USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 424 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 7 CYS SG : rot -157:sc= 0.558 USER MOD Set 1.2: A 12 ASN : amide:sc= -1.13 X(o=0.018,f=-0.061) USER MOD Set 1.3: A 28 CYS SG : rot 112:sc= -0.224 USER MOD Set 1.4: A 43 CYS SG : rot 165:sc= 0.415 USER MOD Set 1.5: A 54 CYS SG : rot 52:sc= 0.396 USER MOD Set 2.1: A 36 CYS SG : rot -105:sc= 0.134 USER MOD Set 2.2: A 41 ASN : amide:sc= -0.979 K(o=-0.84,f=-6.2!) USER MOD Set 3.1: A 18 ASN :FLIP amide:sc= 0.722 F(o=-1.7,f=1.6) USER MOD Set 3.2: A 24 THR OG1 : rot 138:sc= 0.866 USER MOD Set 4.1: A 8 THR OG1 : rot -39:sc= -0.332 USER MOD Set 4.2: A 10 SER OG : rot 180:sc= 0.0127 USER MOD Set 5.1: A 1 ALA N :NH3+ -105:sc= 0.101 (180deg=0) USER MOD Set 5.2: A 47 THR OG1 : rot 170:sc= -0.066 USER MOD Single : A 2 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0567) USER MOD Single : A 3 TYR OH : rot 180:sc=-0.00669 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 0.318 (180deg=0.214) USER MOD Single : A 14 CYS SG : rot 149:sc= -1.56! 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -144:sc= -0.0308 (180deg=-1.31!) USER MOD Single : A 33 ASN : amide:sc= -0.0863 X(o=-0.086,f=-0.46) 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 X(o=0,f=-0.39) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -2.78 K(o=-2.8,f=-5.9!) USER MOD Single : A 50 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.081) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.487 0.829 2.167 1.00 0.00 N ATOM 2 CA ALA A 1 -14.088 1.117 0.795 1.00 0.00 C ATOM 3 C ALA A 1 -12.633 0.729 0.553 1.00 0.00 C ATOM 4 O ALA A 1 -11.857 0.568 1.496 1.00 0.00 O ATOM 5 CB ALA A 1 -14.303 2.590 0.481 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.090 -0.019 2.183 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.640 0.662 2.747 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.017 1.637 2.551 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.711 0.520 0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.001 2.791 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.357 2.838 0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.705 3.198 1.160 1.00 0.00 H new ATOM 11 N LYS A 2 -12.268 0.579 -0.716 1.00 0.00 N ATOM 12 CA LYS A 2 -10.906 0.212 -1.083 1.00 0.00 C ATOM 13 C LYS A 2 -10.235 1.330 -1.872 1.00 0.00 C ATOM 14 O LYS A 2 -10.892 2.271 -2.317 1.00 0.00 O ATOM 15 CB LYS A 2 -10.910 -1.079 -1.908 1.00 0.00 C ATOM 16 CG LYS A 2 -11.409 -2.290 -1.140 1.00 0.00 C ATOM 17 CD LYS A 2 -10.684 -3.557 -1.565 1.00 0.00 C ATOM 18 CE LYS A 2 -11.332 -4.796 -0.968 1.00 0.00 C ATOM 19 NZ LYS A 2 -12.623 -5.123 -1.635 1.00 0.00 N ATOM 0 H LYS A 2 -12.898 0.706 -1.508 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.340 0.049 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.535 -0.935 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.899 -1.276 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.266 -2.129 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.480 -2.410 -1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.687 -3.632 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.641 -3.503 -1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.651 -5.642 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.503 -4.639 0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.957 -6.052 -1.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.330 -4.398 -1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.485 -5.148 -2.665 1.00 0.00 H new ATOM 33 N TYR A 3 -8.922 1.221 -2.043 1.00 0.00 N ATOM 34 CA TYR A 3 -8.160 2.224 -2.777 1.00 0.00 C ATOM 35 C TYR A 3 -7.057 1.572 -3.606 1.00 0.00 C ATOM 36 O TYR A 3 -6.260 0.786 -3.093 1.00 0.00 O ATOM 37 CB TYR A 3 -7.553 3.243 -1.811 1.00 0.00 C ATOM 38 CG TYR A 3 -8.578 4.137 -1.151 1.00 0.00 C ATOM 39 CD1 TYR A 3 -9.041 5.283 -1.786 1.00 0.00 C ATOM 40 CD2 TYR A 3 -9.085 3.835 0.107 1.00 0.00 C ATOM 41 CE1 TYR A 3 -9.976 6.104 -1.187 1.00 0.00 C ATOM 42 CE2 TYR A 3 -10.023 4.649 0.713 1.00 0.00 C ATOM 43 CZ TYR A 3 -10.464 5.782 0.063 1.00 0.00 C ATOM 44 OH TYR A 3 -11.397 6.597 0.663 1.00 0.00 O ATOM 0 H TYR A 3 -8.363 0.447 -1.683 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.843 2.738 -3.454 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.996 2.712 -1.039 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.838 3.862 -2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -8.663 5.536 -2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.740 2.949 0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -10.323 6.992 -1.694 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.408 4.399 1.690 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.638 6.229 1.539 1.00 0.00 H new ATOM 54 N THR A 4 -7.017 1.904 -4.893 1.00 0.00 N ATOM 55 CA THR A 4 -6.015 1.353 -5.794 1.00 0.00 C ATOM 56 C THR A 4 -4.691 2.098 -5.666 1.00 0.00 C ATOM 57 O THR A 4 -4.661 3.328 -5.636 1.00 0.00 O ATOM 58 CB THR A 4 -6.483 1.411 -7.260 1.00 0.00 C ATOM 59 OG1 THR A 4 -5.563 0.702 -8.097 1.00 0.00 O ATOM 60 CG2 THR A 4 -6.603 2.851 -7.734 1.00 0.00 C ATOM 0 H THR A 4 -7.669 2.553 -5.334 1.00 0.00 H new ATOM 0 HA THR A 4 -5.873 0.311 -5.507 1.00 0.00 H new ATOM 0 HB THR A 4 -7.465 0.942 -7.323 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.869 0.742 -9.027 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.935 2.866 -8.772 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.327 3.379 -7.114 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.633 3.342 -7.656 1.00 0.00 H new ATOM 68 N GLY A 5 -3.597 1.345 -5.593 1.00 0.00 N ATOM 69 CA GLY A 5 -2.285 1.953 -5.470 1.00 0.00 C ATOM 70 C GLY A 5 -1.163 0.945 -5.620 1.00 0.00 C ATOM 71 O GLY A 5 -1.396 -0.202 -6.001 1.00 0.00 O ATOM 0 H GLY A 5 -3.596 0.325 -5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.175 2.730 -6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.204 2.441 -4.499 1.00 0.00 H new ATOM 75 N LYS A 6 0.059 1.373 -5.321 1.00 0.00 N ATOM 76 CA LYS A 6 1.222 0.502 -5.424 1.00 0.00 C ATOM 77 C LYS A 6 2.293 0.900 -4.413 1.00 0.00 C ATOM 78 O LYS A 6 2.203 1.954 -3.782 1.00 0.00 O ATOM 79 CB LYS A 6 1.800 0.553 -6.841 1.00 0.00 C ATOM 80 CG LYS A 6 0.890 -0.057 -7.892 1.00 0.00 C ATOM 81 CD LYS A 6 -0.033 0.984 -8.503 1.00 0.00 C ATOM 82 CE LYS A 6 0.335 1.273 -9.951 1.00 0.00 C ATOM 83 NZ LYS A 6 -0.761 1.977 -10.672 1.00 0.00 N ATOM 0 H LYS A 6 0.269 2.320 -5.005 1.00 0.00 H new ATOM 0 HA LYS A 6 0.901 -0.516 -5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.001 1.591 -7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.756 0.030 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.494 -0.514 -8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.296 -0.852 -7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.064 0.633 -8.451 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.020 1.905 -7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.239 1.881 -9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.563 0.337 -10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.471 2.156 -11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.617 1.386 -10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.962 2.882 -10.200 1.00 0.00 H new ATOM 97 N CYS A 7 3.303 0.051 -4.264 1.00 0.00 N ATOM 98 CA CYS A 7 4.392 0.316 -3.329 1.00 0.00 C ATOM 99 C CYS A 7 5.725 0.421 -4.062 1.00 0.00 C ATOM 100 O CYS A 7 5.831 0.065 -5.235 1.00 0.00 O ATOM 101 CB CYS A 7 4.463 -0.788 -2.272 1.00 0.00 C ATOM 102 SG CYS A 7 3.274 -0.596 -0.923 1.00 0.00 S ATOM 0 H CYS A 7 3.391 -0.826 -4.777 1.00 0.00 H new ATOM 0 HA CYS A 7 4.193 1.268 -2.838 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.295 -1.750 -2.755 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.469 -0.812 -1.854 1.00 0.00 H new ATOM 0 HG CYS A 7 3.694 -1.247 0.121 1.00 0.00 H new ATOM 108 N THR A 8 6.742 0.916 -3.362 1.00 0.00 N ATOM 109 CA THR A 8 8.068 1.071 -3.946 1.00 0.00 C ATOM 110 C THR A 8 9.102 0.247 -3.189 1.00 0.00 C ATOM 111 O THR A 8 8.998 0.064 -1.975 1.00 0.00 O ATOM 112 CB THR A 8 8.509 2.546 -3.954 1.00 0.00 C ATOM 113 OG1 THR A 8 8.955 2.931 -2.649 1.00 0.00 O ATOM 114 CG2 THR A 8 7.365 3.450 -4.391 1.00 0.00 C ATOM 0 H THR A 8 6.672 1.216 -2.390 1.00 0.00 H new ATOM 0 HA THR A 8 8.004 0.713 -4.974 1.00 0.00 H new ATOM 0 HB THR A 8 9.329 2.654 -4.664 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.381 2.516 -1.972 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.700 4.487 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.046 3.173 -5.396 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.529 3.337 -3.701 1.00 0.00 H new ATOM 122 N LYS A 9 10.102 -0.247 -3.910 1.00 0.00 N ATOM 123 CA LYS A 9 11.159 -1.050 -3.307 1.00 0.00 C ATOM 124 C LYS A 9 11.854 -0.282 -2.186 1.00 0.00 C ATOM 125 O LYS A 9 12.419 -0.878 -1.269 1.00 0.00 O ATOM 126 CB LYS A 9 12.183 -1.464 -4.366 1.00 0.00 C ATOM 127 CG LYS A 9 12.599 -0.328 -5.285 1.00 0.00 C ATOM 128 CD LYS A 9 14.049 -0.466 -5.719 1.00 0.00 C ATOM 129 CE LYS A 9 14.193 -1.433 -6.884 1.00 0.00 C ATOM 130 NZ LYS A 9 15.287 -2.417 -6.656 1.00 0.00 N ATOM 0 H LYS A 9 10.203 -0.105 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 9 10.703 -1.945 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.068 -1.861 -3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.766 -2.272 -4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.955 -0.315 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.460 0.625 -4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.439 0.511 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.650 -0.815 -4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.253 -1.964 -7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.392 -0.873 -7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.353 -3.058 -7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.189 -1.912 -6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.084 -2.969 -5.798 1.00 0.00 H new ATOM 144 N SER A 10 11.806 1.044 -2.266 1.00 0.00 N ATOM 145 CA SER A 10 12.433 1.893 -1.259 1.00 0.00 C ATOM 146 C SER A 10 11.388 2.467 -0.306 1.00 0.00 C ATOM 147 O SER A 10 11.646 3.438 0.405 1.00 0.00 O ATOM 148 CB SER A 10 13.205 3.030 -1.931 1.00 0.00 C ATOM 149 OG SER A 10 12.499 3.536 -3.051 1.00 0.00 O ATOM 0 H SER A 10 11.340 1.553 -3.017 1.00 0.00 H new ATOM 0 HA SER A 10 13.128 1.281 -0.684 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.376 3.832 -1.213 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.185 2.671 -2.247 1.00 0.00 H new ATOM 0 HG SER A 10 13.013 4.263 -3.461 1.00 0.00 H new ATOM 155 N LYS A 11 10.208 1.858 -0.297 1.00 0.00 N ATOM 156 CA LYS A 11 9.122 2.304 0.569 1.00 0.00 C ATOM 157 C LYS A 11 7.887 1.427 0.390 1.00 0.00 C ATOM 158 O LYS A 11 7.090 1.639 -0.523 1.00 0.00 O ATOM 159 CB LYS A 11 8.772 3.764 0.270 1.00 0.00 C ATOM 160 CG LYS A 11 9.078 4.711 1.418 1.00 0.00 C ATOM 161 CD LYS A 11 8.264 4.369 2.654 1.00 0.00 C ATOM 162 CE LYS A 11 8.736 5.158 3.867 1.00 0.00 C ATOM 163 NZ LYS A 11 7.944 6.403 4.062 1.00 0.00 N ATOM 0 H LYS A 11 9.978 1.053 -0.880 1.00 0.00 H new ATOM 0 HA LYS A 11 9.457 2.221 1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.323 4.087 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.712 3.832 0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.141 4.664 1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.865 5.735 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.211 4.581 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.343 3.301 2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.658 4.535 4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.789 5.413 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.141 6.795 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.207 7.099 3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.930 6.186 3.982 1.00 0.00 H new ATOM 177 N ASN A 12 7.735 0.442 1.270 1.00 0.00 N ATOM 178 CA ASN A 12 6.595 -0.467 1.208 1.00 0.00 C ATOM 179 C ASN A 12 5.354 0.175 1.820 1.00 0.00 C ATOM 180 O ASN A 12 4.839 -0.291 2.836 1.00 0.00 O ATOM 181 CB ASN A 12 6.920 -1.772 1.937 1.00 0.00 C ATOM 182 CG ASN A 12 5.767 -2.758 1.899 1.00 0.00 C ATOM 183 OD1 ASN A 12 5.061 -2.864 0.896 1.00 0.00 O ATOM 184 ND2 ASN A 12 5.572 -3.483 2.993 1.00 0.00 N ATOM 0 H ASN A 12 8.385 0.253 2.033 1.00 0.00 H new ATOM 0 HA ASN A 12 6.390 -0.684 0.160 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.800 -2.229 1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.173 -1.552 2.974 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.812 -4.162 3.026 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.182 -3.361 3.801 1.00 0.00 H new ATOM 191 N GLU A 13 4.879 1.247 1.193 1.00 0.00 N ATOM 192 CA GLU A 13 3.698 1.953 1.676 1.00 0.00 C ATOM 193 C GLU A 13 2.776 2.326 0.519 1.00 0.00 C ATOM 194 O GLU A 13 3.227 2.826 -0.512 1.00 0.00 O ATOM 195 CB GLU A 13 4.108 3.213 2.442 1.00 0.00 C ATOM 196 CG GLU A 13 4.574 4.346 1.545 1.00 0.00 C ATOM 197 CD GLU A 13 4.937 5.596 2.324 1.00 0.00 C ATOM 198 OE1 GLU A 13 4.992 5.522 3.570 1.00 0.00 O ATOM 199 OE2 GLU A 13 5.166 6.646 1.690 1.00 0.00 O ATOM 0 H GLU A 13 5.294 1.645 0.350 1.00 0.00 H new ATOM 0 HA GLU A 13 3.158 1.287 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.263 3.557 3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.907 2.960 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.440 4.017 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.788 4.584 0.829 1.00 0.00 H new ATOM 206 N CYS A 14 1.483 2.078 0.698 1.00 0.00 N ATOM 207 CA CYS A 14 0.496 2.386 -0.332 1.00 0.00 C ATOM 208 C CYS A 14 0.267 3.891 -0.433 1.00 0.00 C ATOM 209 O CYS A 14 -0.509 4.463 0.331 1.00 0.00 O ATOM 210 CB CYS A 14 -0.824 1.676 -0.030 1.00 0.00 C ATOM 211 SG CYS A 14 -1.804 1.285 -1.498 1.00 0.00 S ATOM 0 H CYS A 14 1.094 1.665 1.546 1.00 0.00 H new ATOM 0 HA CYS A 14 0.881 2.031 -1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.612 0.753 0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.418 2.304 0.634 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.486 0.199 -1.288 1.00 0.00 H new ATOM 217 N LYS A 15 0.950 4.525 -1.379 1.00 0.00 N ATOM 218 CA LYS A 15 0.823 5.964 -1.582 1.00 0.00 C ATOM 219 C LYS A 15 -0.421 6.289 -2.402 1.00 0.00 C ATOM 220 O LYS A 15 -0.328 6.847 -3.496 1.00 0.00 O ATOM 221 CB LYS A 15 2.067 6.513 -2.283 1.00 0.00 C ATOM 222 CG LYS A 15 3.369 5.936 -1.754 1.00 0.00 C ATOM 223 CD LYS A 15 4.538 6.873 -2.007 1.00 0.00 C ATOM 224 CE LYS A 15 5.586 6.227 -2.902 1.00 0.00 C ATOM 225 NZ LYS A 15 6.194 7.210 -3.840 1.00 0.00 N ATOM 0 H LYS A 15 1.598 4.065 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 15 0.727 6.437 -0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.994 6.304 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.088 7.597 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.277 5.749 -0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.562 4.975 -2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.177 7.790 -2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.993 7.154 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.367 5.783 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.129 5.417 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.903 6.732 -4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.453 7.616 -4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.652 7.970 -3.298 1.00 0.00 H new ATOM 239 N TYR A 16 -1.586 5.941 -1.866 1.00 0.00 N ATOM 240 CA TYR A 16 -2.849 6.196 -2.548 1.00 0.00 C ATOM 241 C TYR A 16 -3.488 7.487 -2.046 1.00 0.00 C ATOM 242 O TYR A 16 -2.955 8.155 -1.160 1.00 0.00 O ATOM 243 CB TYR A 16 -3.810 5.024 -2.341 1.00 0.00 C ATOM 244 CG TYR A 16 -4.421 4.978 -0.959 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.769 4.338 0.089 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.649 5.573 -0.700 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.323 4.293 1.353 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.210 5.534 0.561 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.543 4.893 1.585 1.00 0.00 C ATOM 250 OH TYR A 16 -6.100 4.851 2.843 1.00 0.00 O ATOM 0 H TYR A 16 -1.681 5.481 -0.961 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.643 6.304 -3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.609 5.085 -3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.277 4.091 -2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.813 3.868 -0.089 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.174 6.075 -1.499 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.804 3.791 2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.166 6.003 0.745 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.960 5.322 2.836 1.00 0.00 H new ATOM 260 N LYS A 17 -4.636 7.832 -2.618 1.00 0.00 N ATOM 261 CA LYS A 17 -5.352 9.042 -2.230 1.00 0.00 C ATOM 262 C LYS A 17 -6.763 8.710 -1.755 1.00 0.00 C ATOM 263 O LYS A 17 -7.440 7.862 -2.335 1.00 0.00 O ATOM 264 CB LYS A 17 -5.415 10.020 -3.405 1.00 0.00 C ATOM 265 CG LYS A 17 -5.844 9.376 -4.712 1.00 0.00 C ATOM 266 CD LYS A 17 -5.719 10.342 -5.878 1.00 0.00 C ATOM 267 CE LYS A 17 -4.353 10.242 -6.541 1.00 0.00 C ATOM 268 NZ LYS A 17 -4.375 10.762 -7.936 1.00 0.00 N ATOM 0 H LYS A 17 -5.091 7.290 -3.353 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.810 9.507 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.110 10.824 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.434 10.476 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.232 8.494 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.876 9.036 -4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.497 10.131 -6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.880 11.361 -5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.623 10.802 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.027 9.202 -6.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.426 10.677 -8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.053 10.211 -8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.662 11.762 -7.929 1.00 0.00 H new ATOM 282 N ASN A 18 -7.200 9.385 -0.698 1.00 0.00 N ATOM 283 CA ASN A 18 -8.531 9.161 -0.145 1.00 0.00 C ATOM 284 C ASN A 18 -9.299 10.475 -0.030 1.00 0.00 C ATOM 285 O ASN A 18 -8.728 11.556 -0.179 1.00 0.00 O ATOM 286 CB ASN A 18 -8.431 8.494 1.228 1.00 0.00 C ATOM 287 CG ASN A 18 -8.382 9.504 2.360 1.00 0.00 C ATOM 288 OD1 ASN A 18 -7.382 10.376 2.331 1.00 0.00 O flip ATOM 289 ND2 ASN A 18 -9.235 9.498 3.248 1.00 0.00 N flip ATOM 0 H ASN A 18 -6.653 10.092 -0.207 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.073 8.501 -0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.286 7.833 1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.537 7.871 1.262 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.986 8.808 3.229 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.190 10.183 4.003 1.00 0.00 H new ATOM 296 N ASP A 19 -10.597 10.373 0.237 1.00 0.00 N ATOM 297 CA ASP A 19 -11.444 11.553 0.374 1.00 0.00 C ATOM 298 C ASP A 19 -11.682 12.211 -0.981 1.00 0.00 C ATOM 299 O ASP A 19 -12.792 12.178 -1.512 1.00 0.00 O ATOM 300 CB ASP A 19 -10.807 12.555 1.337 1.00 0.00 C ATOM 301 CG ASP A 19 -11.823 13.509 1.934 1.00 0.00 C ATOM 302 OD1 ASP A 19 -12.415 14.300 1.171 1.00 0.00 O ATOM 303 OD2 ASP A 19 -12.025 13.465 3.166 1.00 0.00 O ATOM 0 H ASP A 19 -11.085 9.486 0.363 1.00 0.00 H new ATOM 0 HA ASP A 19 -12.406 11.235 0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.305 12.015 2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.043 13.126 0.810 1.00 0.00 H new ATOM 308 N ALA A 20 -10.633 12.810 -1.535 1.00 0.00 N ATOM 309 CA ALA A 20 -10.727 13.475 -2.828 1.00 0.00 C ATOM 310 C ALA A 20 -9.378 14.046 -3.251 1.00 0.00 C ATOM 311 O ALA A 20 -9.253 15.242 -3.513 1.00 0.00 O ATOM 312 CB ALA A 20 -11.776 14.575 -2.780 1.00 0.00 C ATOM 0 H ALA A 20 -9.708 12.848 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.027 12.734 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.836 15.064 -3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.745 14.143 -2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.500 15.308 -2.022 1.00 0.00 H new ATOM 318 N GLY A 21 -8.368 13.182 -3.317 1.00 0.00 N ATOM 319 CA GLY A 21 -7.041 13.620 -3.708 1.00 0.00 C ATOM 320 C GLY A 21 -6.170 13.965 -2.516 1.00 0.00 C ATOM 321 O GLY A 21 -5.181 14.686 -2.649 1.00 0.00 O ATOM 0 H GLY A 21 -8.446 12.187 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.560 12.835 -4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.126 14.492 -4.357 1.00 0.00 H new ATOM 325 N LYS A 22 -6.537 13.450 -1.349 1.00 0.00 N ATOM 326 CA LYS A 22 -5.783 13.706 -0.128 1.00 0.00 C ATOM 327 C LYS A 22 -4.548 12.815 -0.054 1.00 0.00 C ATOM 328 O LYS A 22 -4.498 11.754 -0.676 1.00 0.00 O ATOM 329 CB LYS A 22 -6.667 13.475 1.101 1.00 0.00 C ATOM 330 CG LYS A 22 -6.601 14.601 2.118 1.00 0.00 C ATOM 331 CD LYS A 22 -5.429 14.425 3.069 1.00 0.00 C ATOM 332 CE LYS A 22 -5.841 14.665 4.514 1.00 0.00 C ATOM 333 NZ LYS A 22 -4.884 15.559 5.222 1.00 0.00 N ATOM 0 H LYS A 22 -7.353 12.852 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.458 14.746 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.700 13.350 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.369 12.544 1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.510 15.556 1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.530 14.634 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.025 13.418 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.632 15.117 2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.837 15.107 4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.902 13.711 5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.200 15.698 6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.938 15.126 5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.845 16.478 4.738 1.00 0.00 H new ATOM 347 N ASP A 23 -3.553 13.252 0.712 1.00 0.00 N ATOM 348 CA ASP A 23 -2.319 12.492 0.868 1.00 0.00 C ATOM 349 C ASP A 23 -2.423 11.522 2.041 1.00 0.00 C ATOM 350 O ASP A 23 -2.494 11.935 3.199 1.00 0.00 O ATOM 351 CB ASP A 23 -1.135 13.438 1.077 1.00 0.00 C ATOM 352 CG ASP A 23 -1.177 14.632 0.144 1.00 0.00 C ATOM 353 OD1 ASP A 23 -0.874 14.458 -1.056 1.00 0.00 O ATOM 354 OD2 ASP A 23 -1.511 15.740 0.613 1.00 0.00 O ATOM 0 H ASP A 23 -3.578 14.128 1.234 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.158 11.917 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.131 13.787 2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.205 12.891 0.921 1.00 0.00 H new ATOM 359 N THR A 24 -2.432 10.228 1.733 1.00 0.00 N ATOM 360 CA THR A 24 -2.531 9.198 2.761 1.00 0.00 C ATOM 361 C THR A 24 -1.572 8.047 2.478 1.00 0.00 C ATOM 362 O THR A 24 -1.604 7.449 1.402 1.00 0.00 O ATOM 363 CB THR A 24 -3.964 8.645 2.865 1.00 0.00 C ATOM 364 OG1 THR A 24 -4.872 9.698 3.208 1.00 0.00 O ATOM 365 CG2 THR A 24 -4.043 7.541 3.909 1.00 0.00 C ATOM 0 H THR A 24 -2.372 9.869 0.780 1.00 0.00 H new ATOM 0 HA THR A 24 -2.262 9.667 3.707 1.00 0.00 H new ATOM 0 HB THR A 24 -4.240 8.229 1.896 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.688 9.614 2.672 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.065 7.166 3.965 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.372 6.728 3.630 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.748 7.937 4.881 1.00 0.00 H new ATOM 373 N PHE A 25 -0.722 7.740 3.452 1.00 0.00 N ATOM 374 CA PHE A 25 0.246 6.659 3.307 1.00 0.00 C ATOM 375 C PHE A 25 0.118 5.657 4.452 1.00 0.00 C ATOM 376 O PHE A 25 -0.221 6.025 5.577 1.00 0.00 O ATOM 377 CB PHE A 25 1.669 7.221 3.264 1.00 0.00 C ATOM 378 CG PHE A 25 1.859 8.287 2.224 1.00 0.00 C ATOM 379 CD1 PHE A 25 1.437 9.586 2.459 1.00 0.00 C ATOM 380 CD2 PHE A 25 2.461 7.992 1.011 1.00 0.00 C ATOM 381 CE1 PHE A 25 1.611 10.569 1.504 1.00 0.00 C ATOM 382 CE2 PHE A 25 2.637 8.971 0.052 1.00 0.00 C ATOM 383 CZ PHE A 25 2.213 10.262 0.300 1.00 0.00 C ATOM 0 H PHE A 25 -0.684 8.224 4.349 1.00 0.00 H new ATOM 0 HA PHE A 25 0.038 6.143 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.920 7.630 4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.367 6.407 3.071 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.967 9.833 3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.797 6.985 0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.276 11.577 1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.105 8.727 -0.890 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.352 11.030 -0.447 1.00 0.00 H new ATOM 393 N ILE A 26 0.391 4.392 4.156 1.00 0.00 N ATOM 394 CA ILE A 26 0.307 3.337 5.160 1.00 0.00 C ATOM 395 C ILE A 26 1.142 2.126 4.756 1.00 0.00 C ATOM 396 O ILE A 26 0.853 1.463 3.760 1.00 0.00 O ATOM 397 CB ILE A 26 -1.149 2.891 5.386 1.00 0.00 C ATOM 398 CG1 ILE A 26 -1.197 1.706 6.353 1.00 0.00 C ATOM 399 CG2 ILE A 26 -1.803 2.525 4.061 1.00 0.00 C ATOM 400 CD1 ILE A 26 -0.561 1.995 7.695 1.00 0.00 C ATOM 0 H ILE A 26 0.672 4.071 3.230 1.00 0.00 H new ATOM 0 HA ILE A 26 0.699 3.752 6.088 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.703 3.720 5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.236 1.415 6.508 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.692 0.854 5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.832 2.212 4.237 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.796 3.392 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.250 1.709 3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.631 1.111 8.329 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.487 2.256 7.552 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.080 2.826 8.172 1.00 0.00 H new ATOM 412 N LYS A 27 2.179 1.843 5.537 1.00 0.00 N ATOM 413 CA LYS A 27 3.056 0.709 5.265 1.00 0.00 C ATOM 414 C LYS A 27 2.296 -0.607 5.389 1.00 0.00 C ATOM 415 O LYS A 27 1.884 -0.996 6.483 1.00 0.00 O ATOM 416 CB LYS A 27 4.246 0.717 6.226 1.00 0.00 C ATOM 417 CG LYS A 27 5.317 -0.301 5.876 1.00 0.00 C ATOM 418 CD LYS A 27 6.059 -0.779 7.113 1.00 0.00 C ATOM 419 CE LYS A 27 7.062 0.257 7.597 1.00 0.00 C ATOM 420 NZ LYS A 27 8.447 -0.063 7.153 1.00 0.00 N ATOM 0 H LYS A 27 2.433 2.383 6.364 1.00 0.00 H new ATOM 0 HA LYS A 27 3.423 0.801 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.691 1.712 6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.887 0.522 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.860 -1.153 5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.025 0.141 5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.344 -0.993 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.577 -1.712 6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.778 1.240 7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.033 0.310 8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.101 0.666 7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.728 -0.990 7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.481 -0.089 6.114 1.00 0.00 H new ATOM 434 N CYS A 28 2.117 -1.289 4.264 1.00 0.00 N ATOM 435 CA CYS A 28 1.408 -2.564 4.248 1.00 0.00 C ATOM 436 C CYS A 28 1.985 -3.521 5.285 1.00 0.00 C ATOM 437 O CYS A 28 3.158 -3.444 5.652 1.00 0.00 O ATOM 438 CB CYS A 28 1.482 -3.196 2.857 1.00 0.00 C ATOM 439 SG CYS A 28 0.914 -2.114 1.524 1.00 0.00 S ATOM 0 H CYS A 28 2.453 -0.981 3.351 1.00 0.00 H new ATOM 0 HA CYS A 28 0.364 -2.373 4.497 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.512 -3.490 2.658 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.884 -4.107 2.851 1.00 0.00 H new ATOM 0 HG CYS A 28 1.922 -1.789 0.770 1.00 0.00 H new ATOM 445 N PRO A 29 1.143 -4.445 5.772 1.00 0.00 N ATOM 446 CA PRO A 29 1.548 -5.434 6.775 1.00 0.00 C ATOM 447 C PRO A 29 2.514 -6.470 6.211 1.00 0.00 C ATOM 448 O PRO A 29 2.134 -7.612 5.952 1.00 0.00 O ATOM 449 CB PRO A 29 0.226 -6.096 7.174 1.00 0.00 C ATOM 450 CG PRO A 29 -0.661 -5.912 5.992 1.00 0.00 C ATOM 451 CD PRO A 29 -0.268 -4.595 5.380 1.00 0.00 C ATOM 0 HA PRO A 29 2.079 -4.975 7.609 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.366 -7.152 7.404 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.198 -5.630 8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.535 -6.727 5.279 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.710 -5.907 6.288 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.385 -4.604 4.296 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.880 -3.777 5.760 1.00 0.00 H new ATOM 459 N LYS A 30 3.766 -6.065 6.023 1.00 0.00 N ATOM 460 CA LYS A 30 4.788 -6.959 5.491 1.00 0.00 C ATOM 461 C LYS A 30 6.141 -6.684 6.139 1.00 0.00 C ATOM 462 O LYS A 30 7.066 -6.201 5.485 1.00 0.00 O ATOM 463 CB LYS A 30 4.895 -6.798 3.973 1.00 0.00 C ATOM 464 CG LYS A 30 3.557 -6.872 3.257 1.00 0.00 C ATOM 465 CD LYS A 30 2.997 -8.285 3.268 1.00 0.00 C ATOM 466 CE LYS A 30 1.479 -8.283 3.178 1.00 0.00 C ATOM 467 NZ LYS A 30 0.994 -9.009 1.971 1.00 0.00 N ATOM 0 H LYS A 30 4.097 -5.123 6.231 1.00 0.00 H new ATOM 0 HA LYS A 30 4.496 -7.983 5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.364 -5.840 3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.552 -7.574 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.849 -6.195 3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.675 -6.534 2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.411 -8.848 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.308 -8.794 4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.062 -8.746 4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.118 -7.255 3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.150 -8.532 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.740 -9.015 1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.753 -9.987 2.228 1.00 0.00 H new ATOM 481 N PHE A 31 6.250 -6.997 7.426 1.00 0.00 N ATOM 482 CA PHE A 31 7.491 -6.783 8.162 1.00 0.00 C ATOM 483 C PHE A 31 8.318 -8.065 8.217 1.00 0.00 C ATOM 484 O PHE A 31 8.195 -8.856 9.152 1.00 0.00 O ATOM 485 CB PHE A 31 7.190 -6.295 9.580 1.00 0.00 C ATOM 486 CG PHE A 31 5.956 -6.909 10.177 1.00 0.00 C ATOM 487 CD1 PHE A 31 6.034 -8.088 10.900 1.00 0.00 C ATOM 488 CD2 PHE A 31 4.720 -6.307 10.013 1.00 0.00 C ATOM 489 CE1 PHE A 31 4.899 -8.656 11.449 1.00 0.00 C ATOM 490 CE2 PHE A 31 3.582 -6.870 10.561 1.00 0.00 C ATOM 491 CZ PHE A 31 3.672 -8.046 11.280 1.00 0.00 C ATOM 0 H PHE A 31 5.495 -7.399 7.981 1.00 0.00 H new ATOM 0 HA PHE A 31 8.069 -6.021 7.639 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.043 -6.518 10.221 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.076 -5.211 9.566 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.991 -8.569 11.036 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.644 -5.388 9.451 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.972 -9.576 12.010 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.624 -6.391 10.427 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.785 -8.487 11.709 1.00 0.00 H new ATOM 501 N ASP A 32 9.158 -8.264 7.207 1.00 0.00 N ATOM 502 CA ASP A 32 10.006 -9.449 7.141 1.00 0.00 C ATOM 503 C ASP A 32 9.162 -10.714 7.013 1.00 0.00 C ATOM 504 O ASP A 32 9.107 -11.529 7.933 1.00 0.00 O ATOM 505 CB ASP A 32 10.896 -9.537 8.381 1.00 0.00 C ATOM 506 CG ASP A 32 12.155 -10.343 8.133 1.00 0.00 C ATOM 507 OD1 ASP A 32 12.940 -9.960 7.241 1.00 0.00 O ATOM 508 OD2 ASP A 32 12.357 -11.357 8.834 1.00 0.00 O ATOM 0 H ASP A 32 9.270 -7.621 6.423 1.00 0.00 H new ATOM 0 HA ASP A 32 10.638 -9.364 6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.169 -8.531 8.701 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.333 -9.990 9.197 1.00 0.00 H new ATOM 513 N ASN A 33 8.505 -10.869 5.869 1.00 0.00 N ATOM 514 CA ASN A 33 7.663 -12.034 5.622 1.00 0.00 C ATOM 515 C ASN A 33 7.382 -12.197 4.131 1.00 0.00 C ATOM 516 O ASN A 33 7.552 -13.280 3.571 1.00 0.00 O ATOM 517 CB ASN A 33 6.346 -11.907 6.389 1.00 0.00 C ATOM 518 CG ASN A 33 5.856 -13.240 6.921 1.00 0.00 C ATOM 519 OD1 ASN A 33 6.634 -14.032 7.455 1.00 0.00 O ATOM 520 ND2 ASN A 33 4.560 -13.495 6.777 1.00 0.00 N ATOM 0 H ASN A 33 8.539 -10.202 5.098 1.00 0.00 H new ATOM 0 HA ASN A 33 8.197 -12.918 5.971 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.478 -11.214 7.220 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.587 -11.479 5.734 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.173 -14.376 7.115 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.952 -12.810 6.328 1.00 0.00 H new ATOM 527 N LYS A 34 6.954 -11.113 3.494 1.00 0.00 N ATOM 528 CA LYS A 34 6.651 -11.134 2.067 1.00 0.00 C ATOM 529 C LYS A 34 6.255 -9.746 1.575 1.00 0.00 C ATOM 530 O LYS A 34 5.184 -9.563 0.997 1.00 0.00 O ATOM 531 CB LYS A 34 5.526 -12.130 1.778 1.00 0.00 C ATOM 532 CG LYS A 34 5.637 -12.794 0.417 1.00 0.00 C ATOM 533 CD LYS A 34 4.353 -12.643 -0.384 1.00 0.00 C ATOM 534 CE LYS A 34 3.358 -13.744 -0.054 1.00 0.00 C ATOM 535 NZ LYS A 34 1.956 -13.244 -0.064 1.00 0.00 N ATOM 0 H LYS A 34 6.809 -10.209 3.943 1.00 0.00 H new ATOM 0 HA LYS A 34 7.549 -11.446 1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.526 -12.900 2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.569 -11.613 1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.466 -12.354 -0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.865 -13.852 0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.905 -11.672 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.583 -12.666 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.460 -14.554 -0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.588 -14.160 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.308 -14.024 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.852 -12.488 0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.727 -12.870 -1.007 1.00 0.00 H new ATOM 549 N LYS A 35 7.126 -8.770 1.807 1.00 0.00 N ATOM 550 CA LYS A 35 6.869 -7.397 1.385 1.00 0.00 C ATOM 551 C LYS A 35 7.168 -7.220 -0.100 1.00 0.00 C ATOM 552 O LYS A 35 7.660 -8.137 -0.758 1.00 0.00 O ATOM 553 CB LYS A 35 7.715 -6.423 2.207 1.00 0.00 C ATOM 554 CG LYS A 35 9.186 -6.797 2.269 1.00 0.00 C ATOM 555 CD LYS A 35 10.079 -5.584 2.066 1.00 0.00 C ATOM 556 CE LYS A 35 11.146 -5.491 3.146 1.00 0.00 C ATOM 557 NZ LYS A 35 11.759 -4.135 3.204 1.00 0.00 N ATOM 0 H LYS A 35 8.017 -8.904 2.285 1.00 0.00 H new ATOM 0 HA LYS A 35 5.814 -7.182 1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.620 -5.424 1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.318 -6.376 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.406 -7.254 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.405 -7.543 1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.555 -5.641 1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.472 -4.679 2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.706 -5.732 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.922 -6.233 2.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.481 -4.112 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.201 -3.915 2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.023 -3.430 3.411 1.00 0.00 H new ATOM 571 N CYS A 36 6.870 -6.036 -0.621 1.00 0.00 N ATOM 572 CA CYS A 36 7.107 -5.737 -2.029 1.00 0.00 C ATOM 573 C CYS A 36 8.542 -6.077 -2.422 1.00 0.00 C ATOM 574 O CYS A 36 9.457 -5.997 -1.602 1.00 0.00 O ATOM 575 CB CYS A 36 6.823 -4.263 -2.315 1.00 0.00 C ATOM 576 SG CYS A 36 6.864 -3.829 -4.070 1.00 0.00 S ATOM 0 H CYS A 36 6.463 -5.266 -0.090 1.00 0.00 H new ATOM 0 HA CYS A 36 6.430 -6.351 -2.624 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.843 -4.008 -1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.554 -3.654 -1.784 1.00 0.00 H new ATOM 0 HG CYS A 36 7.965 -3.190 -4.333 1.00 0.00 H new ATOM 582 N THR A 37 8.730 -6.456 -3.682 1.00 0.00 N ATOM 583 CA THR A 37 10.052 -6.811 -4.184 1.00 0.00 C ATOM 584 C THR A 37 10.297 -6.209 -5.563 1.00 0.00 C ATOM 585 O THR A 37 10.881 -6.850 -6.437 1.00 0.00 O ATOM 586 CB THR A 37 10.232 -8.339 -4.263 1.00 0.00 C ATOM 587 OG1 THR A 37 9.161 -8.920 -5.016 1.00 0.00 O ATOM 588 CG2 THR A 37 10.271 -8.952 -2.872 1.00 0.00 C ATOM 0 H THR A 37 7.984 -6.525 -4.374 1.00 0.00 H new ATOM 0 HA THR A 37 10.777 -6.404 -3.479 1.00 0.00 H new ATOM 0 HB THR A 37 11.180 -8.546 -4.760 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.284 -9.891 -5.063 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.399 -10.031 -2.954 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.105 -8.529 -2.311 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.338 -8.735 -2.353 1.00 0.00 H new ATOM 596 N LYS A 38 9.847 -4.973 -5.752 1.00 0.00 N ATOM 597 CA LYS A 38 10.018 -4.283 -7.025 1.00 0.00 C ATOM 598 C LYS A 38 9.459 -2.865 -6.955 1.00 0.00 C ATOM 599 O LYS A 38 8.921 -2.450 -5.928 1.00 0.00 O ATOM 600 CB LYS A 38 9.327 -5.060 -8.147 1.00 0.00 C ATOM 601 CG LYS A 38 10.294 -5.736 -9.104 1.00 0.00 C ATOM 602 CD LYS A 38 9.749 -5.760 -10.523 1.00 0.00 C ATOM 603 CE LYS A 38 10.860 -5.592 -11.549 1.00 0.00 C ATOM 604 NZ LYS A 38 11.108 -6.850 -12.308 1.00 0.00 N ATOM 0 H LYS A 38 9.361 -4.429 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 38 11.086 -4.224 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.677 -5.816 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.689 -4.379 -8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.249 -5.211 -9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.485 -6.756 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.229 -6.702 -10.699 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.015 -4.963 -10.646 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.596 -4.795 -12.244 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.776 -5.285 -11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.872 -6.695 -12.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.385 -7.605 -11.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.241 -7.130 -12.809 1.00 0.00 H new ATOM 618 N ASP A 39 9.589 -2.128 -8.052 1.00 0.00 N ATOM 619 CA ASP A 39 9.094 -0.758 -8.115 1.00 0.00 C ATOM 620 C ASP A 39 7.657 -0.723 -8.625 1.00 0.00 C ATOM 621 O ASP A 39 7.376 -1.137 -9.749 1.00 0.00 O ATOM 622 CB ASP A 39 9.989 0.089 -9.021 1.00 0.00 C ATOM 623 CG ASP A 39 11.139 0.726 -8.265 1.00 0.00 C ATOM 624 OD1 ASP A 39 10.875 1.445 -7.277 1.00 0.00 O ATOM 625 OD2 ASP A 39 12.303 0.508 -8.661 1.00 0.00 O ATOM 0 H ASP A 39 10.033 -2.456 -8.910 1.00 0.00 H new ATOM 0 HA ASP A 39 9.114 -0.344 -7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.386 -0.535 -9.822 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.391 0.869 -9.492 1.00 0.00 H new ATOM 630 N ASN A 40 6.750 -0.226 -7.789 1.00 0.00 N ATOM 631 CA ASN A 40 5.341 -0.139 -8.154 1.00 0.00 C ATOM 632 C ASN A 40 4.809 -1.497 -8.602 1.00 0.00 C ATOM 633 O ASN A 40 4.531 -1.707 -9.783 1.00 0.00 O ATOM 634 CB ASN A 40 5.145 0.892 -9.269 1.00 0.00 C ATOM 635 CG ASN A 40 4.852 2.279 -8.729 1.00 0.00 C ATOM 636 OD1 ASN A 40 3.774 2.829 -8.951 1.00 0.00 O ATOM 637 ND2 ASN A 40 5.815 2.850 -8.015 1.00 0.00 N ATOM 0 H ASN A 40 6.966 0.122 -6.855 1.00 0.00 H new ATOM 0 HA ASN A 40 4.782 0.177 -7.273 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.041 0.928 -9.888 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.325 0.575 -9.913 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.676 3.782 -7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.693 2.356 -7.856 1.00 0.00 H new ATOM 644 N ASN A 41 4.671 -2.415 -7.652 1.00 0.00 N ATOM 645 CA ASN A 41 4.172 -3.753 -7.949 1.00 0.00 C ATOM 646 C ASN A 41 2.651 -3.754 -8.069 1.00 0.00 C ATOM 647 O ASN A 41 2.104 -3.688 -9.169 1.00 0.00 O ATOM 648 CB ASN A 41 4.610 -4.736 -6.860 1.00 0.00 C ATOM 649 CG ASN A 41 5.842 -5.526 -7.257 1.00 0.00 C ATOM 650 OD1 ASN A 41 6.439 -5.282 -8.306 1.00 0.00 O ATOM 651 ND2 ASN A 41 6.228 -6.480 -6.417 1.00 0.00 N ATOM 0 H ASN A 41 4.897 -2.258 -6.670 1.00 0.00 H new ATOM 0 HA ASN A 41 4.593 -4.067 -8.904 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.814 -4.188 -5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.793 -5.425 -6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.050 -7.045 -6.630 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.703 -6.647 -5.559 1.00 0.00 H new ATOM 658 N LYS A 42 1.974 -3.827 -6.927 1.00 0.00 N ATOM 659 CA LYS A 42 0.517 -3.834 -6.902 1.00 0.00 C ATOM 660 C LYS A 42 -0.002 -3.982 -5.475 1.00 0.00 C ATOM 661 O LYS A 42 0.270 -4.979 -4.805 1.00 0.00 O ATOM 662 CB LYS A 42 -0.024 -4.971 -7.772 1.00 0.00 C ATOM 663 CG LYS A 42 -1.488 -5.289 -7.517 1.00 0.00 C ATOM 664 CD LYS A 42 -2.190 -5.735 -8.788 1.00 0.00 C ATOM 665 CE LYS A 42 -3.645 -6.093 -8.524 1.00 0.00 C ATOM 666 NZ LYS A 42 -4.465 -6.038 -9.766 1.00 0.00 N ATOM 0 H LYS A 42 2.412 -3.882 -6.007 1.00 0.00 H new ATOM 0 HA LYS A 42 0.168 -2.882 -7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.104 -4.707 -8.822 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.570 -5.867 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.565 -6.073 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.988 -4.408 -7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.139 -4.940 -9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.672 -6.597 -9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.701 -7.094 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.059 -5.407 -7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.450 -6.288 -9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.433 -5.076 -10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.086 -6.711 -10.462 1.00 0.00 H new ATOM 680 N CYS A 43 -0.750 -2.984 -5.017 1.00 0.00 N ATOM 681 CA CYS A 43 -1.307 -3.004 -3.668 1.00 0.00 C ATOM 682 C CYS A 43 -2.673 -2.326 -3.636 1.00 0.00 C ATOM 683 O CYS A 43 -3.042 -1.602 -4.560 1.00 0.00 O ATOM 684 CB CYS A 43 -0.357 -2.311 -2.691 1.00 0.00 C ATOM 685 SG CYS A 43 1.300 -3.032 -2.637 1.00 0.00 S ATOM 0 H CYS A 43 -0.985 -2.152 -5.558 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.430 -4.044 -3.366 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.275 -1.259 -2.965 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -0.790 -2.348 -1.692 1.00 0.00 H new ATOM 0 HG CYS A 43 2.113 -2.207 -2.047 1.00 0.00 H new ATOM 691 N THR A 44 -3.421 -2.566 -2.562 1.00 0.00 N ATOM 692 CA THR A 44 -4.748 -1.981 -2.410 1.00 0.00 C ATOM 693 C THR A 44 -5.127 -1.857 -0.938 1.00 0.00 C ATOM 694 O THR A 44 -5.264 -2.858 -0.235 1.00 0.00 O ATOM 695 CB THR A 44 -5.817 -2.819 -3.135 1.00 0.00 C ATOM 696 OG1 THR A 44 -5.626 -4.210 -2.851 1.00 0.00 O ATOM 697 CG2 THR A 44 -5.758 -2.590 -4.637 1.00 0.00 C ATOM 0 H THR A 44 -3.130 -3.161 -1.786 1.00 0.00 H new ATOM 0 HA THR A 44 -4.710 -0.988 -2.858 1.00 0.00 H new ATOM 0 HB THR A 44 -6.797 -2.507 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.311 -4.736 -3.315 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.523 -3.193 -5.127 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.934 -1.536 -4.852 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.775 -2.877 -5.010 1.00 0.00 H new ATOM 705 N VAL A 45 -5.296 -0.622 -0.478 1.00 0.00 N ATOM 706 CA VAL A 45 -5.661 -0.366 0.910 1.00 0.00 C ATOM 707 C VAL A 45 -7.174 -0.396 1.095 1.00 0.00 C ATOM 708 O VAL A 45 -7.924 0.081 0.242 1.00 0.00 O ATOM 709 CB VAL A 45 -5.124 0.995 1.392 1.00 0.00 C ATOM 710 CG1 VAL A 45 -5.786 1.399 2.699 1.00 0.00 C ATOM 711 CG2 VAL A 45 -3.611 0.946 1.543 1.00 0.00 C ATOM 0 H VAL A 45 -5.186 0.218 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.208 -1.158 1.506 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.368 1.748 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.393 2.363 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.863 1.477 2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.577 0.648 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.248 1.915 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.343 0.181 2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.157 0.706 0.581 1.00 0.00 H new ATOM 721 N ASP A 46 -7.617 -0.960 2.213 1.00 0.00 N ATOM 722 CA ASP A 46 -9.043 -1.051 2.510 1.00 0.00 C ATOM 723 C ASP A 46 -9.386 -0.264 3.771 1.00 0.00 C ATOM 724 O ASP A 46 -9.006 -0.647 4.878 1.00 0.00 O ATOM 725 CB ASP A 46 -9.457 -2.514 2.679 1.00 0.00 C ATOM 726 CG ASP A 46 -10.959 -2.680 2.797 1.00 0.00 C ATOM 727 OD1 ASP A 46 -11.667 -1.653 2.837 1.00 0.00 O ATOM 728 OD2 ASP A 46 -11.427 -3.837 2.851 1.00 0.00 O ATOM 0 H ASP A 46 -7.010 -1.361 2.928 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.592 -0.620 1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.096 -3.091 1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.978 -2.924 3.568 1.00 0.00 H new ATOM 733 N THR A 47 -10.105 0.839 3.596 1.00 0.00 N ATOM 734 CA THR A 47 -10.498 1.682 4.719 1.00 0.00 C ATOM 735 C THR A 47 -11.516 0.976 5.607 1.00 0.00 C ATOM 736 O THR A 47 -11.805 1.427 6.716 1.00 0.00 O ATOM 737 CB THR A 47 -11.094 3.018 4.237 1.00 0.00 C ATOM 738 OG1 THR A 47 -11.615 2.872 2.911 1.00 0.00 O ATOM 739 CG2 THR A 47 -10.043 4.118 4.256 1.00 0.00 C ATOM 0 H THR A 47 -10.428 1.170 2.687 1.00 0.00 H new ATOM 0 HA THR A 47 -9.594 1.882 5.295 1.00 0.00 H new ATOM 0 HB THR A 47 -11.901 3.296 4.915 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.132 3.670 2.673 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.487 5.052 3.912 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.670 4.247 5.272 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.218 3.844 3.598 1.00 0.00 H new ATOM 747 N TYR A 48 -12.055 -0.133 5.114 1.00 0.00 N ATOM 748 CA TYR A 48 -13.043 -0.901 5.863 1.00 0.00 C ATOM 749 C TYR A 48 -12.540 -1.210 7.270 1.00 0.00 C ATOM 750 O TYR A 48 -13.199 -0.894 8.260 1.00 0.00 O ATOM 751 CB TYR A 48 -13.371 -2.202 5.129 1.00 0.00 C ATOM 752 CG TYR A 48 -14.197 -3.168 5.949 1.00 0.00 C ATOM 753 CD1 TYR A 48 -15.507 -2.868 6.300 1.00 0.00 C ATOM 754 CD2 TYR A 48 -13.667 -4.381 6.371 1.00 0.00 C ATOM 755 CE1 TYR A 48 -16.264 -3.747 7.050 1.00 0.00 C ATOM 756 CE2 TYR A 48 -14.418 -5.267 7.120 1.00 0.00 C ATOM 757 CZ TYR A 48 -15.715 -4.945 7.457 1.00 0.00 C ATOM 758 OH TYR A 48 -16.467 -5.824 8.203 1.00 0.00 O ATOM 0 H TYR A 48 -11.825 -0.521 4.199 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.948 -0.300 5.945 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -13.909 -1.966 4.211 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.441 -2.689 4.837 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -15.941 -1.932 5.981 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.651 -4.636 6.109 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.280 -3.497 7.316 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.991 -6.206 7.439 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.933 -6.620 8.407 1.00 0.00 H new ATOM 768 N ASN A 49 -11.367 -1.830 7.349 1.00 0.00 N ATOM 769 CA ASN A 49 -10.774 -2.182 8.633 1.00 0.00 C ATOM 770 C ASN A 49 -9.251 -2.194 8.544 1.00 0.00 C ATOM 771 O ASN A 49 -8.592 -3.060 9.119 1.00 0.00 O ATOM 772 CB ASN A 49 -11.279 -3.550 9.094 1.00 0.00 C ATOM 773 CG ASN A 49 -11.073 -4.626 8.045 1.00 0.00 C ATOM 774 OD1 ASN A 49 -10.407 -4.404 7.035 1.00 0.00 O ATOM 775 ND2 ASN A 49 -11.647 -5.800 8.282 1.00 0.00 N ATOM 0 H ASN A 49 -10.809 -2.099 6.539 1.00 0.00 H new ATOM 0 HA ASN A 49 -11.072 -1.428 9.361 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.762 -3.836 10.010 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.340 -3.480 9.336 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.544 -6.562 7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.191 -5.939 9.134 1.00 0.00 H new ATOM 782 N ASN A 50 -8.697 -1.226 7.820 1.00 0.00 N ATOM 783 CA ASN A 50 -7.252 -1.126 7.656 1.00 0.00 C ATOM 784 C ASN A 50 -6.666 -2.450 7.177 1.00 0.00 C ATOM 785 O ASN A 50 -5.809 -3.036 7.839 1.00 0.00 O ATOM 786 CB ASN A 50 -6.596 -0.711 8.974 1.00 0.00 C ATOM 787 CG ASN A 50 -6.551 0.795 9.150 1.00 0.00 C ATOM 788 OD1 ASN A 50 -6.969 1.324 10.179 1.00 0.00 O ATOM 789 ND2 ASN A 50 -6.042 1.492 8.141 1.00 0.00 N ATOM 0 H ASN A 50 -9.227 -0.500 7.338 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.048 -0.366 6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.144 -1.155 9.805 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.582 -1.109 9.013 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.986 2.509 8.201 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.707 1.011 7.306 1.00 0.00 H new ATOM 796 N ALA A 51 -7.132 -2.915 6.023 1.00 0.00 N ATOM 797 CA ALA A 51 -6.652 -4.168 5.454 1.00 0.00 C ATOM 798 C ALA A 51 -6.114 -3.960 4.043 1.00 0.00 C ATOM 799 O ALA A 51 -6.836 -4.131 3.060 1.00 0.00 O ATOM 800 CB ALA A 51 -7.765 -5.206 5.448 1.00 0.00 C ATOM 0 H ALA A 51 -7.842 -2.442 5.463 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.834 -4.531 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.392 -6.137 5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.101 -5.385 6.469 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.600 -4.841 4.850 1.00 0.00 H new ATOM 806 N VAL A 52 -4.840 -3.590 3.949 1.00 0.00 N ATOM 807 CA VAL A 52 -4.204 -3.358 2.657 1.00 0.00 C ATOM 808 C VAL A 52 -3.616 -4.647 2.095 1.00 0.00 C ATOM 809 O VAL A 52 -3.157 -5.510 2.845 1.00 0.00 O ATOM 810 CB VAL A 52 -3.089 -2.300 2.762 1.00 0.00 C ATOM 811 CG1 VAL A 52 -2.029 -2.740 3.758 1.00 0.00 C ATOM 812 CG2 VAL A 52 -2.474 -2.039 1.395 1.00 0.00 C ATOM 0 H VAL A 52 -4.228 -3.445 4.752 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.979 -2.992 1.984 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.526 -1.369 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.250 -1.981 3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.484 -2.872 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.592 -3.683 3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.688 -1.289 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.049 -2.964 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.243 -1.677 0.713 1.00 0.00 H new ATOM 822 N ASP A 53 -3.632 -4.771 0.773 1.00 0.00 N ATOM 823 CA ASP A 53 -3.098 -5.955 0.110 1.00 0.00 C ATOM 824 C ASP A 53 -1.795 -5.631 -0.614 1.00 0.00 C ATOM 825 O ASP A 53 -1.471 -4.464 -0.838 1.00 0.00 O ATOM 826 CB ASP A 53 -4.120 -6.515 -0.881 1.00 0.00 C ATOM 827 CG ASP A 53 -3.687 -7.844 -1.471 1.00 0.00 C ATOM 828 OD1 ASP A 53 -3.478 -8.798 -0.693 1.00 0.00 O ATOM 829 OD2 ASP A 53 -3.558 -7.928 -2.709 1.00 0.00 O ATOM 0 H ASP A 53 -4.009 -4.066 0.139 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.892 -6.706 0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.079 -6.639 -0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.273 -5.796 -1.686 1.00 0.00 H new ATOM 834 N CYS A 54 -1.051 -6.670 -0.976 1.00 0.00 N ATOM 835 CA CYS A 54 0.219 -6.497 -1.673 1.00 0.00 C ATOM 836 C CYS A 54 0.434 -7.607 -2.696 1.00 0.00 C ATOM 837 O CYS A 54 -0.098 -8.709 -2.552 1.00 0.00 O ATOM 838 CB CYS A 54 1.375 -6.476 -0.673 1.00 0.00 C ATOM 839 SG CYS A 54 2.953 -5.952 -1.380 1.00 0.00 S ATOM 0 H CYS A 54 -1.305 -7.642 -0.798 1.00 0.00 H new ATOM 0 HA CYS A 54 0.188 -5.544 -2.201 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.118 -5.808 0.149 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.492 -7.473 -0.249 1.00 0.00 H new ATOM 0 HG CYS A 54 2.793 -4.828 -2.014 1.00 0.00 H new ATOM 845 N ASP A 55 1.215 -7.311 -3.728 1.00 0.00 N ATOM 846 CA ASP A 55 1.501 -8.284 -4.776 1.00 0.00 C ATOM 847 C ASP A 55 2.606 -9.241 -4.341 1.00 0.00 C ATOM 848 O ASP A 55 2.873 -10.240 -5.010 1.00 0.00 O ATOM 849 CB ASP A 55 1.906 -7.572 -6.067 1.00 0.00 C ATOM 850 CG ASP A 55 1.307 -8.221 -7.299 1.00 0.00 C ATOM 851 OD1 ASP A 55 0.079 -8.452 -7.310 1.00 0.00 O ATOM 852 OD2 ASP A 55 2.065 -8.497 -8.252 1.00 0.00 O ATOM 0 H ASP A 55 1.662 -6.404 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 55 0.595 -8.861 -4.958 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.589 -6.530 -6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.993 -7.571 -6.152 1.00 0.00 H new TER 857 ASP A 55