USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 413 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= -1.33 K(o=-1.3,f=-3!) USER MOD Set 1.2: A 24 THR OG1 : rot 63:sc= 0.0161 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 95:sc= 0.811 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= -3.13 K(o=-3.1,f=-6.4!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0231) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.024) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (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= -0.043 X(o=-0.043,f=-0.19) USER MOD Single : A 41 ASN : amide:sc= 0.172 K(o=0.17,f=1.1) USER MOD Single : A 42 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0435) USER MOD Single : A 44 THR OG1 : rot -169:sc= -0.802 USER MOD Single : A 47 THR OG1 : rot -46:sc= 0.773 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.55 K(o=-1.5,f=-3.5!) USER MOD Single : A 50 ASN : amide:sc= -0.0614 K(o=-0.061,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 4.902 0.069 -1.898 1.00 62.44 N ATOM 12 CA LYS A 2 6.336 0.184 -1.662 1.00 44.20 C ATOM 13 C LYS A 2 6.669 -0.077 -0.197 1.00 21.25 C ATOM 14 O LYS A 2 6.419 0.765 0.667 1.00 71.55 O ATOM 15 CB LYS A 2 6.831 1.574 -2.068 1.00 55.50 C ATOM 16 CG LYS A 2 7.738 1.566 -3.286 1.00 74.23 C ATOM 17 CD LYS A 2 9.201 1.672 -2.893 1.00 3.15 C ATOM 18 CE LYS A 2 9.675 3.118 -2.891 1.00 74.43 C ATOM 19 NZ LYS A 2 10.336 3.486 -4.174 1.00 21.33 N ATOM 0 HA LYS A 2 6.840 -0.567 -2.271 1.00 44.20 H new ATOM 0 HB2 LYS A 2 5.971 2.212 -2.271 1.00 55.50 H new ATOM 0 HB3 LYS A 2 7.367 2.019 -1.229 1.00 55.50 H new ATOM 0 HG2 LYS A 2 7.578 0.649 -3.853 1.00 74.23 H new ATOM 0 HG3 LYS A 2 7.475 2.396 -3.942 1.00 74.23 H new ATOM 0 HD2 LYS A 2 9.345 1.240 -1.903 1.00 3.15 H new ATOM 0 HD3 LYS A 2 9.808 1.090 -3.586 1.00 3.15 H new ATOM 0 HE2 LYS A 2 8.826 3.779 -2.717 1.00 74.43 H new ATOM 0 HE3 LYS A 2 10.371 3.271 -2.067 1.00 74.43 H new ATOM 0 HZ1 LYS A 2 10.645 4.478 -4.133 1.00 21.33 H new ATOM 0 HZ2 LYS A 2 11.162 2.873 -4.328 1.00 21.33 H new ATOM 0 HZ3 LYS A 2 9.664 3.364 -4.958 1.00 21.33 H new ATOM 33 N TYR A 3 7.235 -1.247 0.077 1.00 21.31 N ATOM 34 CA TYR A 3 7.601 -1.619 1.439 1.00 63.45 C ATOM 35 C TYR A 3 8.979 -1.073 1.801 1.00 14.40 C ATOM 36 O TYR A 3 9.921 -1.154 1.012 1.00 74.51 O ATOM 37 CB TYR A 3 7.587 -3.141 1.595 1.00 10.01 C ATOM 38 CG TYR A 3 6.206 -3.747 1.491 1.00 71.53 C ATOM 39 CD1 TYR A 3 5.805 -4.417 0.341 1.00 52.52 C ATOM 40 CD2 TYR A 3 5.302 -3.651 2.541 1.00 12.22 C ATOM 41 CE1 TYR A 3 4.544 -4.972 0.240 1.00 13.35 C ATOM 42 CE2 TYR A 3 4.039 -4.204 2.450 1.00 23.13 C ATOM 43 CZ TYR A 3 3.665 -4.863 1.298 1.00 71.30 C ATOM 44 OH TYR A 3 2.408 -5.415 1.203 1.00 53.40 O ATOM 0 H TYR A 3 7.450 -1.954 -0.626 1.00 21.31 H new ATOM 0 HA TYR A 3 6.867 -1.183 2.117 1.00 63.45 H new ATOM 0 HB2 TYR A 3 8.227 -3.582 0.831 1.00 10.01 H new ATOM 0 HB3 TYR A 3 8.018 -3.403 2.561 1.00 10.01 H new ATOM 0 HD1 TYR A 3 6.491 -4.505 -0.488 1.00 52.52 H new ATOM 0 HD2 TYR A 3 5.591 -3.135 3.445 1.00 12.22 H new ATOM 0 HE1 TYR A 3 4.248 -5.488 -0.661 1.00 13.35 H new ATOM 0 HE2 TYR A 3 3.349 -4.121 3.276 1.00 23.13 H new ATOM 0 HH TYR A 3 2.412 -6.309 1.604 1.00 53.40 H new ATOM 54 N THR A 4 9.089 -0.514 3.002 1.00 30.15 N ATOM 55 CA THR A 4 10.350 0.047 3.472 1.00 55.25 C ATOM 56 C THR A 4 11.014 -0.870 4.491 1.00 24.42 C ATOM 57 O THR A 4 10.383 -1.307 5.453 1.00 41.24 O ATOM 58 CB THR A 4 10.145 1.436 4.105 1.00 51.54 C ATOM 59 OG1 THR A 4 9.441 2.290 3.196 1.00 41.24 O ATOM 60 CG2 THR A 4 11.480 2.067 4.470 1.00 63.14 C ATOM 0 H THR A 4 8.320 -0.438 3.667 1.00 30.15 H new ATOM 0 HA THR A 4 10.997 0.145 2.600 1.00 55.25 H new ATOM 0 HB THR A 4 9.558 1.313 5.015 1.00 51.54 H new ATOM 0 HG1 THR A 4 9.313 3.171 3.607 1.00 41.24 H new ATOM 0 HG21 THR A 4 11.310 3.047 4.915 1.00 63.14 H new ATOM 0 HG22 THR A 4 12.001 1.429 5.185 1.00 63.14 H new ATOM 0 HG23 THR A 4 12.088 2.177 3.572 1.00 63.14 H new ATOM 68 N GLY A 5 12.294 -1.159 4.275 1.00 62.11 N ATOM 69 CA GLY A 5 13.024 -2.023 5.184 1.00 34.35 C ATOM 70 C GLY A 5 14.518 -1.773 5.149 1.00 2.31 C ATOM 71 O GLY A 5 14.967 -0.703 4.737 1.00 53.30 O ATOM 0 H GLY A 5 12.838 -0.810 3.486 1.00 62.11 H new ATOM 0 HA2 GLY A 5 12.657 -1.870 6.199 1.00 34.35 H new ATOM 0 HA3 GLY A 5 12.827 -3.064 4.927 1.00 34.35 H new ATOM 75 N LYS A 6 15.293 -2.761 5.584 1.00 74.03 N ATOM 76 CA LYS A 6 16.746 -2.644 5.601 1.00 11.10 C ATOM 77 C LYS A 6 17.403 -3.969 5.227 1.00 51.45 C ATOM 78 O LYS A 6 16.791 -5.031 5.342 1.00 63.14 O ATOM 79 CB LYS A 6 17.226 -2.197 6.984 1.00 73.51 C ATOM 80 CG LYS A 6 16.371 -1.103 7.600 1.00 25.11 C ATOM 81 CD LYS A 6 15.248 -1.681 8.444 1.00 73.33 C ATOM 82 CE LYS A 6 14.814 -0.713 9.533 1.00 11.05 C ATOM 83 NZ LYS A 6 14.751 -1.371 10.868 1.00 74.54 N ATOM 0 H LYS A 6 14.938 -3.653 5.930 1.00 74.03 H new ATOM 0 HA LYS A 6 17.034 -1.895 4.863 1.00 11.10 H new ATOM 0 HB2 LYS A 6 17.236 -3.058 7.652 1.00 73.51 H new ATOM 0 HB3 LYS A 6 18.254 -1.843 6.906 1.00 73.51 H new ATOM 0 HG2 LYS A 6 16.995 -0.456 8.217 1.00 25.11 H new ATOM 0 HG3 LYS A 6 15.950 -0.481 6.810 1.00 25.11 H new ATOM 0 HD2 LYS A 6 14.397 -1.918 7.806 1.00 73.33 H new ATOM 0 HD3 LYS A 6 15.576 -2.616 8.897 1.00 73.33 H new ATOM 0 HE2 LYS A 6 15.511 0.124 9.573 1.00 11.05 H new ATOM 0 HE3 LYS A 6 13.836 -0.302 9.284 1.00 11.05 H new ATOM 0 HZ1 LYS A 6 14.451 -0.678 11.583 1.00 74.54 H new ATOM 0 HZ2 LYS A 6 14.067 -2.154 10.837 1.00 74.54 H new ATOM 0 HZ3 LYS A 6 15.690 -1.741 11.117 1.00 74.54 H new ATOM 97 N CYS A 7 18.652 -3.899 4.779 1.00 2.53 N ATOM 98 CA CYS A 7 19.393 -5.092 4.389 1.00 43.21 C ATOM 99 C CYS A 7 20.586 -5.318 5.313 1.00 2.12 C ATOM 100 O CYS A 7 20.702 -4.685 6.363 1.00 32.03 O ATOM 101 CB CYS A 7 19.872 -4.969 2.941 1.00 70.31 C ATOM 102 SG CYS A 7 19.016 -3.678 1.982 1.00 65.33 S ATOM 0 H CYS A 7 19.172 -3.028 4.677 1.00 2.53 H new ATOM 0 HA CYS A 7 18.724 -5.948 4.472 1.00 43.21 H new ATOM 0 HB2 CYS A 7 20.941 -4.758 2.940 1.00 70.31 H new ATOM 0 HB3 CYS A 7 19.736 -5.928 2.442 1.00 70.31 H new ATOM 107 N THR A 8 21.473 -6.225 4.915 1.00 33.20 N ATOM 108 CA THR A 8 22.656 -6.536 5.707 1.00 62.23 C ATOM 109 C THR A 8 23.894 -6.647 4.824 1.00 4.44 C ATOM 110 O THR A 8 23.910 -7.398 3.849 1.00 31.02 O ATOM 111 CB THR A 8 22.479 -7.851 6.490 1.00 52.23 C ATOM 112 OG1 THR A 8 21.095 -8.218 6.523 1.00 63.42 O ATOM 113 CG2 THR A 8 23.006 -7.710 7.910 1.00 55.01 C ATOM 0 H THR A 8 21.394 -6.757 4.048 1.00 33.20 H new ATOM 0 HA THR A 8 22.788 -5.716 6.413 1.00 62.23 H new ATOM 0 HB THR A 8 23.049 -8.630 5.984 1.00 52.23 H new ATOM 0 HG1 THR A 8 20.990 -9.056 7.021 1.00 63.42 H new ATOM 0 HG21 THR A 8 22.870 -8.651 8.444 1.00 55.01 H new ATOM 0 HG22 THR A 8 24.066 -7.459 7.881 1.00 55.01 H new ATOM 0 HG23 THR A 8 22.460 -6.919 8.424 1.00 55.01 H new ATOM 121 N LYS A 9 24.932 -5.894 5.173 1.00 44.23 N ATOM 122 CA LYS A 9 26.177 -5.908 4.414 1.00 64.01 C ATOM 123 C LYS A 9 26.791 -7.305 4.401 1.00 52.50 C ATOM 124 O LYS A 9 27.654 -7.606 3.576 1.00 34.24 O ATOM 125 CB LYS A 9 27.172 -4.908 5.008 1.00 40.03 C ATOM 126 CG LYS A 9 27.329 -5.027 6.514 1.00 74.32 C ATOM 127 CD LYS A 9 28.791 -5.003 6.926 1.00 11.11 C ATOM 128 CE LYS A 9 29.259 -3.589 7.235 1.00 24.21 C ATOM 129 NZ LYS A 9 30.614 -3.320 6.678 1.00 52.51 N ATOM 0 H LYS A 9 24.936 -5.266 5.977 1.00 44.23 H new ATOM 0 HA LYS A 9 25.950 -5.620 3.387 1.00 64.01 H new ATOM 0 HB2 LYS A 9 28.144 -5.053 4.537 1.00 40.03 H new ATOM 0 HB3 LYS A 9 26.847 -3.897 4.764 1.00 40.03 H new ATOM 0 HG2 LYS A 9 26.799 -4.209 7.002 1.00 74.32 H new ATOM 0 HG3 LYS A 9 26.869 -5.954 6.857 1.00 74.32 H new ATOM 0 HD2 LYS A 9 28.934 -5.635 7.803 1.00 11.11 H new ATOM 0 HD3 LYS A 9 29.402 -5.424 6.128 1.00 11.11 H new ATOM 0 HE2 LYS A 9 28.548 -2.873 6.823 1.00 24.21 H new ATOM 0 HE3 LYS A 9 29.273 -3.439 8.315 1.00 24.21 H new ATOM 0 HZ1 LYS A 9 30.898 -2.347 6.910 1.00 52.51 H new ATOM 0 HZ2 LYS A 9 31.297 -3.987 7.090 1.00 52.51 H new ATOM 0 HZ3 LYS A 9 30.594 -3.438 5.645 1.00 52.51 H new ATOM 143 N SER A 10 26.339 -8.153 5.319 1.00 71.01 N ATOM 144 CA SER A 10 26.845 -9.517 5.414 1.00 23.11 C ATOM 145 C SER A 10 26.898 -10.175 4.038 1.00 15.53 C ATOM 146 O SER A 10 27.955 -10.617 3.588 1.00 53.53 O ATOM 147 CB SER A 10 25.967 -10.345 6.354 1.00 24.15 C ATOM 148 OG SER A 10 26.745 -11.265 7.101 1.00 44.04 O ATOM 0 H SER A 10 25.623 -7.920 6.007 1.00 71.01 H new ATOM 0 HA SER A 10 27.857 -9.475 5.816 1.00 23.11 H new ATOM 0 HB2 SER A 10 25.430 -9.682 7.033 1.00 24.15 H new ATOM 0 HB3 SER A 10 25.217 -10.884 5.775 1.00 24.15 H new ATOM 0 HG SER A 10 26.161 -11.781 7.695 1.00 44.04 H new ATOM 154 N LYS A 11 25.748 -10.236 3.375 1.00 50.42 N ATOM 155 CA LYS A 11 25.660 -10.837 2.050 1.00 71.24 C ATOM 156 C LYS A 11 24.534 -10.204 1.238 1.00 1.13 C ATOM 157 O LYS A 11 24.046 -10.791 0.274 1.00 40.45 O ATOM 158 CB LYS A 11 25.432 -12.346 2.166 1.00 25.11 C ATOM 159 CG LYS A 11 26.502 -13.177 1.478 1.00 34.22 C ATOM 160 CD LYS A 11 26.182 -13.391 0.008 1.00 33.12 C ATOM 161 CE LYS A 11 27.371 -13.971 -0.742 1.00 51.34 C ATOM 162 NZ LYS A 11 28.371 -12.924 -1.090 1.00 41.32 N ATOM 0 H LYS A 11 24.864 -9.876 3.734 1.00 50.42 H new ATOM 0 HA LYS A 11 26.603 -10.656 1.534 1.00 71.24 H new ATOM 0 HB2 LYS A 11 25.394 -12.619 3.220 1.00 25.11 H new ATOM 0 HB3 LYS A 11 24.461 -12.592 1.737 1.00 25.11 H new ATOM 0 HG2 LYS A 11 27.467 -12.679 1.573 1.00 34.22 H new ATOM 0 HG3 LYS A 11 26.591 -14.142 1.976 1.00 34.22 H new ATOM 0 HD2 LYS A 11 25.329 -14.062 -0.086 1.00 33.12 H new ATOM 0 HD3 LYS A 11 25.893 -12.442 -0.444 1.00 33.12 H new ATOM 0 HE2 LYS A 11 27.846 -14.739 -0.131 1.00 51.34 H new ATOM 0 HE3 LYS A 11 27.023 -14.458 -1.653 1.00 51.34 H new ATOM 0 HZ1 LYS A 11 29.166 -13.359 -1.600 1.00 41.32 H new ATOM 0 HZ2 LYS A 11 27.924 -12.204 -1.694 1.00 41.32 H new ATOM 0 HZ3 LYS A 11 28.722 -12.476 -0.219 1.00 41.32 H new ATOM 176 N ASN A 12 24.128 -9.002 1.636 1.00 71.43 N ATOM 177 CA ASN A 12 23.060 -8.289 0.944 1.00 20.33 C ATOM 178 C ASN A 12 21.744 -9.055 1.040 1.00 71.24 C ATOM 179 O ASN A 12 21.593 -10.124 0.449 1.00 51.12 O ATOM 180 CB ASN A 12 23.431 -8.072 -0.524 1.00 2.41 C ATOM 181 CG ASN A 12 22.235 -8.197 -1.447 1.00 70.35 C ATOM 182 OD1 ASN A 12 21.955 -9.273 -1.976 1.00 62.41 O ATOM 183 ND2 ASN A 12 21.523 -7.094 -1.646 1.00 74.31 N ATOM 0 H ASN A 12 24.522 -8.502 2.433 1.00 71.43 H new ATOM 0 HA ASN A 12 22.932 -7.320 1.426 1.00 20.33 H new ATOM 0 HB2 ASN A 12 23.875 -7.084 -0.641 1.00 2.41 H new ATOM 0 HB3 ASN A 12 24.189 -8.799 -0.816 1.00 2.41 H new ATOM 0 HD21 ASN A 12 20.707 -7.117 -2.258 1.00 74.31 H new ATOM 0 HD22 ASN A 12 21.792 -6.224 -1.187 1.00 74.31 H new ATOM 190 N GLU A 13 20.795 -8.500 1.787 1.00 40.21 N ATOM 191 CA GLU A 13 19.492 -9.131 1.959 1.00 30.21 C ATOM 192 C GLU A 13 18.465 -8.128 2.476 1.00 3.24 C ATOM 193 O GLU A 13 18.231 -8.027 3.681 1.00 2.22 O ATOM 194 CB GLU A 13 19.597 -10.314 2.925 1.00 41.43 C ATOM 195 CG GLU A 13 19.243 -11.649 2.292 1.00 24.13 C ATOM 196 CD GLU A 13 19.788 -12.828 3.075 1.00 2.13 C ATOM 197 OE1 GLU A 13 20.165 -13.837 2.442 1.00 12.43 O ATOM 198 OE2 GLU A 13 19.838 -12.742 4.320 1.00 72.20 O ATOM 0 H GLU A 13 20.904 -7.615 2.282 1.00 40.21 H new ATOM 0 HA GLU A 13 19.162 -9.494 0.986 1.00 30.21 H new ATOM 0 HB2 GLU A 13 20.613 -10.365 3.315 1.00 41.43 H new ATOM 0 HB3 GLU A 13 18.938 -10.138 3.775 1.00 41.43 H new ATOM 0 HG2 GLU A 13 18.159 -11.736 2.219 1.00 24.13 H new ATOM 0 HG3 GLU A 13 19.635 -11.680 1.275 1.00 24.13 H new ATOM 205 N CYS A 14 17.856 -7.387 1.557 1.00 13.21 N ATOM 206 CA CYS A 14 16.855 -6.390 1.918 1.00 31.10 C ATOM 207 C CYS A 14 15.607 -7.055 2.491 1.00 32.22 C ATOM 208 O CYS A 14 14.911 -7.798 1.798 1.00 40.30 O ATOM 209 CB CYS A 14 16.482 -5.546 0.697 1.00 33.55 C ATOM 210 SG CYS A 14 15.366 -4.155 1.068 1.00 35.33 S ATOM 0 H CYS A 14 18.038 -7.458 0.556 1.00 13.21 H new ATOM 0 HA CYS A 14 17.283 -5.742 2.682 1.00 31.10 H new ATOM 0 HB2 CYS A 14 17.394 -5.156 0.246 1.00 33.55 H new ATOM 0 HB3 CYS A 14 16.009 -6.189 -0.045 1.00 33.55 H new ATOM 215 N LYS A 15 15.329 -6.784 3.762 1.00 40.52 N ATOM 216 CA LYS A 15 14.165 -7.353 4.430 1.00 73.13 C ATOM 217 C LYS A 15 12.950 -6.444 4.274 1.00 34.13 C ATOM 218 O LYS A 15 13.082 -5.223 4.194 1.00 43.32 O ATOM 219 CB LYS A 15 14.461 -7.576 5.914 1.00 23.53 C ATOM 220 CG LYS A 15 13.450 -8.472 6.608 1.00 21.44 C ATOM 221 CD LYS A 15 12.288 -7.671 7.170 1.00 11.22 C ATOM 222 CE LYS A 15 12.463 -7.403 8.657 1.00 35.33 C ATOM 223 NZ LYS A 15 11.806 -8.449 9.490 1.00 64.22 N ATOM 0 H LYS A 15 15.895 -6.173 4.351 1.00 40.52 H new ATOM 0 HA LYS A 15 13.942 -8.312 3.963 1.00 73.13 H new ATOM 0 HB2 LYS A 15 15.453 -8.015 6.016 1.00 23.53 H new ATOM 0 HB3 LYS A 15 14.486 -6.611 6.420 1.00 23.53 H new ATOM 0 HG2 LYS A 15 13.075 -9.213 5.902 1.00 21.44 H new ATOM 0 HG3 LYS A 15 13.940 -9.019 7.414 1.00 21.44 H new ATOM 0 HD2 LYS A 15 12.205 -6.724 6.636 1.00 11.22 H new ATOM 0 HD3 LYS A 15 11.357 -8.213 7.004 1.00 11.22 H new ATOM 0 HE2 LYS A 15 13.526 -7.363 8.896 1.00 35.33 H new ATOM 0 HE3 LYS A 15 12.044 -6.427 8.902 1.00 35.33 H new ATOM 0 HZ1 LYS A 15 11.948 -8.231 10.497 1.00 64.22 H new ATOM 0 HZ2 LYS A 15 10.788 -8.471 9.280 1.00 64.22 H new ATOM 0 HZ3 LYS A 15 12.223 -9.377 9.275 1.00 64.22 H new ATOM 237 N TYR A 16 11.767 -7.047 4.234 1.00 32.34 N ATOM 238 CA TYR A 16 10.528 -6.292 4.088 1.00 43.11 C ATOM 239 C TYR A 16 9.319 -7.157 4.430 1.00 0.35 C ATOM 240 O TYR A 16 9.461 -8.290 4.891 1.00 51.31 O ATOM 241 CB TYR A 16 10.399 -5.756 2.661 1.00 74.50 C ATOM 242 CG TYR A 16 9.983 -6.807 1.656 1.00 50.44 C ATOM 243 CD1 TYR A 16 8.696 -6.823 1.131 1.00 65.03 C ATOM 244 CD2 TYR A 16 10.876 -7.783 1.231 1.00 11.34 C ATOM 245 CE1 TYR A 16 8.312 -7.781 0.212 1.00 12.15 C ATOM 246 CE2 TYR A 16 10.501 -8.743 0.313 1.00 75.45 C ATOM 247 CZ TYR A 16 9.218 -8.739 -0.194 1.00 15.52 C ATOM 248 OH TYR A 16 8.839 -9.695 -1.108 1.00 43.33 O ATOM 0 H TYR A 16 11.640 -8.057 4.301 1.00 32.34 H new ATOM 0 HA TYR A 16 10.559 -5.453 4.783 1.00 43.11 H new ATOM 0 HB2 TYR A 16 9.670 -4.946 2.650 1.00 74.50 H new ATOM 0 HB3 TYR A 16 11.354 -5.329 2.354 1.00 74.50 H new ATOM 0 HD1 TYR A 16 7.984 -6.074 1.447 1.00 65.03 H new ATOM 0 HD2 TYR A 16 11.881 -7.791 1.626 1.00 11.34 H new ATOM 0 HE1 TYR A 16 7.308 -7.780 -0.186 1.00 12.15 H new ATOM 0 HE2 TYR A 16 11.209 -9.494 -0.007 1.00 75.45 H new ATOM 0 HH TYR A 16 9.594 -10.293 -1.288 1.00 43.33 H new ATOM 258 N LYS A 17 8.128 -6.614 4.202 1.00 40.14 N ATOM 259 CA LYS A 17 6.892 -7.334 4.483 1.00 53.10 C ATOM 260 C LYS A 17 6.010 -7.408 3.240 1.00 3.13 C ATOM 261 O LYS A 17 5.962 -6.470 2.446 1.00 70.03 O ATOM 262 CB LYS A 17 6.129 -6.654 5.622 1.00 2.33 C ATOM 263 CG LYS A 17 5.870 -5.176 5.384 1.00 72.34 C ATOM 264 CD LYS A 17 5.550 -4.450 6.679 1.00 3.33 C ATOM 265 CE LYS A 17 6.693 -3.541 7.105 1.00 41.30 C ATOM 266 NZ LYS A 17 7.685 -4.257 7.955 1.00 55.15 N ATOM 0 H LYS A 17 7.993 -5.677 3.823 1.00 40.14 H new ATOM 0 HA LYS A 17 7.153 -8.349 4.783 1.00 53.10 H new ATOM 0 HB2 LYS A 17 5.176 -7.163 5.764 1.00 2.33 H new ATOM 0 HB3 LYS A 17 6.694 -6.771 6.547 1.00 2.33 H new ATOM 0 HG2 LYS A 17 6.745 -4.723 4.919 1.00 72.34 H new ATOM 0 HG3 LYS A 17 5.041 -5.059 4.686 1.00 72.34 H new ATOM 0 HD2 LYS A 17 4.642 -3.860 6.552 1.00 3.33 H new ATOM 0 HD3 LYS A 17 5.350 -5.178 7.465 1.00 3.33 H new ATOM 0 HE2 LYS A 17 7.192 -3.146 6.220 1.00 41.30 H new ATOM 0 HE3 LYS A 17 6.293 -2.688 7.654 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 8.448 -3.603 8.224 1.00 55.15 H new ATOM 0 HZ2 LYS A 17 7.215 -4.613 8.812 1.00 55.15 H new ATOM 0 HZ3 LYS A 17 8.086 -5.056 7.423 1.00 55.15 H new ATOM 280 N ASN A 18 5.314 -8.528 3.080 1.00 32.52 N ATOM 281 CA ASN A 18 4.433 -8.724 1.934 1.00 10.14 C ATOM 282 C ASN A 18 2.995 -8.957 2.387 1.00 12.51 C ATOM 283 O ASN A 18 2.146 -8.072 2.272 1.00 70.35 O ATOM 284 CB ASN A 18 4.912 -9.908 1.092 1.00 23.04 C ATOM 285 CG ASN A 18 5.937 -10.757 1.819 1.00 20.24 C ATOM 286 OD1 ASN A 18 7.106 -10.384 1.926 1.00 75.52 O ATOM 287 ND2 ASN A 18 5.502 -11.906 2.324 1.00 63.11 N ATOM 0 H ASN A 18 5.343 -9.314 3.729 1.00 32.52 H new ATOM 0 HA ASN A 18 4.462 -7.819 1.326 1.00 10.14 H new ATOM 0 HB2 ASN A 18 4.057 -10.528 0.822 1.00 23.04 H new ATOM 0 HB3 ASN A 18 5.344 -9.538 0.162 1.00 23.04 H new ATOM 0 HD21 ASN A 18 6.145 -12.519 2.824 1.00 63.11 H new ATOM 0 HD22 ASN A 18 4.525 -12.175 2.211 1.00 63.11 H new ATOM 294 N ASP A 19 2.729 -10.151 2.903 1.00 31.42 N ATOM 295 CA ASP A 19 1.394 -10.501 3.375 1.00 1.53 C ATOM 296 C ASP A 19 0.918 -9.515 4.438 1.00 43.42 C ATOM 297 O ASP A 19 0.075 -8.659 4.171 1.00 33.25 O ATOM 298 CB ASP A 19 1.385 -11.922 3.940 1.00 2.23 C ATOM 299 CG ASP A 19 1.401 -12.977 2.852 1.00 24.42 C ATOM 300 OD1 ASP A 19 0.319 -13.292 2.314 1.00 20.33 O ATOM 301 OD2 ASP A 19 2.497 -13.488 2.538 1.00 74.11 O ATOM 0 H ASP A 19 3.420 -10.894 3.005 1.00 31.42 H new ATOM 0 HA ASP A 19 0.711 -10.452 2.527 1.00 1.53 H new ATOM 0 HB2 ASP A 19 2.252 -12.058 4.587 1.00 2.23 H new ATOM 0 HB3 ASP A 19 0.499 -12.058 4.561 1.00 2.23 H new ATOM 306 N ALA A 20 1.465 -9.642 5.643 1.00 53.44 N ATOM 307 CA ALA A 20 1.097 -8.762 6.745 1.00 50.52 C ATOM 308 C ALA A 20 2.144 -8.802 7.853 1.00 60.24 C ATOM 309 O ALA A 20 1.824 -9.054 9.014 1.00 62.25 O ATOM 310 CB ALA A 20 -0.270 -9.145 7.293 1.00 25.11 C ATOM 0 H ALA A 20 2.164 -10.346 5.880 1.00 53.44 H new ATOM 0 HA ALA A 20 1.050 -7.742 6.363 1.00 50.52 H new ATOM 0 HB1 ALA A 20 -0.532 -8.479 8.115 1.00 25.11 H new ATOM 0 HB2 ALA A 20 -1.016 -9.057 6.503 1.00 25.11 H new ATOM 0 HB3 ALA A 20 -0.242 -10.173 7.653 1.00 25.11 H new ATOM 316 N GLY A 21 3.398 -8.553 7.486 1.00 55.14 N ATOM 317 CA GLY A 21 4.473 -8.567 8.460 1.00 14.03 C ATOM 318 C GLY A 21 5.437 -9.716 8.244 1.00 72.45 C ATOM 319 O GLY A 21 6.504 -9.765 8.855 1.00 23.40 O ATOM 0 H GLY A 21 3.688 -8.342 6.531 1.00 55.14 H new ATOM 0 HA2 GLY A 21 5.018 -7.625 8.408 1.00 14.03 H new ATOM 0 HA3 GLY A 21 4.050 -8.635 9.462 1.00 14.03 H new ATOM 323 N LYS A 22 5.061 -10.646 7.372 1.00 54.45 N ATOM 324 CA LYS A 22 5.899 -11.801 7.075 1.00 74.31 C ATOM 325 C LYS A 22 7.312 -11.367 6.700 1.00 52.34 C ATOM 326 O LYS A 22 7.546 -10.868 5.599 1.00 40.42 O ATOM 327 CB LYS A 22 5.287 -12.622 5.937 1.00 20.23 C ATOM 328 CG LYS A 22 4.000 -13.330 6.322 1.00 34.22 C ATOM 329 CD LYS A 22 4.257 -14.461 7.303 1.00 21.53 C ATOM 330 CE LYS A 22 3.768 -14.110 8.700 1.00 72.20 C ATOM 331 NZ LYS A 22 3.398 -15.324 9.480 1.00 50.13 N ATOM 0 H LYS A 22 4.180 -10.622 6.858 1.00 54.45 H new ATOM 0 HA LYS A 22 5.954 -12.418 7.972 1.00 74.31 H new ATOM 0 HB2 LYS A 22 5.091 -11.964 5.090 1.00 20.23 H new ATOM 0 HB3 LYS A 22 6.014 -13.363 5.603 1.00 20.23 H new ATOM 0 HG2 LYS A 22 3.308 -12.613 6.765 1.00 34.22 H new ATOM 0 HG3 LYS A 22 3.520 -13.726 5.427 1.00 34.22 H new ATOM 0 HD2 LYS A 22 3.755 -15.365 6.957 1.00 21.53 H new ATOM 0 HD3 LYS A 22 5.324 -14.681 7.335 1.00 21.53 H new ATOM 0 HE2 LYS A 22 4.547 -13.561 9.230 1.00 72.20 H new ATOM 0 HE3 LYS A 22 2.905 -13.448 8.627 1.00 72.20 H new ATOM 0 HZ1 LYS A 22 3.070 -15.042 10.426 1.00 50.13 H new ATOM 0 HZ2 LYS A 22 2.637 -15.835 8.988 1.00 50.13 H new ATOM 0 HZ3 LYS A 22 4.228 -15.944 9.572 1.00 50.13 H new ATOM 345 N ASP A 23 8.250 -11.561 7.620 1.00 15.32 N ATOM 346 CA ASP A 23 9.640 -11.191 7.385 1.00 64.04 C ATOM 347 C ASP A 23 10.180 -11.875 6.133 1.00 70.54 C ATOM 348 O ASP A 23 10.556 -13.048 6.165 1.00 13.11 O ATOM 349 CB ASP A 23 10.501 -11.561 8.594 1.00 14.10 C ATOM 350 CG ASP A 23 10.301 -13.000 9.028 1.00 13.54 C ATOM 351 OD1 ASP A 23 11.204 -13.826 8.780 1.00 1.44 O ATOM 352 OD2 ASP A 23 9.241 -13.299 9.617 1.00 22.32 O ATOM 0 H ASP A 23 8.073 -11.973 8.536 1.00 15.32 H new ATOM 0 HA ASP A 23 9.682 -10.112 7.235 1.00 64.04 H new ATOM 0 HB2 ASP A 23 11.551 -11.400 8.351 1.00 14.10 H new ATOM 0 HB3 ASP A 23 10.261 -10.897 9.424 1.00 14.10 H new ATOM 357 N THR A 24 10.215 -11.136 5.028 1.00 11.13 N ATOM 358 CA THR A 24 10.706 -11.672 3.765 1.00 0.50 C ATOM 359 C THR A 24 11.954 -10.929 3.301 1.00 72.00 C ATOM 360 O THR A 24 11.932 -9.711 3.120 1.00 65.45 O ATOM 361 CB THR A 24 9.633 -11.586 2.664 1.00 75.44 C ATOM 362 OG1 THR A 24 8.468 -12.320 3.057 1.00 34.32 O ATOM 363 CG2 THR A 24 10.163 -12.135 1.348 1.00 51.15 C ATOM 0 H THR A 24 9.909 -10.164 4.983 1.00 11.13 H new ATOM 0 HA THR A 24 10.953 -12.719 3.940 1.00 0.50 H new ATOM 0 HB THR A 24 9.372 -10.537 2.524 1.00 75.44 H new ATOM 0 HG1 THR A 24 8.086 -11.919 3.865 1.00 34.32 H new ATOM 0 HG21 THR A 24 9.387 -12.064 0.585 1.00 51.15 H new ATOM 0 HG22 THR A 24 11.033 -11.556 1.036 1.00 51.15 H new ATOM 0 HG23 THR A 24 10.449 -13.179 1.478 1.00 51.15 H new ATOM 371 N PHE A 25 13.041 -11.670 3.110 1.00 54.42 N ATOM 372 CA PHE A 25 14.299 -11.081 2.667 1.00 52.44 C ATOM 373 C PHE A 25 14.478 -11.250 1.161 1.00 50.32 C ATOM 374 O PHE A 25 14.159 -12.299 0.601 1.00 25.32 O ATOM 375 CB PHE A 25 15.475 -11.721 3.407 1.00 71.34 C ATOM 376 CG PHE A 25 15.421 -11.532 4.896 1.00 41.14 C ATOM 377 CD1 PHE A 25 14.612 -12.337 5.681 1.00 62.30 C ATOM 378 CD2 PHE A 25 16.179 -10.548 5.510 1.00 60.01 C ATOM 379 CE1 PHE A 25 14.561 -12.166 7.052 1.00 54.04 C ATOM 380 CE2 PHE A 25 16.132 -10.372 6.880 1.00 71.30 C ATOM 381 CZ PHE A 25 15.321 -11.181 7.652 1.00 72.44 C ATOM 0 H PHE A 25 13.076 -12.679 3.255 1.00 54.42 H new ATOM 0 HA PHE A 25 14.272 -10.015 2.895 1.00 52.44 H new ATOM 0 HB2 PHE A 25 15.496 -12.788 3.185 1.00 71.34 H new ATOM 0 HB3 PHE A 25 16.406 -11.298 3.029 1.00 71.34 H new ATOM 0 HD1 PHE A 25 14.014 -13.107 5.217 1.00 62.30 H new ATOM 0 HD2 PHE A 25 16.814 -9.911 4.911 1.00 60.01 H new ATOM 0 HE1 PHE A 25 13.928 -12.802 7.653 1.00 54.04 H new ATOM 0 HE2 PHE A 25 16.729 -9.602 7.347 1.00 71.30 H new ATOM 0 HZ PHE A 25 15.281 -11.044 8.722 1.00 72.44 H new ATOM 391 N ILE A 26 14.989 -10.209 0.511 1.00 31.24 N ATOM 392 CA ILE A 26 15.211 -10.242 -0.929 1.00 31.21 C ATOM 393 C ILE A 26 16.476 -9.480 -1.308 1.00 1.03 C ATOM 394 O ILE A 26 16.632 -8.306 -0.970 1.00 21.31 O ATOM 395 CB ILE A 26 14.016 -9.646 -1.696 1.00 44.44 C ATOM 396 CG1 ILE A 26 14.281 -9.682 -3.203 1.00 74.30 C ATOM 397 CG2 ILE A 26 13.748 -8.221 -1.235 1.00 4.13 C ATOM 398 CD1 ILE A 26 14.502 -11.078 -3.744 1.00 14.51 C ATOM 0 H ILE A 26 15.257 -9.333 0.959 1.00 31.24 H new ATOM 0 HA ILE A 26 15.325 -11.290 -1.207 1.00 31.21 H new ATOM 0 HB ILE A 26 13.132 -10.248 -1.486 1.00 44.44 H new ATOM 0 HG12 ILE A 26 13.437 -9.229 -3.723 1.00 74.30 H new ATOM 0 HG13 ILE A 26 15.157 -9.072 -3.425 1.00 74.30 H new ATOM 0 HG21 ILE A 26 12.901 -7.814 -1.786 1.00 4.13 H new ATOM 0 HG22 ILE A 26 13.522 -8.220 -0.169 1.00 4.13 H new ATOM 0 HG23 ILE A 26 14.630 -7.607 -1.419 1.00 4.13 H new ATOM 0 HD11 ILE A 26 14.684 -11.028 -4.818 1.00 14.51 H new ATOM 0 HD12 ILE A 26 15.364 -11.527 -3.251 1.00 14.51 H new ATOM 0 HD13 ILE A 26 13.618 -11.686 -3.554 1.00 14.51 H new ATOM 410 N LYS A 27 17.378 -10.154 -2.013 1.00 74.43 N ATOM 411 CA LYS A 27 18.629 -9.541 -2.442 1.00 60.33 C ATOM 412 C LYS A 27 18.365 -8.325 -3.324 1.00 72.01 C ATOM 413 O LYS A 27 17.224 -7.883 -3.464 1.00 61.12 O ATOM 414 CB LYS A 27 19.485 -10.558 -3.201 1.00 23.04 C ATOM 415 CG LYS A 27 19.786 -11.815 -2.403 1.00 60.21 C ATOM 416 CD LYS A 27 19.011 -13.010 -2.932 1.00 71.14 C ATOM 417 CE LYS A 27 19.661 -13.588 -4.180 1.00 50.22 C ATOM 418 NZ LYS A 27 20.869 -14.395 -3.853 1.00 72.23 N ATOM 0 H LYS A 27 17.266 -11.126 -2.300 1.00 74.43 H new ATOM 0 HA LYS A 27 19.167 -9.213 -1.553 1.00 60.33 H new ATOM 0 HB2 LYS A 27 18.973 -10.836 -4.122 1.00 23.04 H new ATOM 0 HB3 LYS A 27 20.425 -10.087 -3.489 1.00 23.04 H new ATOM 0 HG2 LYS A 27 20.855 -12.026 -2.444 1.00 60.21 H new ATOM 0 HG3 LYS A 27 19.534 -11.651 -1.355 1.00 60.21 H new ATOM 0 HD2 LYS A 27 18.954 -13.778 -2.161 1.00 71.14 H new ATOM 0 HD3 LYS A 27 17.988 -12.710 -3.159 1.00 71.14 H new ATOM 0 HE2 LYS A 27 18.940 -14.211 -4.709 1.00 50.22 H new ATOM 0 HE3 LYS A 27 19.937 -12.777 -4.854 1.00 50.22 H new ATOM 0 HZ1 LYS A 27 21.234 -14.841 -4.719 1.00 72.23 H new ATOM 0 HZ2 LYS A 27 21.600 -13.777 -3.447 1.00 72.23 H new ATOM 0 HZ3 LYS A 27 20.618 -15.132 -3.164 1.00 72.23 H new ATOM 432 N CYS A 28 19.426 -7.789 -3.918 1.00 12.22 N ATOM 433 CA CYS A 28 19.309 -6.624 -4.787 1.00 70.32 C ATOM 434 C CYS A 28 19.531 -7.011 -6.247 1.00 2.44 C ATOM 435 O CYS A 28 20.639 -6.920 -6.777 1.00 55.32 O ATOM 436 CB CYS A 28 20.317 -5.550 -4.373 1.00 55.25 C ATOM 437 SG CYS A 28 20.079 -3.947 -5.207 1.00 31.43 S ATOM 0 H CYS A 28 20.377 -8.143 -3.813 1.00 12.22 H new ATOM 0 HA CYS A 28 18.300 -6.224 -4.685 1.00 70.32 H new ATOM 0 HB2 CYS A 28 20.251 -5.400 -3.295 1.00 55.25 H new ATOM 0 HB3 CYS A 28 21.324 -5.911 -4.583 1.00 55.25 H new ATOM 442 N PRO A 29 18.454 -7.452 -6.912 1.00 72.14 N ATOM 443 CA PRO A 29 18.505 -7.860 -8.319 1.00 71.34 C ATOM 444 C PRO A 29 18.722 -6.679 -9.258 1.00 43.43 C ATOM 445 O PRO A 29 19.099 -6.854 -10.417 1.00 41.02 O ATOM 446 CB PRO A 29 17.128 -8.486 -8.557 1.00 65.24 C ATOM 447 CG PRO A 29 16.241 -7.844 -7.548 1.00 33.20 C ATOM 448 CD PRO A 29 17.102 -7.586 -6.343 1.00 24.30 C ATOM 0 HA PRO A 29 19.336 -8.537 -8.517 1.00 71.34 H new ATOM 0 HB2 PRO A 29 16.777 -8.296 -9.571 1.00 65.24 H new ATOM 0 HB3 PRO A 29 17.157 -9.568 -8.427 1.00 65.24 H new ATOM 0 HG2 PRO A 29 15.821 -6.915 -7.933 1.00 33.20 H new ATOM 0 HG3 PRO A 29 15.402 -8.493 -7.296 1.00 33.20 H new ATOM 0 HD2 PRO A 29 16.796 -6.682 -5.817 1.00 24.30 H new ATOM 0 HD3 PRO A 29 17.047 -8.406 -5.627 1.00 24.30 H new ATOM 456 N LYS A 30 18.483 -5.474 -8.751 1.00 71.10 N ATOM 457 CA LYS A 30 18.654 -4.262 -9.543 1.00 40.01 C ATOM 458 C LYS A 30 20.103 -4.107 -9.995 1.00 33.11 C ATOM 459 O LYS A 30 20.403 -4.182 -11.187 1.00 2.35 O ATOM 460 CB LYS A 30 18.227 -3.035 -8.734 1.00 50.03 C ATOM 461 CG LYS A 30 16.984 -2.351 -9.277 1.00 70.30 C ATOM 462 CD LYS A 30 16.777 -0.986 -8.643 1.00 34.12 C ATOM 463 CE LYS A 30 15.307 -0.596 -8.628 1.00 35.13 C ATOM 464 NZ LYS A 30 14.846 -0.118 -9.961 1.00 34.43 N ATOM 0 H LYS A 30 18.170 -5.311 -7.794 1.00 71.10 H new ATOM 0 HA LYS A 30 18.023 -4.344 -10.428 1.00 40.01 H new ATOM 0 HB2 LYS A 30 18.045 -3.336 -7.702 1.00 50.03 H new ATOM 0 HB3 LYS A 30 19.048 -2.318 -8.717 1.00 50.03 H new ATOM 0 HG2 LYS A 30 17.071 -2.242 -10.358 1.00 70.30 H new ATOM 0 HG3 LYS A 30 16.112 -2.977 -9.089 1.00 70.30 H new ATOM 0 HD2 LYS A 30 17.163 -0.995 -7.624 1.00 34.12 H new ATOM 0 HD3 LYS A 30 17.348 -0.238 -9.193 1.00 34.12 H new ATOM 0 HE2 LYS A 30 14.707 -1.453 -8.322 1.00 35.13 H new ATOM 0 HE3 LYS A 30 15.146 0.186 -7.886 1.00 35.13 H new ATOM 0 HZ1 LYS A 30 13.839 0.138 -9.909 1.00 34.43 H new ATOM 0 HZ2 LYS A 30 15.401 0.715 -10.242 1.00 34.43 H new ATOM 0 HZ3 LYS A 30 14.975 -0.873 -10.664 1.00 34.43 H new ATOM 478 N PHE A 31 20.997 -3.893 -9.036 1.00 1.33 N ATOM 479 CA PHE A 31 22.415 -3.728 -9.335 1.00 73.12 C ATOM 480 C PHE A 31 23.255 -4.744 -8.566 1.00 54.23 C ATOM 481 O PHE A 31 23.325 -4.704 -7.338 1.00 33.52 O ATOM 482 CB PHE A 31 22.869 -2.308 -8.990 1.00 61.34 C ATOM 483 CG PHE A 31 21.733 -1.367 -8.709 1.00 31.12 C ATOM 484 CD1 PHE A 31 21.281 -0.493 -9.685 1.00 24.43 C ATOM 485 CD2 PHE A 31 21.117 -1.356 -7.468 1.00 12.33 C ATOM 486 CE1 PHE A 31 20.236 0.374 -9.429 1.00 71.20 C ATOM 487 CE2 PHE A 31 20.071 -0.491 -7.206 1.00 73.24 C ATOM 488 CZ PHE A 31 19.630 0.375 -8.188 1.00 5.43 C ATOM 0 H PHE A 31 20.765 -3.830 -8.045 1.00 1.33 H new ATOM 0 HA PHE A 31 22.558 -3.898 -10.402 1.00 73.12 H new ATOM 0 HB2 PHE A 31 23.523 -2.346 -8.119 1.00 61.34 H new ATOM 0 HB3 PHE A 31 23.461 -1.914 -9.816 1.00 61.34 H new ATOM 0 HD1 PHE A 31 21.751 -0.490 -10.657 1.00 24.43 H new ATOM 0 HD2 PHE A 31 21.458 -2.031 -6.697 1.00 12.33 H new ATOM 0 HE1 PHE A 31 19.894 1.050 -10.198 1.00 71.20 H new ATOM 0 HE2 PHE A 31 19.599 -0.492 -6.235 1.00 73.24 H new ATOM 0 HZ PHE A 31 18.813 1.052 -7.986 1.00 5.43 H new ATOM 498 N ASP A 32 23.890 -5.652 -9.298 1.00 75.53 N ATOM 499 CA ASP A 32 24.725 -6.679 -8.687 1.00 24.04 C ATOM 500 C ASP A 32 26.044 -6.087 -8.199 1.00 11.31 C ATOM 501 O ASP A 32 26.829 -6.760 -7.533 1.00 0.24 O ATOM 502 CB ASP A 32 24.996 -7.807 -9.683 1.00 64.04 C ATOM 503 CG ASP A 32 25.414 -7.288 -11.045 1.00 72.34 C ATOM 504 OD1 ASP A 32 26.316 -6.426 -11.101 1.00 62.54 O ATOM 505 OD2 ASP A 32 24.839 -7.745 -12.055 1.00 53.33 O ATOM 0 H ASP A 32 23.842 -5.698 -10.316 1.00 75.53 H new ATOM 0 HA ASP A 32 24.189 -7.084 -7.829 1.00 24.04 H new ATOM 0 HB2 ASP A 32 25.778 -8.456 -9.289 1.00 64.04 H new ATOM 0 HB3 ASP A 32 24.099 -8.417 -9.789 1.00 64.04 H new ATOM 510 N ASN A 33 26.280 -4.823 -8.537 1.00 62.30 N ATOM 511 CA ASN A 33 27.505 -4.141 -8.135 1.00 13.41 C ATOM 512 C ASN A 33 27.205 -3.036 -7.127 1.00 4.55 C ATOM 513 O ASN A 33 28.091 -2.587 -6.398 1.00 62.24 O ATOM 514 CB ASN A 33 28.211 -3.553 -9.358 1.00 53.43 C ATOM 515 CG ASN A 33 29.708 -3.423 -9.155 1.00 11.53 C ATOM 516 OD1 ASN A 33 30.277 -2.344 -9.325 1.00 23.34 O ATOM 517 ND2 ASN A 33 30.353 -4.524 -8.789 1.00 60.20 N ATOM 0 H ASN A 33 25.640 -4.251 -9.088 1.00 62.30 H new ATOM 0 HA ASN A 33 28.161 -4.872 -7.662 1.00 13.41 H new ATOM 0 HB2 ASN A 33 28.018 -4.186 -10.224 1.00 53.43 H new ATOM 0 HB3 ASN A 33 27.791 -2.572 -9.580 1.00 53.43 H new ATOM 0 HD21 ASN A 33 31.361 -4.498 -8.637 1.00 60.20 H new ATOM 0 HD22 ASN A 33 29.840 -5.396 -8.660 1.00 60.20 H new ATOM 524 N LYS A 34 25.950 -2.601 -7.089 1.00 4.41 N ATOM 525 CA LYS A 34 25.532 -1.549 -6.169 1.00 73.52 C ATOM 526 C LYS A 34 24.473 -2.065 -5.200 1.00 14.31 C ATOM 527 O LYS A 34 23.561 -1.333 -4.813 1.00 43.31 O ATOM 528 CB LYS A 34 24.986 -0.350 -6.947 1.00 73.25 C ATOM 529 CG LYS A 34 25.838 0.039 -8.143 1.00 25.52 C ATOM 530 CD LYS A 34 27.223 0.495 -7.715 1.00 63.31 C ATOM 531 CE LYS A 34 27.593 1.826 -8.351 1.00 53.11 C ATOM 532 NZ LYS A 34 26.919 2.969 -7.676 1.00 12.43 N ATOM 0 H LYS A 34 25.204 -2.961 -7.685 1.00 4.41 H new ATOM 0 HA LYS A 34 26.403 -1.235 -5.595 1.00 73.52 H new ATOM 0 HB2 LYS A 34 23.977 -0.579 -7.290 1.00 73.25 H new ATOM 0 HB3 LYS A 34 24.908 0.504 -6.274 1.00 73.25 H new ATOM 0 HG2 LYS A 34 25.927 -0.811 -8.820 1.00 25.52 H new ATOM 0 HG3 LYS A 34 25.346 0.838 -8.697 1.00 25.52 H new ATOM 0 HD2 LYS A 34 27.257 0.587 -6.629 1.00 63.31 H new ATOM 0 HD3 LYS A 34 27.958 -0.260 -7.994 1.00 63.31 H new ATOM 0 HE2 LYS A 34 28.673 1.963 -8.305 1.00 53.11 H new ATOM 0 HE3 LYS A 34 27.318 1.814 -9.406 1.00 53.11 H new ATOM 0 HZ1 LYS A 34 27.197 3.858 -8.139 1.00 12.43 H new ATOM 0 HZ2 LYS A 34 25.888 2.852 -7.742 1.00 12.43 H new ATOM 0 HZ3 LYS A 34 27.201 2.997 -6.675 1.00 12.43 H new ATOM 546 N LYS A 35 24.599 -3.328 -4.810 1.00 21.44 N ATOM 547 CA LYS A 35 23.655 -3.942 -3.883 1.00 0.30 C ATOM 548 C LYS A 35 23.857 -3.409 -2.468 1.00 50.52 C ATOM 549 O LYS A 35 24.831 -2.708 -2.191 1.00 12.30 O ATOM 550 CB LYS A 35 23.814 -5.464 -3.893 1.00 42.33 C ATOM 551 CG LYS A 35 25.223 -5.930 -3.571 1.00 23.11 C ATOM 552 CD LYS A 35 25.637 -7.101 -4.447 1.00 5.51 C ATOM 553 CE LYS A 35 25.405 -8.431 -3.747 1.00 14.43 C ATOM 554 NZ LYS A 35 26.280 -9.505 -4.291 1.00 45.21 N ATOM 0 H LYS A 35 25.347 -3.948 -5.122 1.00 21.44 H new ATOM 0 HA LYS A 35 22.647 -3.686 -4.209 1.00 0.30 H new ATOM 0 HB2 LYS A 35 23.123 -5.898 -3.171 1.00 42.33 H new ATOM 0 HB3 LYS A 35 23.530 -5.844 -4.874 1.00 42.33 H new ATOM 0 HG2 LYS A 35 25.921 -5.105 -3.711 1.00 23.11 H new ATOM 0 HG3 LYS A 35 25.280 -6.221 -2.522 1.00 23.11 H new ATOM 0 HD2 LYS A 35 25.073 -7.076 -5.379 1.00 5.51 H new ATOM 0 HD3 LYS A 35 26.691 -7.006 -4.709 1.00 5.51 H new ATOM 0 HE2 LYS A 35 25.592 -8.317 -2.679 1.00 14.43 H new ATOM 0 HE3 LYS A 35 24.361 -8.722 -3.858 1.00 14.43 H new ATOM 0 HZ1 LYS A 35 26.091 -10.395 -3.787 1.00 45.21 H new ATOM 0 HZ2 LYS A 35 26.084 -9.632 -5.304 1.00 45.21 H new ATOM 0 HZ3 LYS A 35 27.277 -9.239 -4.162 1.00 45.21 H new ATOM 568 N CYS A 36 22.932 -3.746 -1.576 1.00 52.20 N ATOM 569 CA CYS A 36 23.008 -3.302 -0.189 1.00 62.34 C ATOM 570 C CYS A 36 24.379 -3.610 0.405 1.00 24.35 C ATOM 571 O CYS A 36 24.759 -4.773 0.550 1.00 5.33 O ATOM 572 CB CYS A 36 21.916 -3.975 0.644 1.00 13.01 C ATOM 573 SG CYS A 36 20.350 -3.047 0.706 1.00 54.55 S ATOM 0 H CYS A 36 22.120 -4.326 -1.789 1.00 52.20 H new ATOM 0 HA CYS A 36 22.857 -2.223 -0.169 1.00 62.34 H new ATOM 0 HB2 CYS A 36 21.722 -4.967 0.236 1.00 13.01 H new ATOM 0 HB3 CYS A 36 22.284 -4.115 1.661 1.00 13.01 H new ATOM 578 N THR A 37 25.119 -2.560 0.749 1.00 33.22 N ATOM 579 CA THR A 37 26.447 -2.717 1.327 1.00 23.23 C ATOM 580 C THR A 37 26.534 -2.052 2.696 1.00 54.40 C ATOM 581 O THR A 37 27.495 -1.342 2.993 1.00 14.25 O ATOM 582 CB THR A 37 27.533 -2.122 0.410 1.00 32.44 C ATOM 583 OG1 THR A 37 27.165 -0.797 0.011 1.00 33.43 O ATOM 584 CG2 THR A 37 27.736 -2.991 -0.822 1.00 13.20 C ATOM 0 H THR A 37 24.820 -1.591 0.637 1.00 33.22 H new ATOM 0 HA THR A 37 26.619 -3.788 1.435 1.00 23.23 H new ATOM 0 HB THR A 37 28.469 -2.086 0.967 1.00 32.44 H new ATOM 0 HG1 THR A 37 27.861 -0.425 -0.570 1.00 33.43 H new ATOM 0 HG21 THR A 37 28.507 -2.551 -1.454 1.00 13.20 H new ATOM 0 HG22 THR A 37 28.045 -3.990 -0.515 1.00 13.20 H new ATOM 0 HG23 THR A 37 26.802 -3.055 -1.380 1.00 13.20 H new ATOM 592 N LYS A 38 25.524 -2.285 3.527 1.00 34.51 N ATOM 593 CA LYS A 38 25.485 -1.710 4.866 1.00 24.44 C ATOM 594 C LYS A 38 24.520 -2.481 5.762 1.00 42.51 C ATOM 595 O LYS A 38 23.614 -3.157 5.276 1.00 34.11 O ATOM 596 CB LYS A 38 25.072 -0.238 4.800 1.00 21.41 C ATOM 597 CG LYS A 38 26.181 0.723 5.190 1.00 44.01 C ATOM 598 CD LYS A 38 26.173 1.008 6.682 1.00 4.14 C ATOM 599 CE LYS A 38 25.855 2.468 6.969 1.00 24.54 C ATOM 600 NZ LYS A 38 24.402 2.758 6.822 1.00 44.05 N ATOM 0 H LYS A 38 24.720 -2.869 3.296 1.00 34.51 H new ATOM 0 HA LYS A 38 26.485 -1.781 5.294 1.00 24.44 H new ATOM 0 HB2 LYS A 38 24.742 -0.007 3.787 1.00 21.41 H new ATOM 0 HB3 LYS A 38 24.217 -0.079 5.458 1.00 21.41 H new ATOM 0 HG2 LYS A 38 27.145 0.303 4.904 1.00 44.01 H new ATOM 0 HG3 LYS A 38 26.065 1.657 4.640 1.00 44.01 H new ATOM 0 HD2 LYS A 38 25.436 0.371 7.171 1.00 4.14 H new ATOM 0 HD3 LYS A 38 27.145 0.756 7.107 1.00 4.14 H new ATOM 0 HE2 LYS A 38 26.175 2.717 7.981 1.00 24.54 H new ATOM 0 HE3 LYS A 38 26.423 3.104 6.290 1.00 24.54 H new ATOM 0 HZ1 LYS A 38 24.226 3.763 7.026 1.00 44.05 H new ATOM 0 HZ2 LYS A 38 24.102 2.544 5.849 1.00 44.05 H new ATOM 0 HZ3 LYS A 38 23.862 2.170 7.488 1.00 44.05 H new ATOM 614 N ASP A 39 24.720 -2.372 7.071 1.00 41.14 N ATOM 615 CA ASP A 39 23.866 -3.056 8.034 1.00 34.21 C ATOM 616 C ASP A 39 22.708 -2.161 8.466 1.00 63.12 C ATOM 617 O ASP A 39 22.918 -1.064 8.981 1.00 42.21 O ATOM 618 CB ASP A 39 24.679 -3.484 9.256 1.00 5.24 C ATOM 619 CG ASP A 39 25.566 -2.371 9.780 1.00 50.12 C ATOM 620 OD1 ASP A 39 25.098 -1.594 10.638 1.00 4.44 O ATOM 621 OD2 ASP A 39 26.728 -2.278 9.332 1.00 54.24 O ATOM 0 H ASP A 39 25.466 -1.816 7.489 1.00 41.14 H new ATOM 0 HA ASP A 39 23.456 -3.943 7.552 1.00 34.21 H new ATOM 0 HB2 ASP A 39 24.000 -3.806 10.046 1.00 5.24 H new ATOM 0 HB3 ASP A 39 25.296 -4.344 8.995 1.00 5.24 H new ATOM 626 N ASN A 40 21.486 -2.638 8.251 1.00 42.51 N ATOM 627 CA ASN A 40 20.295 -1.880 8.616 1.00 1.54 C ATOM 628 C ASN A 40 20.202 -0.589 7.807 1.00 32.52 C ATOM 629 O ASN A 40 19.786 0.448 8.321 1.00 42.34 O ATOM 630 CB ASN A 40 20.310 -1.557 10.112 1.00 54.31 C ATOM 631 CG ASN A 40 20.699 -2.753 10.958 1.00 61.50 C ATOM 632 OD1 ASN A 40 20.294 -3.882 10.680 1.00 62.40 O ATOM 633 ND2 ASN A 40 21.489 -2.511 11.998 1.00 50.04 N ATOM 0 H ASN A 40 21.295 -3.545 7.826 1.00 42.51 H new ATOM 0 HA ASN A 40 19.422 -2.492 8.391 1.00 1.54 H new ATOM 0 HB2 ASN A 40 21.009 -0.741 10.298 1.00 54.31 H new ATOM 0 HB3 ASN A 40 19.323 -1.207 10.415 1.00 54.31 H new ATOM 0 HD21 ASN A 40 21.784 -3.277 12.604 1.00 50.04 H new ATOM 0 HD22 ASN A 40 21.801 -1.559 12.191 1.00 50.04 H new ATOM 640 N ASN A 41 20.591 -0.664 6.539 1.00 41.34 N ATOM 641 CA ASN A 41 20.551 0.498 5.658 1.00 63.13 C ATOM 642 C ASN A 41 19.120 0.808 5.231 1.00 12.51 C ATOM 643 O ASN A 41 18.165 0.243 5.764 1.00 74.23 O ATOM 644 CB ASN A 41 21.423 0.258 4.423 1.00 35.21 C ATOM 645 CG ASN A 41 20.944 -0.922 3.599 1.00 43.35 C ATOM 646 OD1 ASN A 41 20.016 -0.799 2.799 1.00 45.22 O ATOM 647 ND2 ASN A 41 21.578 -2.073 3.791 1.00 75.15 N ATOM 0 H ASN A 41 20.937 -1.516 6.098 1.00 41.34 H new ATOM 0 HA ASN A 41 20.940 1.354 6.209 1.00 63.13 H new ATOM 0 HB2 ASN A 41 21.425 1.154 3.803 1.00 35.21 H new ATOM 0 HB3 ASN A 41 22.453 0.085 4.736 1.00 35.21 H new ATOM 0 HD21 ASN A 41 21.301 -2.902 3.265 1.00 75.15 H new ATOM 0 HD22 ASN A 41 22.342 -2.128 4.465 1.00 75.15 H new ATOM 654 N LYS A 42 18.978 1.711 4.266 1.00 24.03 N ATOM 655 CA LYS A 42 17.665 2.097 3.765 1.00 35.34 C ATOM 656 C LYS A 42 17.387 1.450 2.412 1.00 11.10 C ATOM 657 O LYS A 42 17.987 1.818 1.402 1.00 53.53 O ATOM 658 CB LYS A 42 17.569 3.619 3.644 1.00 10.32 C ATOM 659 CG LYS A 42 16.143 4.142 3.655 1.00 11.02 C ATOM 660 CD LYS A 42 15.678 4.525 2.260 1.00 65.30 C ATOM 661 CE LYS A 42 14.418 5.375 2.306 1.00 70.33 C ATOM 662 NZ LYS A 42 13.185 4.541 2.255 1.00 11.43 N ATOM 0 H LYS A 42 19.758 2.189 3.815 1.00 24.03 H new ATOM 0 HA LYS A 42 16.916 1.748 4.476 1.00 35.34 H new ATOM 0 HB2 LYS A 42 18.121 4.076 4.466 1.00 10.32 H new ATOM 0 HB3 LYS A 42 18.055 3.933 2.720 1.00 10.32 H new ATOM 0 HG2 LYS A 42 15.479 3.381 4.065 1.00 11.02 H new ATOM 0 HG3 LYS A 42 16.078 5.009 4.312 1.00 11.02 H new ATOM 0 HD2 LYS A 42 16.470 5.073 1.749 1.00 65.30 H new ATOM 0 HD3 LYS A 42 15.489 3.623 1.678 1.00 65.30 H new ATOM 0 HE2 LYS A 42 14.415 5.972 3.218 1.00 70.33 H new ATOM 0 HE3 LYS A 42 14.420 6.073 1.469 1.00 70.33 H new ATOM 0 HZ1 LYS A 42 12.600 4.835 1.447 1.00 11.43 H new ATOM 0 HZ2 LYS A 42 13.447 3.540 2.147 1.00 11.43 H new ATOM 0 HZ3 LYS A 42 12.646 4.664 3.136 1.00 11.43 H new ATOM 676 N CYS A 43 16.473 0.485 2.399 1.00 42.33 N ATOM 677 CA CYS A 43 16.115 -0.212 1.170 1.00 72.22 C ATOM 678 C CYS A 43 14.635 -0.584 1.167 1.00 53.51 C ATOM 679 O CYS A 43 14.076 -0.965 2.196 1.00 1.12 O ATOM 680 CB CYS A 43 16.968 -1.472 1.006 1.00 41.51 C ATOM 681 SG CYS A 43 16.553 -2.808 2.172 1.00 73.11 S ATOM 0 H CYS A 43 15.967 0.168 3.226 1.00 42.33 H new ATOM 0 HA CYS A 43 16.305 0.460 0.333 1.00 72.22 H new ATOM 0 HB2 CYS A 43 16.855 -1.845 -0.012 1.00 41.51 H new ATOM 0 HB3 CYS A 43 18.017 -1.206 1.133 1.00 41.51 H new ATOM 686 N THR A 44 14.004 -0.470 0.002 1.00 12.32 N ATOM 687 CA THR A 44 12.589 -0.792 -0.136 1.00 22.05 C ATOM 688 C THR A 44 12.384 -1.979 -1.070 1.00 2.11 C ATOM 689 O THR A 44 13.301 -2.385 -1.785 1.00 14.23 O ATOM 690 CB THR A 44 11.788 0.411 -0.669 1.00 22.14 C ATOM 691 OG1 THR A 44 12.221 0.739 -1.994 1.00 35.22 O ATOM 692 CG2 THR A 44 11.958 1.619 0.239 1.00 3.54 C ATOM 0 H THR A 44 14.451 -0.157 -0.860 1.00 12.32 H new ATOM 0 HA THR A 44 12.225 -1.049 0.859 1.00 22.05 H new ATOM 0 HB THR A 44 10.733 0.137 -0.689 1.00 22.14 H new ATOM 0 HG1 THR A 44 11.838 1.601 -2.259 1.00 35.22 H new ATOM 0 HG21 THR A 44 11.383 2.456 -0.158 1.00 3.54 H new ATOM 0 HG22 THR A 44 11.601 1.375 1.240 1.00 3.54 H new ATOM 0 HG23 THR A 44 13.012 1.893 0.287 1.00 3.54 H new ATOM 700 N VAL A 45 11.175 -2.532 -1.060 1.00 44.12 N ATOM 701 CA VAL A 45 10.849 -3.672 -1.909 1.00 4.13 C ATOM 702 C VAL A 45 9.477 -3.504 -2.552 1.00 4.13 C ATOM 703 O VAL A 45 8.479 -3.293 -1.863 1.00 22.14 O ATOM 704 CB VAL A 45 10.873 -4.990 -1.112 1.00 12.33 C ATOM 705 CG1 VAL A 45 10.636 -6.176 -2.034 1.00 10.12 C ATOM 706 CG2 VAL A 45 12.191 -5.138 -0.367 1.00 12.24 C ATOM 0 H VAL A 45 10.405 -2.209 -0.474 1.00 44.12 H new ATOM 0 HA VAL A 45 11.609 -3.714 -2.689 1.00 4.13 H new ATOM 0 HB VAL A 45 10.068 -4.965 -0.378 1.00 12.33 H new ATOM 0 HG11 VAL A 45 10.656 -7.098 -1.453 1.00 10.12 H new ATOM 0 HG12 VAL A 45 9.664 -6.073 -2.517 1.00 10.12 H new ATOM 0 HG13 VAL A 45 11.417 -6.208 -2.794 1.00 10.12 H new ATOM 0 HG21 VAL A 45 12.191 -6.075 0.191 1.00 12.24 H new ATOM 0 HG22 VAL A 45 13.014 -5.141 -1.081 1.00 12.24 H new ATOM 0 HG23 VAL A 45 12.314 -4.304 0.324 1.00 12.24 H new ATOM 716 N ASP A 46 9.435 -3.599 -3.876 1.00 62.10 N ATOM 717 CA ASP A 46 8.185 -3.459 -4.613 1.00 72.22 C ATOM 718 C ASP A 46 7.576 -4.825 -4.914 1.00 74.10 C ATOM 719 O ASP A 46 8.217 -5.683 -5.522 1.00 75.12 O ATOM 720 CB ASP A 46 8.419 -2.693 -5.916 1.00 60.42 C ATOM 721 CG ASP A 46 7.680 -1.370 -5.951 1.00 4.13 C ATOM 722 OD1 ASP A 46 6.446 -1.374 -5.758 1.00 42.45 O ATOM 723 OD2 ASP A 46 8.337 -0.330 -6.169 1.00 75.30 O ATOM 0 H ASP A 46 10.252 -3.772 -4.461 1.00 62.10 H new ATOM 0 HA ASP A 46 7.487 -2.898 -3.992 1.00 72.22 H new ATOM 0 HB2 ASP A 46 9.487 -2.513 -6.041 1.00 60.42 H new ATOM 0 HB3 ASP A 46 8.099 -3.307 -6.758 1.00 60.42 H new ATOM 728 N THR A 47 6.333 -5.022 -4.483 1.00 4.50 N ATOM 729 CA THR A 47 5.638 -6.283 -4.704 1.00 23.33 C ATOM 730 C THR A 47 4.677 -6.183 -5.883 1.00 3.32 C ATOM 731 O THR A 47 3.722 -6.952 -5.985 1.00 31.51 O ATOM 732 CB THR A 47 4.853 -6.719 -3.452 1.00 42.30 C ATOM 733 OG1 THR A 47 4.359 -8.052 -3.623 1.00 11.31 O ATOM 734 CG2 THR A 47 3.693 -5.772 -3.185 1.00 35.31 C ATOM 0 H THR A 47 5.788 -4.323 -3.979 1.00 4.50 H new ATOM 0 HA THR A 47 6.401 -7.029 -4.924 1.00 23.33 H new ATOM 0 HB THR A 47 5.529 -6.690 -2.597 1.00 42.30 H new ATOM 0 HG1 THR A 47 3.958 -8.141 -4.513 1.00 11.31 H new ATOM 0 HG21 THR A 47 3.153 -6.099 -2.297 1.00 35.31 H new ATOM 0 HG22 THR A 47 4.076 -4.764 -3.026 1.00 35.31 H new ATOM 0 HG23 THR A 47 3.018 -5.773 -4.041 1.00 35.31 H new ATOM 742 N TYR A 48 4.937 -5.230 -6.772 1.00 33.15 N ATOM 743 CA TYR A 48 4.093 -5.028 -7.943 1.00 60.05 C ATOM 744 C TYR A 48 4.910 -5.131 -9.227 1.00 64.45 C ATOM 745 O TYR A 48 4.430 -5.631 -10.244 1.00 31.23 O ATOM 746 CB TYR A 48 3.404 -3.664 -7.873 1.00 30.22 C ATOM 747 CG TYR A 48 2.257 -3.514 -8.847 1.00 22.03 C ATOM 748 CD1 TYR A 48 2.475 -3.058 -10.141 1.00 52.11 C ATOM 749 CD2 TYR A 48 0.956 -3.827 -8.473 1.00 24.14 C ATOM 750 CE1 TYR A 48 1.430 -2.918 -11.034 1.00 61.43 C ATOM 751 CE2 TYR A 48 -0.094 -3.692 -9.359 1.00 71.15 C ATOM 752 CZ TYR A 48 0.148 -3.237 -10.639 1.00 33.20 C ATOM 753 OH TYR A 48 -0.896 -3.100 -11.525 1.00 12.00 O ATOM 0 H TYR A 48 5.725 -4.586 -6.704 1.00 33.15 H new ATOM 0 HA TYR A 48 3.335 -5.811 -7.951 1.00 60.05 H new ATOM 0 HB2 TYR A 48 3.033 -3.505 -6.860 1.00 30.22 H new ATOM 0 HB3 TYR A 48 4.140 -2.884 -8.069 1.00 30.22 H new ATOM 0 HD1 TYR A 48 3.478 -2.809 -10.454 1.00 52.11 H new ATOM 0 HD2 TYR A 48 0.763 -4.182 -7.472 1.00 24.14 H new ATOM 0 HE1 TYR A 48 1.616 -2.561 -12.036 1.00 61.43 H new ATOM 0 HE2 TYR A 48 -1.099 -3.941 -9.052 1.00 71.15 H new ATOM 0 HH TYR A 48 -1.732 -3.368 -11.089 1.00 12.00 H new ATOM 763 N ASN A 49 6.150 -4.655 -9.172 1.00 60.10 N ATOM 764 CA ASN A 49 7.036 -4.693 -10.330 1.00 20.32 C ATOM 765 C ASN A 49 8.397 -5.272 -9.955 1.00 33.44 C ATOM 766 O ASN A 49 9.346 -5.208 -10.734 1.00 62.02 O ATOM 767 CB ASN A 49 7.210 -3.289 -10.912 1.00 12.03 C ATOM 768 CG ASN A 49 8.261 -2.483 -10.174 1.00 23.35 C ATOM 769 OD1 ASN A 49 9.364 -2.272 -10.678 1.00 4.23 O ATOM 770 ND2 ASN A 49 7.923 -2.030 -8.972 1.00 43.42 N ATOM 0 H ASN A 49 6.564 -4.239 -8.338 1.00 60.10 H new ATOM 0 HA ASN A 49 6.581 -5.337 -11.083 1.00 20.32 H new ATOM 0 HB2 ASN A 49 7.487 -3.366 -11.963 1.00 12.03 H new ATOM 0 HB3 ASN A 49 6.257 -2.761 -10.872 1.00 12.03 H new ATOM 0 HD21 ASN A 49 8.589 -1.483 -8.427 1.00 43.42 H new ATOM 0 HD22 ASN A 49 6.997 -2.229 -8.594 1.00 43.42 H new ATOM 777 N ASN A 50 8.482 -5.838 -8.755 1.00 65.52 N ATOM 778 CA ASN A 50 9.727 -6.429 -8.276 1.00 73.41 C ATOM 779 C ASN A 50 10.885 -5.446 -8.415 1.00 12.01 C ATOM 780 O ASN A 50 11.758 -5.616 -9.265 1.00 50.33 O ATOM 781 CB ASN A 50 10.037 -7.713 -9.049 1.00 41.43 C ATOM 782 CG ASN A 50 11.015 -8.608 -8.314 1.00 64.32 C ATOM 783 OD1 ASN A 50 11.327 -8.378 -7.146 1.00 22.44 O ATOM 784 ND2 ASN A 50 11.505 -9.636 -8.998 1.00 30.22 N ATOM 0 H ASN A 50 7.705 -5.900 -8.097 1.00 65.52 H new ATOM 0 HA ASN A 50 9.603 -6.669 -7.220 1.00 73.41 H new ATOM 0 HB2 ASN A 50 9.111 -8.260 -9.226 1.00 41.43 H new ATOM 0 HB3 ASN A 50 10.447 -7.456 -10.026 1.00 41.43 H new ATOM 0 HD21 ASN A 50 12.168 -10.273 -8.556 1.00 30.22 H new ATOM 0 HD22 ASN A 50 11.218 -9.788 -9.965 1.00 30.22 H new ATOM 791 N ALA A 51 10.885 -4.418 -7.573 1.00 0.22 N ATOM 792 CA ALA A 51 11.937 -3.409 -7.600 1.00 15.34 C ATOM 793 C ALA A 51 12.463 -3.127 -6.196 1.00 71.14 C ATOM 794 O ALA A 51 11.689 -2.897 -5.267 1.00 4.03 O ATOM 795 CB ALA A 51 11.422 -2.128 -8.239 1.00 44.45 C ATOM 0 H ALA A 51 10.169 -4.262 -6.864 1.00 0.22 H new ATOM 0 HA ALA A 51 12.762 -3.795 -8.198 1.00 15.34 H new ATOM 0 HB1 ALA A 51 12.217 -1.383 -8.253 1.00 44.45 H new ATOM 0 HB2 ALA A 51 11.100 -2.334 -9.260 1.00 44.45 H new ATOM 0 HB3 ALA A 51 10.579 -1.748 -7.663 1.00 44.45 H new ATOM 801 N VAL A 52 13.784 -3.147 -6.050 1.00 30.53 N ATOM 802 CA VAL A 52 14.414 -2.894 -4.759 1.00 51.15 C ATOM 803 C VAL A 52 15.173 -1.572 -4.769 1.00 43.00 C ATOM 804 O VAL A 52 15.671 -1.138 -5.808 1.00 11.40 O ATOM 805 CB VAL A 52 15.383 -4.027 -4.376 1.00 24.52 C ATOM 806 CG1 VAL A 52 16.498 -4.148 -5.404 1.00 2.34 C ATOM 807 CG2 VAL A 52 15.953 -3.793 -2.985 1.00 33.13 C ATOM 0 H VAL A 52 14.439 -3.336 -6.809 1.00 30.53 H new ATOM 0 HA VAL A 52 13.614 -2.845 -4.020 1.00 51.15 H new ATOM 0 HB VAL A 52 14.829 -4.966 -4.364 1.00 24.52 H new ATOM 0 HG11 VAL A 52 17.173 -4.954 -5.116 1.00 2.34 H new ATOM 0 HG12 VAL A 52 16.069 -4.366 -6.382 1.00 2.34 H new ATOM 0 HG13 VAL A 52 17.052 -3.211 -5.452 1.00 2.34 H new ATOM 0 HG21 VAL A 52 16.636 -4.604 -2.731 1.00 33.13 H new ATOM 0 HG22 VAL A 52 16.492 -2.846 -2.967 1.00 33.13 H new ATOM 0 HG23 VAL A 52 15.140 -3.762 -2.259 1.00 33.13 H new ATOM 817 N ASP A 53 15.259 -0.937 -3.605 1.00 52.14 N ATOM 818 CA ASP A 53 15.959 0.336 -3.479 1.00 23.24 C ATOM 819 C ASP A 53 17.163 0.203 -2.551 1.00 1.50 C ATOM 820 O ASP A 53 17.363 1.024 -1.655 1.00 45.43 O ATOM 821 CB ASP A 53 15.011 1.414 -2.953 1.00 12.31 C ATOM 822 CG ASP A 53 15.431 2.809 -3.371 1.00 44.45 C ATOM 823 OD1 ASP A 53 15.565 3.680 -2.486 1.00 23.01 O ATOM 824 OD2 ASP A 53 15.628 3.030 -4.585 1.00 13.54 O ATOM 0 H ASP A 53 14.853 -1.283 -2.736 1.00 52.14 H new ATOM 0 HA ASP A 53 16.314 0.627 -4.468 1.00 23.24 H new ATOM 0 HB2 ASP A 53 14.003 1.217 -3.318 1.00 12.31 H new ATOM 0 HB3 ASP A 53 14.972 1.360 -1.865 1.00 12.31 H new ATOM 829 N CYS A 54 17.961 -0.836 -2.771 1.00 5.23 N ATOM 830 CA CYS A 54 19.145 -1.078 -1.954 1.00 52.33 C ATOM 831 C CYS A 54 20.083 0.126 -1.986 1.00 71.51 C ATOM 832 O CYS A 54 20.300 0.729 -3.037 1.00 13.10 O ATOM 833 CB CYS A 54 19.882 -2.326 -2.444 1.00 53.23 C ATOM 834 SG CYS A 54 20.208 -2.341 -4.236 1.00 71.15 S ATOM 0 H CYS A 54 17.810 -1.524 -3.508 1.00 5.23 H new ATOM 0 HA CYS A 54 18.820 -1.236 -0.926 1.00 52.33 H new ATOM 0 HB2 CYS A 54 20.830 -2.407 -1.912 1.00 53.23 H new ATOM 0 HB3 CYS A 54 19.295 -3.207 -2.185 1.00 53.23 H new ATOM 839 N ASP A 55 20.636 0.468 -0.828 1.00 22.21 N ATOM 840 CA ASP A 55 21.552 1.598 -0.722 1.00 61.34 C ATOM 841 C ASP A 55 22.862 1.304 -1.446 1.00 44.55 C ATOM 842 O ASP A 55 22.862 0.819 -2.579 1.00 22.14 O ATOM 843 CB ASP A 55 21.828 1.922 0.746 1.00 2.44 C ATOM 844 CG ASP A 55 21.184 3.223 1.183 1.00 52.42 C ATOM 845 OD1 ASP A 55 20.163 3.612 0.578 1.00 55.30 O ATOM 846 OD2 ASP A 55 21.700 3.852 2.130 1.00 43.42 O ATOM 0 H ASP A 55 20.466 -0.021 0.051 1.00 22.21 H new ATOM 0 HA ASP A 55 21.082 2.461 -1.194 1.00 61.34 H new ATOM 0 HB2 ASP A 55 21.457 1.109 1.370 1.00 2.44 H new ATOM 0 HB3 ASP A 55 22.905 1.981 0.906 1.00 2.44 H new