1.00 60.32 C ATOM 373 C PHE A 25 14.424 -11.069 1.363 1.00 33.13 C ATOM 374 O PHE A 25 13.968 -12.096 0.859 1.00 32.15 O ATOM 375 CB PHE A 25 15.816 -11.516 3.393 1.00 24.23 C ATOM 376 CG PHE A 25 15.788 -11.848 4.858 1.00 63.22 C ATOM 377 CD1 PHE A 25 15.553 -10.861 5.801 1.00 31.11 C ATOM 378 CD2 PHE A 25 15.998 -13.147 5.291 1.00 32.52 C ATOM 379 CE1 PHE A 25 15.526 -11.163 7.150 1.00 60.23 C ATOM 380 CE2 PHE A 25 15.972 -13.456 6.638 1.00 14.32 C ATOM 381 CZ PHE A 25 15.737 -12.462 7.569 1.00 73.24 C ATOM 0 H PHE A 25 13.461 -12.553 3.659 1.00 35.10 H new ATOM 0 HA PHE A 25 14.487 -9.849 3.118 1.00 60.32 H new ATOM 0 HB2 PHE A 25 16.036 -12.422 2.828 1.00 24.23 H new ATOM 0 HB3 PHE A 25 16.630 -10.816 3.203 1.00 24.23 H new ATOM 0 HD1 PHE A 25 15.389 -9.843 5.479 1.00 31.11 H new ATOM 0 HD2 PHE A 25 16.184 -13.927 4.568 1.00 32.52 H new ATOM 0 HE1 PHE A 25 15.340 -10.384 7.875 1.00 60.23 H new ATOM 0 HE2 PHE A 25 16.135 -14.473 6.963 1.00 14.32 H new ATOM 0 HZ PHE A 25 15.718 -12.701 8.622 1.00 73.24 H new ATOM 391 N ILE A 26 14.866 -10.044 0.643 1.00 13.20 N ATOM 392 CA ILE A 26 14.841 -10.068 -0.814 1.00 51.52 C ATOM 393 C ILE A 26 16.101 -9.436 -1.396 1.00 1.12 C ATOM 394 O ILE A 26 16.368 -8.252 -1.188 1.00 64.15 O ATOM 395 CB ILE A 26 13.608 -9.330 -1.368 1.00 53.33 C ATOM 396 CG1 ILE A 26 13.658 -9.284 -2.897 1.00 34.51 C ATOM 397 CG2 ILE A 26 13.530 -7.923 -0.794 1.00 35.24 C ATOM 398 CD1 ILE A 26 13.733 -10.652 -3.540 1.00 1.33 C ATOM 0 H ILE A 26 15.246 -9.187 1.045 1.00 13.20 H new ATOM 0 HA ILE A 26 14.792 -11.115 -1.111 1.00 51.52 H new ATOM 0 HB ILE A 26 12.713 -9.874 -1.068 1.00 53.33 H new ATOM 0 HG12 ILE A 26 12.773 -8.766 -3.266 1.00 34.51 H new ATOM 0 HG13 ILE A 26 14.523 -8.698 -3.207 1.00 34.51 H new ATOM 0 HG21 ILE A 26 12.653 -7.414 -1.195 1.00 35.24 H new ATOM 0 HG22 ILE A 26 13.453 -7.977 0.292 1.00 35.24 H new ATOM 0 HG23 ILE A 26 14.428 -7.368 -1.067 1.00 35.24 H new ATOM 0 HD11 ILE A 26 13.765 -10.543 -4.624 1.00 1.33 H new ATOM 0 HD12 ILE A 26 14.632 -11.165 -3.200 1.00 1.33 H new ATOM 0 HD13 ILE A 26 12.855 -11.234 -3.260 1.00 1.33 H new ATOM 410 N LYS A 27 16.872 -10.233 -2.127 1.00 24.30 N ATOM 411 CA LYS A 27 18.104 -9.753 -2.743 1.00 31.23 C ATOM 412 C LYS A 27 17.854 -8.472 -3.532 1.00 71.33 C ATOM 413 O LYS A 27 16.707 -8.085 -3.760 1.00 4.35 O ATOM 414 CB LYS A 27 18.690 -10.826 -3.663 1.00 61.11 C ATOM 415 CG LYS A 27 18.813 -12.190 -3.006 1.00 72.13 C ATOM 416 CD LYS A 27 20.031 -12.945 -3.512 1.00 10.24 C ATOM 417 CE LYS A 27 19.633 -14.198 -4.276 1.00 53.12 C ATOM 418 NZ LYS A 27 18.741 -13.886 -5.427 1.00 14.51 N ATOM 0 H LYS A 27 16.666 -11.215 -2.308 1.00 24.30 H new ATOM 0 HA LYS A 27 18.818 -9.536 -1.948 1.00 31.23 H new ATOM 0 HB2 LYS A 27 18.062 -10.915 -4.550 1.00 61.11 H new ATOM 0 HB3 LYS A 27 19.675 -10.505 -4.001 1.00 61.11 H new ATOM 0 HG2 LYS A 27 18.882 -12.069 -1.925 1.00 72.13 H new ATOM 0 HG3 LYS A 27 17.914 -12.773 -3.205 1.00 72.13 H new ATOM 0 HD2 LYS A 27 20.620 -12.295 -4.159 1.00 10.24 H new ATOM 0 HD3 LYS A 27 20.667 -13.218 -2.670 1.00 10.24 H new ATOM 0 HE2 LYS A 27 20.529 -14.703 -4.637 1.00 53.12 H new ATOM 0 HE3 LYS A 27 19.127 -14.889 -3.602 1.00 53.12 H new ATOM 0 HZ1 LYS A 27 18.815 -14.641 -6.138 1.00 14.51 H new ATOM 0 HZ2 LYS A 27 17.758 -13.817 -5.095 1.00 14.51 H new ATOM 0 HZ3 LYS A 27 19.027 -12.981 -5.852 1.00 14.51 H new ATOM 432 N CYS A 28 18.934 -7.820 -3.949 1.00 54.44 N ATOM 433 CA CYS A 28 18.832 -6.583 -4.715 1.00 0.13 C ATOM 434 C CYS A 28 19.302 -6.792 -6.151 1.00 72.25 C ATOM 435 O CYS A 28 20.417 -6.428 -6.526 1.00 31.24 O ATOM 436 CB CYS A 28 19.659 -5.479 -4.052 1.00 35.10 C ATOM 437 SG CYS A 28 19.591 -5.491 -2.232 1.00 23.24 S ATOM 0 H CYS A 28 19.890 -8.127 -3.770 1.00 54.44 H new ATOM 0 HA CYS A 28 17.785 -6.282 -4.734 1.00 0.13 H new ATOM 0 HB2 CYS A 28 20.698 -5.579 -4.367 1.00 35.10 H new ATOM 0 HB3 CYS A 28 19.309 -4.512 -4.412 1.00 35.10 H new ATOM 442 N PRO A 29 18.432 -7.393 -6.977 1.00 14.32 N ATOM 443 CA PRO A 29 18.734 -7.663 -8.385 1.00 63.54 C ATOM 444 C PRO A 29 18.797 -6.389 -9.220 1.00 40.02 C ATOM 445 O PRO A 29 19.400 -6.366 -10.293 1.00 70.24 O ATOM 446 CB PRO A 29 17.565 -8.542 -8.837 1.00 53.41 C ATOM 447 CG PRO A 29 16.447 -8.185 -7.919 1.00 72.12 C ATOM 448 CD PRO A 29 17.085 -7.853 -6.599 1.00 20.23 C ATOM 0 HA PRO A 29 19.710 -8.132 -8.509 1.00 63.54 H new ATOM 0 HB2 PRO A 29 17.302 -8.347 -9.877 1.00 53.41 H new ATOM 0 HB3 PRO A 29 17.814 -9.601 -8.765 1.00 53.41 H new ATOM 0 HG2 PRO A 29 15.882 -7.336 -8.304 1.00 72.12 H new ATOM 0 HG3 PRO A 29 15.747 -9.014 -7.816 1.00 72.12 H new ATOM 0 HD2 PRO A 29 16.530 -7.079 -6.068 1.00 20.23 H new ATOM 0 HD3 PRO A 29 17.127 -8.722 -5.943 1.00 20.23 H new ATOM 456 N LYS A 30 18.171 -5.329 -8.721 1.00 12.21 N ATOM 457 CA LYS A 30 18.156 -4.049 -9.419 1.00 43.12 C ATOM 458 C LYS A 30 19.571 -3.616 -9.791 1.00 11.00 C ATOM 459 O LYS A 30 19.906 -3.503 -10.970 1.00 44.51 O ATOM 460 CB LYS A 30 17.496 -2.977 -8.549 1.00 73.31 C ATOM 461 CG LYS A 30 16.344 -2.263 -9.234 1.00 55.20 C ATOM 462 CD LYS A 30 16.841 -1.256 -10.257 1.00 41.32 C ATOM 463 CE LYS A 30 16.442 0.163 -9.882 1.00 50.34 C ATOM 464 NZ LYS A 30 14.964 0.346 -9.896 1.00 61.25 N ATOM 0 H LYS A 30 17.667 -5.331 -7.834 1.00 12.21 H new ATOM 0 HA LYS A 30 17.578 -4.170 -10.335 1.00 43.12 H new ATOM 0 HB2 LYS A 30 17.132 -3.439 -7.631 1.00 73.31 H new ATOM 0 HB3 LYS A 30 18.247 -2.242 -8.260 1.00 73.31 H new ATOM 0 HG2 LYS A 30 15.702 -2.994 -9.725 1.00 55.20 H new ATOM 0 HG3 LYS A 30 15.735 -1.754 -8.487 1.00 55.20 H new ATOM 0 HD2 LYS A 30 17.926 -1.321 -10.336 1.00 41.32 H new ATOM 0 HD3 LYS A 30 16.435 -1.502 -11.238 1.00 41.32 H new ATOM 0 HE2 LYS A 30 16.828 0.398 -8.890 1.00 50.34 H new ATOM 0 HE3 LYS A 30 16.901 0.865 -10.578 1.00 50.34 H new ATOM 0 HZ1 LYS A 30 14.740 1.355 -10.008 1.00 61.25 H new ATOM 0 HZ2 LYS A 30 14.555 -0.189 -10.689 1.00 61.25 H new ATOM 0 HZ3 LYS A 30 14.563 -0.000 -9.001 1.00 61.25 H new ATOM 478 N PHE A 31 20.397 -3.377 -8.778 1.00 1.30 N ATOM 479 CA PHE A 31 21.776 -2.957 -8.999 1.00 0.22 C ATOM 480 C PHE A 31 22.748 -4.085 -8.666 1.00 70.14 C ATOM 481 O PHE A 31 23.092 -4.300 -7.504 1.00 71.41 O ATOM 482 CB PHE A 31 22.098 -1.725 -8.151 1.00 3.40 C ATOM 483 CG PHE A 31 20.884 -0.929 -7.764 1.00 45.13 C ATOM 484 CD1 PHE A 31 20.148 -1.266 -6.640 1.00 70.02 C ATOM 485 CD2 PHE A 31 20.480 0.156 -8.525 1.00 73.03 C ATOM 486 CE1 PHE A 31 19.031 -0.536 -6.281 1.00 54.33 C ATOM 487 CE2 PHE A 31 19.364 0.890 -8.171 1.00 54.21 C ATOM 488 CZ PHE A 31 18.637 0.543 -7.048 1.00 45.25 C ATOM 0 H PHE A 31 20.136 -3.467 -7.796 1.00 1.30 H new ATOM 0 HA PHE A 31 21.888 -2.704 -10.053 1.00 0.22 H new ATOM 0 HB2 PHE A 31 22.618 -2.042 -7.247 1.00 3.40 H new ATOM 0 HB3 PHE A 31 22.783 -1.082 -8.704 1.00 3.40 H new ATOM 0 HD1 PHE A 31 20.451 -2.109 -6.037 1.00 70.02 H new ATOM 0 HD2 PHE A 31 21.043 0.431 -9.404 1.00 73.03 H new ATOM 0 HE1 PHE A 31 18.467 -0.809 -5.402 1.00 54.33 H new ATOM 0 HE2 PHE A 31 19.060 1.735 -8.772 1.00 54.21 H new ATOM 0 HZ PHE A 31 17.763 1.114 -6.771 1.00 45.25 H new ATOM 498 N ASP A 32 23.186 -4.802 -9.695 1.00 63.41 N ATOM 499 CA ASP A 32 24.119 -5.909 -9.514 1.00 11.32 C ATOM 500 C ASP A 32 25.523 -5.392 -9.217 1.00 23.35 C ATOM 501 O ASP A 32 26.425 -6.166 -8.897 1.00 51.13 O ATOM 502 CB ASP A 32 24.141 -6.795 -10.760 1.00 41.44 C ATOM 503 CG ASP A 32 22.772 -6.935 -11.395 1.00 53.24 C ATOM 504 OD1 ASP A 32 22.048 -7.890 -11.042 1.00 3.31 O ATOM 505 OD2 ASP A 32 22.423 -6.089 -12.245 1.00 71.22 O ATOM 0 H ASP A 32 22.910 -4.637 -10.663 1.00 63.41 H new ATOM 0 HA ASP A 32 23.781 -6.501 -8.663 1.00 11.32 H new ATOM 0 HB2 ASP A 32 24.835 -6.375 -11.488 1.00 41.44 H new ATOM 0 HB3 ASP A 32 24.517 -7.783 -10.493 1.00 41.44 H new ATOM 510 N ASN A 33 25.701 -4.080 -9.325 1.00 11.40 N ATOM 511 CA ASN A 33 26.996 -3.460 -9.069 1.00 41.24 C ATOM 512 C ASN A 33 26.879 -2.375 -8.003 1.00 40.23 C ATOM 513 O ASN A 33 27.803 -1.588 -7.798 1.00 5.02 O ATOM 514 CB ASN A 33 27.563 -2.864 -10.359 1.00 41.14 C ATOM 515 CG ASN A 33 28.749 -3.649 -10.886 1.00 51.35 C ATOM 516 OD1 ASN A 33 28.738 -4.124 -12.022 1.00 53.32 O ATOM 517 ND2 ASN A 33 29.780 -3.789 -10.061 1.00 53.50 N ATOM 0 H ASN A 33 24.965 -3.425 -9.588 1.00 11.40 H new ATOM 0 HA ASN A 33 27.674 -4.231 -8.704 1.00 41.24 H new ATOM 0 HB2 ASN A 33 26.781 -2.838 -11.118 1.00 41.14 H new ATOM 0 HB3 ASN A 33 27.865 -1.833 -10.177 1.00 41.14 H new ATOM 0 HD21 ASN A 33 30.606 -4.307 -10.360 1.00 53.50 H new ATOM 0 HD22 ASN A 33 29.746 -3.378 -9.128 1.00 53.50 H new ATOM 524 N LYS A 34 25.736 -2.339 -7.327 1.00 1.24 N ATOM 525 CA LYS A 34 25.497 -1.352 -6.280 1.00 31.43 C ATOM 526 C LYS A 34 24.491 -1.875 -5.259 1.00 61.31 C ATOM 527 O LYS A 34 23.843 -1.099 -4.556 1.00 62.25 O ATOM 528 CB LYS A 34 24.988 -0.045 -6.890 1.00 14.54 C ATOM 529 CG LYS A 34 26.044 0.712 -7.676 1.00 2.13 C ATOM 530 CD LYS A 34 27.228 1.087 -6.801 1.00 4.05 C ATOM 531 CE LYS A 34 27.450 2.592 -6.777 1.00 61.43 C ATOM 532 NZ LYS A 34 28.859 2.940 -6.441 1.00 75.44 N ATOM 0 H LYS A 34 24.960 -2.982 -7.485 1.00 1.24 H new ATOM 0 HA LYS A 34 26.442 -1.164 -5.770 1.00 31.43 H new ATOM 0 HB2 LYS A 34 24.146 -0.264 -7.547 1.00 14.54 H new ATOM 0 HB3 LYS A 34 24.612 0.596 -6.093 1.00 14.54 H new ATOM 0 HG2 LYS A 34 26.386 0.100 -8.510 1.00 2.13 H new ATOM 0 HG3 LYS A 34 25.605 1.614 -8.102 1.00 2.13 H new ATOM 0 HD2 LYS A 34 27.060 0.727 -5.786 1.00 4.05 H new ATOM 0 HD3 LYS A 34 28.126 0.592 -7.170 1.00 4.05 H new ATOM 0 HE2 LYS A 34 27.194 3.012 -7.750 1.00 61.43 H new ATOM 0 HE3 LYS A 34 26.780 3.046 -6.047 1.00 61.43 H new ATOM 0 HZ1 LYS A 34 28.969 3.974 -6.435 1.00 75.44 H new ATOM 0 HZ2 LYS A 34 29.096 2.561 -5.502 1.00 75.44 H new ATOM 0 HZ3 LYS A 34 29.497 2.528 -7.151 1.00 75.44 H new ATOM 546 N LYS A 35 24.366 -3.196 -5.181 1.00 43.22 N ATOM 547 CA LYS A 35 23.442 -3.824 -4.245 1.00 13.54 C ATOM 548 C LYS A 35 23.683 -3.323 -2.824 1.00 61.20 C ATOM 549 O LYS A 35 24.683 -2.659 -2.550 1.00 65.33 O ATOM 550 CB LYS A 35 23.590 -5.346 -4.293 1.00 1.14 C ATOM 551 CG LYS A 35 25.012 -5.826 -4.061 1.00 65.04 C ATOM 552 CD LYS A 35 25.400 -6.917 -5.046 1.00 12.22 C ATOM 553 CE LYS A 35 26.868 -6.823 -5.432 1.00 30.30 C ATOM 554 NZ LYS A 35 27.273 -7.929 -6.343 1.00 63.13 N ATOM 0 H LYS A 35 24.894 -3.853 -5.756 1.00 43.22 H new ATOM 0 HA LYS A 35 22.427 -3.555 -4.539 1.00 13.54 H new ATOM 0 HB2 LYS A 35 22.938 -5.790 -3.541 1.00 1.14 H new ATOM 0 HB3 LYS A 35 23.248 -5.706 -5.263 1.00 1.14 H new ATOM 0 HG2 LYS A 35 25.701 -4.986 -4.157 1.00 65.04 H new ATOM 0 HG3 LYS A 35 25.108 -6.203 -3.043 1.00 65.04 H new ATOM 0 HD2 LYS A 35 25.200 -7.894 -4.606 1.00 12.22 H new ATOM 0 HD3 LYS A 35 24.782 -6.838 -5.940 1.00 12.22 H new ATOM 0 HE2 LYS A 35 27.055 -5.865 -5.918 1.00 30.30 H new ATOM 0 HE3 LYS A 35 27.483 -6.850 -4.532 1.00 30.30 H new ATOM 0 HZ1 LYS A 35 28.285 -8.130 -6.216 1.00 63.13 H new ATOM 0 HZ2 LYS A 35 26.720 -8.781 -6.121 1.00 63.13 H new ATOM 0 HZ3 LYS A 35 27.097 -7.649 -7.329 1.00 63.13 H new ATOM 568 N CYS A 36 22.762 -3.647 -1.923 1.00 54.20 N ATOM 569 CA CYS A 36 22.874 -3.231 -0.530 1.00 62.51 C ATOM 570 C CYS A 36 24.242 -3.600 0.038 1.00 15.15 C ATOM 571 O CYS A 36 24.594 -4.777 0.127 1.00 14.31 O ATOM 572 CB CYS A 36 21.770 -3.879 0.308 1.00 51.12 C ATOM 573 SG CYS A 36 20.241 -2.893 0.412 1.00 23.53 S ATOM 0 H CYS A 36 21.929 -4.197 -2.133 1.00 54.20 H new ATOM 0 HA CYS A 36 22.763 -2.147 -0.489 1.00 62.51 H new ATOM 0 HB2 CYS A 36 21.532 -4.855 -0.115 1.00 51.12 H new ATOM 0 HB3 CYS A 36 22.148 -4.052 1.316 1.00 51.12 H new ATOM 578 N THR A 37 25.009 -2.585 0.423 1.00 23.04 N ATOM 579 CA THR A 37 26.338 -2.801 0.983 1.00 53.25 C ATOM 580 C THR A 37 26.489 -2.100 2.328 1.00 75.11 C ATOM 581 O THR A 37 27.551 -1.565 2.645 1.00 11.15 O ATOM 582 CB THR A 37 27.437 -2.298 0.028 1.00 4.34 C ATOM 583 OG1 THR A 37 27.132 -0.971 -0.415 1.00 74.03 O ATOM 584 CG2 THR A 37 27.575 -3.221 -1.173 1.00 41.41 C ATOM 0 H THR A 37 24.733 -1.605 0.357 1.00 23.04 H new ATOM 0 HA THR A 37 26.452 -3.876 1.123 1.00 53.25 H new ATOM 0 HB THR A 37 28.383 -2.291 0.570 1.00 4.34 H new ATOM 0 HG1 THR A 37 27.836 -0.658 -1.020 1.00 74.03 H new ATOM 0 HG21 THR A 37 28.357 -2.845 -1.833 1.00 41.41 H new ATOM 0 HG22 THR A 37 27.837 -4.223 -0.834 1.00 41.41 H new ATOM 0 HG23 THR A 37 26.630 -3.257 -1.715 1.00 41.41 H new ATOM 592 N LYS A 38 25.419 -2.107 3.116 1.00 22.14 N ATOM 593 CA LYS A 38 25.432 -1.474 4.430 1.00 42.12 C ATOM 594 C LYS A 38 24.483 -2.188 5.387 1.00 3.53 C ATOM 595 O LYS A 38 23.522 -2.828 4.961 1.00 24.42 O ATOM 596 CB LYS A 38 25.041 0.001 4.312 1.00 73.24 C ATOM 597 CG LYS A 38 26.169 0.959 4.652 1.00 30.15 C ATOM 598 CD LYS A 38 26.169 1.318 6.129 1.00 72.20 C ATOM 599 CE LYS A 38 27.477 0.926 6.798 1.00 23.50 C ATOM 600 NZ LYS A 38 27.592 1.496 8.169 1.00 42.02 N ATOM 0 H LYS A 38 24.532 -2.544 2.868 1.00 22.14 H new ATOM 0 HA LYS A 38 26.444 -1.544 4.830 1.00 42.12 H new ATOM 0 HB2 LYS A 38 24.703 0.198 3.295 1.00 73.24 H new ATOM 0 HB3 LYS A 38 24.197 0.198 4.973 1.00 73.24 H new ATOM 0 HG2 LYS A 38 27.124 0.507 4.387 1.00 30.15 H new ATOM 0 HG3 LYS A 38 26.069 1.866 4.056 1.00 30.15 H new ATOM 0 HD2 LYS A 38 26.007 2.390 6.244 1.00 72.20 H new ATOM 0 HD3 LYS A 38 25.340 0.815 6.627 1.00 72.20 H new ATOM 0 HE2 LYS A 38 27.547 -0.161 6.849 1.00 23.50 H new ATOM 0 HE3 LYS A 38 28.313 1.271 6.190 1.00 23.50 H new ATOM 0 HZ1 LYS A 38 28.497 1.206 8.591 1.00 42.02 H new ATOM 0 HZ2 LYS A 38 27.551 2.534 8.118 1.00 42.02 H new ATOM 0 HZ3 LYS A 38 26.808 1.147 8.757 1.00 42.02 H new ATOM 614 N ASP A 39 24.758 -2.071 6.682 1.00 44.03 N ATOM 615 CA ASP A 39 23.927 -2.703 7.700 1.00 64.01 C ATOM 616 C ASP A 39 22.803 -1.771 8.139 1.00 55.31 C ATOM 617 O ASP A 39 23.051 -0.667 8.622 1.00 20.11 O ATOM 618 CB ASP A 39 24.777 -3.101 8.908 1.00 44.14 C ATOM 619 CG ASP A 39 25.665 -1.970 9.389 1.00 53.21 C ATOM 620 OD1 ASP A 39 26.803 -1.855 8.889 1.00 44.53 O ATOM 621 OD2 ASP A 39 25.220 -1.199 10.265 1.00 22.31 O ATOM 0 H ASP A 39 25.550 -1.544 7.051 1.00 44.03 H new ATOM 0 HA ASP A 39 23.483 -3.599 7.266 1.00 64.01 H new ATOM 0 HB2 ASP A 39 24.123 -3.416 9.721 1.00 44.14 H new ATOM 0 HB3 ASP A 39 25.396 -3.959 8.646 1.00 44.14 H new ATOM 626 N ASN A 40 21.565 -2.223 7.966 1.00 53.21 N ATOM 627 CA ASN A 40 20.401 -1.428 8.343 1.00 62.22 C ATOM 628 C ASN A 40 20.312 -0.160 7.499 1.00 71.30 C ATOM 629 O ASN A 40 19.995 0.914 8.007 1.00 53.21 O ATOM 630 CB ASN A 40 20.466 -1.063 9.827 1.00 2.11 C ATOM 631 CG ASN A 40 20.912 -2.228 10.690 1.00 15.42 C ATOM 632 OD1 ASN A 40 22.106 -2.495 10.823 1.00 11.14 O ATOM 633 ND2 ASN A 40 19.950 -2.927 11.281 1.00 20.34 N ATOM 0 H ASN A 40 21.342 -3.135 7.567 1.00 53.21 H new ATOM 0 HA ASN A 40 19.509 -2.027 8.162 1.00 62.22 H new ATOM 0 HB2 ASN A 40 21.154 -0.229 9.963 1.00 2.11 H new ATOM 0 HB3 ASN A 40 19.485 -0.724 10.158 1.00 2.11 H new ATOM 0 HD21 ASN A 40 20.188 -3.722 11.874 1.00 20.34 H new ATOM 0 HD22 ASN A 40 18.973 -2.669 11.142 1.00 20.34 H new ATOM 640 N ASN A 41 20.594 -0.295 6.207 1.00 14.20 N ATOM 641 CA ASN A 41 20.545 0.840 5.292 1.00 21.11 C ATOM 642 C ASN A 41 19.106 1.167 4.907 1.00 75.11 C ATOM 643 O ASN A 41 18.159 0.625 5.479 1.00 44.21 O ATOM 644 CB ASN A 41 21.366 0.544 4.036 1.00 64.15 C ATOM 645 CG ASN A 41 20.838 -0.653 3.268 1.00 10.40 C ATOM 646 OD1 ASN A 41 19.877 -0.541 2.507 1.00 52.21 O ATOM 647 ND2 ASN A 41 21.466 -1.806 3.466 1.00 75.15 N ATOM 0 H ASN A 41 20.859 -1.178 5.770 1.00 14.20 H new ATOM 0 HA ASN A 41 20.971 1.704 5.802 1.00 21.11 H new ATOM 0 HB2 ASN A 41 21.360 1.420 3.387 1.00 64.15 H new ATOM 0 HB3 ASN A 41 22.403 0.363 4.318 1.00 64.15 H new ATOM 0 HD21 ASN A 41 21.156 -2.646 2.978 1.00 75.15 H new ATOM 0 HD22 ASN A 41 22.259 -1.852 4.106 1.00 75.15 H new ATOM 654 N LYS A 42 18.947 2.057 3.933 1.00 61.42 N ATOM 655 CA LYS A 42 17.624 2.456 3.468 1.00 31.23 C ATOM 656 C LYS A 42 17.315 1.837 2.109 1.00 33.41 C ATOM 657 O LYS A 42 17.936 2.181 1.103 1.00 73.21 O ATOM 658 CB LYS A 42 17.531 3.981 3.379 1.00 32.20 C ATOM 659 CG LYS A 42 16.108 4.497 3.252 1.00 71.22 C ATOM 660 CD LYS A 42 15.641 5.167 4.533 1.00 3.31 C ATOM 661 CE LYS A 42 14.280 5.823 4.355 1.00 5.12 C ATOM 662 NZ LYS A 42 14.017 6.846 5.405 1.00 55.35 N ATOM 0 H LYS A 42 19.719 2.516 3.450 1.00 61.42 H new ATOM 0 HA LYS A 42 16.889 2.094 4.187 1.00 31.23 H new ATOM 0 HB2 LYS A 42 17.989 4.417 4.267 1.00 32.20 H new ATOM 0 HB3 LYS A 42 18.110 4.323 2.521 1.00 32.20 H new ATOM 0 HG2 LYS A 42 16.050 5.207 2.427 1.00 71.22 H new ATOM 0 HG3 LYS A 42 15.441 3.670 3.009 1.00 71.22 H new ATOM 0 HD2 LYS A 42 15.588 4.428 5.333 1.00 3.31 H new ATOM 0 HD3 LYS A 42 16.370 5.917 4.839 1.00 3.31 H new ATOM 0 HE2 LYS A 42 14.228 6.290 3.371 1.00 5.12 H new ATOM 0 HE3 LYS A 42 13.502 5.060 4.388 1.00 5.12 H new ATOM 0 HZ1 LYS A 42 13.080 7.270 5.249 1.00 55.35 H new ATOM 0 HZ2 LYS A 42 14.042 6.396 6.342 1.00 55.35 H new ATOM 0 HZ3 LYS A 42 14.745 7.587 5.358 1.00 55.35 H new ATOM 676 N CYS A 43 16.351 0.923 2.086 1.00 75.50 N ATOM 677 CA CYS A 43 15.958 0.256 0.850 1.00 34.24 C ATOM 678 C CYS A 43 14.480 -0.122 0.883 1.00 74.43 C ATOM 679 O CYS A 43 13.940 -0.477 1.931 1.00 21.14 O ATOM 680 CB CYS A 43 16.811 -0.995 0.628 1.00 54.44 C ATOM 681 SG CYS A 43 16.380 -2.392 1.714 1.00 12.22 S ATOM 0 H CYS A 43 15.827 0.627 2.910 1.00 75.50 H new ATOM 0 HA CYS A 43 16.120 0.949 0.024 1.00 34.24 H new ATOM 0 HB2 CYS A 43 16.710 -1.311 -0.410 1.00 54.44 H new ATOM 0 HB3 CYS A 43 17.859 -0.739 0.782 1.00 54.44 H new ATOM 686 N THR A 44 13.829 -0.044 -0.274 1.00 60.41 N ATOM 687 CA THR A 44 12.414 -0.377 -0.379 1.00 60.22 C ATOM 688 C THR A 44 12.188 -1.507 -1.377 1.00 55.24 C ATOM 689 O THR A 44 12.812 -1.547 -2.437 1.00 43.24 O ATOM 690 CB THR A 44 11.580 0.845 -0.806 1.00 53.14 C ATOM 691 OG1 THR A 44 12.136 1.429 -1.990 1.00 21.33 O ATOM 692 CG2 THR A 44 11.534 1.884 0.304 1.00 33.21 C ATOM 0 H THR A 44 14.260 0.247 -1.152 1.00 60.41 H new ATOM 0 HA THR A 44 12.091 -0.700 0.611 1.00 60.22 H new ATOM 0 HB THR A 44 10.563 0.509 -1.010 1.00 53.14 H new ATOM 0 HG1 THR A 44 11.599 2.204 -2.256 1.00 21.33 H new ATOM 0 HG21 THR A 44 10.939 2.738 -0.021 1.00 33.21 H new ATOM 0 HG22 THR A 44 11.083 1.446 1.194 1.00 33.21 H new ATOM 0 HG23 THR A 44 12.547 2.214 0.535 1.00 33.21 H new ATOM 700 N VAL A 45 11.289 -2.424 -1.032 1.00 42.15 N ATOM 701 CA VAL A 45 10.979 -3.554 -1.900 1.00 34.02 C ATOM 702 C VAL A 45 9.745 -3.272 -2.750 1.00 11.23 C ATOM 703 O VAL A 45 8.776 -2.678 -2.277 1.00 53.43 O ATOM 704 CB VAL A 45 10.744 -4.839 -1.084 1.00 74.43 C ATOM 705 CG1 VAL A 45 10.372 -5.994 -2.002 1.00 55.22 C ATOM 706 CG2 VAL A 45 11.976 -5.179 -0.259 1.00 73.23 C ATOM 0 H VAL A 45 10.763 -2.406 -0.158 1.00 42.15 H new ATOM 0 HA VAL A 45 11.840 -3.698 -2.552 1.00 34.02 H new ATOM 0 HB VAL A 45 9.913 -4.667 -0.400 1.00 74.43 H new ATOM 0 HG11 VAL A 45 10.210 -6.893 -1.408 1.00 55.22 H new ATOM 0 HG12 VAL A 45 9.459 -5.748 -2.545 1.00 55.22 H new ATOM 0 HG13 VAL A 45 11.180 -6.169 -2.712 1.00 55.22 H new ATOM 0 HG21 VAL A 45 11.792 -6.090 0.311 1.00 73.23 H new ATOM 0 HG22 VAL A 45 12.827 -5.332 -0.922 1.00 73.23 H new ATOM 0 HG23 VAL A 45 12.193 -4.359 0.426 1.00 73.23 H new ATOM 716 N ASP A 46 9.788 -3.702 -4.006 1.00 33.02 N ATOM 717 CA ASP A 46 8.672 -3.497 -4.923 1.00 23.34 C ATOM 718 C ASP A 46 8.126 -4.832 -5.421 1.00 4.32 C ATOM 719 O ASP A 46 8.801 -5.557 -6.153 1.00 12.01 O ATOM 720 CB ASP A 46 9.111 -2.637 -6.109 1.00 15.45 C ATOM 721 CG ASP A 46 8.439 -1.278 -6.117 1.00 54.42 C ATOM 722 OD1 ASP A 46 7.204 -1.227 -6.300 1.00 10.15 O ATOM 723 OD2 ASP A 46 9.147 -0.265 -5.941 1.00 2.23 O ATOM 0 H ASP A 46 10.583 -4.195 -4.413 1.00 33.02 H new ATOM 0 HA ASP A 46 7.879 -2.980 -4.383 1.00 23.34 H new ATOM 0 HB2 ASP A 46 10.192 -2.504 -6.078 1.00 15.45 H new ATOM 0 HB3 ASP A 46 8.881 -3.159 -7.038 1.00 15.45 H new ATOM 728 N THR A 47 6.900 -5.151 -5.018 1.00 62.34 N ATOM 729 CA THR A 47 6.264 -6.399 -5.422 1.00 23.13 C ATOM 730 C THR A 47 5.384 -6.196 -6.650 1.00 2.14 C ATOM 731 O THR A 47 4.424 -6.935 -6.866 1.00 35.00 O ATOM 732 CB THR A 47 5.410 -6.988 -4.283 1.00 52.43 C ATOM 733 OG1 THR A 47 4.939 -8.290 -4.647 1.00 53.13 O ATOM 734 CG2 THR A 47 4.227 -6.084 -3.972 1.00 13.42 C ATOM 0 H THR A 47 6.328 -4.563 -4.412 1.00 62.34 H new ATOM 0 HA THR A 47 7.065 -7.098 -5.665 1.00 23.13 H new ATOM 0 HB THR A 47 6.034 -7.064 -3.392 1.00 52.43 H new ATOM 0 HG1 THR A 47 4.517 -8.250 -5.531 1.00 53.13 H new ATOM 0 HG21 THR A 47 3.638 -6.520 -3.165 1.00 13.42 H new ATOM 0 HG22 THR A 47 4.590 -5.102 -3.667 1.00 13.42 H new ATOM 0 HG23 THR A 47 3.604 -5.981 -4.861 1.00 13.42 H new ATOM 742 N TYR A 48 5.718 -5.191 -7.451 1.00 50.40 N ATOM 743 CA TYR A 48 4.956 -4.889 -8.657 1.00 62.32 C ATOM 744 C TYR A 48 5.816 -5.073 -9.904 1.00 75.34 C ATOM 745 O TYR A 48 5.303 -5.331 -10.993 1.00 14.55 O ATOM 746 CB TYR A 48 4.418 -3.459 -8.602 1.00 11.33 C ATOM 747 CG TYR A 48 3.218 -3.228 -9.492 1.00 34.42 C ATOM 748 CD1 TYR A 48 1.942 -3.594 -9.079 1.00 61.45 C ATOM 749 CD2 TYR A 48 3.359 -2.646 -10.745 1.00 53.12 C ATOM 750 CE1 TYR A 48 0.842 -3.387 -9.890 1.00 4.45 C ATOM 751 CE2 TYR A 48 2.265 -2.433 -11.561 1.00 73.03 C ATOM 752 CZ TYR A 48 1.009 -2.805 -11.129 1.00 72.22 C ATOM 753 OH TYR A 48 -0.083 -2.596 -11.940 1.00 34.13 O ATOM 0 H TYR A 48 6.511 -4.571 -7.287 1.00 50.40 H new ATOM 0 HA TYR A 48 4.117 -5.583 -8.709 1.00 62.32 H new ATOM 0 HB2 TYR A 48 4.148 -3.221 -7.573 1.00 11.33 H new ATOM 0 HB3 TYR A 48 5.212 -2.770 -8.891 1.00 11.33 H new ATOM 0 HD1 TYR A 48 1.808 -4.048 -8.108 1.00 61.45 H new ATOM 0 HD2 TYR A 48 4.341 -2.355 -11.087 1.00 53.12 H new ATOM 0 HE1 TYR A 48 -0.142 -3.679 -9.555 1.00 4.45 H new ATOM 0 HE2 TYR A 48 2.392 -1.978 -12.532 1.00 73.03 H new ATOM 0 HH TYR A 48 0.207 -2.176 -12.777 1.00 34.13 H new ATOM 763 N ASN A 49 7.127 -4.940 -9.736 1.00 41.32 N ATOM 764 CA ASN A 49 8.060 -5.091 -10.847 1.00 75.04 C ATOM 765 C ASN A 49 9.276 -5.911 -10.429 1.00 2.22 C ATOM 766 O ASN A 49 10.282 -5.952 -11.135 1.00 63.15 O ATOM 767 CB ASN A 49 8.506 -3.719 -11.356 1.00 53.14 C ATOM 768 CG ASN A 49 8.683 -2.715 -10.233 1.00 74.15 C ATOM 769 OD1 ASN A 49 7.758 -1.977 -9.895 1.00 13.43 O ATOM 770 ND2 ASN A 49 9.875 -2.684 -9.651 1.00 3.15 N ATOM 0 H ASN A 49 7.568 -4.728 -8.841 1.00 41.32 H new ATOM 0 HA ASN A 49 7.547 -5.620 -11.650 1.00 75.04 H new ATOM 0 HB2 ASN A 49 9.446 -3.824 -11.898 1.00 53.14 H new ATOM 0 HB3 ASN A 49 7.770 -3.341 -12.065 1.00 53.14 H new ATOM 0 HD21 ASN A 49 10.054 -2.029 -8.890 1.00 3.15 H new ATOM 0 HD22 ASN A 49 10.612 -3.315 -9.965 1.00 3.15 H new ATOM 777 N ASN A 50 9.175 -6.562 -9.275 1.00 23.42 N ATOM 778 CA ASN A 50 10.267 -7.382 -8.762 1.00 4.44 C ATOM 779 C ASN A 50 11.576 -6.598 -8.750 1.00 2.34 C ATOM 780 O ASN A 50 12.380 -6.697 -9.676 1.00 73.44 O ATOM 781 CB ASN A 50 10.425 -8.646 -9.608 1.00 21.40 C ATOM 782 CG ASN A 50 9.101 -9.341 -9.862 1.00 2.01 C ATOM 783 OD1 ASN A 50 8.501 -9.187 -10.926 1.00 32.23 O ATOM 784 ND2 ASN A 50 8.640 -10.110 -8.883 1.00 35.30 N ATOM 0 H ASN A 50 8.349 -6.538 -8.677 1.00 23.42 H new ATOM 0 HA ASN A 50 10.024 -7.667 -7.738 1.00 4.44 H new ATOM 0 HB2 ASN A 50 10.885 -8.387 -10.562 1.00 21.40 H new ATOM 0 HB3 ASN A 50 11.103 -9.335 -9.104 1.00 21.40 H new ATOM 0 HD21 ASN A 50 7.754 -10.603 -8.996 1.00 35.30 H new ATOM 0 HD22 ASN A 50 9.172 -10.208 -8.018 1.00 35.30 H new ATOM 791 N ALA A 51 11.783 -5.819 -7.693 1.00 43.41 N ATOM 792 CA ALA A 51 12.995 -5.020 -7.559 1.00 2.13 C ATOM 793 C ALA A 51 13.055 -4.338 -6.196 1.00 21.31 C ATOM 794 O ALA A 51 12.046 -4.234 -5.498 1.00 4.40 O ATOM 795 CB ALA A 51 13.072 -3.986 -8.672 1.00 53.31 C ATOM 0 H ALA A 51 11.127 -5.724 -6.917 1.00 43.41 H new ATOM 0 HA ALA A 51 13.852 -5.689 -7.640 1.00 2.13 H new ATOM 0 HB1 ALA A 51 13.982 -3.397 -8.559 1.00 53.31 H new ATOM 0 HB2 ALA A 51 13.084 -4.491 -9.638 1.00 53.31 H new ATOM 0 HB3 ALA A 51 12.205 -3.328 -8.618 1.00 53.31 H new ATOM 801 N VAL A 52 14.244 -3.876 -5.822 1.00 63.51 N ATOM 802 CA VAL A 52 14.436 -3.204 -4.543 1.00 34.45 C ATOM 803 C VAL A 52 15.318 -1.971 -4.696 1.00 43.12 C ATOM 804 O VAL A 52 16.172 -1.912 -5.581 1.00 71.14 O ATOM 805 CB VAL A 52 15.068 -4.148 -3.502 1.00 14.11 C ATOM 806 CG1 VAL A 52 16.569 -4.255 -3.720 1.00 41.12 C ATOM 807 CG2 VAL A 52 14.758 -3.669 -2.092 1.00 3.23 C ATOM 0 H VAL A 52 15.089 -3.955 -6.387 1.00 63.51 H new ATOM 0 HA VAL A 52 13.449 -2.899 -4.195 1.00 34.45 H new ATOM 0 HB VAL A 52 14.636 -5.141 -3.627 1.00 14.11 H new ATOM 0 HG11 VAL A 52 16.998 -4.926 -2.976 1.00 41.12 H new ATOM 0 HG12 VAL A 52 16.765 -4.648 -4.718 1.00 41.12 H new ATOM 0 HG13 VAL A 52 17.022 -3.268 -3.623 1.00 41.12 H new ATOM 0 HG21 VAL A 52 15.212 -4.347 -1.369 1.00 3.23 H new ATOM 0 HG22 VAL A 52 15.161 -2.666 -1.952 1.00 3.23 H new ATOM 0 HG23 VAL A 52 13.678 -3.650 -1.943 1.00 3.23 H new ATOM 817 N ASP A 53 15.107 -0.988 -3.828 1.00 43.54 N ATOM 818 CA ASP A 53 15.885 0.246 -3.866 1.00 70.51 C ATOM 819 C ASP A 53 17.052 0.182 -2.885 1.00 54.32 C ATOM 820 O ASP A 53 17.193 1.043 -2.016 1.00 32.34 O ATOM 821 CB ASP A 53 14.994 1.446 -3.542 1.00 21.33 C ATOM 822 CG ASP A 53 14.250 1.960 -4.758 1.00 41.13 C ATOM 823 OD1 ASP A 53 14.065 3.191 -4.865 1.00 30.25 O ATOM 824 OD2 ASP A 53 13.854 1.132 -5.605 1.00 13.23 O ATOM 0 H ASP A 53 14.404 -1.021 -3.090 1.00 43.54 H new ATOM 0 HA ASP A 53 16.286 0.364 -4.873 1.00 70.51 H new ATOM 0 HB2 ASP A 53 14.275 1.164 -2.773 1.00 21.33 H new ATOM 0 HB3 ASP A 53 15.606 2.248 -3.128 1.00 21.33 H new ATOM 829 N CYS A 54 17.885 -0.842 -3.030 1.00 60.42 N ATOM 830 CA CYS A 54 19.039 -1.020 -2.157 1.00 12.12 C ATOM 831 C CYS A 54 20.026 0.132 -2.319 1.00 43.13 C ATOM 832 O CYS A 54 20.338 0.543 -3.437 1.00 52.31 O ATOM 833 CB CYS A 54 19.734 -2.349 -2.459 1.00 41.33 C ATOM 834 SG CYS A 54 19.102 -3.756 -1.491 1.00 32.11 S ATOM 0 H CYS A 54 17.783 -1.562 -3.745 1.00 60.42 H new ATOM 0 HA CYS A 54 18.685 -1.030 -1.126 1.00 12.12 H new ATOM 0 HB2 CYS A 54 19.622 -2.572 -3.520 1.00 41.33 H new ATOM 0 HB3 CYS A 54 20.801 -2.240 -2.267 1.00 41.33 H new ATOM 839 N ASP A 55 20.515 0.648 -1.197 1.00 32.32 N ATOM 840 CA ASP A 55 21.468 1.751 -1.214 1.00 1.23 C ATOM 841 C ASP A 55 22.645 1.439 -2.133 1.00 74.13 C ATOM 842 O ASP A 55 23.556 2.253 -2.289 1.00 62.41 O ATOM 843 CB ASP A 55 21.973 2.039 0.201 1.00 31.11 C ATOM 844 CG ASP A 55 21.525 3.394 0.711 1.00 13.33 C ATOM 845 OD1 ASP A 55 22.337 4.342 0.672 1.00 44.03 O ATOM 846 OD2 ASP A 55 20.361 3.508 1.149 1.00 20.34 O ATOM 0 H ASP A 55 20.267 0.320 -0.264 1.00 32.32 H new ATOM 0 HA ASP A 55 20.956 2.634 -1.596 1.00 1.23 H new ATOM 0 HB2 ASP A 55 21.614 1.263 0.877 1.00 31.11 H new ATOM 0 HB3 ASP A 55 23.062 1.992 0.212 1.00 31.11 H new TER 851 ASP A 55