USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 492 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+ 124:sc= 1.19 (180deg=-0.362) USER MOD Single : A 2 THR OG1 : rot 85:sc= 0.127 USER MOD Single : A 4 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.345 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+ -179:sc= 0 (180deg=-0.000142) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= -0.0693 (180deg=-0.402) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 21 THR OG1 : rot -83:sc= 1.19 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -174:sc= -1.11 USER MOD Single : A 33 THR OG1 : rot 90:sc= 1.21 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0845 USER MOD Single : A 48 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 2.09 (180deg=1.73) USER MOD Single : A 51 SER OG : rot 78:sc= 0.399 USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= -0.0183 (180deg=-0.174) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc=-0.00982 (180deg=-0.163) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 150:sc= -2.02! (180deg=-3.49!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.929 -3.221 0.894 1.00 0.00 N ATOM 2 CA LEU A 1 4.633 -3.887 0.891 1.00 0.00 C ATOM 3 C LEU A 1 4.795 -5.346 0.531 1.00 0.00 C ATOM 4 O LEU A 1 4.390 -6.222 1.282 1.00 0.00 O ATOM 5 CB LEU A 1 3.673 -3.220 -0.106 1.00 0.00 C ATOM 6 CG LEU A 1 3.142 -1.828 0.246 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.397 -1.253 -0.934 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.213 -1.897 1.442 1.00 0.00 C ATOM 0 H1 LEU A 1 5.903 -2.407 0.247 1.00 0.00 H new ATOM 0 HA LEU A 1 4.212 -3.803 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.181 -3.153 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.818 -3.881 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 1 3.989 -1.188 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.021 -0.262 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.071 -1.177 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.561 -1.904 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.846 -0.898 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.370 -2.548 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.754 -2.295 2.300 1.00 0.00 H new ATOM 20 N THR A 2 5.442 -5.593 -0.587 1.00 0.00 N ATOM 21 CA THR A 2 5.686 -6.936 -1.070 1.00 0.00 C ATOM 22 C THR A 2 6.418 -7.769 -0.017 1.00 0.00 C ATOM 23 O THR A 2 5.969 -8.876 0.318 1.00 0.00 O ATOM 24 CB THR A 2 6.502 -6.888 -2.396 1.00 0.00 C ATOM 25 OG1 THR A 2 5.730 -6.301 -3.454 1.00 0.00 O ATOM 26 CG2 THR A 2 7.021 -8.249 -2.814 1.00 0.00 C ATOM 0 H THR A 2 5.817 -4.862 -1.192 1.00 0.00 H new ATOM 0 HA THR A 2 4.726 -7.412 -1.267 1.00 0.00 H new ATOM 0 HB THR A 2 7.371 -6.260 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.816 -5.325 -3.419 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.582 -8.155 -3.744 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.673 -8.644 -2.035 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.182 -8.928 -2.964 1.00 0.00 H new ATOM 34 N ALA A 3 7.468 -7.187 0.544 1.00 0.00 N ATOM 35 CA ALA A 3 8.334 -7.857 1.505 1.00 0.00 C ATOM 36 C ALA A 3 7.611 -8.218 2.793 1.00 0.00 C ATOM 37 O ALA A 3 7.816 -9.297 3.350 1.00 0.00 O ATOM 38 CB ALA A 3 9.527 -6.978 1.824 1.00 0.00 C ATOM 0 H ALA A 3 7.746 -6.226 0.343 1.00 0.00 H new ATOM 0 HA ALA A 3 8.662 -8.788 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.170 -7.485 2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.088 -6.781 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.181 -6.035 2.248 1.00 0.00 H new ATOM 44 N ASN A 4 6.767 -7.342 3.252 1.00 0.00 N ATOM 45 CA ASN A 4 6.106 -7.542 4.528 1.00 0.00 C ATOM 46 C ASN A 4 4.802 -8.274 4.408 1.00 0.00 C ATOM 47 O ASN A 4 4.477 -9.096 5.250 1.00 0.00 O ATOM 48 CB ASN A 4 5.924 -6.227 5.281 1.00 0.00 C ATOM 49 CG ASN A 4 7.234 -5.677 5.794 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.661 -5.983 6.914 1.00 0.00 O ATOM 51 ND2 ASN A 4 7.887 -4.883 5.003 1.00 0.00 N ATOM 0 H ASN A 4 6.514 -6.480 2.770 1.00 0.00 H new ATOM 0 HA ASN A 4 6.771 -8.180 5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.458 -5.495 4.622 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.244 -6.381 6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.781 -4.491 5.298 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.507 -4.651 4.086 1.00 0.00 H new ATOM 58 N LEU A 5 4.063 -8.008 3.368 1.00 0.00 N ATOM 59 CA LEU A 5 2.764 -8.632 3.199 1.00 0.00 C ATOM 60 C LEU A 5 2.911 -9.984 2.527 1.00 0.00 C ATOM 61 O LEU A 5 2.076 -10.866 2.703 1.00 0.00 O ATOM 62 CB LEU A 5 1.882 -7.733 2.357 1.00 0.00 C ATOM 63 CG LEU A 5 1.719 -6.301 2.865 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.057 -5.462 1.809 1.00 0.00 C ATOM 65 CD2 LEU A 5 0.919 -6.261 4.162 1.00 0.00 C ATOM 0 H LEU A 5 4.329 -7.366 2.621 1.00 0.00 H new ATOM 0 HA LEU A 5 2.309 -8.779 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.291 -7.696 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.894 -8.188 2.285 1.00 0.00 H new ATOM 0 HG LEU A 5 2.708 -5.895 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.942 -4.441 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.672 -5.458 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.076 -5.877 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.821 -5.228 4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.071 -6.683 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.435 -6.843 4.926 1.00 0.00 H new ATOM 77 N GLY A 6 3.968 -10.136 1.744 1.00 0.00 N ATOM 78 CA GLY A 6 4.210 -11.396 1.081 1.00 0.00 C ATOM 79 C GLY A 6 3.376 -11.483 -0.153 1.00 0.00 C ATOM 80 O GLY A 6 2.828 -12.532 -0.486 1.00 0.00 O ATOM 0 H GLY A 6 4.660 -9.410 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.266 -11.487 0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.972 -12.222 1.751 1.00 0.00 H new ATOM 84 N ILE A 7 3.267 -10.372 -0.826 1.00 0.00 N ATOM 85 CA ILE A 7 2.418 -10.277 -1.991 1.00 0.00 C ATOM 86 C ILE A 7 3.245 -10.090 -3.230 1.00 0.00 C ATOM 87 O ILE A 7 4.469 -9.995 -3.155 1.00 0.00 O ATOM 88 CB ILE A 7 1.386 -9.124 -1.883 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.084 -7.766 -1.669 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.374 -9.408 -0.779 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.139 -6.582 -1.652 1.00 0.00 C ATOM 0 H ILE A 7 3.758 -9.510 -0.589 1.00 0.00 H new ATOM 0 HA ILE A 7 1.865 -11.214 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 7 0.845 -9.066 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.631 -7.795 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.820 -7.619 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.340 -8.587 -0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.156 -10.335 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.893 -9.506 0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.707 -5.665 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.610 -6.525 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.418 -6.703 -0.843 1.00 0.00 H new ATOM 103 N SER A 8 2.593 -10.037 -4.349 1.00 0.00 N ATOM 104 CA SER A 8 3.248 -9.841 -5.599 1.00 0.00 C ATOM 105 C SER A 8 3.691 -8.384 -5.742 1.00 0.00 C ATOM 106 O SER A 8 3.209 -7.494 -5.007 1.00 0.00 O ATOM 107 CB SER A 8 2.294 -10.243 -6.723 1.00 0.00 C ATOM 108 OG SER A 8 1.053 -9.566 -6.607 1.00 0.00 O ATOM 0 H SER A 8 1.580 -10.130 -4.418 1.00 0.00 H new ATOM 0 HA SER A 8 4.142 -10.462 -5.653 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.747 -10.015 -7.688 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.128 -11.320 -6.695 1.00 0.00 H new ATOM 0 HG SER A 8 0.461 -9.840 -7.339 1.00 0.00 H new ATOM 114 N SER A 9 4.598 -8.134 -6.656 1.00 0.00 N ATOM 115 CA SER A 9 5.044 -6.794 -6.914 1.00 0.00 C ATOM 116 C SER A 9 3.918 -6.052 -7.648 1.00 0.00 C ATOM 117 O SER A 9 3.752 -4.837 -7.510 1.00 0.00 O ATOM 118 CB SER A 9 6.332 -6.836 -7.747 1.00 0.00 C ATOM 119 OG SER A 9 6.933 -5.553 -7.879 1.00 0.00 O ATOM 0 H SER A 9 5.041 -8.848 -7.234 1.00 0.00 H new ATOM 0 HA SER A 9 5.270 -6.268 -5.987 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.041 -7.520 -7.281 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.109 -7.234 -8.737 1.00 0.00 H new ATOM 0 HG SER A 9 7.750 -5.628 -8.415 1.00 0.00 H new ATOM 125 N TYR A 10 3.123 -6.825 -8.386 1.00 0.00 N ATOM 126 CA TYR A 10 1.965 -6.330 -9.110 1.00 0.00 C ATOM 127 C TYR A 10 0.950 -5.761 -8.121 1.00 0.00 C ATOM 128 O TYR A 10 0.566 -4.595 -8.215 1.00 0.00 O ATOM 129 CB TYR A 10 1.334 -7.490 -9.896 1.00 0.00 C ATOM 130 CG TYR A 10 0.176 -7.117 -10.813 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.122 -6.955 -10.325 1.00 0.00 C ATOM 132 CD2 TYR A 10 0.378 -6.967 -12.177 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.161 -6.655 -11.166 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.669 -6.656 -13.022 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.936 -6.504 -12.505 1.00 0.00 C ATOM 136 OH TYR A 10 -2.989 -6.180 -13.336 1.00 0.00 O ATOM 0 H TYR A 10 3.272 -7.828 -8.496 1.00 0.00 H new ATOM 0 HA TYR A 10 2.268 -5.543 -9.801 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.111 -7.962 -10.497 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.983 -8.238 -9.185 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.310 -7.068 -9.268 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.370 -7.095 -12.585 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.159 -6.538 -10.770 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.495 -6.533 -14.081 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.667 -6.107 -14.259 1.00 0.00 H new ATOM 146 N ALA A 11 0.543 -6.592 -7.157 1.00 0.00 N ATOM 147 CA ALA A 11 -0.437 -6.195 -6.157 1.00 0.00 C ATOM 148 C ALA A 11 0.063 -5.037 -5.334 1.00 0.00 C ATOM 149 O ALA A 11 -0.697 -4.132 -5.037 1.00 0.00 O ATOM 150 CB ALA A 11 -0.806 -7.365 -5.262 1.00 0.00 C ATOM 0 H ALA A 11 0.883 -7.548 -7.053 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.334 -5.872 -6.685 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.540 -7.041 -4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.230 -8.167 -5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.086 -7.728 -4.752 1.00 0.00 H new ATOM 156 N ALA A 12 1.346 -5.050 -5.003 1.00 0.00 N ATOM 157 CA ALA A 12 1.945 -3.975 -4.222 1.00 0.00 C ATOM 158 C ALA A 12 1.863 -2.655 -4.962 1.00 0.00 C ATOM 159 O ALA A 12 1.522 -1.634 -4.378 1.00 0.00 O ATOM 160 CB ALA A 12 3.380 -4.292 -3.891 1.00 0.00 C ATOM 0 H ALA A 12 1.994 -5.794 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 12 1.382 -3.886 -3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.808 -3.476 -3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.425 -5.214 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.948 -4.415 -4.813 1.00 0.00 H new ATOM 166 N LYS A 13 2.140 -2.694 -6.258 1.00 0.00 N ATOM 167 CA LYS A 13 2.095 -1.506 -7.096 1.00 0.00 C ATOM 168 C LYS A 13 0.655 -0.998 -7.168 1.00 0.00 C ATOM 169 O LYS A 13 0.396 0.210 -7.168 1.00 0.00 O ATOM 170 CB LYS A 13 2.596 -1.844 -8.496 1.00 0.00 C ATOM 171 CG LYS A 13 2.914 -0.632 -9.364 1.00 0.00 C ATOM 172 CD LYS A 13 3.270 -1.032 -10.797 1.00 0.00 C ATOM 173 CE LYS A 13 4.426 -2.035 -10.864 1.00 0.00 C ATOM 174 NZ LYS A 13 5.680 -1.518 -10.258 1.00 0.00 N ATOM 0 H LYS A 13 2.401 -3.546 -6.755 1.00 0.00 H new ATOM 0 HA LYS A 13 2.733 -0.732 -6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.493 -2.458 -8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.843 -2.449 -9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.056 0.040 -9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.744 -0.079 -8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.392 -1.464 -11.277 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.536 -0.139 -11.363 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.134 -2.952 -10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.613 -2.296 -11.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.430 -2.233 -10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.970 -0.648 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.519 -1.310 -9.252 1.00 0.00 H new ATOM 188 N LYS A 14 -0.272 -1.934 -7.210 1.00 0.00 N ATOM 189 CA LYS A 14 -1.677 -1.614 -7.213 1.00 0.00 C ATOM 190 C LYS A 14 -2.099 -0.955 -5.911 1.00 0.00 C ATOM 191 O LYS A 14 -2.860 0.023 -5.926 1.00 0.00 O ATOM 192 CB LYS A 14 -2.521 -2.832 -7.513 1.00 0.00 C ATOM 193 CG LYS A 14 -2.344 -3.330 -8.923 1.00 0.00 C ATOM 194 CD LYS A 14 -3.502 -4.190 -9.350 1.00 0.00 C ATOM 195 CE LYS A 14 -4.783 -3.380 -9.525 1.00 0.00 C ATOM 196 NZ LYS A 14 -4.630 -2.329 -10.544 1.00 0.00 N ATOM 0 H LYS A 14 -0.069 -2.933 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.845 -0.894 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.262 -3.629 -6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.571 -2.591 -7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.249 -2.482 -9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.418 -3.901 -8.995 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.257 -4.688 -10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.666 -4.971 -8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.598 -4.046 -9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.059 -2.926 -8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.569 -1.996 -10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.091 -1.534 -10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.122 -2.714 -11.366 1.00 0.00 H new ATOM 210 N VAL A 15 -1.605 -1.493 -4.792 1.00 0.00 N ATOM 211 CA VAL A 15 -1.816 -0.892 -3.466 1.00 0.00 C ATOM 212 C VAL A 15 -1.306 0.546 -3.471 1.00 0.00 C ATOM 213 O VAL A 15 -1.976 1.449 -2.969 1.00 0.00 O ATOM 214 CB VAL A 15 -1.078 -1.676 -2.333 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.279 -1.012 -0.975 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.534 -3.115 -2.273 1.00 0.00 C ATOM 0 H VAL A 15 -1.052 -2.350 -4.776 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.886 -0.928 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.015 -1.658 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.753 -1.582 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.886 0.004 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.343 -0.982 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.002 -3.632 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.606 -3.149 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.324 -3.603 -3.225 1.00 0.00 H new ATOM 226 N ILE A 16 -0.129 0.740 -4.072 1.00 0.00 N ATOM 227 CA ILE A 16 0.509 2.049 -4.199 1.00 0.00 C ATOM 228 C ILE A 16 -0.424 3.063 -4.837 1.00 0.00 C ATOM 229 O ILE A 16 -0.632 4.147 -4.290 1.00 0.00 O ATOM 230 CB ILE A 16 1.822 1.959 -5.020 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.882 1.146 -4.276 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.353 3.332 -5.409 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.264 1.693 -2.913 1.00 0.00 C ATOM 0 H ILE A 16 0.412 -0.018 -4.488 1.00 0.00 H new ATOM 0 HA ILE A 16 0.748 2.383 -3.190 1.00 0.00 H new ATOM 0 HB ILE A 16 1.584 1.437 -5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.517 0.126 -4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.778 1.092 -4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.273 3.217 -5.982 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.610 3.851 -6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.556 3.912 -4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.021 1.051 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.663 2.701 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.383 1.720 -2.272 1.00 0.00 H new ATOM 245 N ASP A 17 -0.999 2.701 -5.969 1.00 0.00 N ATOM 246 CA ASP A 17 -1.919 3.591 -6.676 1.00 0.00 C ATOM 247 C ASP A 17 -3.098 3.961 -5.797 1.00 0.00 C ATOM 248 O ASP A 17 -3.516 5.104 -5.756 1.00 0.00 O ATOM 249 CB ASP A 17 -2.407 2.970 -7.993 1.00 0.00 C ATOM 250 CG ASP A 17 -3.457 3.822 -8.699 1.00 0.00 C ATOM 251 OD1 ASP A 17 -3.115 4.866 -9.290 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.648 3.464 -8.676 1.00 0.00 O ATOM 0 H ASP A 17 -0.850 1.800 -6.423 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.368 4.500 -6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.556 2.827 -8.658 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.823 1.983 -7.791 1.00 0.00 H new ATOM 257 N ILE A 18 -3.574 3.018 -5.037 1.00 0.00 N ATOM 258 CA ILE A 18 -4.729 3.249 -4.189 1.00 0.00 C ATOM 259 C ILE A 18 -4.355 4.132 -2.987 1.00 0.00 C ATOM 260 O ILE A 18 -5.009 5.140 -2.730 1.00 0.00 O ATOM 261 CB ILE A 18 -5.325 1.927 -3.671 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.632 0.986 -4.829 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.585 2.200 -2.860 1.00 0.00 C ATOM 264 CD1 ILE A 18 -5.969 -0.419 -4.398 1.00 0.00 C ATOM 0 H ILE A 18 -3.186 2.076 -4.980 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.475 3.757 -4.800 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.590 1.446 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.466 1.390 -5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.772 0.955 -5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.997 1.257 -2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.340 2.838 -2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.321 2.701 -3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.175 -1.030 -5.277 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.127 -0.843 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.848 -0.401 -3.754 1.00 0.00 H new ATOM 276 N ILE A 19 -3.305 3.759 -2.266 1.00 0.00 N ATOM 277 CA ILE A 19 -2.883 4.528 -1.090 1.00 0.00 C ATOM 278 C ILE A 19 -2.432 5.939 -1.468 1.00 0.00 C ATOM 279 O ILE A 19 -2.529 6.854 -0.665 1.00 0.00 O ATOM 280 CB ILE A 19 -1.752 3.843 -0.262 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.483 3.674 -1.107 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.223 2.504 0.302 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.701 3.118 -0.359 1.00 0.00 C ATOM 0 H ILE A 19 -2.732 2.939 -2.467 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.772 4.577 -0.461 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.508 4.491 0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.707 3.016 -1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.209 4.643 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.416 2.047 0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.083 2.665 0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.506 1.843 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.552 3.033 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.957 3.785 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.452 2.133 0.036 1.00 0.00 H new ATOM 295 N ASN A 20 -1.936 6.114 -2.677 1.00 0.00 N ATOM 296 CA ASN A 20 -1.474 7.420 -3.107 1.00 0.00 C ATOM 297 C ASN A 20 -2.671 8.280 -3.490 1.00 0.00 C ATOM 298 O ASN A 20 -2.711 9.468 -3.194 1.00 0.00 O ATOM 299 CB ASN A 20 -0.520 7.297 -4.298 1.00 0.00 C ATOM 300 CG ASN A 20 0.373 8.523 -4.511 1.00 0.00 C ATOM 301 OD1 ASN A 20 0.028 9.659 -4.157 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.519 8.297 -5.113 1.00 0.00 N ATOM 0 H ASN A 20 -1.843 5.375 -3.374 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.933 7.887 -2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.112 6.421 -4.155 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.104 7.125 -5.202 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.157 9.070 -5.303 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.771 7.348 -5.391 1.00 0.00 H new ATOM 309 N THR A 21 -3.666 7.669 -4.105 1.00 0.00 N ATOM 310 CA THR A 21 -4.834 8.401 -4.534 1.00 0.00 C ATOM 311 C THR A 21 -5.768 8.704 -3.364 1.00 0.00 C ATOM 312 O THR A 21 -6.097 9.871 -3.105 1.00 0.00 O ATOM 313 CB THR A 21 -5.609 7.649 -5.649 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.915 6.311 -5.224 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.791 7.560 -6.905 1.00 0.00 C ATOM 0 H THR A 21 -3.686 6.671 -4.316 1.00 0.00 H new ATOM 0 HA THR A 21 -4.475 9.345 -4.944 1.00 0.00 H new ATOM 0 HB THR A 21 -6.525 8.207 -5.845 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.142 5.731 -5.386 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.356 7.029 -7.671 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.556 8.564 -7.258 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.865 7.022 -6.699 1.00 0.00 H new ATOM 323 N GLY A 22 -6.130 7.660 -2.634 1.00 0.00 N ATOM 324 CA GLY A 22 -7.097 7.746 -1.566 1.00 0.00 C ATOM 325 C GLY A 22 -6.685 8.644 -0.428 1.00 0.00 C ATOM 326 O GLY A 22 -5.488 8.788 -0.117 1.00 0.00 O ATOM 0 H GLY A 22 -5.753 6.722 -2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.041 8.106 -1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.280 6.745 -1.176 1.00 0.00 H new ATOM 330 N SER A 23 -7.664 9.226 0.196 1.00 0.00 N ATOM 331 CA SER A 23 -7.466 10.147 1.277 1.00 0.00 C ATOM 332 C SER A 23 -7.752 9.492 2.622 1.00 0.00 C ATOM 333 O SER A 23 -6.832 9.205 3.400 1.00 0.00 O ATOM 334 CB SER A 23 -8.384 11.339 1.075 1.00 0.00 C ATOM 335 OG SER A 23 -8.018 12.080 -0.084 1.00 0.00 O ATOM 0 H SER A 23 -8.645 9.071 -0.036 1.00 0.00 H new ATOM 0 HA SER A 23 -6.424 10.468 1.281 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.414 10.996 0.980 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.343 11.986 1.951 1.00 0.00 H new ATOM 0 HG SER A 23 -8.626 12.841 -0.191 1.00 0.00 H new ATOM 341 N ALA A 24 -9.019 9.249 2.874 1.00 0.00 N ATOM 342 CA ALA A 24 -9.465 8.653 4.114 1.00 0.00 C ATOM 343 C ALA A 24 -8.996 7.222 4.212 1.00 0.00 C ATOM 344 O ALA A 24 -9.180 6.441 3.274 1.00 0.00 O ATOM 345 CB ALA A 24 -10.972 8.719 4.226 1.00 0.00 C ATOM 0 H ALA A 24 -9.773 9.460 2.221 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.032 9.219 4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.287 8.265 5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.294 9.760 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.423 8.179 3.393 1.00 0.00 H new ATOM 351 N VAL A 25 -8.417 6.884 5.345 1.00 0.00 N ATOM 352 CA VAL A 25 -7.857 5.562 5.594 1.00 0.00 C ATOM 353 C VAL A 25 -8.891 4.470 5.373 1.00 0.00 C ATOM 354 O VAL A 25 -8.635 3.521 4.644 1.00 0.00 O ATOM 355 CB VAL A 25 -7.255 5.450 7.021 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.674 4.063 7.272 1.00 0.00 C ATOM 357 CG2 VAL A 25 -6.186 6.506 7.229 1.00 0.00 C ATOM 0 H VAL A 25 -8.318 7.525 6.133 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.050 5.423 4.875 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.062 5.614 7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.261 4.018 8.280 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.460 3.315 7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.885 3.862 6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.774 6.414 8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.391 6.368 6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.624 7.496 7.106 1.00 0.00 H new ATOM 367 N ALA A 26 -10.074 4.648 5.941 1.00 0.00 N ATOM 368 CA ALA A 26 -11.150 3.662 5.816 1.00 0.00 C ATOM 369 C ALA A 26 -11.591 3.495 4.357 1.00 0.00 C ATOM 370 O ALA A 26 -11.996 2.396 3.933 1.00 0.00 O ATOM 371 CB ALA A 26 -12.327 4.048 6.691 1.00 0.00 C ATOM 0 H ALA A 26 -10.319 5.468 6.496 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.764 2.701 6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.117 3.305 6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.007 4.093 7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.704 5.024 6.385 1.00 0.00 H new ATOM 377 N THR A 27 -11.472 4.561 3.590 1.00 0.00 N ATOM 378 CA THR A 27 -11.828 4.541 2.193 1.00 0.00 C ATOM 379 C THR A 27 -10.783 3.730 1.422 1.00 0.00 C ATOM 380 O THR A 27 -11.119 2.874 0.590 1.00 0.00 O ATOM 381 CB THR A 27 -11.907 5.987 1.665 1.00 0.00 C ATOM 382 OG1 THR A 27 -12.818 6.713 2.503 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.401 6.031 0.225 1.00 0.00 C ATOM 0 H THR A 27 -11.126 5.462 3.921 1.00 0.00 H new ATOM 0 HA THR A 27 -12.803 4.072 2.057 1.00 0.00 H new ATOM 0 HB THR A 27 -10.911 6.429 1.686 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.959 7.610 2.133 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.444 7.066 -0.113 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.717 5.469 -0.412 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.396 5.589 0.168 1.00 0.00 H new ATOM 391 N ILE A 28 -9.526 3.961 1.764 1.00 0.00 N ATOM 392 CA ILE A 28 -8.415 3.257 1.168 1.00 0.00 C ATOM 393 C ILE A 28 -8.517 1.780 1.506 1.00 0.00 C ATOM 394 O ILE A 28 -8.436 0.951 0.621 1.00 0.00 O ATOM 395 CB ILE A 28 -7.077 3.844 1.674 1.00 0.00 C ATOM 396 CG1 ILE A 28 -6.996 5.321 1.321 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.888 3.103 1.086 1.00 0.00 C ATOM 398 CD1 ILE A 28 -5.857 6.040 1.986 1.00 0.00 C ATOM 0 H ILE A 28 -9.252 4.647 2.467 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.447 3.376 0.085 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.043 3.725 2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.896 5.422 0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.932 5.804 1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.964 3.541 1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.935 2.053 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.911 3.183 -0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.864 7.088 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.966 5.971 3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.914 5.583 1.686 1.00 0.00 H new ATOM 410 N ILE A 29 -8.740 1.480 2.783 1.00 0.00 N ATOM 411 CA ILE A 29 -8.924 0.095 3.281 1.00 0.00 C ATOM 412 C ILE A 29 -9.878 -0.704 2.403 1.00 0.00 C ATOM 413 O ILE A 29 -9.543 -1.818 1.955 1.00 0.00 O ATOM 414 CB ILE A 29 -9.462 0.076 4.753 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.436 0.652 5.707 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.859 -1.336 5.203 1.00 0.00 C ATOM 417 CD1 ILE A 29 -7.167 -0.139 5.749 1.00 0.00 C ATOM 0 H ILE A 29 -8.801 2.187 3.516 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.938 -0.368 3.250 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.358 0.697 4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.209 1.677 5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.864 0.696 6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.226 -1.301 6.229 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.643 -1.719 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.990 -1.992 5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.473 0.324 6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.384 -1.157 6.072 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.719 -0.161 4.756 1.00 0.00 H new ATOM 429 N ALA A 30 -11.032 -0.128 2.124 1.00 0.00 N ATOM 430 CA ALA A 30 -12.045 -0.800 1.342 1.00 0.00 C ATOM 431 C ALA A 30 -11.547 -1.063 -0.066 1.00 0.00 C ATOM 432 O ALA A 30 -11.737 -2.160 -0.610 1.00 0.00 O ATOM 433 CB ALA A 30 -13.332 0.010 1.326 1.00 0.00 C ATOM 0 H ALA A 30 -11.290 0.810 2.431 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.259 -1.762 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.083 -0.512 0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.697 0.133 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.140 0.990 0.888 1.00 0.00 H new ATOM 439 N LEU A 31 -10.850 -0.095 -0.622 1.00 0.00 N ATOM 440 CA LEU A 31 -10.358 -0.213 -1.974 1.00 0.00 C ATOM 441 C LEU A 31 -9.220 -1.231 -2.064 1.00 0.00 C ATOM 442 O LEU A 31 -9.248 -2.123 -2.908 1.00 0.00 O ATOM 443 CB LEU A 31 -9.920 1.147 -2.505 1.00 0.00 C ATOM 444 CG LEU A 31 -11.012 2.220 -2.611 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.417 3.536 -3.076 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.120 1.776 -3.559 1.00 0.00 C ATOM 0 H LEU A 31 -10.612 0.781 -0.157 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.173 -0.577 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.128 1.527 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.484 1.004 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.446 2.362 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.204 4.287 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.663 3.867 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.956 3.401 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.882 2.553 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.702 1.602 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.569 0.855 -3.188 1.00 0.00 H new ATOM 458 N VAL A 32 -8.260 -1.140 -1.154 1.00 0.00 N ATOM 459 CA VAL A 32 -7.093 -2.022 -1.185 1.00 0.00 C ATOM 460 C VAL A 32 -7.518 -3.467 -0.946 1.00 0.00 C ATOM 461 O VAL A 32 -7.057 -4.384 -1.634 1.00 0.00 O ATOM 462 CB VAL A 32 -6.002 -1.641 -0.140 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.714 -2.363 -0.424 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.740 -0.167 -0.104 1.00 0.00 C ATOM 0 H VAL A 32 -8.262 -0.468 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.654 -1.905 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.388 -1.943 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.967 -2.081 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.882 -3.439 -0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.357 -2.093 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.972 0.048 0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.399 0.166 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.658 0.359 0.159 1.00 0.00 H new ATOM 474 N THR A 33 -8.436 -3.669 -0.020 1.00 0.00 N ATOM 475 CA THR A 33 -8.882 -5.003 0.301 1.00 0.00 C ATOM 476 C THR A 33 -9.708 -5.597 -0.858 1.00 0.00 C ATOM 477 O THR A 33 -9.710 -6.803 -1.076 1.00 0.00 O ATOM 478 CB THR A 33 -9.681 -5.025 1.615 1.00 0.00 C ATOM 479 OG1 THR A 33 -8.916 -4.352 2.640 1.00 0.00 O ATOM 480 CG2 THR A 33 -9.928 -6.457 2.056 1.00 0.00 C ATOM 0 H THR A 33 -8.883 -2.927 0.519 1.00 0.00 H new ATOM 0 HA THR A 33 -7.998 -5.625 0.443 1.00 0.00 H new ATOM 0 HB THR A 33 -10.637 -4.525 1.458 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.135 -3.397 2.638 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.494 -6.458 2.987 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.494 -6.982 1.286 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.973 -6.960 2.211 1.00 0.00 H new ATOM 488 N ALA A 34 -10.345 -4.742 -1.635 1.00 0.00 N ATOM 489 CA ALA A 34 -11.115 -5.202 -2.781 1.00 0.00 C ATOM 490 C ALA A 34 -10.173 -5.682 -3.881 1.00 0.00 C ATOM 491 O ALA A 34 -10.470 -6.626 -4.618 1.00 0.00 O ATOM 492 CB ALA A 34 -12.008 -4.084 -3.306 1.00 0.00 C ATOM 0 H ALA A 34 -10.347 -3.731 -1.497 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.748 -6.032 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.577 -4.445 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.695 -3.768 -2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.391 -3.238 -3.610 1.00 0.00 H new ATOM 498 N VAL A 35 -9.020 -5.058 -3.942 1.00 0.00 N ATOM 499 CA VAL A 35 -8.044 -5.317 -4.975 1.00 0.00 C ATOM 500 C VAL A 35 -7.114 -6.483 -4.629 1.00 0.00 C ATOM 501 O VAL A 35 -6.835 -7.340 -5.483 1.00 0.00 O ATOM 502 CB VAL A 35 -7.225 -4.032 -5.268 1.00 0.00 C ATOM 503 CG1 VAL A 35 -6.100 -4.282 -6.258 1.00 0.00 C ATOM 504 CG2 VAL A 35 -8.149 -2.955 -5.797 1.00 0.00 C ATOM 0 H VAL A 35 -8.730 -4.349 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.591 -5.610 -5.871 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.768 -3.708 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.555 -3.354 -6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.420 -5.032 -5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.517 -4.640 -7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.575 -2.052 -6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.623 -3.301 -6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.915 -2.736 -5.054 1.00 0.00 H new ATOM 514 N VAL A 36 -6.627 -6.524 -3.409 1.00 0.00 N ATOM 515 CA VAL A 36 -5.675 -7.579 -3.046 1.00 0.00 C ATOM 516 C VAL A 36 -6.322 -8.717 -2.276 1.00 0.00 C ATOM 517 O VAL A 36 -5.856 -9.863 -2.350 1.00 0.00 O ATOM 518 CB VAL A 36 -4.444 -7.053 -2.248 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.747 -5.934 -3.001 1.00 0.00 C ATOM 520 CG2 VAL A 36 -4.813 -6.616 -0.825 1.00 0.00 C ATOM 0 H VAL A 36 -6.858 -5.867 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.321 -7.961 -4.004 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.748 -7.886 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.892 -5.584 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.405 -6.304 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.443 -5.109 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.921 -6.258 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.551 -5.816 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.229 -7.464 -0.281 1.00 0.00 H new ATOM 530 N GLY A 37 -7.389 -8.413 -1.561 1.00 0.00 N ATOM 531 CA GLY A 37 -8.036 -9.393 -0.713 1.00 0.00 C ATOM 532 C GLY A 37 -7.182 -9.769 0.497 1.00 0.00 C ATOM 533 O GLY A 37 -6.053 -9.286 0.658 1.00 0.00 O ATOM 0 H GLY A 37 -7.826 -7.492 -1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.993 -8.999 -0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.251 -10.289 -1.296 1.00 0.00 H new ATOM 537 N GLY A 38 -7.736 -10.560 1.375 1.00 0.00 N ATOM 538 CA GLY A 38 -6.982 -11.087 2.495 1.00 0.00 C ATOM 539 C GLY A 38 -6.846 -10.139 3.658 1.00 0.00 C ATOM 540 O GLY A 38 -6.204 -10.460 4.633 1.00 0.00 O ATOM 0 H GLY A 38 -8.711 -10.859 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.463 -12.001 2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.986 -11.362 2.149 1.00 0.00 H new ATOM 544 N GLY A 39 -7.370 -8.945 3.505 1.00 0.00 N ATOM 545 CA GLY A 39 -7.390 -7.929 4.578 1.00 0.00 C ATOM 546 C GLY A 39 -6.003 -7.547 5.091 1.00 0.00 C ATOM 547 O GLY A 39 -5.871 -6.924 6.154 1.00 0.00 O ATOM 0 H GLY A 39 -7.801 -8.632 2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.890 -7.034 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.984 -8.305 5.411 1.00 0.00 H new ATOM 551 N LEU A 40 -4.992 -7.946 4.335 1.00 0.00 N ATOM 552 CA LEU A 40 -3.578 -7.719 4.654 1.00 0.00 C ATOM 553 C LEU A 40 -3.271 -6.246 4.933 1.00 0.00 C ATOM 554 O LEU A 40 -2.699 -5.891 5.988 1.00 0.00 O ATOM 555 CB LEU A 40 -2.707 -8.245 3.510 1.00 0.00 C ATOM 556 CG LEU A 40 -2.801 -9.752 3.228 1.00 0.00 C ATOM 557 CD1 LEU A 40 -1.950 -10.125 2.031 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.374 -10.558 4.448 1.00 0.00 C ATOM 0 H LEU A 40 -5.128 -8.450 3.459 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.350 -8.263 5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.975 -7.708 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.668 -8.001 3.730 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.841 -9.989 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.030 -11.196 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.297 -9.580 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.910 -9.868 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.449 -11.622 4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.343 -10.312 4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.024 -10.317 5.289 1.00 0.00 H new ATOM 570 N ILE A 41 -3.637 -5.390 4.017 1.00 0.00 N ATOM 571 CA ILE A 41 -3.428 -3.996 4.219 1.00 0.00 C ATOM 572 C ILE A 41 -4.464 -3.473 5.191 1.00 0.00 C ATOM 573 O ILE A 41 -5.645 -3.317 4.860 1.00 0.00 O ATOM 574 CB ILE A 41 -3.405 -3.146 2.901 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.246 -3.562 1.972 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.292 -1.663 3.216 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.465 -4.843 1.208 1.00 0.00 C ATOM 0 H ILE A 41 -4.078 -5.639 3.132 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.427 -3.884 4.636 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.346 -3.336 2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.067 -2.758 1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.341 -3.665 2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.278 -1.094 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.146 -1.353 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.371 -1.478 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.595 -5.048 0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.611 -5.665 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.348 -4.744 0.577 1.00 0.00 H new ATOM 589 N THR A 42 -4.033 -3.300 6.395 1.00 0.00 N ATOM 590 CA THR A 42 -4.850 -2.770 7.438 1.00 0.00 C ATOM 591 C THR A 42 -4.612 -1.276 7.560 1.00 0.00 C ATOM 592 O THR A 42 -3.770 -0.720 6.835 1.00 0.00 O ATOM 593 CB THR A 42 -4.475 -3.442 8.760 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.043 -3.394 8.911 1.00 0.00 O ATOM 595 CG2 THR A 42 -4.950 -4.884 8.801 1.00 0.00 C ATOM 0 H THR A 42 -3.083 -3.527 6.689 1.00 0.00 H new ATOM 0 HA THR A 42 -5.899 -2.957 7.208 1.00 0.00 H new ATOM 0 HB THR A 42 -4.962 -2.910 9.577 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.789 -3.820 9.756 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.668 -5.333 9.753 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.034 -4.913 8.693 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.489 -5.442 7.986 1.00 0.00 H new ATOM 603 N ALA A 43 -5.359 -0.618 8.448 1.00 0.00 N ATOM 604 CA ALA A 43 -5.206 0.818 8.692 1.00 0.00 C ATOM 605 C ALA A 43 -3.780 1.125 9.099 1.00 0.00 C ATOM 606 O ALA A 43 -3.215 2.172 8.726 1.00 0.00 O ATOM 607 CB ALA A 43 -6.192 1.291 9.755 1.00 0.00 C ATOM 0 H ALA A 43 -6.082 -1.061 9.015 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.426 1.357 7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.062 2.360 9.922 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.210 1.097 9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.009 0.754 10.686 1.00 0.00 H new ATOM 613 N GLY A 44 -3.193 0.188 9.830 1.00 0.00 N ATOM 614 CA GLY A 44 -1.822 0.274 10.221 1.00 0.00 C ATOM 615 C GLY A 44 -0.902 0.263 9.022 1.00 0.00 C ATOM 616 O GLY A 44 0.018 1.072 8.937 1.00 0.00 O ATOM 0 H GLY A 44 -3.669 -0.651 10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.663 1.187 10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.577 -0.561 10.877 1.00 0.00 H new ATOM 620 N ILE A 45 -1.174 -0.615 8.067 1.00 0.00 N ATOM 621 CA ILE A 45 -0.358 -0.702 6.866 1.00 0.00 C ATOM 622 C ILE A 45 -0.536 0.549 6.012 1.00 0.00 C ATOM 623 O ILE A 45 0.448 1.118 5.551 1.00 0.00 O ATOM 624 CB ILE A 45 -0.656 -1.990 6.034 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.300 -3.250 6.838 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.108 -1.984 4.705 1.00 0.00 C ATOM 627 CD1 ILE A 45 1.177 -3.367 7.182 1.00 0.00 C ATOM 0 H ILE A 45 -1.951 -1.275 8.101 1.00 0.00 H new ATOM 0 HA ILE A 45 0.682 -0.768 7.186 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.724 -2.000 5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.879 -3.255 7.761 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.601 -4.129 6.268 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.121 -2.894 4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.190 -1.116 4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.179 -1.939 4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.347 -4.282 7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.763 -3.395 6.264 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.481 -2.508 7.780 1.00 0.00 H new ATOM 639 N VAL A 46 -1.783 0.999 5.862 1.00 0.00 N ATOM 640 CA VAL A 46 -2.098 2.204 5.084 1.00 0.00 C ATOM 641 C VAL A 46 -1.319 3.413 5.614 1.00 0.00 C ATOM 642 O VAL A 46 -0.620 4.083 4.860 1.00 0.00 O ATOM 643 CB VAL A 46 -3.632 2.522 5.088 1.00 0.00 C ATOM 644 CG1 VAL A 46 -3.949 3.830 4.373 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.397 1.410 4.428 1.00 0.00 C ATOM 0 H VAL A 46 -2.599 0.544 6.272 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.798 2.004 4.056 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.932 2.619 6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.024 4.009 4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.431 4.651 4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.619 3.767 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.461 1.645 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.060 1.298 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.226 0.479 4.969 1.00 0.00 H new ATOM 655 N ALA A 47 -1.398 3.643 6.921 1.00 0.00 N ATOM 656 CA ALA A 47 -0.728 4.781 7.550 1.00 0.00 C ATOM 657 C ALA A 47 0.790 4.661 7.452 1.00 0.00 C ATOM 658 O ALA A 47 1.492 5.662 7.274 1.00 0.00 O ATOM 659 CB ALA A 47 -1.156 4.918 8.997 1.00 0.00 C ATOM 0 H ALA A 47 -1.921 3.055 7.569 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.026 5.679 7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.647 5.770 9.448 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.234 5.073 9.045 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.895 4.010 9.541 1.00 0.00 H new ATOM 665 N THR A 48 1.289 3.445 7.555 1.00 0.00 N ATOM 666 CA THR A 48 2.708 3.201 7.448 1.00 0.00 C ATOM 667 C THR A 48 3.182 3.481 6.019 1.00 0.00 C ATOM 668 O THR A 48 4.162 4.200 5.805 1.00 0.00 O ATOM 669 CB THR A 48 3.051 1.749 7.845 1.00 0.00 C ATOM 670 OG1 THR A 48 2.584 1.492 9.190 1.00 0.00 O ATOM 671 CG2 THR A 48 4.548 1.509 7.770 1.00 0.00 C ATOM 0 H THR A 48 0.727 2.609 7.713 1.00 0.00 H new ATOM 0 HA THR A 48 3.223 3.873 8.135 1.00 0.00 H new ATOM 0 HB THR A 48 2.557 1.072 7.148 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.606 1.436 9.191 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.766 0.479 8.054 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.894 1.686 6.752 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.060 2.189 8.450 1.00 0.00 H new ATOM 679 N ALA A 49 2.452 2.949 5.056 1.00 0.00 N ATOM 680 CA ALA A 49 2.762 3.131 3.659 1.00 0.00 C ATOM 681 C ALA A 49 2.691 4.612 3.285 1.00 0.00 C ATOM 682 O ALA A 49 3.542 5.102 2.558 1.00 0.00 O ATOM 683 CB ALA A 49 1.843 2.284 2.807 1.00 0.00 C ATOM 0 H ALA A 49 1.625 2.377 5.227 1.00 0.00 H new ATOM 0 HA ALA A 49 3.783 2.799 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.086 2.429 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.971 1.233 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.809 2.578 2.984 1.00 0.00 H new ATOM 689 N LYS A 50 1.694 5.321 3.837 1.00 0.00 N ATOM 690 CA LYS A 50 1.563 6.784 3.678 1.00 0.00 C ATOM 691 C LYS A 50 2.848 7.495 4.092 1.00 0.00 C ATOM 692 O LYS A 50 3.309 8.422 3.418 1.00 0.00 O ATOM 693 CB LYS A 50 0.414 7.331 4.540 1.00 0.00 C ATOM 694 CG LYS A 50 -0.995 7.107 4.012 1.00 0.00 C ATOM 695 CD LYS A 50 -1.257 7.938 2.769 1.00 0.00 C ATOM 696 CE LYS A 50 -2.718 7.893 2.368 1.00 0.00 C ATOM 697 NZ LYS A 50 -2.994 8.738 1.190 1.00 0.00 N ATOM 0 H LYS A 50 0.957 4.902 4.404 1.00 0.00 H new ATOM 0 HA LYS A 50 1.357 6.973 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.484 6.878 5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.564 8.403 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.136 6.051 3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.720 7.365 4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.960 8.971 2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.642 7.570 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.003 6.864 2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.334 8.224 3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.021 8.857 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.550 9.669 1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.606 8.284 0.339 1.00 0.00 H new ATOM 711 N SER A 51 3.419 7.049 5.181 1.00 0.00 N ATOM 712 CA SER A 51 4.618 7.632 5.700 1.00 0.00 C ATOM 713 C SER A 51 5.827 7.276 4.843 1.00 0.00 C ATOM 714 O SER A 51 6.650 8.143 4.542 1.00 0.00 O ATOM 715 CB SER A 51 4.814 7.196 7.145 1.00 0.00 C ATOM 716 OG SER A 51 3.712 7.613 7.943 1.00 0.00 O ATOM 0 H SER A 51 3.060 6.268 5.731 1.00 0.00 H new ATOM 0 HA SER A 51 4.520 8.717 5.672 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.917 6.112 7.194 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.737 7.622 7.538 1.00 0.00 H new ATOM 0 HG SER A 51 2.952 7.014 7.790 1.00 0.00 H new ATOM 722 N LEU A 52 5.910 6.027 4.419 1.00 0.00 N ATOM 723 CA LEU A 52 7.031 5.570 3.617 1.00 0.00 C ATOM 724 C LEU A 52 7.031 6.242 2.254 1.00 0.00 C ATOM 725 O LEU A 52 8.085 6.614 1.753 1.00 0.00 O ATOM 726 CB LEU A 52 7.002 4.057 3.451 1.00 0.00 C ATOM 727 CG LEU A 52 6.929 3.252 4.740 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.707 1.808 4.420 1.00 0.00 C ATOM 729 CD2 LEU A 52 8.195 3.414 5.561 1.00 0.00 C ATOM 0 H LEU A 52 5.212 5.310 4.617 1.00 0.00 H new ATOM 0 HA LEU A 52 7.946 5.844 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.144 3.795 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.895 3.753 2.905 1.00 0.00 H new ATOM 0 HG LEU A 52 6.094 3.627 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.655 1.234 5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.772 1.697 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.532 1.439 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.113 2.827 6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.051 3.066 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.332 4.465 5.815 1.00 0.00 H new ATOM 741 N ILE A 53 5.848 6.435 1.667 1.00 0.00 N ATOM 742 CA ILE A 53 5.758 7.090 0.363 1.00 0.00 C ATOM 743 C ILE A 53 6.050 8.581 0.478 1.00 0.00 C ATOM 744 O ILE A 53 6.552 9.195 -0.462 1.00 0.00 O ATOM 745 CB ILE A 53 4.387 6.876 -0.379 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.220 7.551 0.367 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.110 5.394 -0.557 1.00 0.00 C ATOM 748 CD1 ILE A 53 1.874 7.433 -0.333 1.00 0.00 C ATOM 0 H ILE A 53 4.953 6.152 2.067 1.00 0.00 H new ATOM 0 HA ILE A 53 6.519 6.604 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 53 4.467 7.346 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.138 7.112 1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.454 8.607 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.158 5.261 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.908 4.943 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.065 4.912 0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.110 7.935 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.934 7.898 -1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.613 6.381 -0.445 1.00 0.00 H new ATOM 760 N LYS A 54 5.774 9.148 1.646 1.00 0.00 N ATOM 761 CA LYS A 54 5.980 10.560 1.864 1.00 0.00 C ATOM 762 C LYS A 54 7.477 10.885 2.029 1.00 0.00 C ATOM 763 O LYS A 54 7.931 11.957 1.639 1.00 0.00 O ATOM 764 CB LYS A 54 5.162 11.014 3.077 1.00 0.00 C ATOM 765 CG LYS A 54 5.184 12.505 3.356 1.00 0.00 C ATOM 766 CD LYS A 54 4.305 12.834 4.547 1.00 0.00 C ATOM 767 CE LYS A 54 4.353 14.310 4.898 1.00 0.00 C ATOM 768 NZ LYS A 54 5.709 14.756 5.308 1.00 0.00 N ATOM 0 H LYS A 54 5.407 8.644 2.453 1.00 0.00 H new ATOM 0 HA LYS A 54 5.635 11.111 0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.127 10.704 2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.531 10.491 3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.206 12.830 3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.837 13.051 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.276 12.546 4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.625 12.246 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.027 14.895 4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.649 14.511 5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.652 15.713 5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.089 14.101 6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.336 14.767 4.479 1.00 0.00 H new ATOM 782 N LYS A 55 8.238 9.958 2.584 1.00 0.00 N ATOM 783 CA LYS A 55 9.673 10.177 2.752 1.00 0.00 C ATOM 784 C LYS A 55 10.518 9.487 1.701 1.00 0.00 C ATOM 785 O LYS A 55 11.330 10.128 1.029 1.00 0.00 O ATOM 786 CB LYS A 55 10.175 9.815 4.165 1.00 0.00 C ATOM 787 CG LYS A 55 9.636 8.530 4.749 1.00 0.00 C ATOM 788 CD LYS A 55 10.155 8.296 6.160 1.00 0.00 C ATOM 789 CE LYS A 55 9.605 9.297 7.173 1.00 0.00 C ATOM 790 NZ LYS A 55 8.138 9.203 7.309 1.00 0.00 N ATOM 0 H LYS A 55 7.898 9.058 2.923 1.00 0.00 H new ATOM 0 HA LYS A 55 9.799 11.251 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.263 9.750 4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.921 10.632 4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.547 8.564 4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.921 7.692 4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.891 7.287 6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.243 8.354 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.070 9.122 8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.876 10.307 6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.831 9.747 8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.685 9.589 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.863 8.207 7.426 1.00 0.00 H new ATOM 804 N TYR A 56 10.343 8.203 1.569 1.00 0.00 N ATOM 805 CA TYR A 56 11.162 7.400 0.681 1.00 0.00 C ATOM 806 C TYR A 56 10.558 7.340 -0.718 1.00 0.00 C ATOM 807 O TYR A 56 11.264 7.480 -1.726 1.00 0.00 O ATOM 808 CB TYR A 56 11.312 5.993 1.270 1.00 0.00 C ATOM 809 CG TYR A 56 11.701 5.993 2.739 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.705 6.822 3.222 1.00 0.00 C ATOM 811 CD2 TYR A 56 11.068 5.152 3.635 1.00 0.00 C ATOM 812 CE1 TYR A 56 13.066 6.807 4.549 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.416 5.130 4.966 1.00 0.00 C ATOM 814 CZ TYR A 56 12.420 5.956 5.421 1.00 0.00 C ATOM 815 OH TYR A 56 12.775 5.935 6.751 1.00 0.00 O ATOM 0 H TYR A 56 9.630 7.675 2.071 1.00 0.00 H new ATOM 0 HA TYR A 56 12.146 7.860 0.591 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.372 5.455 1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.066 5.448 0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.212 7.491 2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.284 4.498 3.283 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.851 7.458 4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.905 4.469 5.650 1.00 0.00 H new ATOM 0 HH TYR A 56 12.222 5.281 7.227 1.00 0.00 H new ATOM 825 N GLY A 57 9.270 7.148 -0.782 1.00 0.00 N ATOM 826 CA GLY A 57 8.604 7.125 -2.056 1.00 0.00 C ATOM 827 C GLY A 57 7.761 5.895 -2.259 1.00 0.00 C ATOM 828 O GLY A 57 7.830 4.930 -1.477 1.00 0.00 O ATOM 0 H GLY A 57 8.663 7.006 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.973 8.009 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.349 7.183 -2.850 1.00 0.00 H new ATOM 832 N ALA A 58 6.982 5.925 -3.311 1.00 0.00 N ATOM 833 CA ALA A 58 6.053 4.873 -3.659 1.00 0.00 C ATOM 834 C ALA A 58 6.777 3.600 -4.061 1.00 0.00 C ATOM 835 O ALA A 58 6.357 2.499 -3.715 1.00 0.00 O ATOM 836 CB ALA A 58 5.137 5.349 -4.772 1.00 0.00 C ATOM 0 H ALA A 58 6.975 6.704 -3.970 1.00 0.00 H new ATOM 0 HA ALA A 58 5.454 4.637 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.438 4.554 -5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.582 6.225 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.733 5.610 -5.647 1.00 0.00 H new ATOM 842 N LYS A 59 7.887 3.760 -4.744 1.00 0.00 N ATOM 843 CA LYS A 59 8.682 2.631 -5.217 1.00 0.00 C ATOM 844 C LYS A 59 9.250 1.863 -4.031 1.00 0.00 C ATOM 845 O LYS A 59 9.304 0.613 -4.038 1.00 0.00 O ATOM 846 CB LYS A 59 9.805 3.140 -6.113 1.00 0.00 C ATOM 847 CG LYS A 59 10.584 2.061 -6.852 1.00 0.00 C ATOM 848 CD LYS A 59 11.621 2.652 -7.828 1.00 0.00 C ATOM 849 CE LYS A 59 11.004 3.241 -9.125 1.00 0.00 C ATOM 850 NZ LYS A 59 10.094 4.399 -8.908 1.00 0.00 N ATOM 0 H LYS A 59 8.271 4.672 -4.991 1.00 0.00 H new ATOM 0 HA LYS A 59 8.049 1.956 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.381 3.826 -6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.502 3.716 -5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.092 1.423 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.889 1.428 -7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.181 3.435 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.335 1.874 -8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.812 3.550 -9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.453 2.454 -9.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.128 5.028 -9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.121 4.056 -8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.396 4.924 -8.062 1.00 0.00 H new ATOM 864 N TYR A 60 9.610 2.611 -2.995 1.00 0.00 N ATOM 865 CA TYR A 60 10.146 2.054 -1.782 1.00 0.00 C ATOM 866 C TYR A 60 9.071 1.260 -1.092 1.00 0.00 C ATOM 867 O TYR A 60 9.287 0.107 -0.677 1.00 0.00 O ATOM 868 CB TYR A 60 10.643 3.176 -0.839 1.00 0.00 C ATOM 869 CG TYR A 60 11.074 2.675 0.533 1.00 0.00 C ATOM 870 CD1 TYR A 60 10.134 2.454 1.534 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.394 2.391 0.806 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.488 1.960 2.758 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.773 1.901 2.041 1.00 0.00 C ATOM 874 CZ TYR A 60 11.814 1.682 3.014 1.00 0.00 C ATOM 875 OH TYR A 60 12.187 1.187 4.238 1.00 0.00 O ATOM 0 H TYR A 60 9.533 3.628 -2.984 1.00 0.00 H new ATOM 0 HA TYR A 60 10.990 1.410 -2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.482 3.689 -1.309 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.849 3.912 -0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.096 2.679 1.339 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.143 2.554 0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.738 1.789 3.516 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.812 1.690 2.246 1.00 0.00 H new ATOM 0 HH TYR A 60 13.157 1.045 4.252 1.00 0.00 H new ATOM 885 N ALA A 61 7.915 1.881 -0.962 1.00 0.00 N ATOM 886 CA ALA A 61 6.806 1.288 -0.274 1.00 0.00 C ATOM 887 C ALA A 61 6.331 0.053 -0.966 1.00 0.00 C ATOM 888 O ALA A 61 5.965 -0.880 -0.318 1.00 0.00 O ATOM 889 CB ALA A 61 5.685 2.255 -0.123 1.00 0.00 C ATOM 0 H ALA A 61 7.727 2.812 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 61 7.157 1.009 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.859 1.775 0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.025 3.120 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.349 2.579 -1.108 1.00 0.00 H new ATOM 895 N ALA A 62 6.357 0.052 -2.287 1.00 0.00 N ATOM 896 CA ALA A 62 5.964 -1.117 -3.058 1.00 0.00 C ATOM 897 C ALA A 62 6.837 -2.310 -2.690 1.00 0.00 C ATOM 898 O ALA A 62 6.336 -3.413 -2.452 1.00 0.00 O ATOM 899 CB ALA A 62 6.053 -0.829 -4.541 1.00 0.00 C ATOM 0 H ALA A 62 6.647 0.851 -2.851 1.00 0.00 H new ATOM 0 HA ALA A 62 4.928 -1.359 -2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.755 -1.715 -5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.390 -0.001 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.078 -0.563 -4.799 1.00 0.00 H new ATOM 905 N ALA A 63 8.141 -2.075 -2.603 1.00 0.00 N ATOM 906 CA ALA A 63 9.082 -3.118 -2.226 1.00 0.00 C ATOM 907 C ALA A 63 8.823 -3.563 -0.794 1.00 0.00 C ATOM 908 O ALA A 63 8.825 -4.760 -0.492 1.00 0.00 O ATOM 909 CB ALA A 63 10.505 -2.626 -2.380 1.00 0.00 C ATOM 0 H ALA A 63 8.570 -1.168 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 63 8.942 -3.973 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.197 -3.418 -2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.683 -2.346 -3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.661 -1.759 -1.739 1.00 0.00 H new ATOM 915 N TRP A 64 8.561 -2.588 0.067 1.00 0.00 N ATOM 916 CA TRP A 64 8.260 -2.824 1.472 1.00 0.00 C ATOM 917 C TRP A 64 6.969 -3.637 1.616 1.00 0.00 C ATOM 918 O TRP A 64 6.927 -4.622 2.371 1.00 0.00 O ATOM 919 CB TRP A 64 8.153 -1.477 2.220 1.00 0.00 C ATOM 920 CG TRP A 64 7.760 -1.596 3.663 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.597 -1.719 4.725 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.425 -1.587 4.200 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.872 -1.791 5.892 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.535 -1.709 5.593 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.149 -1.485 3.631 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.420 -1.732 6.427 1.00 0.00 C ATOM 927 CZ3 TRP A 64 4.051 -1.506 4.461 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.191 -1.627 5.839 1.00 0.00 C ATOM 0 H TRP A 64 8.552 -1.602 -0.194 1.00 0.00 H new ATOM 0 HA TRP A 64 9.070 -3.403 1.916 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.113 -0.965 2.159 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.424 -0.849 1.709 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.675 -1.755 4.663 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.265 -1.889 6.828 1.00 0.00 H new ATOM 0 HE3 TRP A 64 5.029 -1.392 2.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.523 -1.829 7.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 3.062 -1.427 4.034 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.307 -1.638 6.460 1.00 0.00 H new TER 939 TRP A 64