USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 483 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD Single : A 1 LEU N :NH3+ 139:sc= 1.15 (180deg=-0.446) USER MOD Single : A 2 THR OG1 : rot -73:sc= -0.0198 USER MOD Single : A 4 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.665 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 21 THR OG1 : rot -51:sc= 1.23 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 33 THR OG1 : rot 84:sc= 1.09 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0404 USER MOD Single : A 48 THR OG1 : rot 82:sc= 1.22 USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= 0.85 (180deg=-0.475) USER MOD Single : A 51 SER OG : rot 82:sc= 1.16 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0204 (180deg=-0.239) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.052 -3.223 0.887 1.00 0.00 N ATOM 2 CA LEU A 1 4.764 -3.897 0.873 1.00 0.00 C ATOM 3 C LEU A 1 4.930 -5.345 0.488 1.00 0.00 C ATOM 4 O LEU A 1 4.561 -6.236 1.240 1.00 0.00 O ATOM 5 CB LEU A 1 3.807 -3.223 -0.113 1.00 0.00 C ATOM 6 CG LEU A 1 3.285 -1.835 0.251 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.544 -1.257 -0.925 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.357 -1.907 1.447 1.00 0.00 C ATOM 0 H1 LEU A 1 5.953 -2.275 0.470 1.00 0.00 H new ATOM 0 HA LEU A 1 4.346 -3.833 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.312 -3.151 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.948 -3.880 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 1 4.132 -1.199 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.170 -0.266 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.218 -1.181 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.706 -1.905 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.997 -0.907 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.509 -2.551 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.896 -2.315 2.302 1.00 0.00 H new ATOM 20 N THR A 2 5.534 -5.569 -0.655 1.00 0.00 N ATOM 21 CA THR A 2 5.757 -6.899 -1.177 1.00 0.00 C ATOM 22 C THR A 2 6.519 -7.764 -0.177 1.00 0.00 C ATOM 23 O THR A 2 6.089 -8.888 0.119 1.00 0.00 O ATOM 24 CB THR A 2 6.502 -6.814 -2.535 1.00 0.00 C ATOM 25 OG1 THR A 2 5.666 -6.206 -3.530 1.00 0.00 O ATOM 26 CG2 THR A 2 7.002 -8.161 -3.013 1.00 0.00 C ATOM 0 H THR A 2 5.889 -4.825 -1.256 1.00 0.00 H new ATOM 0 HA THR A 2 4.791 -7.376 -1.342 1.00 0.00 H new ATOM 0 HB THR A 2 7.381 -6.190 -2.375 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.961 -6.834 -3.794 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.515 -8.041 -3.967 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.694 -8.574 -2.279 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.158 -8.839 -3.138 1.00 0.00 H new ATOM 34 N ALA A 3 7.571 -7.197 0.384 1.00 0.00 N ATOM 35 CA ALA A 3 8.437 -7.885 1.330 1.00 0.00 C ATOM 36 C ALA A 3 7.691 -8.324 2.588 1.00 0.00 C ATOM 37 O ALA A 3 7.737 -9.497 2.977 1.00 0.00 O ATOM 38 CB ALA A 3 9.601 -6.983 1.714 1.00 0.00 C ATOM 0 H ALA A 3 7.853 -6.235 0.195 1.00 0.00 H new ATOM 0 HA ALA A 3 8.806 -8.785 0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.246 -7.503 2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.173 -6.728 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.219 -6.071 2.173 1.00 0.00 H new ATOM 44 N ASN A 4 6.967 -7.405 3.182 1.00 0.00 N ATOM 45 CA ASN A 4 6.330 -7.650 4.468 1.00 0.00 C ATOM 46 C ASN A 4 5.011 -8.356 4.336 1.00 0.00 C ATOM 47 O ASN A 4 4.705 -9.253 5.120 1.00 0.00 O ATOM 48 CB ASN A 4 6.162 -6.356 5.277 1.00 0.00 C ATOM 49 CG ASN A 4 7.483 -5.780 5.756 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.970 -6.119 6.833 1.00 0.00 O ATOM 51 ND2 ASN A 4 8.069 -4.920 4.975 1.00 0.00 N ATOM 0 H ASN A 4 6.800 -6.475 2.799 1.00 0.00 H new ATOM 0 HA ASN A 4 7.003 -8.312 5.012 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.650 -5.615 4.664 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.524 -6.553 6.139 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.960 -4.506 5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.638 -4.660 4.088 1.00 0.00 H new ATOM 58 N LEU A 5 4.233 -7.988 3.348 1.00 0.00 N ATOM 59 CA LEU A 5 2.925 -8.586 3.169 1.00 0.00 C ATOM 60 C LEU A 5 3.054 -9.924 2.480 1.00 0.00 C ATOM 61 O LEU A 5 2.230 -10.809 2.683 1.00 0.00 O ATOM 62 CB LEU A 5 2.047 -7.674 2.328 1.00 0.00 C ATOM 63 CG LEU A 5 1.844 -6.259 2.854 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.204 -5.416 1.788 1.00 0.00 C ATOM 65 CD2 LEU A 5 0.982 -6.267 4.099 1.00 0.00 C ATOM 0 H LEU A 5 4.478 -7.280 2.656 1.00 0.00 H new ATOM 0 HA LEU A 5 2.471 -8.726 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.479 -7.609 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.069 -8.143 2.222 1.00 0.00 H new ATOM 0 HG LEU A 5 2.815 -5.839 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.058 -4.403 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.849 -5.388 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.239 -5.844 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.850 -5.246 4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.008 -6.698 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.466 -6.863 4.873 1.00 0.00 H new ATOM 77 N GLY A 6 4.106 -10.078 1.680 1.00 0.00 N ATOM 78 CA GLY A 6 4.310 -11.336 0.994 1.00 0.00 C ATOM 79 C GLY A 6 3.411 -11.413 -0.201 1.00 0.00 C ATOM 80 O GLY A 6 2.810 -12.460 -0.502 1.00 0.00 O ATOM 0 H GLY A 6 4.810 -9.363 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.351 -11.427 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.105 -12.167 1.669 1.00 0.00 H new ATOM 84 N ILE A 7 3.316 -10.306 -0.884 1.00 0.00 N ATOM 85 CA ILE A 7 2.434 -10.175 -2.020 1.00 0.00 C ATOM 86 C ILE A 7 3.250 -10.010 -3.273 1.00 0.00 C ATOM 87 O ILE A 7 4.481 -9.974 -3.210 1.00 0.00 O ATOM 88 CB ILE A 7 1.456 -8.976 -1.876 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.223 -7.652 -1.693 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.480 -9.215 -0.727 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.340 -6.422 -1.663 1.00 0.00 C ATOM 0 H ILE A 7 3.849 -9.463 -0.671 1.00 0.00 H new ATOM 0 HA ILE A 7 1.833 -11.083 -2.073 1.00 0.00 H new ATOM 0 HB ILE A 7 0.879 -8.894 -2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.792 -7.700 -0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.944 -7.548 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.197 -8.365 -0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.096 -10.120 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.035 -9.332 0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.958 -5.534 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.790 -6.346 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.635 -6.500 -0.835 1.00 0.00 H new ATOM 103 N SER A 8 2.596 -9.922 -4.392 1.00 0.00 N ATOM 104 CA SER A 8 3.273 -9.730 -5.636 1.00 0.00 C ATOM 105 C SER A 8 3.672 -8.262 -5.780 1.00 0.00 C ATOM 106 O SER A 8 3.227 -7.389 -4.995 1.00 0.00 O ATOM 107 CB SER A 8 2.349 -10.151 -6.783 1.00 0.00 C ATOM 108 OG SER A 8 1.159 -9.372 -6.784 1.00 0.00 O ATOM 0 H SER A 8 1.580 -9.981 -4.467 1.00 0.00 H new ATOM 0 HA SER A 8 4.176 -10.340 -5.666 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.867 -10.034 -7.735 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.098 -11.207 -6.685 1.00 0.00 H new ATOM 0 HG SER A 8 0.583 -9.655 -7.525 1.00 0.00 H new ATOM 114 N SER A 9 4.497 -7.978 -6.743 1.00 0.00 N ATOM 115 CA SER A 9 4.868 -6.625 -7.036 1.00 0.00 C ATOM 116 C SER A 9 3.714 -5.936 -7.768 1.00 0.00 C ATOM 117 O SER A 9 3.568 -4.708 -7.719 1.00 0.00 O ATOM 118 CB SER A 9 6.141 -6.609 -7.864 1.00 0.00 C ATOM 119 OG SER A 9 7.198 -7.280 -7.168 1.00 0.00 O ATOM 0 H SER A 9 4.931 -8.676 -7.347 1.00 0.00 H new ATOM 0 HA SER A 9 5.065 -6.080 -6.113 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.964 -7.094 -8.824 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.432 -5.580 -8.075 1.00 0.00 H new ATOM 0 HG SER A 9 8.012 -7.263 -7.714 1.00 0.00 H new ATOM 125 N TYR A 10 2.882 -6.750 -8.419 1.00 0.00 N ATOM 126 CA TYR A 10 1.698 -6.277 -9.100 1.00 0.00 C ATOM 127 C TYR A 10 0.736 -5.731 -8.056 1.00 0.00 C ATOM 128 O TYR A 10 0.252 -4.602 -8.168 1.00 0.00 O ATOM 129 CB TYR A 10 1.028 -7.435 -9.863 1.00 0.00 C ATOM 130 CG TYR A 10 -0.072 -7.013 -10.830 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.313 -6.548 -10.384 1.00 0.00 C ATOM 132 CD2 TYR A 10 0.141 -7.078 -12.196 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.290 -6.168 -11.277 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.834 -6.700 -13.090 1.00 0.00 C ATOM 135 CZ TYR A 10 -2.045 -6.246 -12.628 1.00 0.00 C ATOM 136 OH TYR A 10 -3.022 -5.863 -13.530 1.00 0.00 O ATOM 0 H TYR A 10 3.020 -7.759 -8.483 1.00 0.00 H new ATOM 0 HA TYR A 10 1.966 -5.499 -9.815 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.794 -7.976 -10.420 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.608 -8.133 -9.139 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.508 -6.486 -9.324 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.091 -7.432 -12.567 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.244 -5.811 -10.918 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.648 -6.760 -14.152 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.687 -5.979 -14.444 1.00 0.00 H new ATOM 146 N ALA A 11 0.485 -6.540 -7.031 1.00 0.00 N ATOM 147 CA ALA A 11 -0.400 -6.165 -5.943 1.00 0.00 C ATOM 148 C ALA A 11 0.111 -4.942 -5.239 1.00 0.00 C ATOM 149 O ALA A 11 -0.651 -4.031 -4.979 1.00 0.00 O ATOM 150 CB ALA A 11 -0.573 -7.309 -4.966 1.00 0.00 C ATOM 0 H ALA A 11 0.890 -7.471 -6.935 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.376 -5.933 -6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.240 -7.002 -4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.000 -8.168 -5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.397 -7.582 -4.550 1.00 0.00 H new ATOM 156 N ALA A 12 1.412 -4.903 -4.981 1.00 0.00 N ATOM 157 CA ALA A 12 2.028 -3.760 -4.319 1.00 0.00 C ATOM 158 C ALA A 12 1.829 -2.493 -5.129 1.00 0.00 C ATOM 159 O ALA A 12 1.529 -1.442 -4.579 1.00 0.00 O ATOM 160 CB ALA A 12 3.498 -4.003 -4.091 1.00 0.00 C ATOM 0 H ALA A 12 2.062 -5.651 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 12 1.541 -3.633 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.937 -3.137 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.628 -4.885 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.993 -4.163 -5.049 1.00 0.00 H new ATOM 166 N LYS A 13 1.946 -2.619 -6.448 1.00 0.00 N ATOM 167 CA LYS A 13 1.781 -1.493 -7.359 1.00 0.00 C ATOM 168 C LYS A 13 0.357 -0.953 -7.225 1.00 0.00 C ATOM 169 O LYS A 13 0.134 0.265 -7.192 1.00 0.00 O ATOM 170 CB LYS A 13 2.026 -1.945 -8.809 1.00 0.00 C ATOM 171 CG LYS A 13 2.251 -0.824 -9.821 1.00 0.00 C ATOM 172 CD LYS A 13 3.588 -0.147 -9.568 1.00 0.00 C ATOM 173 CE LYS A 13 3.951 0.875 -10.643 1.00 0.00 C ATOM 174 NZ LYS A 13 3.059 2.053 -10.650 1.00 0.00 N ATOM 0 H LYS A 13 2.157 -3.502 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 13 2.501 -0.714 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.895 -2.603 -8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.172 -2.538 -9.135 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.226 -1.228 -10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.446 -0.093 -9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.560 0.349 -8.598 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.369 -0.905 -9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.978 1.206 -10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.914 0.394 -11.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.356 2.709 -11.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.081 1.747 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.111 2.534 -9.729 1.00 0.00 H new ATOM 188 N LYS A 14 -0.590 -1.872 -7.130 1.00 0.00 N ATOM 189 CA LYS A 14 -1.987 -1.545 -6.952 1.00 0.00 C ATOM 190 C LYS A 14 -2.209 -0.863 -5.617 1.00 0.00 C ATOM 191 O LYS A 14 -2.863 0.175 -5.557 1.00 0.00 O ATOM 192 CB LYS A 14 -2.838 -2.802 -7.037 1.00 0.00 C ATOM 193 CG LYS A 14 -2.792 -3.584 -8.364 1.00 0.00 C ATOM 194 CD LYS A 14 -3.407 -2.830 -9.553 1.00 0.00 C ATOM 195 CE LYS A 14 -2.432 -1.860 -10.213 1.00 0.00 C ATOM 196 NZ LYS A 14 -3.077 -1.064 -11.265 1.00 0.00 N ATOM 0 H LYS A 14 -0.404 -2.874 -7.175 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.282 -0.861 -7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.532 -3.474 -6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.874 -2.525 -6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.755 -3.825 -8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.318 -4.530 -8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.751 -3.551 -10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.284 -2.279 -9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.016 -1.194 -9.457 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.598 -2.418 -10.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.380 -0.418 -11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.452 -1.698 -11.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.856 -0.512 -10.854 1.00 0.00 H new ATOM 210 N VAL A 15 -1.653 -1.451 -4.555 1.00 0.00 N ATOM 211 CA VAL A 15 -1.751 -0.885 -3.201 1.00 0.00 C ATOM 212 C VAL A 15 -1.275 0.561 -3.198 1.00 0.00 C ATOM 213 O VAL A 15 -1.968 1.443 -2.670 1.00 0.00 O ATOM 214 CB VAL A 15 -0.906 -1.676 -2.159 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.060 -1.081 -0.761 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.271 -3.143 -2.148 1.00 0.00 C ATOM 0 H VAL A 15 -1.127 -2.324 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.801 -0.950 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 15 0.139 -1.590 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.459 -1.653 -0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.723 -0.044 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.107 -1.120 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.662 -3.664 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.325 -3.254 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.090 -3.570 -3.134 1.00 0.00 H new ATOM 226 N ILE A 16 -0.115 0.795 -3.827 1.00 0.00 N ATOM 227 CA ILE A 16 0.477 2.125 -3.900 1.00 0.00 C ATOM 228 C ILE A 16 -0.483 3.105 -4.533 1.00 0.00 C ATOM 229 O ILE A 16 -0.718 4.151 -3.993 1.00 0.00 O ATOM 230 CB ILE A 16 1.818 2.156 -4.686 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.882 1.278 -4.015 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.331 3.595 -4.817 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.304 1.743 -2.639 1.00 0.00 C ATOM 0 H ILE A 16 0.430 0.070 -4.294 1.00 0.00 H new ATOM 0 HA ILE A 16 0.688 2.412 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 16 1.626 1.754 -5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.499 0.260 -3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.762 1.241 -4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.270 3.597 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.595 4.197 -5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.493 4.015 -3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.058 1.064 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.720 2.748 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.438 1.752 -1.977 1.00 0.00 H new ATOM 245 N ASP A 17 -1.056 2.722 -5.652 1.00 0.00 N ATOM 246 CA ASP A 17 -1.994 3.576 -6.402 1.00 0.00 C ATOM 247 C ASP A 17 -3.169 4.019 -5.520 1.00 0.00 C ATOM 248 O ASP A 17 -3.486 5.232 -5.408 1.00 0.00 O ATOM 249 CB ASP A 17 -2.494 2.811 -7.635 1.00 0.00 C ATOM 250 CG ASP A 17 -3.580 3.524 -8.411 1.00 0.00 C ATOM 251 OD1 ASP A 17 -3.282 4.474 -9.172 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.747 3.099 -8.330 1.00 0.00 O ATOM 0 H ASP A 17 -0.895 1.811 -6.081 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.474 4.479 -6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.650 2.625 -8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.869 1.838 -7.317 1.00 0.00 H new ATOM 257 N ILE A 18 -3.743 3.057 -4.832 1.00 0.00 N ATOM 258 CA ILE A 18 -4.886 3.287 -3.975 1.00 0.00 C ATOM 259 C ILE A 18 -4.503 4.197 -2.805 1.00 0.00 C ATOM 260 O ILE A 18 -5.095 5.271 -2.624 1.00 0.00 O ATOM 261 CB ILE A 18 -5.445 1.956 -3.431 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.723 0.995 -4.588 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.729 2.216 -2.648 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.041 -0.415 -4.153 1.00 0.00 C ATOM 0 H ILE A 18 -3.428 2.087 -4.851 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.657 3.773 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.708 1.505 -2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.557 1.380 -5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.854 0.974 -5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.120 1.273 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.517 2.885 -1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.468 2.676 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.226 -1.034 -5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.199 -0.822 -3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.928 -0.409 -3.520 1.00 0.00 H new ATOM 276 N ILE A 19 -3.479 3.799 -2.045 1.00 0.00 N ATOM 277 CA ILE A 19 -3.033 4.588 -0.884 1.00 0.00 C ATOM 278 C ILE A 19 -2.507 5.973 -1.310 1.00 0.00 C ATOM 279 O ILE A 19 -2.552 6.929 -0.527 1.00 0.00 O ATOM 280 CB ILE A 19 -1.922 3.869 -0.042 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.643 3.705 -0.872 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.416 2.517 0.470 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.524 3.118 -0.132 1.00 0.00 C ATOM 0 H ILE A 19 -2.945 2.945 -2.207 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.918 4.701 -0.258 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.692 4.490 0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.864 3.072 -1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.353 4.681 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.628 2.038 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.293 2.665 1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.680 1.882 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.380 3.042 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.780 3.759 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.261 2.126 0.234 1.00 0.00 H new ATOM 295 N ASN A 20 -2.028 6.069 -2.548 1.00 0.00 N ATOM 296 CA ASN A 20 -1.431 7.293 -3.069 1.00 0.00 C ATOM 297 C ASN A 20 -2.478 8.361 -3.251 1.00 0.00 C ATOM 298 O ASN A 20 -2.195 9.529 -3.029 1.00 0.00 O ATOM 299 CB ASN A 20 -0.699 7.040 -4.394 1.00 0.00 C ATOM 300 CG ASN A 20 0.262 8.136 -4.775 1.00 0.00 C ATOM 301 OD1 ASN A 20 -0.090 9.115 -5.435 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.486 7.954 -4.406 1.00 0.00 N ATOM 0 H ASN A 20 -2.044 5.299 -3.217 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.699 7.637 -2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.153 6.099 -4.323 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.436 6.922 -5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.202 8.634 -4.661 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.737 7.130 -3.860 1.00 0.00 H new ATOM 309 N THR A 21 -3.693 7.969 -3.656 1.00 0.00 N ATOM 310 CA THR A 21 -4.776 8.951 -3.767 1.00 0.00 C ATOM 311 C THR A 21 -5.089 9.535 -2.376 1.00 0.00 C ATOM 312 O THR A 21 -5.194 10.753 -2.203 1.00 0.00 O ATOM 313 CB THR A 21 -6.052 8.369 -4.441 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.579 7.241 -3.702 1.00 0.00 O ATOM 315 CG2 THR A 21 -5.753 7.944 -5.871 1.00 0.00 C ATOM 0 H THR A 21 -3.945 7.012 -3.904 1.00 0.00 H new ATOM 0 HA THR A 21 -4.434 9.751 -4.423 1.00 0.00 H new ATOM 0 HB THR A 21 -6.804 9.158 -4.445 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.862 6.593 -3.539 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.657 7.539 -6.327 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.413 8.807 -6.443 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.975 7.181 -5.869 1.00 0.00 H new ATOM 323 N GLY A 22 -5.209 8.631 -1.403 1.00 0.00 N ATOM 324 CA GLY A 22 -5.318 8.979 0.002 1.00 0.00 C ATOM 325 C GLY A 22 -6.410 9.960 0.352 1.00 0.00 C ATOM 326 O GLY A 22 -6.125 11.079 0.771 1.00 0.00 O ATOM 0 H GLY A 22 -5.233 7.626 -1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.481 8.064 0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.364 9.393 0.329 1.00 0.00 H new ATOM 330 N SER A 23 -7.633 9.573 0.170 1.00 0.00 N ATOM 331 CA SER A 23 -8.728 10.415 0.548 1.00 0.00 C ATOM 332 C SER A 23 -9.295 9.989 1.907 1.00 0.00 C ATOM 333 O SER A 23 -8.907 10.531 2.947 1.00 0.00 O ATOM 334 CB SER A 23 -9.794 10.427 -0.540 1.00 0.00 C ATOM 335 OG SER A 23 -9.249 10.902 -1.767 1.00 0.00 O ATOM 0 H SER A 23 -7.901 8.678 -0.239 1.00 0.00 H new ATOM 0 HA SER A 23 -8.365 11.437 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.193 9.422 -0.677 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.626 11.062 -0.235 1.00 0.00 H new ATOM 0 HG SER A 23 -9.946 10.902 -2.456 1.00 0.00 H new ATOM 341 N ALA A 24 -10.208 9.044 1.908 1.00 0.00 N ATOM 342 CA ALA A 24 -10.745 8.524 3.146 1.00 0.00 C ATOM 343 C ALA A 24 -9.957 7.296 3.544 1.00 0.00 C ATOM 344 O ALA A 24 -9.929 6.328 2.789 1.00 0.00 O ATOM 345 CB ALA A 24 -12.216 8.200 2.999 1.00 0.00 C ATOM 0 H ALA A 24 -10.595 8.619 1.065 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.655 9.279 3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.599 7.810 3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.763 9.104 2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.347 7.452 2.217 1.00 0.00 H new ATOM 351 N VAL A 25 -9.340 7.319 4.716 1.00 0.00 N ATOM 352 CA VAL A 25 -8.484 6.209 5.175 1.00 0.00 C ATOM 353 C VAL A 25 -9.244 4.887 5.188 1.00 0.00 C ATOM 354 O VAL A 25 -8.767 3.876 4.652 1.00 0.00 O ATOM 355 CB VAL A 25 -7.850 6.478 6.576 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.964 5.309 7.021 1.00 0.00 C ATOM 357 CG2 VAL A 25 -7.043 7.769 6.561 1.00 0.00 C ATOM 0 H VAL A 25 -9.410 8.093 5.377 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.669 6.139 4.454 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.665 6.579 7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.538 5.528 8.000 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.563 4.401 7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.160 5.166 6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.609 7.939 7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.245 7.691 5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.696 8.603 6.303 1.00 0.00 H new ATOM 367 N ALA A 26 -10.439 4.919 5.741 1.00 0.00 N ATOM 368 CA ALA A 26 -11.291 3.747 5.820 1.00 0.00 C ATOM 369 C ALA A 26 -11.631 3.216 4.424 1.00 0.00 C ATOM 370 O ALA A 26 -11.694 1.994 4.201 1.00 0.00 O ATOM 371 CB ALA A 26 -12.550 4.069 6.601 1.00 0.00 C ATOM 0 H ALA A 26 -10.849 5.759 6.149 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.748 2.961 6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.182 3.183 6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.282 4.384 7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.092 4.872 6.102 1.00 0.00 H new ATOM 377 N THR A 27 -11.774 4.122 3.482 1.00 0.00 N ATOM 378 CA THR A 27 -12.096 3.762 2.128 1.00 0.00 C ATOM 379 C THR A 27 -10.889 3.120 1.441 1.00 0.00 C ATOM 380 O THR A 27 -11.044 2.142 0.720 1.00 0.00 O ATOM 381 CB THR A 27 -12.606 4.988 1.341 1.00 0.00 C ATOM 382 OG1 THR A 27 -13.772 5.505 2.009 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.973 4.629 -0.094 1.00 0.00 C ATOM 0 H THR A 27 -11.670 5.125 3.637 1.00 0.00 H new ATOM 0 HA THR A 27 -12.900 3.026 2.148 1.00 0.00 H new ATOM 0 HB THR A 27 -11.809 5.730 1.305 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.108 6.286 1.522 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.327 5.520 -0.613 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.095 4.236 -0.607 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.760 3.874 -0.090 1.00 0.00 H new ATOM 391 N ILE A 28 -9.686 3.627 1.732 1.00 0.00 N ATOM 392 CA ILE A 28 -8.459 3.096 1.158 1.00 0.00 C ATOM 393 C ILE A 28 -8.335 1.639 1.525 1.00 0.00 C ATOM 394 O ILE A 28 -8.201 0.794 0.654 1.00 0.00 O ATOM 395 CB ILE A 28 -7.224 3.854 1.687 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.349 5.341 1.392 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.944 3.300 1.076 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.302 6.177 2.068 1.00 0.00 C ATOM 0 H ILE A 28 -9.543 4.411 2.368 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.503 3.217 0.076 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.175 3.713 2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.286 5.496 0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.335 5.684 1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.087 3.851 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.845 2.246 1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.983 3.407 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.453 7.226 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.378 6.052 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.313 5.861 1.735 1.00 0.00 H new ATOM 410 N ILE A 29 -8.463 1.362 2.818 1.00 0.00 N ATOM 411 CA ILE A 29 -8.383 0.002 3.361 1.00 0.00 C ATOM 412 C ILE A 29 -9.352 -0.923 2.616 1.00 0.00 C ATOM 413 O ILE A 29 -8.984 -2.024 2.187 1.00 0.00 O ATOM 414 CB ILE A 29 -8.765 0.000 4.858 1.00 0.00 C ATOM 415 CG1 ILE A 29 -7.886 0.977 5.630 1.00 0.00 C ATOM 416 CG2 ILE A 29 -8.644 -1.408 5.450 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.367 1.241 7.028 1.00 0.00 C ATOM 0 H ILE A 29 -8.626 2.077 3.527 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.359 -0.352 3.238 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.804 0.318 4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.870 0.584 5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.841 1.920 5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.918 -1.384 6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.311 -2.085 4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.616 -1.758 5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.694 1.945 7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.371 1.664 6.994 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.386 0.307 7.589 1.00 0.00 H new ATOM 429 N ALA A 30 -10.565 -0.435 2.411 1.00 0.00 N ATOM 430 CA ALA A 30 -11.607 -1.194 1.749 1.00 0.00 C ATOM 431 C ALA A 30 -11.276 -1.429 0.274 1.00 0.00 C ATOM 432 O ALA A 30 -11.564 -2.501 -0.278 1.00 0.00 O ATOM 433 CB ALA A 30 -12.942 -0.481 1.886 1.00 0.00 C ATOM 0 H ALA A 30 -10.852 0.500 2.700 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.673 -2.168 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.717 -1.061 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.192 -0.377 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.875 0.507 1.430 1.00 0.00 H new ATOM 439 N LEU A 31 -10.658 -0.449 -0.354 1.00 0.00 N ATOM 440 CA LEU A 31 -10.314 -0.537 -1.760 1.00 0.00 C ATOM 441 C LEU A 31 -9.118 -1.450 -1.976 1.00 0.00 C ATOM 442 O LEU A 31 -9.091 -2.245 -2.935 1.00 0.00 O ATOM 443 CB LEU A 31 -10.032 0.843 -2.337 1.00 0.00 C ATOM 444 CG LEU A 31 -11.191 1.840 -2.321 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.766 3.157 -2.933 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.411 1.281 -3.036 1.00 0.00 C ATOM 0 H LEU A 31 -10.381 0.426 0.092 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.170 -0.964 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.199 1.279 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.702 0.720 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.469 2.015 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.603 3.854 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.935 3.572 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.453 2.995 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.217 2.014 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.157 1.062 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.735 0.365 -2.541 1.00 0.00 H new ATOM 458 N VAL A 32 -8.143 -1.362 -1.090 1.00 0.00 N ATOM 459 CA VAL A 32 -6.970 -2.201 -1.198 1.00 0.00 C ATOM 460 C VAL A 32 -7.387 -3.654 -0.951 1.00 0.00 C ATOM 461 O VAL A 32 -6.999 -4.563 -1.688 1.00 0.00 O ATOM 462 CB VAL A 32 -5.830 -1.794 -0.212 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.565 -2.530 -0.544 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.553 -0.309 -0.247 1.00 0.00 C ATOM 0 H VAL A 32 -8.142 -0.723 -0.295 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.562 -2.076 -2.201 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.169 -2.059 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.779 -2.236 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.737 -3.603 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.258 -2.286 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.753 -0.071 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.251 -0.019 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.455 0.236 0.033 1.00 0.00 H new ATOM 474 N THR A 33 -8.247 -3.845 0.039 1.00 0.00 N ATOM 475 CA THR A 33 -8.790 -5.153 0.364 1.00 0.00 C ATOM 476 C THR A 33 -9.683 -5.696 -0.787 1.00 0.00 C ATOM 477 O THR A 33 -9.850 -6.899 -0.940 1.00 0.00 O ATOM 478 CB THR A 33 -9.558 -5.100 1.716 1.00 0.00 C ATOM 479 OG1 THR A 33 -8.648 -4.688 2.743 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.149 -6.455 2.097 1.00 0.00 C ATOM 0 H THR A 33 -8.588 -3.095 0.640 1.00 0.00 H new ATOM 0 HA THR A 33 -7.961 -5.851 0.477 1.00 0.00 H new ATOM 0 HB THR A 33 -10.382 -4.395 1.608 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.585 -3.710 2.751 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.675 -6.368 3.048 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.847 -6.778 1.324 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.348 -7.188 2.192 1.00 0.00 H new ATOM 488 N ALA A 34 -10.213 -4.817 -1.610 1.00 0.00 N ATOM 489 CA ALA A 34 -11.000 -5.251 -2.755 1.00 0.00 C ATOM 490 C ALA A 34 -10.082 -5.796 -3.851 1.00 0.00 C ATOM 491 O ALA A 34 -10.438 -6.728 -4.580 1.00 0.00 O ATOM 492 CB ALA A 34 -11.848 -4.107 -3.292 1.00 0.00 C ATOM 0 H ALA A 34 -10.118 -3.806 -1.514 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.670 -6.047 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.428 -4.454 -4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.525 -3.759 -2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.199 -3.288 -3.602 1.00 0.00 H new ATOM 498 N VAL A 35 -8.885 -5.241 -3.931 1.00 0.00 N ATOM 499 CA VAL A 35 -7.923 -5.629 -4.949 1.00 0.00 C ATOM 500 C VAL A 35 -7.098 -6.844 -4.533 1.00 0.00 C ATOM 501 O VAL A 35 -6.930 -7.789 -5.317 1.00 0.00 O ATOM 502 CB VAL A 35 -6.982 -4.444 -5.312 1.00 0.00 C ATOM 503 CG1 VAL A 35 -5.871 -4.872 -6.263 1.00 0.00 C ATOM 504 CG2 VAL A 35 -7.787 -3.329 -5.940 1.00 0.00 C ATOM 0 H VAL A 35 -8.554 -4.514 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.500 -5.906 -5.831 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.516 -4.096 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.237 -4.015 -6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.272 -5.653 -5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.309 -5.255 -7.185 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.125 -2.501 -6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.272 -3.695 -6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.545 -2.986 -5.236 1.00 0.00 H new ATOM 514 N VAL A 36 -6.585 -6.831 -3.326 1.00 0.00 N ATOM 515 CA VAL A 36 -5.716 -7.931 -2.892 1.00 0.00 C ATOM 516 C VAL A 36 -6.464 -8.986 -2.084 1.00 0.00 C ATOM 517 O VAL A 36 -6.105 -10.164 -2.103 1.00 0.00 O ATOM 518 CB VAL A 36 -4.468 -7.438 -2.095 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.649 -6.464 -2.925 1.00 0.00 C ATOM 520 CG2 VAL A 36 -4.856 -6.812 -0.761 1.00 0.00 C ATOM 0 H VAL A 36 -6.740 -6.098 -2.633 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.365 -8.394 -3.815 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.855 -8.313 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.784 -6.133 -2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.311 -6.957 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.263 -5.602 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.958 -6.483 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.508 -5.956 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.380 -7.549 -0.152 1.00 0.00 H new ATOM 551 N LEU A 40 -5.319 -7.817 4.305 1.00 0.00 N ATOM 552 CA LEU A 40 -3.878 -7.656 4.471 1.00 0.00 C ATOM 553 C LEU A 40 -3.498 -6.190 4.777 1.00 0.00 C ATOM 554 O LEU A 40 -2.914 -5.871 5.833 1.00 0.00 O ATOM 555 CB LEU A 40 -3.197 -8.101 3.176 1.00 0.00 C ATOM 556 CG LEU A 40 -3.556 -9.497 2.648 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.835 -9.768 1.346 1.00 0.00 C ATOM 558 CD2 LEU A 40 -3.240 -10.578 3.667 1.00 0.00 C ATOM 0 HA LEU A 40 -3.550 -8.262 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.435 -7.373 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.118 -8.063 3.329 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.631 -9.519 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.099 -10.761 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.127 -9.022 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.758 -9.716 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.507 -11.553 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.175 -10.561 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.811 -10.398 4.578 1.00 0.00 H new ATOM 570 N ILE A 41 -3.818 -5.309 3.866 1.00 0.00 N ATOM 571 CA ILE A 41 -3.526 -3.929 4.064 1.00 0.00 C ATOM 572 C ILE A 41 -4.601 -3.303 4.930 1.00 0.00 C ATOM 573 O ILE A 41 -5.702 -2.992 4.471 1.00 0.00 O ATOM 574 CB ILE A 41 -3.325 -3.127 2.731 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.134 -3.666 1.913 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.117 -1.645 3.008 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.389 -4.947 1.153 1.00 0.00 C ATOM 0 H ILE A 41 -4.280 -5.530 2.984 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.565 -3.875 4.575 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.235 -3.259 2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.827 -2.898 1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.295 -3.827 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.980 -1.114 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.989 -1.246 3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.232 -1.512 3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.487 -5.236 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.662 -5.737 1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.202 -4.794 0.444 1.00 0.00 H new ATOM 589 N THR A 42 -4.285 -3.194 6.183 1.00 0.00 N ATOM 590 CA THR A 42 -5.155 -2.609 7.174 1.00 0.00 C ATOM 591 C THR A 42 -4.788 -1.149 7.377 1.00 0.00 C ATOM 592 O THR A 42 -3.885 -0.641 6.698 1.00 0.00 O ATOM 593 CB THR A 42 -4.921 -3.324 8.499 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.509 -3.321 8.767 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.430 -4.742 8.453 1.00 0.00 C ATOM 0 H THR A 42 -3.394 -3.515 6.562 1.00 0.00 H new ATOM 0 HA THR A 42 -6.191 -2.699 6.846 1.00 0.00 H new ATOM 0 HB THR A 42 -5.464 -2.805 9.288 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.337 -3.776 9.618 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.248 -5.225 9.413 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.500 -4.738 8.246 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.910 -5.290 7.667 1.00 0.00 H new ATOM 603 N ALA A 43 -5.447 -0.484 8.335 1.00 0.00 N ATOM 604 CA ALA A 43 -5.163 0.911 8.661 1.00 0.00 C ATOM 605 C ALA A 43 -3.704 1.079 9.035 1.00 0.00 C ATOM 606 O ALA A 43 -3.066 2.063 8.649 1.00 0.00 O ATOM 607 CB ALA A 43 -6.052 1.388 9.800 1.00 0.00 C ATOM 0 H ALA A 43 -6.187 -0.899 8.901 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.373 1.517 7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.825 2.429 10.027 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.098 1.301 9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.871 0.776 10.684 1.00 0.00 H new ATOM 613 N GLY A 44 -3.171 0.082 9.738 1.00 0.00 N ATOM 614 CA GLY A 44 -1.796 0.100 10.143 1.00 0.00 C ATOM 615 C GLY A 44 -0.870 0.071 8.956 1.00 0.00 C ATOM 616 O GLY A 44 0.126 0.803 8.915 1.00 0.00 O ATOM 0 H GLY A 44 -3.687 -0.747 10.033 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.602 0.994 10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.593 -0.758 10.785 1.00 0.00 H new ATOM 620 N ILE A 45 -1.214 -0.722 7.959 1.00 0.00 N ATOM 621 CA ILE A 45 -0.387 -0.830 6.786 1.00 0.00 C ATOM 622 C ILE A 45 -0.542 0.420 5.918 1.00 0.00 C ATOM 623 O ILE A 45 0.452 0.978 5.467 1.00 0.00 O ATOM 624 CB ILE A 45 -0.681 -2.124 5.972 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.470 -3.376 6.850 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.198 -2.204 4.722 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.926 -3.511 7.447 1.00 0.00 C ATOM 0 H ILE A 45 -2.057 -1.296 7.943 1.00 0.00 H new ATOM 0 HA ILE A 45 0.649 -0.903 7.116 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.723 -2.087 5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.197 -3.360 7.662 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.681 -4.262 6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.030 -3.118 4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.004 -1.341 4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.248 -2.209 5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.979 -4.419 8.047 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.662 -3.563 6.644 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.137 -2.647 8.077 1.00 0.00 H new ATOM 639 N VAL A 46 -1.787 0.884 5.753 1.00 0.00 N ATOM 640 CA VAL A 46 -2.090 2.096 4.972 1.00 0.00 C ATOM 641 C VAL A 46 -1.308 3.301 5.518 1.00 0.00 C ATOM 642 O VAL A 46 -0.624 4.002 4.765 1.00 0.00 O ATOM 643 CB VAL A 46 -3.625 2.438 4.984 1.00 0.00 C ATOM 644 CG1 VAL A 46 -3.913 3.761 4.282 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.430 1.341 4.321 1.00 0.00 C ATOM 0 H VAL A 46 -2.610 0.435 6.154 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.789 1.890 3.945 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.920 2.524 6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.984 3.963 4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.378 4.565 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.583 3.702 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.488 1.602 4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.106 1.226 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.277 0.403 4.856 1.00 0.00 H new ATOM 655 N ALA A 47 -1.387 3.506 6.832 1.00 0.00 N ATOM 656 CA ALA A 47 -0.718 4.625 7.490 1.00 0.00 C ATOM 657 C ALA A 47 0.788 4.546 7.311 1.00 0.00 C ATOM 658 O ALA A 47 1.445 5.552 6.983 1.00 0.00 O ATOM 659 CB ALA A 47 -1.076 4.670 8.968 1.00 0.00 C ATOM 0 H ALA A 47 -1.913 2.905 7.466 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.066 5.545 7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.568 5.511 9.440 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.154 4.790 9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.763 3.742 9.446 1.00 0.00 H new ATOM 665 N THR A 48 1.324 3.355 7.480 1.00 0.00 N ATOM 666 CA THR A 48 2.738 3.146 7.347 1.00 0.00 C ATOM 667 C THR A 48 3.187 3.385 5.900 1.00 0.00 C ATOM 668 O THR A 48 4.095 4.179 5.650 1.00 0.00 O ATOM 669 CB THR A 48 3.129 1.723 7.790 1.00 0.00 C ATOM 670 OG1 THR A 48 2.661 1.491 9.137 1.00 0.00 O ATOM 671 CG2 THR A 48 4.632 1.552 7.743 1.00 0.00 C ATOM 0 H THR A 48 0.792 2.516 7.711 1.00 0.00 H new ATOM 0 HA THR A 48 3.243 3.862 7.995 1.00 0.00 H new ATOM 0 HB THR A 48 2.670 1.004 7.111 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.716 1.232 9.115 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.893 0.542 8.059 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.985 1.717 6.725 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.101 2.274 8.411 1.00 0.00 H new ATOM 679 N ALA A 49 2.498 2.746 4.965 1.00 0.00 N ATOM 680 CA ALA A 49 2.821 2.823 3.552 1.00 0.00 C ATOM 681 C ALA A 49 2.779 4.255 3.037 1.00 0.00 C ATOM 682 O ALA A 49 3.698 4.692 2.354 1.00 0.00 O ATOM 683 CB ALA A 49 1.898 1.928 2.752 1.00 0.00 C ATOM 0 H ALA A 49 1.692 2.155 5.170 1.00 0.00 H new ATOM 0 HA ALA A 49 3.844 2.470 3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.152 1.996 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.011 0.897 3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.866 2.246 2.898 1.00 0.00 H new ATOM 689 N LYS A 50 1.740 5.002 3.410 1.00 0.00 N ATOM 690 CA LYS A 50 1.619 6.399 2.990 1.00 0.00 C ATOM 691 C LYS A 50 2.749 7.256 3.555 1.00 0.00 C ATOM 692 O LYS A 50 3.217 8.202 2.914 1.00 0.00 O ATOM 693 CB LYS A 50 0.254 6.989 3.359 1.00 0.00 C ATOM 694 CG LYS A 50 -0.902 6.404 2.559 1.00 0.00 C ATOM 695 CD LYS A 50 -2.257 6.993 2.962 1.00 0.00 C ATOM 696 CE LYS A 50 -2.351 8.506 2.728 1.00 0.00 C ATOM 697 NZ LYS A 50 -2.102 8.887 1.316 1.00 0.00 N ATOM 0 H LYS A 50 0.976 4.668 3.997 1.00 0.00 H new ATOM 0 HA LYS A 50 1.701 6.409 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.071 6.822 4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.281 8.068 3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.733 6.586 1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.924 5.323 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.045 6.495 2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.438 6.783 4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.341 8.854 3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.630 9.013 3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.497 9.832 1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.078 8.900 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.556 8.196 0.685 1.00 0.00 H new ATOM 711 N SER A 51 3.204 6.921 4.730 1.00 0.00 N ATOM 712 CA SER A 51 4.283 7.656 5.312 1.00 0.00 C ATOM 713 C SER A 51 5.592 7.317 4.603 1.00 0.00 C ATOM 714 O SER A 51 6.383 8.202 4.295 1.00 0.00 O ATOM 715 CB SER A 51 4.347 7.389 6.805 1.00 0.00 C ATOM 716 OG SER A 51 3.107 7.738 7.417 1.00 0.00 O ATOM 0 H SER A 51 2.847 6.151 5.296 1.00 0.00 H new ATOM 0 HA SER A 51 4.114 8.725 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.567 6.337 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.157 7.966 7.251 1.00 0.00 H new ATOM 0 HG SER A 51 2.467 7.005 7.300 1.00 0.00 H new ATOM 722 N LEU A 52 5.776 6.042 4.280 1.00 0.00 N ATOM 723 CA LEU A 52 6.967 5.589 3.592 1.00 0.00 C ATOM 724 C LEU A 52 7.053 6.212 2.198 1.00 0.00 C ATOM 725 O LEU A 52 8.140 6.596 1.758 1.00 0.00 O ATOM 726 CB LEU A 52 6.988 4.065 3.473 1.00 0.00 C ATOM 727 CG LEU A 52 6.868 3.266 4.774 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.712 1.809 4.460 1.00 0.00 C ATOM 729 CD2 LEU A 52 8.073 3.469 5.678 1.00 0.00 C ATOM 0 H LEU A 52 5.106 5.302 4.488 1.00 0.00 H new ATOM 0 HA LEU A 52 7.828 5.906 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.173 3.765 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.917 3.776 2.982 1.00 0.00 H new ATOM 0 HG LEU A 52 5.989 3.629 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.627 1.244 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.814 1.660 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.582 1.462 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.947 2.885 6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.975 3.143 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.162 4.525 5.934 1.00 0.00 H new ATOM 741 N ILE A 53 5.907 6.354 1.516 1.00 0.00 N ATOM 742 CA ILE A 53 5.909 6.919 0.165 1.00 0.00 C ATOM 743 C ILE A 53 6.226 8.406 0.185 1.00 0.00 C ATOM 744 O ILE A 53 6.791 8.930 -0.770 1.00 0.00 O ATOM 745 CB ILE A 53 4.593 6.675 -0.659 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.405 7.439 -0.069 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.274 5.195 -0.737 1.00 0.00 C ATOM 748 CD1 ILE A 53 2.106 7.290 -0.847 1.00 0.00 C ATOM 0 H ILE A 53 4.987 6.091 1.870 1.00 0.00 H new ATOM 0 HA ILE A 53 6.698 6.372 -0.350 1.00 0.00 H new ATOM 0 HB ILE A 53 4.768 7.053 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.242 7.098 0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.661 8.497 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.359 5.050 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.096 4.671 -1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.137 4.799 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.320 7.865 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.246 7.660 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.820 6.239 -0.880 1.00 0.00 H new ATOM 760 N LYS A 54 5.868 9.087 1.263 1.00 0.00 N ATOM 761 CA LYS A 54 6.154 10.505 1.361 1.00 0.00 C ATOM 762 C LYS A 54 7.623 10.789 1.631 1.00 0.00 C ATOM 763 O LYS A 54 8.163 11.789 1.149 1.00 0.00 O ATOM 764 CB LYS A 54 5.299 11.176 2.411 1.00 0.00 C ATOM 765 CG LYS A 54 3.835 11.308 2.048 1.00 0.00 C ATOM 766 CD LYS A 54 3.050 11.963 3.173 1.00 0.00 C ATOM 767 CE LYS A 54 3.597 13.342 3.523 1.00 0.00 C ATOM 768 NZ LYS A 54 2.824 13.973 4.595 1.00 0.00 N ATOM 0 H LYS A 54 5.387 8.687 2.068 1.00 0.00 H new ATOM 0 HA LYS A 54 5.908 10.926 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.379 10.611 3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.702 12.170 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.735 11.899 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.419 10.323 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.003 12.051 2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.082 11.325 4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.639 13.254 3.829 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.578 13.977 2.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.224 14.909 4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.835 14.080 4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.863 13.379 5.448 1.00 0.00 H new ATOM 782 N LYS A 55 8.267 9.937 2.390 1.00 0.00 N ATOM 783 CA LYS A 55 9.667 10.153 2.731 1.00 0.00 C ATOM 784 C LYS A 55 10.627 9.435 1.817 1.00 0.00 C ATOM 785 O LYS A 55 11.530 10.045 1.244 1.00 0.00 O ATOM 786 CB LYS A 55 9.959 9.807 4.201 1.00 0.00 C ATOM 787 CG LYS A 55 9.356 8.506 4.703 1.00 0.00 C ATOM 788 CD LYS A 55 9.505 8.357 6.208 1.00 0.00 C ATOM 789 CE LYS A 55 8.655 9.388 6.959 1.00 0.00 C ATOM 790 NZ LYS A 55 8.824 9.311 8.421 1.00 0.00 N ATOM 0 H LYS A 55 7.855 9.091 2.785 1.00 0.00 H new ATOM 0 HA LYS A 55 9.836 11.220 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.040 9.762 4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.593 10.621 4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.300 8.469 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.840 7.666 4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.208 7.352 6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.553 8.476 6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.922 10.389 6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.605 9.236 6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.227 10.030 8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.544 8.366 8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.820 9.483 8.665 1.00 0.00 H new ATOM 804 N TYR A 56 10.441 8.158 1.690 1.00 0.00 N ATOM 805 CA TYR A 56 11.350 7.318 0.947 1.00 0.00 C ATOM 806 C TYR A 56 10.923 7.199 -0.499 1.00 0.00 C ATOM 807 O TYR A 56 11.761 7.126 -1.404 1.00 0.00 O ATOM 808 CB TYR A 56 11.413 5.946 1.604 1.00 0.00 C ATOM 809 CG TYR A 56 11.672 6.008 3.095 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.622 6.867 3.629 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.968 5.207 3.963 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.858 6.917 4.978 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.203 5.237 5.313 1.00 0.00 C ATOM 814 CZ TYR A 56 12.149 6.092 5.819 1.00 0.00 C ATOM 815 OH TYR A 56 12.392 6.118 7.165 1.00 0.00 O ATOM 0 H TYR A 56 9.651 7.658 2.099 1.00 0.00 H new ATOM 0 HA TYR A 56 12.341 7.771 0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.474 5.422 1.427 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.200 5.359 1.130 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.186 7.509 2.969 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.214 4.540 3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.595 7.599 5.377 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.646 4.591 5.975 1.00 0.00 H new ATOM 0 HH TYR A 56 11.805 5.475 7.616 1.00 0.00 H new ATOM 825 N GLY A 57 9.639 7.155 -0.716 1.00 0.00 N ATOM 826 CA GLY A 57 9.132 7.092 -2.052 1.00 0.00 C ATOM 827 C GLY A 57 8.207 5.927 -2.261 1.00 0.00 C ATOM 828 O GLY A 57 8.181 4.979 -1.453 1.00 0.00 O ATOM 0 H GLY A 57 8.928 7.162 0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.603 8.017 -2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.966 7.020 -2.751 1.00 0.00 H new ATOM 832 N ALA A 58 7.460 5.988 -3.338 1.00 0.00 N ATOM 833 CA ALA A 58 6.500 4.964 -3.702 1.00 0.00 C ATOM 834 C ALA A 58 7.197 3.656 -4.040 1.00 0.00 C ATOM 835 O ALA A 58 6.711 2.577 -3.704 1.00 0.00 O ATOM 836 CB ALA A 58 5.659 5.442 -4.873 1.00 0.00 C ATOM 0 H ALA A 58 7.501 6.763 -4.000 1.00 0.00 H new ATOM 0 HA ALA A 58 5.848 4.779 -2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.939 4.669 -5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.127 6.351 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.306 5.649 -5.725 1.00 0.00 H new ATOM 842 N LYS A 59 8.363 3.769 -4.645 1.00 0.00 N ATOM 843 CA LYS A 59 9.142 2.616 -5.063 1.00 0.00 C ATOM 844 C LYS A 59 9.658 1.853 -3.839 1.00 0.00 C ATOM 845 O LYS A 59 9.731 0.618 -3.839 1.00 0.00 O ATOM 846 CB LYS A 59 10.296 3.077 -5.965 1.00 0.00 C ATOM 847 CG LYS A 59 11.082 1.958 -6.617 1.00 0.00 C ATOM 848 CD LYS A 59 12.133 2.514 -7.562 1.00 0.00 C ATOM 849 CE LYS A 59 12.871 1.403 -8.290 1.00 0.00 C ATOM 850 NZ LYS A 59 11.970 0.595 -9.149 1.00 0.00 N ATOM 0 H LYS A 59 8.800 4.665 -4.862 1.00 0.00 H new ATOM 0 HA LYS A 59 8.511 1.935 -5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.892 3.721 -6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.980 3.685 -5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.562 1.350 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.404 1.303 -7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.658 3.174 -8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.845 3.118 -7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.661 1.836 -8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.354 0.752 -7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.538 0.026 -9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.396 -0.036 -8.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.344 1.228 -9.687 1.00 0.00 H new ATOM 864 N TYR A 60 9.959 2.597 -2.780 1.00 0.00 N ATOM 865 CA TYR A 60 10.420 2.019 -1.536 1.00 0.00 C ATOM 866 C TYR A 60 9.299 1.223 -0.914 1.00 0.00 C ATOM 867 O TYR A 60 9.490 0.090 -0.460 1.00 0.00 O ATOM 868 CB TYR A 60 10.865 3.130 -0.555 1.00 0.00 C ATOM 869 CG TYR A 60 11.203 2.632 0.845 1.00 0.00 C ATOM 870 CD1 TYR A 60 10.200 2.435 1.787 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.500 2.341 1.206 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.474 1.962 3.040 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.794 1.868 2.472 1.00 0.00 C ATOM 874 CZ TYR A 60 11.775 1.680 3.385 1.00 0.00 C ATOM 875 OH TYR A 60 12.063 1.210 4.650 1.00 0.00 O ATOM 0 H TYR A 60 9.888 3.614 -2.766 1.00 0.00 H new ATOM 0 HA TYR A 60 11.271 1.370 -1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.738 3.636 -0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 60 10.071 3.873 -0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.178 2.661 1.522 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.297 2.484 0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.676 1.811 3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.815 1.647 2.745 1.00 0.00 H new ATOM 0 HH TYR A 60 13.028 1.060 4.731 1.00 0.00 H new ATOM 885 N ALA A 61 8.134 1.825 -0.894 1.00 0.00 N ATOM 886 CA ALA A 61 6.989 1.226 -0.278 1.00 0.00 C ATOM 887 C ALA A 61 6.518 0.027 -1.038 1.00 0.00 C ATOM 888 O ALA A 61 6.089 -0.918 -0.437 1.00 0.00 O ATOM 889 CB ALA A 61 5.890 2.211 -0.126 1.00 0.00 C ATOM 0 H ALA A 61 7.960 2.742 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 61 7.293 0.893 0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.033 1.730 0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.228 3.040 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.601 2.588 -1.107 1.00 0.00 H new ATOM 895 N ALA A 62 6.614 0.066 -2.361 1.00 0.00 N ATOM 896 CA ALA A 62 6.242 -1.076 -3.189 1.00 0.00 C ATOM 897 C ALA A 62 7.071 -2.292 -2.788 1.00 0.00 C ATOM 898 O ALA A 62 6.542 -3.396 -2.595 1.00 0.00 O ATOM 899 CB ALA A 62 6.439 -0.751 -4.664 1.00 0.00 C ATOM 0 H ALA A 62 6.946 0.876 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 62 5.187 -1.302 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.157 -1.614 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.816 0.101 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.486 -0.507 -4.846 1.00 0.00 H new ATOM 905 N ALA A 63 8.362 -2.059 -2.603 1.00 0.00 N ATOM 906 CA ALA A 63 9.285 -3.088 -2.175 1.00 0.00 C ATOM 907 C ALA A 63 8.947 -3.536 -0.757 1.00 0.00 C ATOM 908 O ALA A 63 8.885 -4.734 -0.469 1.00 0.00 O ATOM 909 CB ALA A 63 10.707 -2.560 -2.236 1.00 0.00 C ATOM 0 H ALA A 63 8.796 -1.147 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 63 9.198 -3.946 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.398 -3.338 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.943 -2.267 -3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.802 -1.695 -1.580 1.00 0.00 H new ATOM 915 N TRP A 64 8.691 -2.558 0.105 1.00 0.00 N ATOM 916 CA TRP A 64 8.355 -2.794 1.506 1.00 0.00 C ATOM 917 C TRP A 64 7.075 -3.625 1.628 1.00 0.00 C ATOM 918 O TRP A 64 7.032 -4.612 2.383 1.00 0.00 O ATOM 919 CB TRP A 64 8.211 -1.446 2.259 1.00 0.00 C ATOM 920 CG TRP A 64 7.819 -1.584 3.699 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.657 -1.688 4.750 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.486 -1.630 4.241 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.947 -1.799 5.917 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.608 -1.768 5.632 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.210 -1.567 3.680 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.496 -1.848 6.474 1.00 0.00 C ATOM 927 CZ3 TRP A 64 4.112 -1.646 4.514 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.258 -1.785 5.892 1.00 0.00 C ATOM 0 H TRP A 64 8.711 -1.571 -0.150 1.00 0.00 H new ATOM 0 HA TRP A 64 9.166 -3.360 1.964 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.157 -0.908 2.202 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.466 -0.836 1.748 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.735 -1.684 4.682 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.351 -1.890 6.849 1.00 0.00 H new ATOM 0 HE3 TRP A 64 5.083 -1.458 2.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.608 -1.955 7.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 3.120 -1.599 4.089 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.377 -1.844 6.514 1.00 0.00 H new