USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 272 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 43:sc= -0.326! USER MOD Single : A 12 ASN :FLIP amide:sc= 0.269 F(o=-5.2!,f=0.27) USER MOD Single : A 13 HIS : no HD1:sc= -0.96 X(o=-0.96,f=-0.94) USER MOD Single : A 14 SER OG : rot 180:sc= -0.393 USER MOD Single : A 19 HIS : no HD1:sc= -0.753 X(o=-0.75,f=-0.65) USER MOD Single : A 25 ASN : amide:sc= -5.71! C(o=-5.7!,f=-12!) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.553 USER MOD Single : A 31 ASN :FLIP amide:sc= -1.66! C(o=-2.6!,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.489 K(o=-0.49,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.460 -2.224 -4.614 1.00 1.00 N ATOM 2 CA ALA A 1 1.991 -1.191 -5.571 1.00 1.00 C ATOM 3 C ALA A 1 2.324 0.199 -5.043 1.00 1.00 C ATOM 4 O ALA A 1 1.503 0.846 -4.424 1.00 1.00 O ATOM 5 CB ALA A 1 0.469 -1.297 -5.750 1.00 1.00 C ATOM 0 H1 ALA A 1 2.229 -3.169 -4.982 1.00 1.00 H new ATOM 0 H2 ALA A 1 3.490 -2.142 -4.492 1.00 1.00 H new ATOM 0 H3 ALA A 1 1.991 -2.086 -3.696 1.00 1.00 H new ATOM 0 HA ALA A 1 2.490 -1.352 -6.527 1.00 1.00 H new ATOM 0 HB1 ALA A 1 0.132 -0.536 -6.454 1.00 1.00 H new ATOM 0 HB2 ALA A 1 0.216 -2.285 -6.135 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -0.022 -1.145 -4.789 1.00 1.00 H new ATOM 13 N THR A 2 3.534 0.631 -5.295 1.00 1.00 N ATOM 14 CA THR A 2 3.946 1.979 -4.819 1.00 1.00 C ATOM 15 C THR A 2 2.839 3.001 -5.051 1.00 1.00 C ATOM 16 O THR A 2 2.110 2.917 -6.022 1.00 1.00 O ATOM 17 CB THR A 2 5.184 2.410 -5.611 1.00 1.00 C ATOM 18 OG1 THR A 2 4.876 2.124 -6.964 1.00 1.00 O ATOM 19 CG2 THR A 2 6.382 1.508 -5.290 1.00 1.00 C ATOM 0 H THR A 2 4.247 0.111 -5.806 1.00 1.00 H new ATOM 0 HA THR A 2 4.156 1.930 -3.751 1.00 1.00 H new ATOM 0 HB THR A 2 5.421 3.450 -5.389 1.00 1.00 H new ATOM 0 HG1 THR A 2 5.632 2.379 -7.533 1.00 1.00 H new ATOM 0 HG21 THR A 2 7.248 1.835 -5.865 1.00 1.00 H new ATOM 0 HG22 THR A 2 6.609 1.570 -4.226 1.00 1.00 H new ATOM 0 HG23 THR A 2 6.142 0.477 -5.551 1.00 1.00 H new ATOM 27 N CYS A 3 2.729 3.945 -4.156 1.00 1.00 N ATOM 28 CA CYS A 3 1.675 4.977 -4.314 1.00 1.00 C ATOM 29 C CYS A 3 2.083 6.012 -5.356 1.00 1.00 C ATOM 30 O CYS A 3 1.698 7.158 -5.274 1.00 1.00 O ATOM 31 CB CYS A 3 1.483 5.685 -2.966 1.00 1.00 C ATOM 32 SG CYS A 3 0.905 4.681 -1.576 1.00 1.00 S ATOM 0 H CYS A 3 3.320 4.043 -3.330 1.00 1.00 H new ATOM 0 HA CYS A 3 0.753 4.496 -4.640 1.00 1.00 H new ATOM 0 HB2 CYS A 3 2.434 6.136 -2.684 1.00 1.00 H new ATOM 0 HB3 CYS A 3 0.774 6.500 -3.111 1.00 1.00 H new ATOM 37 N ASP A 4 2.856 5.586 -6.318 1.00 1.00 N ATOM 38 CA ASP A 4 3.302 6.523 -7.373 1.00 1.00 C ATOM 39 C ASP A 4 4.058 5.780 -8.468 1.00 1.00 C ATOM 40 O ASP A 4 5.267 5.869 -8.561 1.00 1.00 O ATOM 41 CB ASP A 4 4.240 7.569 -6.748 1.00 1.00 C ATOM 42 CG ASP A 4 4.381 8.756 -7.703 1.00 1.00 C ATOM 43 OD1 ASP A 4 4.067 8.555 -8.865 1.00 1.00 O ATOM 44 OD2 ASP A 4 4.790 9.798 -7.218 1.00 1.00 O ATOM 0 H ASP A 4 3.195 4.629 -6.414 1.00 1.00 H new ATOM 0 HA ASP A 4 2.426 7.003 -7.809 1.00 1.00 H new ATOM 0 HB2 ASP A 4 3.843 7.904 -5.790 1.00 1.00 H new ATOM 0 HB3 ASP A 4 5.217 7.127 -6.552 1.00 1.00 H new ATOM 50 N LEU A 5 3.332 5.063 -9.279 1.00 1.00 N ATOM 51 CA LEU A 5 3.994 4.309 -10.373 1.00 1.00 C ATOM 52 C LEU A 5 4.472 5.243 -11.476 1.00 1.00 C ATOM 53 O LEU A 5 5.657 5.368 -11.714 1.00 1.00 O ATOM 54 CB LEU A 5 2.974 3.334 -10.973 1.00 1.00 C ATOM 55 CG LEU A 5 2.983 2.032 -10.172 1.00 1.00 C ATOM 56 CD1 LEU A 5 1.608 1.373 -10.277 1.00 1.00 C ATOM 57 CD2 LEU A 5 4.039 1.091 -10.755 1.00 1.00 C ATOM 0 H LEU A 5 2.318 4.968 -9.231 1.00 1.00 H new ATOM 0 HA LEU A 5 4.857 3.784 -9.963 1.00 1.00 H new ATOM 0 HB2 LEU A 5 1.978 3.777 -10.957 1.00 1.00 H new ATOM 0 HB3 LEU A 5 3.217 3.133 -12.017 1.00 1.00 H new ATOM 0 HG LEU A 5 3.214 2.241 -9.127 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.606 0.443 -9.708 1.00 1.00 H new ATOM 0 HD12 LEU A 5 0.850 2.046 -9.875 1.00 1.00 H new ATOM 0 HD13 LEU A 5 1.386 1.159 -11.322 1.00 1.00 H new ATOM 0 HD21 LEU A 5 4.050 0.160 -10.188 1.00 1.00 H new ATOM 0 HD22 LEU A 5 3.801 0.878 -11.797 1.00 1.00 H new ATOM 0 HD23 LEU A 5 5.020 1.563 -10.696 1.00 1.00 H new ATOM 69 N LEU A 6 3.536 5.879 -12.126 1.00 1.00 N ATOM 70 CA LEU A 6 3.899 6.814 -13.226 1.00 1.00 C ATOM 71 C LEU A 6 3.152 8.137 -13.092 1.00 1.00 C ATOM 72 O LEU A 6 3.672 9.097 -12.560 1.00 1.00 O ATOM 73 CB LEU A 6 3.506 6.153 -14.559 1.00 1.00 C ATOM 74 CG LEU A 6 4.491 5.016 -14.867 1.00 1.00 C ATOM 75 CD1 LEU A 6 3.816 4.000 -15.793 1.00 1.00 C ATOM 76 CD2 LEU A 6 5.730 5.583 -15.566 1.00 1.00 C ATOM 0 H LEU A 6 2.537 5.791 -11.942 1.00 1.00 H new ATOM 0 HA LEU A 6 4.969 7.020 -13.183 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.489 5.764 -14.500 1.00 1.00 H new ATOM 0 HB3 LEU A 6 3.519 6.890 -15.362 1.00 1.00 H new ATOM 0 HG LEU A 6 4.787 4.532 -13.936 1.00 1.00 H new ATOM 0 HD11 LEU A 6 4.512 3.191 -16.014 1.00 1.00 H new ATOM 0 HD12 LEU A 6 2.931 3.594 -15.304 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.524 4.491 -16.721 1.00 1.00 H new ATOM 0 HD21 LEU A 6 6.427 4.774 -15.783 1.00 1.00 H new ATOM 0 HD22 LEU A 6 5.433 6.066 -16.497 1.00 1.00 H new ATOM 0 HD23 LEU A 6 6.212 6.313 -14.916 1.00 1.00 H new ATOM 88 N SER A 7 1.941 8.167 -13.578 1.00 1.00 N ATOM 89 CA SER A 7 1.151 9.423 -13.483 1.00 1.00 C ATOM 90 C SER A 7 -0.335 9.120 -13.313 1.00 1.00 C ATOM 91 O SER A 7 -0.782 8.021 -13.576 1.00 1.00 O ATOM 92 CB SER A 7 1.347 10.219 -14.782 1.00 1.00 C ATOM 93 OG SER A 7 1.851 11.474 -14.347 1.00 1.00 O ATOM 0 H SER A 7 1.470 7.384 -14.032 1.00 1.00 H new ATOM 0 HA SER A 7 1.492 9.992 -12.618 1.00 1.00 H new ATOM 0 HB2 SER A 7 2.046 9.720 -15.454 1.00 1.00 H new ATOM 0 HB3 SER A 7 0.409 10.333 -15.325 1.00 1.00 H new ATOM 0 HG SER A 7 2.008 12.051 -15.124 1.00 1.00 H new ATOM 99 N GLY A 8 -1.074 10.105 -12.879 1.00 1.00 N ATOM 100 CA GLY A 8 -2.536 9.895 -12.684 1.00 1.00 C ATOM 101 C GLY A 8 -2.829 9.519 -11.228 1.00 1.00 C ATOM 102 O GLY A 8 -2.835 8.356 -10.877 1.00 1.00 O ATOM 0 H GLY A 8 -0.732 11.039 -12.653 1.00 1.00 H new ATOM 0 HA2 GLY A 8 -3.079 10.802 -12.949 1.00 1.00 H new ATOM 0 HA3 GLY A 8 -2.889 9.106 -13.349 1.00 1.00 H new ATOM 106 N THR A 9 -3.063 10.515 -10.415 1.00 1.00 N ATOM 107 CA THR A 9 -3.357 10.243 -8.982 1.00 1.00 C ATOM 108 C THR A 9 -2.421 9.176 -8.426 1.00 1.00 C ATOM 109 O THR A 9 -2.854 8.113 -8.032 1.00 1.00 O ATOM 110 CB THR A 9 -4.800 9.739 -8.870 1.00 1.00 C ATOM 111 OG1 THR A 9 -4.926 8.739 -9.861 1.00 1.00 O ATOM 112 CG2 THR A 9 -5.794 10.825 -9.292 1.00 1.00 C ATOM 0 H THR A 9 -3.063 11.500 -10.682 1.00 1.00 H new ATOM 0 HA THR A 9 -3.216 11.161 -8.412 1.00 1.00 H new ATOM 0 HB THR A 9 -4.998 9.417 -7.848 1.00 1.00 H new ATOM 0 HG1 THR A 9 -4.129 8.168 -9.853 1.00 1.00 H new ATOM 0 HG21 THR A 9 -6.811 10.442 -9.203 1.00 1.00 H new ATOM 0 HG22 THR A 9 -5.677 11.696 -8.647 1.00 1.00 H new ATOM 0 HG23 THR A 9 -5.603 11.111 -10.326 1.00 1.00 H new ATOM 120 N GLY A 10 -1.153 9.484 -8.401 1.00 1.00 N ATOM 121 CA GLY A 10 -0.174 8.493 -7.874 1.00 1.00 C ATOM 122 C GLY A 10 -0.372 8.284 -6.370 1.00 1.00 C ATOM 123 O GLY A 10 -0.688 7.197 -5.932 1.00 1.00 O ATOM 0 H GLY A 10 -0.756 10.368 -8.719 1.00 1.00 H new ATOM 0 HA2 GLY A 10 -0.292 7.544 -8.397 1.00 1.00 H new ATOM 0 HA3 GLY A 10 0.841 8.839 -8.068 1.00 1.00 H new ATOM 127 N ILE A 11 -0.177 9.332 -5.612 1.00 1.00 N ATOM 128 CA ILE A 11 -0.344 9.217 -4.139 1.00 1.00 C ATOM 129 C ILE A 11 -1.561 8.364 -3.778 1.00 1.00 C ATOM 130 O ILE A 11 -2.576 8.404 -4.445 1.00 1.00 O ATOM 131 CB ILE A 11 -0.525 10.624 -3.561 1.00 1.00 C ATOM 132 CG1 ILE A 11 -0.183 10.613 -2.073 1.00 1.00 C ATOM 133 CG2 ILE A 11 -1.990 11.052 -3.730 1.00 1.00 C ATOM 134 CD1 ILE A 11 1.258 11.088 -1.890 1.00 1.00 C ATOM 0 H ILE A 11 0.089 10.257 -5.950 1.00 1.00 H new ATOM 0 HA ILE A 11 0.540 8.734 -3.723 1.00 1.00 H new ATOM 0 HB ILE A 11 0.132 11.319 -4.084 1.00 1.00 H new ATOM 0 HG12 ILE A 11 -0.866 11.262 -1.525 1.00 1.00 H new ATOM 0 HG13 ILE A 11 -0.303 9.609 -1.667 1.00 1.00 H new ATOM 0 HG21 ILE A 11 -2.126 12.053 -3.321 1.00 1.00 H new ATOM 0 HG22 ILE A 11 -2.248 11.055 -4.789 1.00 1.00 H new ATOM 0 HG23 ILE A 11 -2.637 10.352 -3.201 1.00 1.00 H new ATOM 0 HD11 ILE A 11 1.511 11.083 -0.830 1.00 1.00 H new ATOM 0 HD12 ILE A 11 1.932 10.420 -2.427 1.00 1.00 H new ATOM 0 HD13 ILE A 11 1.360 12.100 -2.283 1.00 1.00 H new ATOM 146 N ASN A 12 -1.430 7.600 -2.729 1.00 1.00 N ATOM 147 CA ASN A 12 -2.559 6.734 -2.302 1.00 1.00 C ATOM 148 C ASN A 12 -2.276 6.114 -0.941 1.00 1.00 C ATOM 149 O ASN A 12 -1.251 6.371 -0.342 1.00 1.00 O ATOM 150 CB ASN A 12 -2.725 5.600 -3.329 1.00 1.00 C ATOM 151 CG ASN A 12 -4.205 5.242 -3.470 1.00 1.00 C ATOM 152 OD1 ASN A 12 -5.029 5.542 -2.505 1.00 1.00 O flip ATOM 153 ND2 ASN A 12 -4.626 4.682 -4.462 1.00 1.00 N flip ATOM 0 H ASN A 12 -0.591 7.539 -2.152 1.00 1.00 H new ATOM 0 HA ASN A 12 -3.463 7.339 -2.237 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -2.323 5.909 -4.294 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -2.158 4.724 -3.013 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -3.989 4.443 -5.222 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -5.617 4.450 -4.535 1.00 1.00 H new ATOM 160 N HIS A 13 -3.193 5.312 -0.477 1.00 1.00 N ATOM 161 CA HIS A 13 -2.995 4.665 0.843 1.00 1.00 C ATOM 162 C HIS A 13 -3.760 3.351 0.918 1.00 1.00 C ATOM 163 O HIS A 13 -3.182 2.285 0.823 1.00 1.00 O ATOM 164 CB HIS A 13 -3.531 5.609 1.929 1.00 1.00 C ATOM 165 CG HIS A 13 -2.496 6.704 2.203 1.00 1.00 C ATOM 166 ND1 HIS A 13 -1.407 6.531 2.809 1.00 1.00 N ATOM 167 CD2 HIS A 13 -2.516 8.046 1.870 1.00 1.00 C ATOM 168 CE1 HIS A 13 -0.750 7.621 2.890 1.00 1.00 C ATOM 169 NE2 HIS A 13 -1.386 8.635 2.316 1.00 1.00 N ATOM 0 H HIS A 13 -4.065 5.080 -0.953 1.00 1.00 H new ATOM 0 HA HIS A 13 -1.934 4.463 0.987 1.00 1.00 H new ATOM 0 HB2 HIS A 13 -4.472 6.055 1.608 1.00 1.00 H new ATOM 0 HB3 HIS A 13 -3.738 5.051 2.842 1.00 1.00 H new ATOM 0 HD2 HIS A 13 -3.311 8.545 1.336 1.00 1.00 H new ATOM 0 HE1 HIS A 13 0.213 7.709 3.370 1.00 1.00 H new ATOM 0 HE2 HIS A 13 -1.095 9.609 2.233 1.00 1.00 H new ATOM 178 N SER A 14 -5.046 3.449 1.084 1.00 1.00 N ATOM 179 CA SER A 14 -5.868 2.220 1.167 1.00 1.00 C ATOM 180 C SER A 14 -5.464 1.209 0.097 1.00 1.00 C ATOM 181 O SER A 14 -5.465 0.017 0.337 1.00 1.00 O ATOM 182 CB SER A 14 -7.336 2.604 0.944 1.00 1.00 C ATOM 183 OG SER A 14 -7.475 2.610 -0.469 1.00 1.00 O ATOM 0 H SER A 14 -5.561 4.326 1.165 1.00 1.00 H new ATOM 0 HA SER A 14 -5.719 1.766 2.147 1.00 1.00 H new ATOM 0 HB2 SER A 14 -8.012 1.887 1.409 1.00 1.00 H new ATOM 0 HB3 SER A 14 -7.563 3.580 1.372 1.00 1.00 H new ATOM 0 HG SER A 14 -8.396 2.847 -0.706 1.00 1.00 H new ATOM 189 N ALA A 15 -5.127 1.697 -1.068 1.00 1.00 N ATOM 190 CA ALA A 15 -4.724 0.762 -2.150 1.00 1.00 C ATOM 191 C ALA A 15 -3.695 -0.225 -1.642 1.00 1.00 C ATOM 192 O ALA A 15 -3.730 -1.394 -1.970 1.00 1.00 O ATOM 193 CB ALA A 15 -4.095 1.566 -3.287 1.00 1.00 C ATOM 0 H ALA A 15 -5.114 2.687 -1.312 1.00 1.00 H new ATOM 0 HA ALA A 15 -5.606 0.221 -2.494 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -3.795 0.890 -4.088 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -4.821 2.283 -3.670 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -3.220 2.099 -2.915 1.00 1.00 H new ATOM 199 N CYS A 16 -2.788 0.265 -0.850 1.00 1.00 N ATOM 200 CA CYS A 16 -1.742 -0.628 -0.314 1.00 1.00 C ATOM 201 C CYS A 16 -2.343 -1.702 0.586 1.00 1.00 C ATOM 202 O CYS A 16 -2.317 -2.871 0.262 1.00 1.00 O ATOM 203 CB CYS A 16 -0.760 0.207 0.511 1.00 1.00 C ATOM 204 SG CYS A 16 0.786 -0.592 0.997 1.00 1.00 S ATOM 0 H CYS A 16 -2.729 1.240 -0.555 1.00 1.00 H new ATOM 0 HA CYS A 16 -1.239 -1.115 -1.150 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -0.514 1.103 -0.059 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -1.271 0.536 1.416 1.00 1.00 H new ATOM 209 N ALA A 17 -2.886 -1.283 1.695 1.00 1.00 N ATOM 210 CA ALA A 17 -3.489 -2.268 2.633 1.00 1.00 C ATOM 211 C ALA A 17 -4.579 -3.090 1.967 1.00 1.00 C ATOM 212 O ALA A 17 -4.928 -4.154 2.441 1.00 1.00 O ATOM 213 CB ALA A 17 -4.107 -1.499 3.806 1.00 1.00 C ATOM 0 H ALA A 17 -2.938 -0.308 1.990 1.00 1.00 H new ATOM 0 HA ALA A 17 -2.706 -2.949 2.965 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -4.555 -2.203 4.507 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -3.332 -0.926 4.314 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -4.874 -0.821 3.433 1.00 1.00 H new ATOM 219 N ALA A 18 -5.100 -2.597 0.887 1.00 1.00 N ATOM 220 CA ALA A 18 -6.165 -3.353 0.200 1.00 1.00 C ATOM 221 C ALA A 18 -5.578 -4.515 -0.573 1.00 1.00 C ATOM 222 O ALA A 18 -5.877 -5.661 -0.303 1.00 1.00 O ATOM 223 CB ALA A 18 -6.872 -2.409 -0.775 1.00 1.00 C ATOM 0 H ALA A 18 -4.836 -1.711 0.455 1.00 1.00 H new ATOM 0 HA ALA A 18 -6.865 -3.744 0.938 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -7.664 -2.949 -1.294 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -7.303 -1.573 -0.224 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -6.153 -2.032 -1.502 1.00 1.00 H new ATOM 229 N HIS A 19 -4.758 -4.205 -1.526 1.00 1.00 N ATOM 230 CA HIS A 19 -4.153 -5.288 -2.311 1.00 1.00 C ATOM 231 C HIS A 19 -3.358 -6.197 -1.388 1.00 1.00 C ATOM 232 O HIS A 19 -3.250 -7.376 -1.627 1.00 1.00 O ATOM 233 CB HIS A 19 -3.217 -4.684 -3.363 1.00 1.00 C ATOM 234 CG HIS A 19 -1.774 -4.997 -2.989 1.00 1.00 C ATOM 235 ND1 HIS A 19 -1.127 -6.013 -3.361 1.00 1.00 N ATOM 236 CD2 HIS A 19 -0.902 -4.280 -2.203 1.00 1.00 C ATOM 237 CE1 HIS A 19 0.057 -5.997 -2.887 1.00 1.00 C ATOM 238 NE2 HIS A 19 0.281 -4.926 -2.136 1.00 1.00 N ATOM 0 H HIS A 19 -4.486 -3.258 -1.790 1.00 1.00 H new ATOM 0 HA HIS A 19 -4.935 -5.866 -2.804 1.00 1.00 H new ATOM 0 HB2 HIS A 19 -3.446 -5.091 -4.348 1.00 1.00 H new ATOM 0 HB3 HIS A 19 -3.364 -3.606 -3.422 1.00 1.00 H new ATOM 0 HD2 HIS A 19 -1.129 -3.344 -1.715 1.00 1.00 H new ATOM 0 HE1 HIS A 19 0.792 -6.766 -3.075 1.00 1.00 H new ATOM 0 HE2 HIS A 19 1.129 -4.660 -1.636 1.00 1.00 H new ATOM 247 N CYS A 20 -2.828 -5.618 -0.332 1.00 1.00 N ATOM 248 CA CYS A 20 -2.035 -6.424 0.636 1.00 1.00 C ATOM 249 C CYS A 20 -2.921 -7.487 1.264 1.00 1.00 C ATOM 250 O CYS A 20 -2.677 -8.673 1.141 1.00 1.00 O ATOM 251 CB CYS A 20 -1.544 -5.485 1.748 1.00 1.00 C ATOM 252 SG CYS A 20 -0.312 -6.127 2.906 1.00 1.00 S ATOM 0 H CYS A 20 -2.914 -4.627 -0.106 1.00 1.00 H new ATOM 0 HA CYS A 20 -1.199 -6.900 0.124 1.00 1.00 H new ATOM 0 HB2 CYS A 20 -1.129 -4.594 1.276 1.00 1.00 H new ATOM 0 HB3 CYS A 20 -2.412 -5.165 2.325 1.00 1.00 H new ATOM 257 N LEU A 21 -3.979 -7.041 1.873 1.00 1.00 N ATOM 258 CA LEU A 21 -4.887 -8.006 2.523 1.00 1.00 C ATOM 259 C LEU A 21 -5.233 -9.125 1.559 1.00 1.00 C ATOM 260 O LEU A 21 -5.077 -10.292 1.872 1.00 1.00 O ATOM 261 CB LEU A 21 -6.177 -7.270 2.915 1.00 1.00 C ATOM 262 CG LEU A 21 -6.137 -6.921 4.408 1.00 1.00 C ATOM 263 CD1 LEU A 21 -7.065 -5.735 4.670 1.00 1.00 C ATOM 264 CD2 LEU A 21 -6.620 -8.125 5.220 1.00 1.00 C ATOM 0 H LEU A 21 -4.249 -6.060 1.946 1.00 1.00 H new ATOM 0 HA LEU A 21 -4.402 -8.430 3.402 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -6.284 -6.362 2.322 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -7.044 -7.895 2.700 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.118 -6.665 4.699 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -7.041 -5.482 5.730 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -6.734 -4.877 4.084 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -8.083 -5.999 4.383 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -6.593 -7.882 6.282 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -7.641 -8.373 4.930 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -5.970 -8.978 5.027 1.00 1.00 H new ATOM 276 N LEU A 22 -5.656 -8.739 0.390 1.00 1.00 N ATOM 277 CA LEU A 22 -6.033 -9.748 -0.635 1.00 1.00 C ATOM 278 C LEU A 22 -4.829 -10.581 -1.074 1.00 1.00 C ATOM 279 O LEU A 22 -4.987 -11.650 -1.631 1.00 1.00 O ATOM 280 CB LEU A 22 -6.600 -9.011 -1.859 1.00 1.00 C ATOM 281 CG LEU A 22 -7.815 -8.168 -1.437 1.00 1.00 C ATOM 282 CD1 LEU A 22 -7.985 -7.008 -2.422 1.00 1.00 C ATOM 283 CD2 LEU A 22 -9.078 -9.035 -1.466 1.00 1.00 C ATOM 0 H LEU A 22 -5.757 -7.766 0.100 1.00 1.00 H new ATOM 0 HA LEU A 22 -6.772 -10.422 -0.202 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -5.835 -8.370 -2.297 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -6.891 -9.729 -2.626 1.00 1.00 H new ATOM 0 HG LEU A 22 -7.659 -7.784 -0.429 1.00 1.00 H new ATOM 0 HD11 LEU A 22 -8.845 -6.405 -2.129 1.00 1.00 H new ATOM 0 HD12 LEU A 22 -7.088 -6.389 -2.413 1.00 1.00 H new ATOM 0 HD13 LEU A 22 -8.143 -7.403 -3.425 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -9.938 -8.436 -1.167 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -9.235 -9.416 -2.475 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -8.961 -9.871 -0.777 1.00 1.00 H new ATOM 295 N ARG A 23 -3.650 -10.086 -0.820 1.00 1.00 N ATOM 296 CA ARG A 23 -2.451 -10.833 -1.210 1.00 1.00 C ATOM 297 C ARG A 23 -2.201 -11.927 -0.185 1.00 1.00 C ATOM 298 O ARG A 23 -1.485 -12.880 -0.431 1.00 1.00 O ATOM 299 CB ARG A 23 -1.292 -9.839 -1.174 1.00 1.00 C ATOM 300 CG ARG A 23 -0.565 -9.797 -2.525 1.00 1.00 C ATOM 301 CD ARG A 23 0.257 -11.077 -2.725 1.00 1.00 C ATOM 302 NE ARG A 23 1.689 -10.702 -2.918 1.00 1.00 N ATOM 303 CZ ARG A 23 2.085 -10.262 -4.082 1.00 1.00 C ATOM 304 NH1 ARG A 23 1.905 -9.004 -4.377 1.00 1.00 N ATOM 305 NH2 ARG A 23 2.648 -11.094 -4.912 1.00 1.00 N ATOM 0 H ARG A 23 -3.478 -9.193 -0.358 1.00 1.00 H new ATOM 0 HA ARG A 23 -2.559 -11.284 -2.196 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -1.667 -8.846 -0.927 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.591 -10.120 -0.388 1.00 1.00 H new ATOM 0 HG2 ARG A 23 -1.289 -9.691 -3.333 1.00 1.00 H new ATOM 0 HG3 ARG A 23 0.089 -8.926 -2.567 1.00 1.00 H new ATOM 0 HD2 ARG A 23 0.151 -11.733 -1.861 1.00 1.00 H new ATOM 0 HD3 ARG A 23 -0.109 -11.629 -3.591 1.00 1.00 H new ATOM 0 HE ARG A 23 2.352 -10.789 -2.148 1.00 1.00 H new ATOM 0 HH11 ARG A 23 1.461 -8.381 -3.703 1.00 1.00 H new ATOM 0 HH12 ARG A 23 2.208 -8.644 -5.282 1.00 1.00 H new ATOM 0 HH21 ARG A 23 2.773 -12.071 -4.648 1.00 1.00 H new ATOM 0 HH22 ARG A 23 2.963 -10.768 -5.826 1.00 1.00 H new ATOM 319 N GLY A 24 -2.813 -11.749 0.957 1.00 1.00 N ATOM 320 CA GLY A 24 -2.660 -12.740 2.058 1.00 1.00 C ATOM 321 C GLY A 24 -1.935 -12.084 3.227 1.00 1.00 C ATOM 322 O GLY A 24 -1.157 -12.716 3.915 1.00 1.00 O ATOM 0 H GLY A 24 -3.415 -10.955 1.173 1.00 1.00 H new ATOM 0 HA2 GLY A 24 -3.638 -13.100 2.377 1.00 1.00 H new ATOM 0 HA3 GLY A 24 -2.100 -13.607 1.708 1.00 1.00 H new ATOM 326 N ASN A 25 -2.209 -10.819 3.427 1.00 1.00 N ATOM 327 CA ASN A 25 -1.560 -10.091 4.522 1.00 1.00 C ATOM 328 C ASN A 25 -2.549 -9.755 5.625 1.00 1.00 C ATOM 329 O ASN A 25 -3.642 -10.284 5.669 1.00 1.00 O ATOM 330 CB ASN A 25 -1.082 -8.797 3.927 1.00 1.00 C ATOM 331 CG ASN A 25 0.398 -8.673 4.141 1.00 1.00 C ATOM 332 OD1 ASN A 25 0.870 -8.023 5.049 1.00 1.00 O ATOM 333 ND2 ASN A 25 1.168 -9.289 3.309 1.00 1.00 N ATOM 0 H ASN A 25 -2.861 -10.269 2.867 1.00 1.00 H new ATOM 0 HA ASN A 25 -0.761 -10.695 4.951 1.00 1.00 H new ATOM 0 HB2 ASN A 25 -1.311 -8.766 2.862 1.00 1.00 H new ATOM 0 HB3 ASN A 25 -1.600 -7.957 4.389 1.00 1.00 H new ATOM 0 HD21 ASN A 25 2.181 -9.231 3.413 1.00 1.00 H new ATOM 0 HD22 ASN A 25 0.764 -9.834 2.547 1.00 1.00 H new ATOM 340 N ARG A 26 -2.132 -8.874 6.491 1.00 1.00 N ATOM 341 CA ARG A 26 -3.002 -8.446 7.606 1.00 1.00 C ATOM 342 C ARG A 26 -3.253 -6.950 7.465 1.00 1.00 C ATOM 343 O ARG A 26 -4.032 -6.367 8.194 1.00 1.00 O ATOM 344 CB ARG A 26 -2.273 -8.716 8.931 1.00 1.00 C ATOM 345 CG ARG A 26 -3.263 -8.601 10.095 1.00 1.00 C ATOM 346 CD ARG A 26 -2.528 -8.863 11.408 1.00 1.00 C ATOM 347 NE ARG A 26 -3.211 -9.967 12.135 1.00 1.00 N ATOM 348 CZ ARG A 26 -2.562 -11.070 12.378 1.00 1.00 C ATOM 349 NH1 ARG A 26 -1.672 -11.081 13.332 1.00 1.00 N ATOM 350 NH2 ARG A 26 -2.820 -12.127 11.656 1.00 1.00 N ATOM 0 H ARG A 26 -1.214 -8.431 6.468 1.00 1.00 H new ATOM 0 HA ARG A 26 -3.947 -8.989 7.590 1.00 1.00 H new ATOM 0 HB2 ARG A 26 -1.827 -9.711 8.916 1.00 1.00 H new ATOM 0 HB3 ARG A 26 -1.458 -8.004 9.061 1.00 1.00 H new ATOM 0 HG2 ARG A 26 -3.713 -7.608 10.108 1.00 1.00 H new ATOM 0 HG3 ARG A 26 -4.075 -9.318 9.970 1.00 1.00 H new ATOM 0 HD2 ARG A 26 -1.489 -9.128 11.211 1.00 1.00 H new ATOM 0 HD3 ARG A 26 -2.516 -7.961 12.019 1.00 1.00 H new ATOM 0 HE ARG A 26 -4.178 -9.861 12.440 1.00 1.00 H new ATOM 0 HH11 ARG A 26 -1.494 -10.235 13.873 1.00 1.00 H new ATOM 0 HH12 ARG A 26 -1.154 -11.936 13.536 1.00 1.00 H new ATOM 0 HH21 ARG A 26 -3.520 -12.080 10.916 1.00 1.00 H new ATOM 0 HH22 ARG A 26 -2.321 -12.999 11.832 1.00 1.00 H new ATOM 364 N GLY A 27 -2.582 -6.353 6.506 1.00 1.00 N ATOM 365 CA GLY A 27 -2.758 -4.890 6.292 1.00 1.00 C ATOM 366 C GLY A 27 -1.505 -4.293 5.645 1.00 1.00 C ATOM 367 O GLY A 27 -0.549 -4.992 5.379 1.00 1.00 O ATOM 0 H GLY A 27 -1.929 -6.814 5.872 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -3.625 -4.710 5.656 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -2.954 -4.397 7.244 1.00 1.00 H new ATOM 371 N GLY A 28 -1.539 -3.010 5.400 1.00 1.00 N ATOM 372 CA GLY A 28 -0.358 -2.353 4.767 1.00 1.00 C ATOM 373 C GLY A 28 -0.542 -0.833 4.720 1.00 1.00 C ATOM 374 O GLY A 28 -1.651 -0.339 4.718 1.00 1.00 O ATOM 0 H GLY A 28 -2.325 -2.394 5.608 1.00 1.00 H new ATOM 0 HA2 GLY A 28 0.544 -2.598 5.328 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -0.220 -2.739 3.757 1.00 1.00 H new ATOM 378 N TYR A 29 0.557 -0.123 4.680 1.00 1.00 N ATOM 379 CA TYR A 29 0.470 1.362 4.627 1.00 1.00 C ATOM 380 C TYR A 29 1.664 1.943 3.878 1.00 1.00 C ATOM 381 O TYR A 29 2.783 1.498 4.047 1.00 1.00 O ATOM 382 CB TYR A 29 0.463 1.908 6.063 1.00 1.00 C ATOM 383 CG TYR A 29 1.900 2.071 6.555 1.00 1.00 C ATOM 384 CD1 TYR A 29 2.581 0.999 7.093 1.00 1.00 C ATOM 385 CD2 TYR A 29 2.533 3.295 6.481 1.00 1.00 C ATOM 386 CE1 TYR A 29 3.874 1.145 7.550 1.00 1.00 C ATOM 387 CE2 TYR A 29 3.828 3.444 6.939 1.00 1.00 C ATOM 388 CZ TYR A 29 4.508 2.369 7.476 1.00 1.00 C ATOM 389 OH TYR A 29 5.800 2.514 7.938 1.00 1.00 O ATOM 0 H TYR A 29 1.502 -0.506 4.682 1.00 1.00 H new ATOM 0 HA TYR A 29 -0.443 1.647 4.104 1.00 1.00 H new ATOM 0 HB2 TYR A 29 -0.055 2.867 6.096 1.00 1.00 H new ATOM 0 HB3 TYR A 29 -0.082 1.229 6.719 1.00 1.00 H new ATOM 0 HD1 TYR A 29 2.097 0.036 7.157 1.00 1.00 H new ATOM 0 HD2 TYR A 29 2.012 4.143 6.062 1.00 1.00 H new ATOM 0 HE1 TYR A 29 4.394 0.296 7.969 1.00 1.00 H new ATOM 0 HE2 TYR A 29 4.312 4.408 6.877 1.00 1.00 H new ATOM 0 HH TYR A 29 6.281 1.666 7.836 1.00 1.00 H new ATOM 399 N CYS A 30 1.407 2.930 3.064 1.00 1.00 N ATOM 400 CA CYS A 30 2.513 3.551 2.293 1.00 1.00 C ATOM 401 C CYS A 30 3.464 4.325 3.201 1.00 1.00 C ATOM 402 O CYS A 30 3.114 5.366 3.723 1.00 1.00 O ATOM 403 CB CYS A 30 1.900 4.520 1.272 1.00 1.00 C ATOM 404 SG CYS A 30 2.544 4.459 -0.418 1.00 1.00 S ATOM 0 H CYS A 30 0.483 3.330 2.902 1.00 1.00 H new ATOM 0 HA CYS A 30 3.083 2.763 1.801 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.827 4.333 1.231 1.00 1.00 H new ATOM 0 HB3 CYS A 30 2.033 5.535 1.648 1.00 1.00 H new ATOM 409 N ASN A 31 4.650 3.797 3.369 1.00 1.00 N ATOM 410 CA ASN A 31 5.644 4.476 4.231 1.00 1.00 C ATOM 411 C ASN A 31 6.720 5.158 3.412 1.00 1.00 C ATOM 412 O ASN A 31 6.691 5.148 2.198 1.00 1.00 O ATOM 413 CB ASN A 31 6.324 3.427 5.104 1.00 1.00 C ATOM 414 CG ASN A 31 7.701 3.084 4.519 1.00 1.00 C ATOM 415 OD1 ASN A 31 7.792 2.722 3.267 1.00 1.00 O flip ATOM 416 ND2 ASN A 31 8.708 3.146 5.199 1.00 1.00 N flip ATOM 0 H ASN A 31 4.966 2.925 2.944 1.00 1.00 H new ATOM 0 HA ASN A 31 5.121 5.226 4.824 1.00 1.00 H new ATOM 0 HB2 ASN A 31 6.433 3.802 6.122 1.00 1.00 H new ATOM 0 HB3 ASN A 31 5.707 2.530 5.159 1.00 1.00 H new ATOM 0 HD21 ASN A 31 8.646 3.428 6.177 1.00 1.00 H new ATOM 0 HD22 ASN A 31 9.614 2.916 4.791 1.00 1.00 H new ATOM 423 N GLY A 32 7.661 5.714 4.116 1.00 1.00 N ATOM 424 CA GLY A 32 8.787 6.416 3.457 1.00 1.00 C ATOM 425 C GLY A 32 8.284 7.647 2.727 1.00 1.00 C ATOM 426 O GLY A 32 8.538 8.768 3.124 1.00 1.00 O ATOM 0 H GLY A 32 7.696 5.711 5.135 1.00 1.00 H new ATOM 0 HA2 GLY A 32 9.530 6.704 4.201 1.00 1.00 H new ATOM 0 HA3 GLY A 32 9.282 5.745 2.755 1.00 1.00 H new ATOM 430 N LYS A 33 7.576 7.405 1.678 1.00 1.00 N ATOM 431 CA LYS A 33 7.034 8.525 0.884 1.00 1.00 C ATOM 432 C LYS A 33 6.043 8.025 -0.170 1.00 1.00 C ATOM 433 O LYS A 33 5.134 8.734 -0.551 1.00 1.00 O ATOM 434 CB LYS A 33 8.217 9.179 0.179 1.00 1.00 C ATOM 435 CG LYS A 33 7.717 10.032 -0.992 1.00 1.00 C ATOM 436 CD LYS A 33 8.705 11.174 -1.241 1.00 1.00 C ATOM 437 CE LYS A 33 8.305 12.377 -0.381 1.00 1.00 C ATOM 438 NZ LYS A 33 9.442 13.330 -0.252 1.00 1.00 N ATOM 0 H LYS A 33 7.346 6.474 1.331 1.00 1.00 H new ATOM 0 HA LYS A 33 6.507 9.222 1.535 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.773 9.800 0.882 1.00 1.00 H new ATOM 0 HB3 LYS A 33 8.904 8.414 -0.183 1.00 1.00 H new ATOM 0 HG2 LYS A 33 7.618 9.419 -1.888 1.00 1.00 H new ATOM 0 HG3 LYS A 33 6.728 10.433 -0.769 1.00 1.00 H new ATOM 0 HD2 LYS A 33 9.718 10.856 -0.995 1.00 1.00 H new ATOM 0 HD3 LYS A 33 8.705 11.449 -2.296 1.00 1.00 H new ATOM 0 HE2 LYS A 33 7.449 12.882 -0.828 1.00 1.00 H new ATOM 0 HE3 LYS A 33 7.994 12.037 0.607 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 9.152 14.139 0.334 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 10.249 12.850 0.195 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 9.720 13.668 -1.195 1.00 1.00 H new ATOM 452 N ALA A 34 6.238 6.810 -0.620 1.00 1.00 N ATOM 453 CA ALA A 34 5.319 6.262 -1.641 1.00 1.00 C ATOM 454 C ALA A 34 5.564 4.773 -1.870 1.00 1.00 C ATOM 455 O ALA A 34 5.274 4.251 -2.929 1.00 1.00 O ATOM 456 CB ALA A 34 5.551 7.014 -2.958 1.00 1.00 C ATOM 0 H ALA A 34 6.988 6.186 -0.323 1.00 1.00 H new ATOM 0 HA ALA A 34 4.294 6.388 -1.292 1.00 1.00 H new ATOM 0 HB1 ALA A 34 4.881 6.623 -3.723 1.00 1.00 H new ATOM 0 HB2 ALA A 34 5.353 8.076 -2.811 1.00 1.00 H new ATOM 0 HB3 ALA A 34 6.584 6.879 -3.277 1.00 1.00 H new ATOM 462 N VAL A 35 6.093 4.119 -0.869 1.00 1.00 N ATOM 463 CA VAL A 35 6.365 2.659 -0.995 1.00 1.00 C ATOM 464 C VAL A 35 5.323 1.866 -0.214 1.00 1.00 C ATOM 465 O VAL A 35 5.159 2.057 0.974 1.00 1.00 O ATOM 466 CB VAL A 35 7.752 2.371 -0.408 1.00 1.00 C ATOM 467 CG1 VAL A 35 7.961 0.858 -0.341 1.00 1.00 C ATOM 468 CG2 VAL A 35 8.817 2.991 -1.313 1.00 1.00 C ATOM 0 H VAL A 35 6.347 4.533 0.028 1.00 1.00 H new ATOM 0 HA VAL A 35 6.324 2.368 -2.045 1.00 1.00 H new ATOM 0 HB VAL A 35 7.829 2.797 0.592 1.00 1.00 H new ATOM 0 HG11 VAL A 35 8.945 0.645 0.075 1.00 1.00 H new ATOM 0 HG12 VAL A 35 7.194 0.413 0.293 1.00 1.00 H new ATOM 0 HG13 VAL A 35 7.892 0.436 -1.344 1.00 1.00 H new ATOM 0 HG21 VAL A 35 9.806 2.790 -0.901 1.00 1.00 H new ATOM 0 HG22 VAL A 35 8.744 2.558 -2.310 1.00 1.00 H new ATOM 0 HG23 VAL A 35 8.661 4.068 -1.373 1.00 1.00 H new ATOM 478 N CYS A 36 4.641 0.988 -0.893 1.00 1.00 N ATOM 479 CA CYS A 36 3.604 0.184 -0.201 1.00 1.00 C ATOM 480 C CYS A 36 4.215 -0.832 0.758 1.00 1.00 C ATOM 481 O CYS A 36 4.720 -1.854 0.341 1.00 1.00 O ATOM 482 CB CYS A 36 2.798 -0.580 -1.259 1.00 1.00 C ATOM 483 SG CYS A 36 1.388 -1.552 -0.678 1.00 1.00 S ATOM 0 H CYS A 36 4.757 0.795 -1.888 1.00 1.00 H new ATOM 0 HA CYS A 36 2.977 0.864 0.375 1.00 1.00 H new ATOM 0 HB2 CYS A 36 2.433 0.140 -1.992 1.00 1.00 H new ATOM 0 HB3 CYS A 36 3.478 -1.251 -1.783 1.00 1.00 H new ATOM 488 N VAL A 37 4.158 -0.533 2.032 1.00 1.00 N ATOM 489 CA VAL A 37 4.722 -1.479 3.029 1.00 1.00 C ATOM 490 C VAL A 37 3.607 -2.351 3.596 1.00 1.00 C ATOM 491 O VAL A 37 2.754 -1.880 4.321 1.00 1.00 O ATOM 492 CB VAL A 37 5.365 -0.669 4.165 1.00 1.00 C ATOM 493 CG1 VAL A 37 5.377 -1.502 5.452 1.00 1.00 C ATOM 494 CG2 VAL A 37 6.805 -0.339 3.777 1.00 1.00 C ATOM 0 H VAL A 37 3.748 0.318 2.417 1.00 1.00 H new ATOM 0 HA VAL A 37 5.468 -2.117 2.555 1.00 1.00 H new ATOM 0 HB VAL A 37 4.796 0.246 4.330 1.00 1.00 H new ATOM 0 HG11 VAL A 37 5.834 -0.924 6.255 1.00 1.00 H new ATOM 0 HG12 VAL A 37 4.355 -1.761 5.727 1.00 1.00 H new ATOM 0 HG13 VAL A 37 5.951 -2.414 5.290 1.00 1.00 H new ATOM 0 HG21 VAL A 37 7.274 0.236 4.575 1.00 1.00 H new ATOM 0 HG22 VAL A 37 7.361 -1.264 3.621 1.00 1.00 H new ATOM 0 HG23 VAL A 37 6.809 0.246 2.857 1.00 1.00 H new ATOM 504 N CYS A 38 3.626 -3.605 3.238 1.00 1.00 N ATOM 505 CA CYS A 38 2.579 -4.516 3.739 1.00 1.00 C ATOM 506 C CYS A 38 2.722 -4.757 5.238 1.00 1.00 C ATOM 507 O CYS A 38 3.525 -4.128 5.900 1.00 1.00 O ATOM 508 CB CYS A 38 2.700 -5.846 2.994 1.00 1.00 C ATOM 509 SG CYS A 38 1.386 -6.269 1.821 1.00 1.00 S ATOM 0 H CYS A 38 4.320 -4.030 2.623 1.00 1.00 H new ATOM 0 HA CYS A 38 1.603 -4.062 3.566 1.00 1.00 H new ATOM 0 HB2 CYS A 38 3.646 -5.844 2.453 1.00 1.00 H new ATOM 0 HB3 CYS A 38 2.759 -6.643 3.735 1.00 1.00 H new ATOM 514 N ARG A 39 1.940 -5.667 5.742 1.00 1.00 N ATOM 515 CA ARG A 39 1.997 -5.976 7.184 1.00 1.00 C ATOM 516 C ARG A 39 1.126 -7.187 7.502 1.00 1.00 C ATOM 517 O ARG A 39 -0.085 -7.135 7.371 1.00 1.00 O ATOM 518 CB ARG A 39 1.475 -4.766 7.974 1.00 1.00 C ATOM 519 CG ARG A 39 1.951 -4.869 9.426 1.00 1.00 C ATOM 520 CD ARG A 39 0.892 -4.261 10.345 1.00 1.00 C ATOM 521 NE ARG A 39 -0.240 -5.221 10.479 1.00 1.00 N ATOM 522 CZ ARG A 39 -0.808 -5.392 11.642 1.00 1.00 C ATOM 523 NH1 ARG A 39 -1.643 -4.489 12.075 1.00 1.00 N ATOM 524 NH2 ARG A 39 -0.518 -6.459 12.336 1.00 1.00 N ATOM 0 H ARG A 39 1.261 -6.210 5.209 1.00 1.00 H new ATOM 0 HA ARG A 39 3.028 -6.196 7.460 1.00 1.00 H new ATOM 0 HB2 ARG A 39 1.836 -3.841 7.525 1.00 1.00 H new ATOM 0 HB3 ARG A 39 0.386 -4.735 7.937 1.00 1.00 H new ATOM 0 HG2 ARG A 39 2.125 -5.912 9.691 1.00 1.00 H new ATOM 0 HG3 ARG A 39 2.900 -4.346 9.548 1.00 1.00 H new ATOM 0 HD2 ARG A 39 1.321 -4.045 11.324 1.00 1.00 H new ATOM 0 HD3 ARG A 39 0.537 -3.315 9.937 1.00 1.00 H new ATOM 0 HE ARG A 39 -0.569 -5.742 9.666 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -1.843 -3.666 11.507 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -2.096 -4.606 12.981 1.00 1.00 H new ATOM 0 HH21 ARG A 39 0.143 -7.143 11.968 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -0.952 -6.609 13.247 1.00 1.00 H new ATOM 538 N ASN A 40 1.760 -8.260 7.890 1.00 1.00 N ATOM 539 CA ASN A 40 0.999 -9.478 8.214 1.00 1.00 C ATOM 540 C ASN A 40 0.646 -9.518 9.698 1.00 1.00 C ATOM 541 O ASN A 40 0.336 -10.606 10.152 1.00 1.00 O ATOM 542 CB ASN A 40 1.871 -10.694 7.878 1.00 1.00 C ATOM 543 CG ASN A 40 0.989 -11.920 7.698 1.00 1.00 C ATOM 544 OD1 ASN A 40 0.155 -11.982 6.818 1.00 1.00 O ATOM 545 ND2 ASN A 40 1.143 -12.921 8.519 1.00 1.00 N ATOM 546 OXT ASN A 40 0.704 -8.455 10.296 1.00 1.00 O ATOM 0 H ASN A 40 2.772 -8.336 7.994 1.00 1.00 H new ATOM 0 HA ASN A 40 0.074 -9.487 7.637 1.00 1.00 H new ATOM 0 HB2 ASN A 40 2.440 -10.506 6.967 1.00 1.00 H new ATOM 0 HB3 ASN A 40 2.594 -10.867 8.675 1.00 1.00 H new ATOM 0 HD21 ASN A 40 0.563 -13.755 8.421 1.00 1.00 H new ATOM 0 HD22 ASN A 40 1.843 -12.871 9.259 1.00 1.00 H new TER 553 ASN A 40