USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 273 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 Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -130:sc= -0.837 USER MOD Single : A 9 THR OG1 : rot -15:sc= 0.177! USER MOD Single : A 10 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.014) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= -5.86! (180deg=-6.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 28:sc= 0.229 USER MOD Single : A 24 LYS NZ :NH3+ -149:sc= -0.0481 (180deg=-0.327) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -22:sc= 1 USER MOD Single : A 32 LYS NZ :NH3+ -122:sc= -0.541 (180deg=-1.09) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.341) USER MOD Single : A 38 ASN : amide:sc= -7.14! K(o=-7.1!,f=-2.9) USER MOD Single : A 40 THR OG1 : rot -87:sc= 0.414 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 10.161 4.526 5.332 1.00 0.00 N ATOM 2 CA ASP A 1 10.425 4.504 3.864 1.00 0.00 C ATOM 3 C ASP A 1 11.574 3.541 3.549 1.00 0.00 C ATOM 4 O ASP A 1 12.602 3.936 3.033 1.00 0.00 O ATOM 5 CB ASP A 1 10.820 5.936 3.510 1.00 0.00 C ATOM 6 CG ASP A 1 10.669 6.152 2.004 1.00 0.00 C ATOM 7 OD1 ASP A 1 9.735 5.608 1.438 1.00 0.00 O ATOM 8 OD2 ASP A 1 11.489 6.858 1.441 1.00 0.00 O ATOM 0 H1 ASP A 1 9.380 5.182 5.534 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.903 3.571 5.653 1.00 0.00 H new ATOM 0 H3 ASP A 1 11.016 4.840 5.834 1.00 0.00 H new ATOM 0 HA ASP A 1 9.559 4.167 3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 1 10.192 6.642 4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 1 11.850 6.126 3.813 1.00 0.00 H new ATOM 15 N ASP A 2 11.408 2.284 3.856 1.00 0.00 N ATOM 16 CA ASP A 2 12.493 1.299 3.580 1.00 0.00 C ATOM 17 C ASP A 2 11.911 -0.111 3.424 1.00 0.00 C ATOM 18 O ASP A 2 10.989 -0.494 4.117 1.00 0.00 O ATOM 19 CB ASP A 2 13.401 1.366 4.820 1.00 0.00 C ATOM 20 CG ASP A 2 14.289 2.610 4.734 1.00 0.00 C ATOM 21 OD1 ASP A 2 14.803 2.874 3.660 1.00 0.00 O ATOM 22 OD2 ASP A 2 14.440 3.276 5.745 1.00 0.00 O ATOM 0 H ASP A 2 10.568 1.896 4.286 1.00 0.00 H new ATOM 0 HA ASP A 2 13.029 1.522 2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.796 1.400 5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 2 14.018 0.469 4.882 1.00 0.00 H new ATOM 27 N GLY A 3 12.451 -0.884 2.519 1.00 0.00 N ATOM 28 CA GLY A 3 11.946 -2.272 2.312 1.00 0.00 C ATOM 29 C GLY A 3 12.474 -2.833 0.991 1.00 0.00 C ATOM 30 O GLY A 3 13.200 -2.179 0.268 1.00 0.00 O ATOM 0 H GLY A 3 13.224 -0.612 1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.262 -2.909 3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.856 -2.274 2.307 1.00 0.00 H new ATOM 34 N LEU A 4 12.113 -4.047 0.680 1.00 0.00 N ATOM 35 CA LEU A 4 12.584 -4.682 -0.585 1.00 0.00 C ATOM 36 C LEU A 4 11.385 -5.313 -1.314 1.00 0.00 C ATOM 37 O LEU A 4 10.273 -5.262 -0.825 1.00 0.00 O ATOM 38 CB LEU A 4 13.583 -5.762 -0.159 1.00 0.00 C ATOM 39 CG LEU A 4 14.581 -5.209 0.872 1.00 0.00 C ATOM 40 CD1 LEU A 4 15.261 -6.373 1.592 1.00 0.00 C ATOM 41 CD2 LEU A 4 15.649 -4.370 0.162 1.00 0.00 C ATOM 0 H LEU A 4 11.506 -4.633 1.253 1.00 0.00 H new ATOM 0 HA LEU A 4 13.045 -3.964 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 4 13.048 -6.611 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 4 14.122 -6.130 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 4 14.047 -4.587 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.969 -5.984 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.508 -6.976 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.791 -6.990 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 4 16.354 -3.980 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 4 16.182 -4.992 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.172 -3.540 -0.359 1.00 0.00 H new ATOM 53 N CYS A 5 11.583 -5.916 -2.467 1.00 0.00 N ATOM 54 CA CYS A 5 10.411 -6.543 -3.173 1.00 0.00 C ATOM 55 C CYS A 5 10.834 -7.812 -3.907 1.00 0.00 C ATOM 56 O CYS A 5 11.977 -7.982 -4.284 1.00 0.00 O ATOM 57 CB CYS A 5 9.891 -5.497 -4.170 1.00 0.00 C ATOM 58 SG CYS A 5 8.262 -6.011 -4.783 1.00 0.00 S ATOM 0 H CYS A 5 12.482 -6.001 -2.941 1.00 0.00 H new ATOM 0 HA CYS A 5 9.638 -6.830 -2.460 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.820 -4.522 -3.688 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.588 -5.392 -5.001 1.00 0.00 H new ATOM 63 N TYR A 6 9.901 -8.700 -4.115 1.00 0.00 N ATOM 64 CA TYR A 6 10.211 -9.971 -4.833 1.00 0.00 C ATOM 65 C TYR A 6 9.083 -10.259 -5.826 1.00 0.00 C ATOM 66 O TYR A 6 8.020 -9.666 -5.748 1.00 0.00 O ATOM 67 CB TYR A 6 10.340 -11.055 -3.744 1.00 0.00 C ATOM 68 CG TYR A 6 9.002 -11.437 -3.173 1.00 0.00 C ATOM 69 CD1 TYR A 6 8.247 -12.432 -3.791 1.00 0.00 C ATOM 70 CD2 TYR A 6 8.529 -10.811 -2.019 1.00 0.00 C ATOM 71 CE1 TYR A 6 7.011 -12.804 -3.260 1.00 0.00 C ATOM 72 CE2 TYR A 6 7.289 -11.178 -1.483 1.00 0.00 C ATOM 73 CZ TYR A 6 6.527 -12.176 -2.105 1.00 0.00 C ATOM 74 OH TYR A 6 5.306 -12.543 -1.578 1.00 0.00 O ATOM 0 H TYR A 6 8.931 -8.600 -3.817 1.00 0.00 H new ATOM 0 HA TYR A 6 11.135 -9.929 -5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.820 -11.938 -4.166 1.00 0.00 H new ATOM 0 HB3 TYR A 6 10.986 -10.692 -2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.619 -12.916 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.119 -10.044 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.428 -13.576 -3.740 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.920 -10.693 -0.591 1.00 0.00 H new ATOM 0 HH TYR A 6 4.765 -11.742 -1.416 1.00 0.00 H new ATOM 84 N GLU A 7 9.302 -11.126 -6.780 1.00 0.00 N ATOM 85 CA GLU A 7 8.227 -11.385 -7.780 1.00 0.00 C ATOM 86 C GLU A 7 7.855 -12.864 -7.819 1.00 0.00 C ATOM 87 O GLU A 7 8.673 -13.735 -7.596 1.00 0.00 O ATOM 88 CB GLU A 7 8.835 -10.937 -9.114 1.00 0.00 C ATOM 89 CG GLU A 7 9.782 -11.984 -9.679 1.00 0.00 C ATOM 90 CD GLU A 7 10.656 -11.351 -10.762 1.00 0.00 C ATOM 91 OE1 GLU A 7 10.126 -11.036 -11.815 1.00 0.00 O ATOM 92 OE2 GLU A 7 11.841 -11.189 -10.520 1.00 0.00 O ATOM 0 H GLU A 7 10.163 -11.657 -6.909 1.00 0.00 H new ATOM 0 HA GLU A 7 7.305 -10.854 -7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.037 -10.743 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.372 -9.999 -8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.407 -12.391 -8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.214 -12.816 -10.095 1.00 0.00 H new ATOM 99 N GLY A 8 6.617 -13.144 -8.119 1.00 0.00 N ATOM 100 CA GLY A 8 6.172 -14.564 -8.198 1.00 0.00 C ATOM 101 C GLY A 8 4.661 -14.699 -7.958 1.00 0.00 C ATOM 102 O GLY A 8 3.858 -14.183 -8.711 1.00 0.00 O ATOM 0 H GLY A 8 5.894 -12.451 -8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.423 -14.970 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.712 -15.156 -7.460 1.00 0.00 H new ATOM 106 N THR A 9 4.269 -15.429 -6.941 1.00 0.00 N ATOM 107 CA THR A 9 2.819 -15.644 -6.685 1.00 0.00 C ATOM 108 C THR A 9 2.551 -15.953 -5.188 1.00 0.00 C ATOM 109 O THR A 9 1.558 -16.571 -4.856 1.00 0.00 O ATOM 110 CB THR A 9 2.526 -16.889 -7.510 1.00 0.00 C ATOM 111 OG1 THR A 9 2.795 -16.621 -8.878 1.00 0.00 O ATOM 112 CG2 THR A 9 1.064 -17.329 -7.350 1.00 0.00 C ATOM 0 H THR A 9 4.897 -15.884 -6.278 1.00 0.00 H new ATOM 0 HA THR A 9 2.212 -14.774 -6.935 1.00 0.00 H new ATOM 0 HB THR A 9 3.166 -17.697 -7.154 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.873 -15.653 -9.013 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.885 -18.221 -7.951 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.864 -17.551 -6.302 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.404 -16.528 -7.683 1.00 0.00 H new ATOM 120 N ASN A 10 3.437 -15.586 -4.285 1.00 0.00 N ATOM 121 CA ASN A 10 3.213 -15.943 -2.837 1.00 0.00 C ATOM 122 C ASN A 10 2.138 -15.095 -2.163 1.00 0.00 C ATOM 123 O ASN A 10 1.677 -15.408 -1.083 1.00 0.00 O ATOM 124 CB ASN A 10 4.563 -15.735 -2.169 1.00 0.00 C ATOM 125 CG ASN A 10 4.544 -16.358 -0.764 1.00 0.00 C ATOM 126 OD1 ASN A 10 4.634 -17.563 -0.631 1.00 0.00 O ATOM 127 ND2 ASN A 10 4.415 -15.599 0.301 1.00 0.00 N ATOM 0 H ASN A 10 4.291 -15.064 -4.481 1.00 0.00 H new ATOM 0 HA ASN A 10 2.847 -16.966 -2.750 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.351 -16.190 -2.769 1.00 0.00 H new ATOM 0 HB3 ASN A 10 4.787 -14.670 -2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.391 -16.022 1.229 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.339 -14.587 0.200 1.00 0.00 H new ATOM 134 N CYS A 11 1.719 -14.059 -2.794 1.00 0.00 N ATOM 135 CA CYS A 11 0.643 -13.207 -2.205 1.00 0.00 C ATOM 136 C CYS A 11 -0.497 -13.089 -3.172 1.00 0.00 C ATOM 137 O CYS A 11 -1.248 -12.132 -3.162 1.00 0.00 O ATOM 138 CB CYS A 11 1.281 -11.847 -1.926 1.00 0.00 C ATOM 139 SG CYS A 11 2.266 -11.928 -0.408 1.00 0.00 S ATOM 0 H CYS A 11 2.069 -13.750 -3.701 1.00 0.00 H new ATOM 0 HA CYS A 11 0.238 -13.634 -1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.912 -11.553 -2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.507 -11.086 -1.828 1.00 0.00 H new ATOM 144 N GLY A 12 -0.633 -14.056 -4.016 1.00 0.00 N ATOM 145 CA GLY A 12 -1.733 -13.989 -4.990 1.00 0.00 C ATOM 146 C GLY A 12 -1.410 -12.914 -6.028 1.00 0.00 C ATOM 147 O GLY A 12 -2.272 -12.433 -6.736 1.00 0.00 O ATOM 0 H GLY A 12 -0.037 -14.882 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.865 -14.955 -5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.670 -13.756 -4.485 1.00 0.00 H new ATOM 151 N LYS A 13 -0.166 -12.522 -6.097 1.00 0.00 N ATOM 152 CA LYS A 13 0.248 -11.464 -7.049 1.00 0.00 C ATOM 153 C LYS A 13 0.595 -12.061 -8.400 1.00 0.00 C ATOM 154 O LYS A 13 1.628 -11.801 -8.981 1.00 0.00 O ATOM 155 CB LYS A 13 1.447 -10.832 -6.383 1.00 0.00 C ATOM 156 CG LYS A 13 2.677 -11.737 -6.507 1.00 0.00 C ATOM 157 CD LYS A 13 3.719 -11.328 -5.475 1.00 0.00 C ATOM 158 CE LYS A 13 4.931 -12.251 -5.571 1.00 0.00 C ATOM 159 NZ LYS A 13 6.104 -11.340 -5.557 1.00 0.00 N ATOM 0 H LYS A 13 0.588 -12.899 -5.523 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.537 -10.736 -7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.654 -9.864 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.230 -10.648 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.391 -12.778 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.096 -11.663 -7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.023 -10.295 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.291 -11.377 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.963 -12.950 -4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.903 -12.846 -6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.975 -11.898 -5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.141 -10.808 -6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.018 -10.675 -4.762 1.00 0.00 H new ATOM 173 N VAL A 14 -0.295 -12.842 -8.900 1.00 0.00 N ATOM 174 CA VAL A 14 -0.088 -13.463 -10.238 1.00 0.00 C ATOM 175 C VAL A 14 -0.125 -12.354 -11.297 1.00 0.00 C ATOM 176 O VAL A 14 -1.166 -11.789 -11.570 1.00 0.00 O ATOM 177 CB VAL A 14 -1.262 -14.442 -10.406 1.00 0.00 C ATOM 178 CG1 VAL A 14 -1.370 -14.900 -11.867 1.00 0.00 C ATOM 179 CG2 VAL A 14 -1.055 -15.668 -9.507 1.00 0.00 C ATOM 0 H VAL A 14 -1.173 -13.087 -8.442 1.00 0.00 H new ATOM 0 HA VAL A 14 0.866 -13.981 -10.339 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.181 -13.930 -10.121 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.205 -15.593 -11.970 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.535 -14.034 -12.508 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.447 -15.399 -12.161 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.891 -16.356 -9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.128 -16.170 -9.784 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.999 -15.350 -8.466 1.00 0.00 H new ATOM 189 N GLY A 15 0.996 -12.029 -11.892 1.00 0.00 N ATOM 190 CA GLY A 15 0.990 -10.944 -12.926 1.00 0.00 C ATOM 191 C GLY A 15 1.541 -9.643 -12.324 1.00 0.00 C ATOM 192 O GLY A 15 2.028 -8.788 -13.038 1.00 0.00 O ATOM 0 H GLY A 15 1.903 -12.459 -11.712 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.594 -11.243 -13.782 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.024 -10.784 -13.292 1.00 0.00 H new ATOM 196 N LYS A 16 1.491 -9.482 -11.020 1.00 0.00 N ATOM 197 CA LYS A 16 2.038 -8.234 -10.409 1.00 0.00 C ATOM 198 C LYS A 16 3.187 -8.609 -9.446 1.00 0.00 C ATOM 199 O LYS A 16 3.918 -9.540 -9.722 1.00 0.00 O ATOM 200 CB LYS A 16 0.871 -7.563 -9.698 1.00 0.00 C ATOM 201 CG LYS A 16 -0.296 -7.348 -10.677 1.00 0.00 C ATOM 202 CD LYS A 16 -1.508 -6.787 -9.923 1.00 0.00 C ATOM 203 CE LYS A 16 -2.314 -7.942 -9.323 1.00 0.00 C ATOM 204 NZ LYS A 16 -2.865 -7.404 -8.048 1.00 0.00 N ATOM 0 H LYS A 16 1.099 -10.155 -10.362 1.00 0.00 H new ATOM 0 HA LYS A 16 2.458 -7.546 -11.143 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.544 -8.179 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.189 -6.606 -9.285 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.003 -6.660 -11.468 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.559 -8.291 -11.157 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.178 -6.111 -9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.134 -6.206 -10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.111 -8.258 -9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.683 -8.813 -9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.431 -8.139 -7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.083 -7.117 -7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.467 -6.580 -8.250 1.00 0.00 H new ATOM 218 N TYR A 17 3.390 -7.921 -8.333 1.00 0.00 N ATOM 219 CA TYR A 17 4.529 -8.317 -7.441 1.00 0.00 C ATOM 220 C TYR A 17 4.169 -8.065 -5.960 1.00 0.00 C ATOM 221 O TYR A 17 3.100 -7.559 -5.667 1.00 0.00 O ATOM 222 CB TYR A 17 5.706 -7.453 -7.875 1.00 0.00 C ATOM 223 CG TYR A 17 5.828 -7.444 -9.381 1.00 0.00 C ATOM 224 CD1 TYR A 17 5.090 -6.555 -10.174 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.694 -8.349 -9.979 1.00 0.00 C ATOM 226 CE1 TYR A 17 5.232 -6.587 -11.569 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.839 -8.384 -11.360 1.00 0.00 C ATOM 228 CZ TYR A 17 6.109 -7.503 -12.163 1.00 0.00 C ATOM 229 OH TYR A 17 6.251 -7.537 -13.534 1.00 0.00 O ATOM 0 H TYR A 17 2.832 -7.128 -8.017 1.00 0.00 H new ATOM 0 HA TYR A 17 4.763 -9.378 -7.525 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.572 -6.435 -7.509 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.627 -7.833 -7.432 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.415 -5.849 -9.713 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.261 -9.033 -9.364 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.665 -5.905 -12.185 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.516 -9.092 -11.814 1.00 0.00 H new ATOM 0 HH TYR A 17 6.899 -8.230 -13.779 1.00 0.00 H new ATOM 239 N CYS A 18 5.032 -8.419 -5.010 1.00 0.00 N ATOM 240 CA CYS A 18 4.672 -8.198 -3.576 1.00 0.00 C ATOM 241 C CYS A 18 5.866 -7.648 -2.801 1.00 0.00 C ATOM 242 O CYS A 18 6.997 -7.744 -3.230 1.00 0.00 O ATOM 243 CB CYS A 18 4.288 -9.589 -3.051 1.00 0.00 C ATOM 244 SG CYS A 18 2.738 -10.110 -3.811 1.00 0.00 S ATOM 0 H CYS A 18 5.946 -8.841 -5.174 1.00 0.00 H new ATOM 0 HA CYS A 18 3.865 -7.474 -3.462 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.077 -10.306 -3.279 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.184 -9.564 -1.966 1.00 0.00 H new ATOM 249 N CYS A 19 5.619 -7.070 -1.659 1.00 0.00 N ATOM 250 CA CYS A 19 6.727 -6.513 -0.848 1.00 0.00 C ATOM 251 C CYS A 19 6.630 -6.982 0.613 1.00 0.00 C ATOM 252 O CYS A 19 5.609 -6.817 1.268 1.00 0.00 O ATOM 253 CB CYS A 19 6.576 -4.993 -0.956 1.00 0.00 C ATOM 254 SG CYS A 19 4.833 -4.545 -0.816 1.00 0.00 S ATOM 0 H CYS A 19 4.690 -6.961 -1.253 1.00 0.00 H new ATOM 0 HA CYS A 19 7.702 -6.847 -1.204 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.152 -4.504 -0.170 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.976 -4.645 -1.908 1.00 0.00 H new ATOM 259 N SER A 20 7.696 -7.565 1.116 1.00 0.00 N ATOM 260 CA SER A 20 7.731 -8.045 2.530 1.00 0.00 C ATOM 261 C SER A 20 9.191 -8.347 2.891 1.00 0.00 C ATOM 262 O SER A 20 9.840 -9.107 2.201 1.00 0.00 O ATOM 263 CB SER A 20 6.882 -9.326 2.565 1.00 0.00 C ATOM 264 OG SER A 20 7.324 -10.208 1.542 1.00 0.00 O ATOM 0 H SER A 20 8.556 -7.729 0.593 1.00 0.00 H new ATOM 0 HA SER A 20 7.343 -7.314 3.240 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.969 -9.807 3.539 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.829 -9.083 2.422 1.00 0.00 H new ATOM 0 HG SER A 20 8.272 -10.045 1.356 1.00 0.00 H new ATOM 270 N PRO A 21 9.675 -7.745 3.946 1.00 0.00 N ATOM 271 CA PRO A 21 11.079 -7.981 4.345 1.00 0.00 C ATOM 272 C PRO A 21 11.234 -9.340 5.038 1.00 0.00 C ATOM 273 O PRO A 21 12.317 -9.733 5.425 1.00 0.00 O ATOM 274 CB PRO A 21 11.392 -6.814 5.277 1.00 0.00 C ATOM 275 CG PRO A 21 10.053 -6.372 5.823 1.00 0.00 C ATOM 276 CD PRO A 21 8.986 -6.815 4.846 1.00 0.00 C ATOM 0 HA PRO A 21 11.765 -8.022 3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.063 -7.120 6.080 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.886 -6.003 4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.877 -6.811 6.805 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.030 -5.290 5.949 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.156 -7.301 5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.572 -5.968 4.300 1.00 0.00 H new ATOM 284 N ILE A 22 10.159 -10.064 5.172 1.00 0.00 N ATOM 285 CA ILE A 22 10.232 -11.419 5.818 1.00 0.00 C ATOM 286 C ILE A 22 8.977 -12.240 5.508 1.00 0.00 C ATOM 287 O ILE A 22 8.724 -13.275 6.092 1.00 0.00 O ATOM 288 CB ILE A 22 10.359 -11.122 7.314 1.00 0.00 C ATOM 289 CG1 ILE A 22 10.796 -12.379 8.095 1.00 0.00 C ATOM 290 CG2 ILE A 22 9.004 -10.648 7.826 1.00 0.00 C ATOM 291 CD1 ILE A 22 10.719 -12.112 9.606 1.00 0.00 C ATOM 0 H ILE A 22 9.228 -9.782 4.864 1.00 0.00 H new ATOM 0 HA ILE A 22 11.068 -12.015 5.451 1.00 0.00 H new ATOM 0 HB ILE A 22 11.118 -10.354 7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.155 -13.221 7.833 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.813 -12.654 7.817 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.073 -10.431 8.892 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.708 -9.746 7.290 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.260 -11.428 7.662 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.029 -13.005 10.149 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.378 -11.283 9.863 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.695 -11.859 9.879 1.00 0.00 H new ATOM 303 N GLY A 23 8.215 -11.773 4.581 1.00 0.00 N ATOM 304 CA GLY A 23 6.964 -12.486 4.168 1.00 0.00 C ATOM 305 C GLY A 23 5.865 -12.263 5.201 1.00 0.00 C ATOM 306 O GLY A 23 4.842 -12.919 5.181 1.00 0.00 O ATOM 0 H GLY A 23 8.398 -10.908 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.636 -12.125 3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.163 -13.553 4.062 1.00 0.00 H new ATOM 310 N LYS A 24 6.069 -11.350 6.105 1.00 0.00 N ATOM 311 CA LYS A 24 5.029 -11.097 7.144 1.00 0.00 C ATOM 312 C LYS A 24 4.002 -10.057 6.674 1.00 0.00 C ATOM 313 O LYS A 24 2.843 -10.116 7.036 1.00 0.00 O ATOM 314 CB LYS A 24 5.773 -10.604 8.383 1.00 0.00 C ATOM 315 CG LYS A 24 6.276 -9.174 8.169 1.00 0.00 C ATOM 316 CD LYS A 24 7.132 -8.753 9.363 1.00 0.00 C ATOM 317 CE LYS A 24 6.234 -8.188 10.466 1.00 0.00 C ATOM 318 NZ LYS A 24 6.141 -9.276 11.480 1.00 0.00 N ATOM 0 H LYS A 24 6.905 -10.769 6.172 1.00 0.00 H new ATOM 0 HA LYS A 24 4.465 -12.006 7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.112 -10.638 9.249 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.614 -11.264 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.860 -9.116 7.250 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.432 -8.493 8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.694 -9.608 9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.861 -8.004 9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.660 -7.282 10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.250 -7.924 10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.217 -9.230 11.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.244 -10.198 11.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.898 -9.160 12.184 1.00 0.00 H new ATOM 332 N TYR A 25 4.418 -9.100 5.889 1.00 0.00 N ATOM 333 CA TYR A 25 3.464 -8.051 5.419 1.00 0.00 C ATOM 334 C TYR A 25 2.702 -8.507 4.170 1.00 0.00 C ATOM 335 O TYR A 25 1.530 -8.222 4.019 1.00 0.00 O ATOM 336 CB TYR A 25 4.326 -6.827 5.107 1.00 0.00 C ATOM 337 CG TYR A 25 4.704 -6.128 6.393 1.00 0.00 C ATOM 338 CD1 TYR A 25 3.809 -5.230 6.987 1.00 0.00 C ATOM 339 CD2 TYR A 25 5.944 -6.377 6.989 1.00 0.00 C ATOM 340 CE1 TYR A 25 4.154 -4.582 8.181 1.00 0.00 C ATOM 341 CE2 TYR A 25 6.292 -5.727 8.185 1.00 0.00 C ATOM 342 CZ TYR A 25 5.395 -4.831 8.779 1.00 0.00 C ATOM 343 OH TYR A 25 5.733 -4.195 9.955 1.00 0.00 O ATOM 0 H TYR A 25 5.376 -8.998 5.553 1.00 0.00 H new ATOM 0 HA TYR A 25 2.708 -7.837 6.174 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.224 -7.130 4.569 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.781 -6.143 4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.852 -5.036 6.525 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.634 -7.069 6.530 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.463 -3.891 8.640 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.250 -5.918 8.645 1.00 0.00 H new ATOM 0 HH TYR A 25 6.627 -4.480 10.236 1.00 0.00 H new ATOM 353 N CYS A 26 3.356 -9.204 3.274 1.00 0.00 N ATOM 354 CA CYS A 26 2.670 -9.669 2.022 1.00 0.00 C ATOM 355 C CYS A 26 1.759 -8.564 1.455 1.00 0.00 C ATOM 356 O CYS A 26 0.552 -8.701 1.428 1.00 0.00 O ATOM 357 CB CYS A 26 1.831 -10.890 2.449 1.00 0.00 C ATOM 358 SG CYS A 26 0.897 -11.528 1.031 1.00 0.00 S ATOM 0 H CYS A 26 4.337 -9.473 3.353 1.00 0.00 H new ATOM 0 HA CYS A 26 3.386 -9.917 1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.483 -11.669 2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.146 -10.609 3.249 1.00 0.00 H new ATOM 363 N VAL A 27 2.331 -7.478 0.988 1.00 0.00 N ATOM 364 CA VAL A 27 1.492 -6.380 0.406 1.00 0.00 C ATOM 365 C VAL A 27 1.825 -6.269 -1.076 1.00 0.00 C ATOM 366 O VAL A 27 2.947 -6.015 -1.441 1.00 0.00 O ATOM 367 CB VAL A 27 1.909 -5.111 1.146 1.00 0.00 C ATOM 368 CG1 VAL A 27 1.084 -3.934 0.626 1.00 0.00 C ATOM 369 CG2 VAL A 27 1.669 -5.288 2.647 1.00 0.00 C ATOM 0 H VAL A 27 3.336 -7.305 0.984 1.00 0.00 H new ATOM 0 HA VAL A 27 0.421 -6.555 0.508 1.00 0.00 H new ATOM 0 HB VAL A 27 2.968 -4.918 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.377 -3.024 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.261 -3.810 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.025 -4.127 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.967 -4.381 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.611 -5.480 2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.257 -6.130 3.013 1.00 0.00 H new ATOM 379 N CYS A 28 0.878 -6.510 -1.940 1.00 0.00 N ATOM 380 CA CYS A 28 1.206 -6.489 -3.395 1.00 0.00 C ATOM 381 C CYS A 28 0.485 -5.395 -4.174 1.00 0.00 C ATOM 382 O CYS A 28 -0.509 -4.842 -3.749 1.00 0.00 O ATOM 383 CB CYS A 28 0.751 -7.862 -3.884 1.00 0.00 C ATOM 384 SG CYS A 28 1.338 -9.134 -2.745 1.00 0.00 S ATOM 0 H CYS A 28 -0.093 -6.717 -1.708 1.00 0.00 H new ATOM 0 HA CYS A 28 2.265 -6.280 -3.549 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.336 -7.893 -3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.138 -8.049 -4.886 1.00 0.00 H new ATOM 389 N TYR A 29 1.008 -5.102 -5.340 1.00 0.00 N ATOM 390 CA TYR A 29 0.414 -4.069 -6.215 1.00 0.00 C ATOM 391 C TYR A 29 0.682 -4.441 -7.667 1.00 0.00 C ATOM 392 O TYR A 29 1.367 -5.402 -7.939 1.00 0.00 O ATOM 393 CB TYR A 29 1.175 -2.805 -5.934 1.00 0.00 C ATOM 394 CG TYR A 29 0.964 -2.343 -4.538 1.00 0.00 C ATOM 395 CD1 TYR A 29 1.700 -2.913 -3.514 1.00 0.00 C ATOM 396 CD2 TYR A 29 0.069 -1.311 -4.283 1.00 0.00 C ATOM 397 CE1 TYR A 29 1.543 -2.455 -2.212 1.00 0.00 C ATOM 398 CE2 TYR A 29 -0.100 -0.845 -2.983 1.00 0.00 C ATOM 399 CZ TYR A 29 0.639 -1.416 -1.938 1.00 0.00 C ATOM 400 OH TYR A 29 0.478 -0.959 -0.647 1.00 0.00 O ATOM 0 H TYR A 29 1.840 -5.551 -5.721 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.658 -3.969 -6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.238 -2.973 -6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.859 -2.026 -6.628 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.395 -3.712 -3.727 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.495 -0.871 -5.093 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.116 -2.898 -1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.798 -0.046 -2.780 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.185 -0.237 -0.636 1.00 0.00 H new ATOM 410 N ASP A 30 0.180 -3.683 -8.601 1.00 0.00 N ATOM 411 CA ASP A 30 0.448 -4.008 -10.026 1.00 0.00 C ATOM 412 C ASP A 30 1.816 -3.484 -10.482 1.00 0.00 C ATOM 413 O ASP A 30 2.551 -4.173 -11.165 1.00 0.00 O ATOM 414 CB ASP A 30 -0.693 -3.370 -10.808 1.00 0.00 C ATOM 415 CG ASP A 30 -0.463 -1.863 -10.967 1.00 0.00 C ATOM 416 OD1 ASP A 30 0.315 -1.490 -11.829 1.00 0.00 O ATOM 417 OD2 ASP A 30 -1.069 -1.110 -10.223 1.00 0.00 O ATOM 0 H ASP A 30 -0.400 -2.859 -8.440 1.00 0.00 H new ATOM 0 HA ASP A 30 0.490 -5.085 -10.189 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.773 -3.836 -11.790 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.637 -3.547 -10.293 1.00 0.00 H new ATOM 422 N SER A 31 2.171 -2.285 -10.110 1.00 0.00 N ATOM 423 CA SER A 31 3.507 -1.747 -10.530 1.00 0.00 C ATOM 424 C SER A 31 4.576 -2.301 -9.590 1.00 0.00 C ATOM 425 O SER A 31 4.536 -2.017 -8.414 1.00 0.00 O ATOM 426 CB SER A 31 3.400 -0.234 -10.422 1.00 0.00 C ATOM 427 OG SER A 31 2.128 0.183 -10.900 1.00 0.00 O ATOM 0 H SER A 31 1.605 -1.657 -9.540 1.00 0.00 H new ATOM 0 HA SER A 31 3.781 -2.034 -11.545 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.532 0.078 -9.386 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.192 0.240 -11.001 1.00 0.00 H new ATOM 0 HG SER A 31 1.765 -0.500 -11.502 1.00 0.00 H new ATOM 433 N LYS A 32 5.527 -3.093 -10.053 1.00 0.00 N ATOM 434 CA LYS A 32 6.551 -3.615 -9.090 1.00 0.00 C ATOM 435 C LYS A 32 7.078 -2.397 -8.313 1.00 0.00 C ATOM 436 O LYS A 32 7.327 -2.446 -7.122 1.00 0.00 O ATOM 437 CB LYS A 32 7.649 -4.320 -9.937 1.00 0.00 C ATOM 438 CG LYS A 32 8.622 -3.303 -10.570 1.00 0.00 C ATOM 439 CD LYS A 32 9.858 -4.015 -11.197 1.00 0.00 C ATOM 440 CE LYS A 32 10.214 -5.310 -10.426 1.00 0.00 C ATOM 441 NZ LYS A 32 10.611 -4.853 -9.065 1.00 0.00 N ATOM 0 H LYS A 32 5.634 -3.390 -11.023 1.00 0.00 H new ATOM 0 HA LYS A 32 6.166 -4.339 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.206 -5.013 -9.306 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.179 -4.912 -10.723 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.103 -2.729 -11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.954 -2.594 -9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.651 -4.256 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.713 -3.338 -11.189 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.363 -5.989 -10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.026 -5.849 -10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.579 -5.173 -8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.573 -3.815 -9.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.958 -5.252 -8.361 1.00 0.00 H new ATOM 455 N ALA A 33 7.185 -1.277 -8.984 1.00 0.00 N ATOM 456 CA ALA A 33 7.606 -0.041 -8.307 1.00 0.00 C ATOM 457 C ALA A 33 6.626 0.269 -7.183 1.00 0.00 C ATOM 458 O ALA A 33 7.032 0.571 -6.096 1.00 0.00 O ATOM 459 CB ALA A 33 7.535 1.048 -9.376 1.00 0.00 C ATOM 0 H ALA A 33 6.994 -1.179 -9.981 1.00 0.00 H new ATOM 0 HA ALA A 33 8.604 -0.119 -7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.836 2.002 -8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.204 0.795 -10.198 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.514 1.125 -9.750 1.00 0.00 H new ATOM 465 N ILE A 34 5.328 0.186 -7.420 1.00 0.00 N ATOM 466 CA ILE A 34 4.386 0.469 -6.323 1.00 0.00 C ATOM 467 C ILE A 34 4.669 -0.464 -5.163 1.00 0.00 C ATOM 468 O ILE A 34 4.426 -0.163 -4.016 1.00 0.00 O ATOM 469 CB ILE A 34 3.035 0.258 -6.937 1.00 0.00 C ATOM 470 CG1 ILE A 34 2.681 1.491 -7.768 1.00 0.00 C ATOM 471 CG2 ILE A 34 1.990 0.071 -5.841 1.00 0.00 C ATOM 472 CD1 ILE A 34 1.183 1.499 -8.008 1.00 0.00 C ATOM 0 H ILE A 34 4.905 -0.062 -8.314 1.00 0.00 H new ATOM 0 HA ILE A 34 4.466 1.475 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 34 3.051 -0.631 -7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.985 2.399 -7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.216 1.474 -8.717 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.011 -0.082 -6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.249 -0.798 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.963 0.959 -5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.914 2.374 -8.600 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.896 0.595 -8.545 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.661 1.534 -7.052 1.00 0.00 H new ATOM 484 N CYS A 35 5.224 -1.584 -5.469 1.00 0.00 N ATOM 485 CA CYS A 35 5.588 -2.547 -4.386 1.00 0.00 C ATOM 486 C CYS A 35 6.584 -1.828 -3.488 1.00 0.00 C ATOM 487 O CYS A 35 6.279 -1.482 -2.378 1.00 0.00 O ATOM 488 CB CYS A 35 6.252 -3.760 -5.056 1.00 0.00 C ATOM 489 SG CYS A 35 6.934 -4.856 -3.783 1.00 0.00 S ATOM 0 H CYS A 35 5.447 -1.887 -6.417 1.00 0.00 H new ATOM 0 HA CYS A 35 4.729 -2.881 -3.804 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.523 -4.298 -5.662 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.044 -3.429 -5.728 1.00 0.00 H new ATOM 494 N ASN A 36 7.759 -1.555 -3.974 1.00 0.00 N ATOM 495 CA ASN A 36 8.742 -0.804 -3.121 1.00 0.00 C ATOM 496 C ASN A 36 8.133 0.528 -2.621 1.00 0.00 C ATOM 497 O ASN A 36 8.148 0.835 -1.445 1.00 0.00 O ATOM 498 CB ASN A 36 9.938 -0.524 -4.048 1.00 0.00 C ATOM 499 CG ASN A 36 10.669 -1.836 -4.343 1.00 0.00 C ATOM 500 OD1 ASN A 36 11.424 -2.322 -3.524 1.00 0.00 O ATOM 501 ND2 ASN A 36 10.477 -2.435 -5.488 1.00 0.00 N ATOM 0 H ASN A 36 8.086 -1.810 -4.906 1.00 0.00 H new ATOM 0 HA ASN A 36 9.025 -1.372 -2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.594 -0.070 -4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.618 0.187 -3.578 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.960 -3.309 -5.694 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.844 -2.028 -6.176 1.00 0.00 H new ATOM 508 N LYS A 37 7.644 1.323 -3.529 1.00 0.00 N ATOM 509 CA LYS A 37 7.066 2.667 -3.205 1.00 0.00 C ATOM 510 C LYS A 37 5.827 2.646 -2.288 1.00 0.00 C ATOM 511 O LYS A 37 5.908 2.943 -1.115 1.00 0.00 O ATOM 512 CB LYS A 37 6.684 3.237 -4.569 1.00 0.00 C ATOM 513 CG LYS A 37 6.408 4.742 -4.461 1.00 0.00 C ATOM 514 CD LYS A 37 5.034 4.981 -3.826 1.00 0.00 C ATOM 515 CE LYS A 37 4.464 6.316 -4.318 1.00 0.00 C ATOM 516 NZ LYS A 37 5.396 7.349 -3.789 1.00 0.00 N ATOM 0 H LYS A 37 7.618 1.091 -4.522 1.00 0.00 H new ATOM 0 HA LYS A 37 7.794 3.253 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.488 3.059 -5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.800 2.725 -4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.183 5.220 -3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.444 5.198 -5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.356 4.167 -4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.121 4.990 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.416 6.348 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.450 6.473 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.926 8.277 -3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.667 7.106 -2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.247 7.387 -4.386 1.00 0.00 H new ATOM 530 N ASN A 38 4.669 2.355 -2.839 1.00 0.00 N ATOM 531 CA ASN A 38 3.417 2.376 -2.063 1.00 0.00 C ATOM 532 C ASN A 38 3.431 1.410 -0.908 1.00 0.00 C ATOM 533 O ASN A 38 2.776 1.618 0.095 1.00 0.00 O ATOM 534 CB ASN A 38 2.389 1.990 -3.084 1.00 0.00 C ATOM 535 CG ASN A 38 2.055 3.197 -3.953 1.00 0.00 C ATOM 536 OD1 ASN A 38 1.334 4.083 -3.541 1.00 0.00 O ATOM 537 ND2 ASN A 38 2.601 3.289 -5.126 1.00 0.00 N ATOM 0 H ASN A 38 4.553 2.099 -3.820 1.00 0.00 H new ATOM 0 HA ASN A 38 3.233 3.344 -1.596 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.765 1.176 -3.704 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.489 1.625 -2.589 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.426 4.109 -5.707 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.206 2.542 -5.467 1.00 0.00 H new ATOM 544 N CYS A 39 4.149 0.348 -1.042 1.00 0.00 N ATOM 545 CA CYS A 39 4.172 -0.649 0.081 1.00 0.00 C ATOM 546 C CYS A 39 4.463 0.033 1.423 1.00 0.00 C ATOM 547 O CYS A 39 4.047 -0.433 2.467 1.00 0.00 O ATOM 548 CB CYS A 39 5.289 -1.626 -0.234 1.00 0.00 C ATOM 549 SG CYS A 39 4.771 -2.688 -1.602 1.00 0.00 S ATOM 0 H CYS A 39 4.716 0.114 -1.857 1.00 0.00 H new ATOM 0 HA CYS A 39 3.204 -1.143 0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.198 -1.086 -0.499 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.521 -2.229 0.644 1.00 0.00 H new ATOM 554 N THR A 40 5.173 1.129 1.406 1.00 0.00 N ATOM 555 CA THR A 40 5.485 1.832 2.688 1.00 0.00 C ATOM 556 C THR A 40 4.256 2.601 3.180 1.00 0.00 C ATOM 557 O THR A 40 4.437 3.656 3.766 1.00 0.00 O ATOM 558 CB THR A 40 6.642 2.793 2.371 1.00 0.00 C ATOM 559 OG1 THR A 40 6.366 3.481 1.158 1.00 0.00 O ATOM 560 CG2 THR A 40 7.964 2.007 2.236 1.00 0.00 C ATOM 561 OXT THR A 40 3.156 2.122 2.961 1.00 0.00 O ATOM 0 H THR A 40 5.550 1.568 0.566 1.00 0.00 H new ATOM 0 HA THR A 40 5.760 1.133 3.478 1.00 0.00 H new ATOM 0 HB THR A 40 6.742 3.513 3.184 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.683 2.947 0.400 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.777 2.698 2.011 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.176 1.489 3.171 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.874 1.279 1.430 1.00 0.00 H new TER 569 THR A 40