USER MOD reduce.3.24.130724 H: found=0, std=0, add=256, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 256 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+ -165:sc= 0.05 (180deg=0.00277) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0339 X(o=-0.034,f=-0.069) USER MOD Single : A 20 ASN : amide:sc= 0.687 K(o=0.69,f=-0.1) USER MOD Single : A 21 THR OG1 : rot -63:sc= 0.672 USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00667) USER MOD Single : A 31 SER OG : rot -172:sc= 0.936 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.579 -6.505 -5.225 1.00 0.00 N ATOM 2 CA ASP A 1 -7.675 -7.364 -4.033 1.00 0.00 C ATOM 3 C ASP A 1 -7.261 -6.523 -2.827 1.00 0.00 C ATOM 4 O ASP A 1 -6.960 -5.350 -3.019 1.00 0.00 O ATOM 5 CB ASP A 1 -6.801 -8.609 -4.184 1.00 0.00 C ATOM 6 CG ASP A 1 -5.356 -8.264 -3.943 1.00 0.00 C ATOM 7 OD1 ASP A 1 -4.780 -7.611 -4.833 1.00 0.00 O ATOM 8 OD2 ASP A 1 -4.846 -8.593 -2.855 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.086 -6.951 -6.016 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.004 -5.578 -5.020 1.00 0.00 H new ATOM 0 H3 ASP A 1 -6.579 -6.378 -5.482 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.695 -7.723 -3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -7.122 -9.375 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -6.921 -9.027 -5.184 1.00 0.00 H new ATOM 15 N ILE A 2 -7.203 -7.068 -1.613 1.00 0.00 N ATOM 16 CA ILE A 2 -6.799 -6.303 -0.431 1.00 0.00 C ATOM 17 C ILE A 2 -5.458 -5.593 -0.633 1.00 0.00 C ATOM 18 O ILE A 2 -5.227 -4.530 -0.069 1.00 0.00 O ATOM 19 CB ILE A 2 -6.768 -7.230 0.792 1.00 0.00 C ATOM 20 CG1 ILE A 2 -6.597 -6.503 2.133 1.00 0.00 C ATOM 21 CG2 ILE A 2 -5.639 -8.268 0.707 1.00 0.00 C ATOM 22 CD1 ILE A 2 -7.795 -5.649 2.534 1.00 0.00 C ATOM 0 H ILE A 2 -7.432 -8.043 -1.420 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.535 -5.517 -0.262 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.748 -7.707 0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.413 -7.241 2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.713 -5.868 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.658 -8.900 1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.778 -8.885 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.678 -7.757 0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.595 -5.169 3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.968 -4.886 1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.679 -6.281 2.622 1.00 0.00 H new ATOM 34 N CYS A 3 -4.564 -6.140 -1.454 1.00 0.00 N ATOM 35 CA CYS A 3 -3.342 -5.430 -1.812 1.00 0.00 C ATOM 36 C CYS A 3 -3.654 -4.091 -2.468 1.00 0.00 C ATOM 37 O CYS A 3 -3.123 -3.048 -2.091 1.00 0.00 O ATOM 38 CB CYS A 3 -2.527 -6.254 -2.793 1.00 0.00 C ATOM 39 SG CYS A 3 -0.801 -5.787 -2.816 1.00 0.00 S ATOM 0 H CYS A 3 -4.662 -7.062 -1.879 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.782 -5.263 -0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.611 -7.309 -2.533 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.944 -6.138 -3.793 1.00 0.00 H new ATOM 44 N ASP A 4 -4.552 -4.127 -3.452 1.00 0.00 N ATOM 45 CA ASP A 4 -5.018 -2.939 -4.147 1.00 0.00 C ATOM 46 C ASP A 4 -5.668 -1.997 -3.144 1.00 0.00 C ATOM 47 O ASP A 4 -5.402 -0.800 -3.150 1.00 0.00 O ATOM 48 CB ASP A 4 -6.009 -3.302 -5.254 1.00 0.00 C ATOM 49 CG ASP A 4 -6.439 -2.047 -5.977 1.00 0.00 C ATOM 50 OD1 ASP A 4 -5.737 -1.681 -6.944 1.00 0.00 O ATOM 51 OD2 ASP A 4 -7.509 -1.516 -5.616 1.00 0.00 O ATOM 0 H ASP A 4 -4.977 -4.991 -3.788 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.165 -2.446 -4.614 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.549 -3.998 -5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.877 -3.805 -4.829 1.00 0.00 H new ATOM 56 N ILE A 5 -6.481 -2.557 -2.248 1.00 0.00 N ATOM 57 CA ILE A 5 -7.075 -1.797 -1.163 1.00 0.00 C ATOM 58 C ILE A 5 -5.971 -1.054 -0.407 1.00 0.00 C ATOM 59 O ILE A 5 -6.021 0.162 -0.301 1.00 0.00 O ATOM 60 CB ILE A 5 -7.940 -2.680 -0.248 1.00 0.00 C ATOM 61 CG1 ILE A 5 -9.027 -3.371 -1.085 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.560 -1.860 0.886 1.00 0.00 C ATOM 63 CD1 ILE A 5 -10.037 -4.186 -0.281 1.00 0.00 C ATOM 0 H ILE A 5 -6.741 -3.543 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.761 -1.057 -1.576 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.307 -3.439 0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.565 -2.612 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.545 -4.029 -1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.166 -2.511 1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.768 -1.410 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.188 -1.075 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.764 -4.635 -0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.517 -4.972 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -10.553 -3.533 0.424 1.00 0.00 H new ATOM 75 N ALA A 6 -4.956 -1.747 0.105 1.00 0.00 N ATOM 76 CA ALA A 6 -3.853 -1.126 0.829 1.00 0.00 C ATOM 77 C ALA A 6 -3.220 0.009 0.030 1.00 0.00 C ATOM 78 O ALA A 6 -2.837 1.029 0.604 1.00 0.00 O ATOM 79 CB ALA A 6 -2.798 -2.184 1.167 1.00 0.00 C ATOM 0 H ALA A 6 -4.877 -2.761 0.028 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.252 -0.698 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.975 -1.717 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.246 -2.960 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.421 -2.629 0.246 1.00 0.00 H new ATOM 85 N ILE A 7 -3.106 -0.166 -1.284 1.00 0.00 N ATOM 86 CA ILE A 7 -2.545 0.837 -2.172 1.00 0.00 C ATOM 87 C ILE A 7 -3.466 2.060 -2.260 1.00 0.00 C ATOM 88 O ILE A 7 -3.008 3.190 -2.089 1.00 0.00 O ATOM 89 CB ILE A 7 -2.164 0.193 -3.514 1.00 0.00 C ATOM 90 CG1 ILE A 7 -1.041 -0.834 -3.265 1.00 0.00 C ATOM 91 CG2 ILE A 7 -1.654 1.245 -4.503 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.896 -1.833 -4.413 1.00 0.00 C ATOM 0 H ILE A 7 -3.404 -1.016 -1.762 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.612 1.231 -1.769 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.048 -0.285 -3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.097 -0.308 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.246 -1.375 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.391 0.762 -5.444 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.434 1.986 -4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.773 1.737 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.092 -2.533 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.830 -2.381 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.663 -1.298 -5.334 1.00 0.00 H new ATOM 104 N ALA A 8 -4.764 1.857 -2.467 1.00 0.00 N ATOM 105 CA ALA A 8 -5.767 2.917 -2.471 1.00 0.00 C ATOM 106 C ALA A 8 -5.804 3.649 -1.127 1.00 0.00 C ATOM 107 O ALA A 8 -5.857 4.878 -1.058 1.00 0.00 O ATOM 108 CB ALA A 8 -7.130 2.293 -2.760 1.00 0.00 C ATOM 0 H ALA A 8 -5.156 0.931 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.512 3.647 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.893 3.072 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.106 1.800 -3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.366 1.561 -1.988 1.00 0.00 H new ATOM 114 N GLN A 9 -5.722 2.879 -0.046 1.00 0.00 N ATOM 115 CA GLN A 9 -5.684 3.345 1.332 1.00 0.00 C ATOM 116 C GLN A 9 -4.310 3.956 1.643 1.00 0.00 C ATOM 117 O GLN A 9 -4.123 4.506 2.722 1.00 0.00 O ATOM 118 CB GLN A 9 -5.939 2.139 2.252 1.00 0.00 C ATOM 119 CG GLN A 9 -7.334 1.517 2.089 1.00 0.00 C ATOM 120 CD GLN A 9 -8.469 2.372 2.625 1.00 0.00 C ATOM 121 OE1 GLN A 9 -8.534 2.672 3.818 1.00 0.00 O ATOM 122 NE2 GLN A 9 -9.410 2.727 1.766 1.00 0.00 N ATOM 0 H GLN A 9 -5.678 1.862 -0.113 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.445 4.109 1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.186 1.376 2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.810 2.451 3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.510 1.322 1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.350 0.553 2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.329 2.464 0.784 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.216 3.264 2.086 1.00 0.00 H new ATOM 131 N CYS A 10 -3.366 3.818 0.705 1.00 0.00 N ATOM 132 CA CYS A 10 -1.944 4.100 0.759 1.00 0.00 C ATOM 133 C CYS A 10 -1.445 3.988 2.193 1.00 0.00 C ATOM 134 O CYS A 10 -1.104 4.976 2.836 1.00 0.00 O ATOM 135 CB CYS A 10 -1.564 5.444 0.151 1.00 0.00 C ATOM 136 SG CYS A 10 -2.646 6.871 0.365 1.00 0.00 S ATOM 0 H CYS A 10 -3.622 3.463 -0.216 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.451 3.349 0.141 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.587 5.716 0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.438 5.291 -0.921 1.00 0.00 H new ATOM 141 N SER A 11 -1.404 2.757 2.690 1.00 0.00 N ATOM 142 CA SER A 11 -1.121 2.454 4.080 1.00 0.00 C ATOM 143 C SER A 11 -0.251 1.203 4.160 1.00 0.00 C ATOM 144 O SER A 11 -0.708 0.105 3.847 1.00 0.00 O ATOM 145 CB SER A 11 -2.449 2.284 4.827 1.00 0.00 C ATOM 146 OG SER A 11 -2.227 2.040 6.203 1.00 0.00 O ATOM 0 H SER A 11 -1.571 1.927 2.122 1.00 0.00 H new ATOM 0 HA SER A 11 -0.568 3.267 4.551 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.056 3.181 4.706 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.012 1.457 4.393 1.00 0.00 H new ATOM 0 HG SER A 11 -3.088 1.937 6.660 1.00 0.00 H new ATOM 152 N LEU A 12 0.996 1.353 4.612 1.00 0.00 N ATOM 153 CA LEU A 12 1.920 0.234 4.720 1.00 0.00 C ATOM 154 C LEU A 12 1.396 -0.775 5.738 1.00 0.00 C ATOM 155 O LEU A 12 1.487 -1.976 5.513 1.00 0.00 O ATOM 156 CB LEU A 12 3.332 0.691 5.089 1.00 0.00 C ATOM 157 CG LEU A 12 3.897 1.811 4.201 1.00 0.00 C ATOM 158 CD1 LEU A 12 5.364 2.008 4.556 1.00 0.00 C ATOM 159 CD2 LEU A 12 3.896 1.501 2.706 1.00 0.00 C ATOM 0 H LEU A 12 1.386 2.247 4.910 1.00 0.00 H new ATOM 0 HA LEU A 12 1.985 -0.243 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.330 1.033 6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.002 -0.167 5.038 1.00 0.00 H new ATOM 0 HG LEU A 12 3.256 2.674 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.785 2.800 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.450 2.285 5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.909 1.081 4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.312 2.347 2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.501 0.614 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.874 1.320 2.373 1.00 0.00 H new ATOM 171 N THR A 13 0.792 -0.312 6.834 1.00 0.00 N ATOM 172 CA THR A 13 0.156 -1.237 7.758 1.00 0.00 C ATOM 173 C THR A 13 -0.828 -2.166 7.039 1.00 0.00 C ATOM 174 O THR A 13 -0.862 -3.361 7.328 1.00 0.00 O ATOM 175 CB THR A 13 -0.500 -0.474 8.915 1.00 0.00 C ATOM 176 OG1 THR A 13 0.473 0.309 9.588 1.00 0.00 O ATOM 177 CG2 THR A 13 -1.103 -1.455 9.924 1.00 0.00 C ATOM 0 H THR A 13 0.733 0.672 7.095 1.00 0.00 H new ATOM 0 HA THR A 13 0.926 -1.880 8.184 1.00 0.00 H new ATOM 0 HB THR A 13 -1.282 0.163 8.503 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.048 0.796 10.325 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.565 -0.899 10.740 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.857 -2.068 9.430 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.317 -2.097 10.322 1.00 0.00 H new ATOM 185 N LEU A 14 -1.621 -1.653 6.100 1.00 0.00 N ATOM 186 CA LEU A 14 -2.565 -2.496 5.382 1.00 0.00 C ATOM 187 C LEU A 14 -1.832 -3.391 4.376 1.00 0.00 C ATOM 188 O LEU A 14 -2.324 -4.455 4.020 1.00 0.00 O ATOM 189 CB LEU A 14 -3.663 -1.636 4.743 1.00 0.00 C ATOM 190 CG LEU A 14 -5.080 -2.175 4.930 1.00 0.00 C ATOM 191 CD1 LEU A 14 -6.097 -1.187 4.353 1.00 0.00 C ATOM 192 CD2 LEU A 14 -5.246 -3.518 4.253 1.00 0.00 C ATOM 0 H LEU A 14 -1.627 -0.671 5.824 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.062 -3.168 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.611 -0.632 5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.461 -1.545 3.676 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.253 -2.300 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.104 -1.580 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.007 -0.230 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.905 -1.047 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.264 -3.877 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.051 -3.414 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.543 -4.231 4.682 1.00 0.00 H new ATOM 204 N CYS A 15 -0.623 -3.019 3.942 1.00 0.00 N ATOM 205 CA CYS A 15 0.138 -3.867 3.020 1.00 0.00 C ATOM 206 C CYS A 15 0.494 -5.197 3.668 1.00 0.00 C ATOM 207 O CYS A 15 0.806 -6.160 2.972 1.00 0.00 O ATOM 208 CB CYS A 15 1.417 -3.202 2.504 1.00 0.00 C ATOM 209 SG CYS A 15 1.199 -2.025 1.165 1.00 0.00 S ATOM 0 H CYS A 15 -0.157 -2.152 4.209 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.517 -4.032 2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.900 -2.691 3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.100 -3.982 2.169 1.00 0.00 H new ATOM 214 N GLN A 16 0.454 -5.275 4.996 1.00 0.00 N ATOM 215 CA GLN A 16 0.563 -6.540 5.695 1.00 0.00 C ATOM 216 C GLN A 16 -0.446 -7.544 5.120 1.00 0.00 C ATOM 217 O GLN A 16 -0.098 -8.701 4.898 1.00 0.00 O ATOM 218 CB GLN A 16 0.329 -6.305 7.187 1.00 0.00 C ATOM 219 CG GLN A 16 1.363 -5.337 7.795 1.00 0.00 C ATOM 220 CD GLN A 16 2.703 -6.001 8.076 1.00 0.00 C ATOM 221 OE1 GLN A 16 3.746 -5.599 7.570 1.00 0.00 O ATOM 222 NE2 GLN A 16 2.692 -7.017 8.925 1.00 0.00 N ATOM 0 H GLN A 16 0.346 -4.466 5.608 1.00 0.00 H new ATOM 0 HA GLN A 16 1.560 -6.959 5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.673 -5.904 7.337 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.373 -7.258 7.714 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.514 -4.500 7.113 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.966 -4.925 8.723 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.811 -7.332 9.332 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.564 -7.485 9.172 1.00 0.00 H new ATOM 231 N ASP A 17 -1.676 -7.111 4.833 1.00 0.00 N ATOM 232 CA ASP A 17 -2.710 -8.002 4.319 1.00 0.00 C ATOM 233 C ASP A 17 -2.442 -8.352 2.855 1.00 0.00 C ATOM 234 O ASP A 17 -3.058 -9.278 2.333 1.00 0.00 O ATOM 235 CB ASP A 17 -4.118 -7.390 4.438 1.00 0.00 C ATOM 236 CG ASP A 17 -4.652 -7.173 5.842 1.00 0.00 C ATOM 237 OD1 ASP A 17 -3.855 -7.054 6.802 1.00 0.00 O ATOM 238 OD2 ASP A 17 -5.889 -7.109 5.980 1.00 0.00 O ATOM 0 H ASP A 17 -1.978 -6.144 4.950 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.675 -8.904 4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.116 -6.429 3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.816 -8.036 3.905 1.00 0.00 H new ATOM 243 N CYS A 18 -1.538 -7.654 2.165 1.00 0.00 N ATOM 244 CA CYS A 18 -1.215 -7.991 0.784 1.00 0.00 C ATOM 245 C CYS A 18 -0.372 -9.265 0.765 1.00 0.00 C ATOM 246 O CYS A 18 0.359 -9.547 1.718 1.00 0.00 O ATOM 247 CB CYS A 18 -0.439 -6.862 0.094 1.00 0.00 C ATOM 248 SG CYS A 18 0.032 -7.274 -1.602 1.00 0.00 S ATOM 0 H CYS A 18 -1.022 -6.858 2.540 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.149 -8.140 0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.049 -5.959 0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.458 -6.637 0.671 1.00 0.00 H new ATOM 253 N GLU A 19 -0.472 -10.042 -0.310 1.00 0.00 N ATOM 254 CA GLU A 19 0.375 -11.191 -0.581 1.00 0.00 C ATOM 255 C GLU A 19 1.844 -10.804 -0.387 1.00 0.00 C ATOM 256 O GLU A 19 2.561 -11.403 0.410 1.00 0.00 O ATOM 257 CB GLU A 19 0.057 -11.669 -1.994 1.00 0.00 C ATOM 258 CG GLU A 19 0.833 -12.886 -2.497 1.00 0.00 C ATOM 259 CD GLU A 19 0.342 -13.267 -3.876 1.00 0.00 C ATOM 260 OE1 GLU A 19 -0.886 -13.405 -4.046 1.00 0.00 O ATOM 261 OE2 GLU A 19 1.189 -13.370 -4.786 1.00 0.00 O ATOM 0 H GLU A 19 -1.168 -9.881 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 19 0.186 -12.013 0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.007 -11.899 -2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.237 -10.843 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.899 -12.662 -2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.703 -13.722 -1.810 1.00 0.00 H new ATOM 268 N ASN A 20 2.279 -9.790 -1.134 1.00 0.00 N ATOM 269 CA ASN A 20 3.641 -9.303 -1.181 1.00 0.00 C ATOM 270 C ASN A 20 3.742 -7.919 -0.539 1.00 0.00 C ATOM 271 O ASN A 20 3.784 -6.898 -1.228 1.00 0.00 O ATOM 272 CB ASN A 20 4.138 -9.350 -2.632 1.00 0.00 C ATOM 273 CG ASN A 20 3.169 -8.853 -3.708 1.00 0.00 C ATOM 274 OD1 ASN A 20 2.871 -9.563 -4.667 1.00 0.00 O ATOM 275 ND2 ASN A 20 2.642 -7.641 -3.607 1.00 0.00 N ATOM 0 H ASN A 20 1.655 -9.267 -1.749 1.00 0.00 H new ATOM 0 HA ASN A 20 4.298 -9.944 -0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.052 -8.759 -2.698 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.407 -10.380 -2.866 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.996 -7.305 -4.321 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.883 -7.045 -2.815 1.00 0.00 H new ATOM 282 N THR A 21 3.817 -7.874 0.790 1.00 0.00 N ATOM 283 CA THR A 21 3.948 -6.655 1.575 1.00 0.00 C ATOM 284 C THR A 21 4.955 -5.630 1.012 1.00 0.00 C ATOM 285 O THR A 21 4.545 -4.496 0.819 1.00 0.00 O ATOM 286 CB THR A 21 4.128 -7.018 3.054 1.00 0.00 C ATOM 287 OG1 THR A 21 3.088 -7.910 3.416 1.00 0.00 O ATOM 288 CG2 THR A 21 4.104 -5.851 4.046 1.00 0.00 C ATOM 0 H THR A 21 3.787 -8.715 1.366 1.00 0.00 H new ATOM 0 HA THR A 21 3.017 -6.094 1.492 1.00 0.00 H new ATOM 0 HB THR A 21 5.129 -7.444 3.125 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.223 -7.460 3.320 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.241 -6.231 5.058 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.908 -5.155 3.808 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.146 -5.336 3.978 1.00 0.00 H new ATOM 296 N PRO A 22 6.226 -5.933 0.693 1.00 0.00 N ATOM 297 CA PRO A 22 7.177 -4.908 0.251 1.00 0.00 C ATOM 298 C PRO A 22 6.854 -4.362 -1.143 1.00 0.00 C ATOM 299 O PRO A 22 7.043 -3.177 -1.422 1.00 0.00 O ATOM 300 CB PRO A 22 8.542 -5.602 0.259 1.00 0.00 C ATOM 301 CG PRO A 22 8.203 -7.076 0.033 1.00 0.00 C ATOM 302 CD PRO A 22 6.870 -7.234 0.765 1.00 0.00 C ATOM 0 HA PRO A 22 7.142 -4.040 0.909 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.192 -5.216 -0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.062 -5.452 1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.112 -7.312 -1.027 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.969 -7.734 0.442 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.255 -8.002 0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.025 -7.537 1.800 1.00 0.00 H new ATOM 310 N ILE A 23 6.386 -5.211 -2.051 1.00 0.00 N ATOM 311 CA ILE A 23 5.961 -4.764 -3.372 1.00 0.00 C ATOM 312 C ILE A 23 4.788 -3.798 -3.209 1.00 0.00 C ATOM 313 O ILE A 23 4.713 -2.753 -3.864 1.00 0.00 O ATOM 314 CB ILE A 23 5.616 -5.992 -4.210 1.00 0.00 C ATOM 315 CG1 ILE A 23 6.922 -6.704 -4.590 1.00 0.00 C ATOM 316 CG2 ILE A 23 4.745 -5.679 -5.434 1.00 0.00 C ATOM 317 CD1 ILE A 23 7.545 -6.174 -5.881 1.00 0.00 C ATOM 0 H ILE A 23 6.291 -6.215 -1.896 1.00 0.00 H new ATOM 0 HA ILE A 23 6.751 -4.225 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 23 4.996 -6.655 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.639 -6.593 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.728 -7.771 -4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.541 -6.600 -5.980 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.805 -5.235 -5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.270 -4.980 -6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.465 -6.720 -6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.845 -6.310 -6.705 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.770 -5.114 -5.768 1.00 0.00 H new ATOM 329 N CYS A 24 3.879 -4.162 -2.305 1.00 0.00 N ATOM 330 CA CYS A 24 2.741 -3.336 -1.944 1.00 0.00 C ATOM 331 C CYS A 24 3.202 -2.033 -1.315 1.00 0.00 C ATOM 332 O CYS A 24 2.708 -0.979 -1.680 1.00 0.00 O ATOM 333 CB CYS A 24 1.812 -4.106 -1.017 1.00 0.00 C ATOM 334 SG CYS A 24 0.403 -3.167 -0.392 1.00 0.00 S ATOM 0 H CYS A 24 3.918 -5.048 -1.801 1.00 0.00 H new ATOM 0 HA CYS A 24 2.185 -3.083 -2.847 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.439 -4.982 -1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.391 -4.470 -0.169 1.00 0.00 H new ATOM 339 N GLU A 25 4.174 -2.084 -0.408 1.00 0.00 N ATOM 340 CA GLU A 25 4.764 -0.921 0.226 1.00 0.00 C ATOM 341 C GLU A 25 5.257 0.060 -0.838 1.00 0.00 C ATOM 342 O GLU A 25 5.006 1.265 -0.777 1.00 0.00 O ATOM 343 CB GLU A 25 5.939 -1.370 1.106 1.00 0.00 C ATOM 344 CG GLU A 25 5.573 -1.825 2.529 1.00 0.00 C ATOM 345 CD GLU A 25 6.727 -1.630 3.497 1.00 0.00 C ATOM 346 OE1 GLU A 25 7.507 -0.669 3.320 1.00 0.00 O ATOM 347 OE2 GLU A 25 6.837 -2.478 4.408 1.00 0.00 O ATOM 0 H GLU A 25 4.581 -2.963 -0.089 1.00 0.00 H new ATOM 0 HA GLU A 25 4.015 -0.423 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.452 -2.190 0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.649 -0.546 1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.706 -1.264 2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.286 -2.876 2.512 1.00 0.00 H new ATOM 354 N LEU A 26 5.980 -0.473 -1.819 1.00 0.00 N ATOM 355 CA LEU A 26 6.505 0.319 -2.915 1.00 0.00 C ATOM 356 C LEU A 26 5.346 0.963 -3.685 1.00 0.00 C ATOM 357 O LEU A 26 5.356 2.158 -3.968 1.00 0.00 O ATOM 358 CB LEU A 26 7.401 -0.557 -3.783 1.00 0.00 C ATOM 359 CG LEU A 26 8.503 0.225 -4.514 1.00 0.00 C ATOM 360 CD1 LEU A 26 8.000 0.927 -5.777 1.00 0.00 C ATOM 361 CD2 LEU A 26 9.332 1.184 -3.652 1.00 0.00 C ATOM 0 H LEU A 26 6.215 -1.464 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 26 7.124 1.137 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.863 -1.321 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.786 -1.075 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 26 9.196 -0.564 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.824 1.462 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.604 0.186 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.213 1.633 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.078 1.680 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.676 1.932 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.833 0.623 -2.863 1.00 0.00 H new ATOM 373 N ALA A 27 4.310 0.183 -3.993 1.00 0.00 N ATOM 374 CA ALA A 27 3.121 0.721 -4.637 1.00 0.00 C ATOM 375 C ALA A 27 2.435 1.779 -3.762 1.00 0.00 C ATOM 376 O ALA A 27 1.929 2.772 -4.273 1.00 0.00 O ATOM 377 CB ALA A 27 2.165 -0.413 -4.998 1.00 0.00 C ATOM 0 H ALA A 27 4.274 -0.819 -3.806 1.00 0.00 H new ATOM 0 HA ALA A 27 3.424 1.222 -5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.278 -0.002 -5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.661 -1.104 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.873 -0.945 -4.092 1.00 0.00 H new ATOM 383 N VAL A 28 2.414 1.598 -2.444 1.00 0.00 N ATOM 384 CA VAL A 28 1.837 2.549 -1.509 1.00 0.00 C ATOM 385 C VAL A 28 2.592 3.873 -1.595 1.00 0.00 C ATOM 386 O VAL A 28 1.949 4.905 -1.777 1.00 0.00 O ATOM 387 CB VAL A 28 1.764 1.980 -0.086 1.00 0.00 C ATOM 388 CG1 VAL A 28 1.619 3.086 0.959 1.00 0.00 C ATOM 389 CG2 VAL A 28 0.578 1.039 0.088 1.00 0.00 C ATOM 0 H VAL A 28 2.805 0.771 -1.992 1.00 0.00 H new ATOM 0 HA VAL A 28 0.801 2.743 -1.788 1.00 0.00 H new ATOM 0 HB VAL A 28 2.699 1.440 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.571 2.643 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.477 3.756 0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.706 3.649 0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.563 0.658 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.347 1.579 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.669 0.206 -0.609 1.00 0.00 H new ATOM 399 N LYS A 29 3.927 3.874 -1.491 1.00 0.00 N ATOM 400 CA LYS A 29 4.713 5.051 -1.814 1.00 0.00 C ATOM 401 C LYS A 29 4.280 5.619 -3.175 1.00 0.00 C ATOM 402 O LYS A 29 4.045 6.820 -3.311 1.00 0.00 O ATOM 403 CB LYS A 29 6.196 4.658 -1.860 1.00 0.00 C ATOM 404 CG LYS A 29 6.966 4.351 -0.562 1.00 0.00 C ATOM 405 CD LYS A 29 8.390 3.951 -0.980 1.00 0.00 C ATOM 406 CE LYS A 29 9.461 4.429 0.005 1.00 0.00 C ATOM 407 NZ LYS A 29 9.569 3.612 1.229 1.00 0.00 N ATOM 0 H LYS A 29 4.476 3.070 -1.186 1.00 0.00 H new ATOM 0 HA LYS A 29 4.556 5.816 -1.054 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.275 3.777 -2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.727 5.465 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.985 5.222 0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.485 3.546 -0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.445 2.866 -1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.602 4.363 -1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.427 4.434 -0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.244 5.459 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.228 4.066 1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.633 3.528 1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.922 2.665 0.984 1.00 0.00 H new ATOM 421 N GLY A 30 4.168 4.756 -4.183 1.00 0.00 N ATOM 422 CA GLY A 30 3.725 5.120 -5.521 1.00 0.00 C ATOM 423 C GLY A 30 2.358 5.803 -5.530 1.00 0.00 C ATOM 424 O GLY A 30 2.119 6.709 -6.329 1.00 0.00 O ATOM 0 H GLY A 30 4.388 3.765 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.461 5.785 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.682 4.224 -6.140 1.00 0.00 H new ATOM 428 N SER A 31 1.473 5.435 -4.614 1.00 0.00 N ATOM 429 CA SER A 31 0.108 5.925 -4.580 1.00 0.00 C ATOM 430 C SER A 31 0.107 7.273 -3.870 1.00 0.00 C ATOM 431 O SER A 31 -0.380 8.260 -4.423 1.00 0.00 O ATOM 432 CB SER A 31 -0.765 4.878 -3.873 1.00 0.00 C ATOM 433 OG SER A 31 -2.115 5.284 -3.743 1.00 0.00 O ATOM 0 H SER A 31 1.689 4.778 -3.864 1.00 0.00 H new ATOM 0 HA SER A 31 -0.303 6.074 -5.578 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.724 3.942 -4.430 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.354 4.678 -2.883 1.00 0.00 H new ATOM 0 HG SER A 31 -2.596 4.644 -3.178 1.00 0.00 H new ATOM 439 N CYS A 32 0.693 7.333 -2.673 1.00 0.00 N ATOM 440 CA CYS A 32 0.766 8.528 -1.840 1.00 0.00 C ATOM 441 C CYS A 32 2.196 8.585 -1.326 1.00 0.00 C ATOM 442 O CYS A 32 2.665 7.586 -0.782 1.00 0.00 O ATOM 443 CB CYS A 32 -0.197 8.407 -0.655 1.00 0.00 C ATOM 444 SG CYS A 32 -1.927 8.151 -1.124 1.00 0.00 S ATOM 0 H CYS A 32 1.143 6.524 -2.246 1.00 0.00 H new ATOM 0 HA CYS A 32 0.494 9.422 -2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.123 7.577 -0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.127 9.311 -0.051 1.00 0.00 H new ATOM 449 N PRO A 33 2.921 9.694 -1.512 1.00 0.00 N ATOM 450 CA PRO A 33 4.333 9.740 -1.186 1.00 0.00 C ATOM 451 C PRO A 33 4.536 9.669 0.332 1.00 0.00 C ATOM 452 O PRO A 33 3.650 10.055 1.095 1.00 0.00 O ATOM 453 CB PRO A 33 4.844 11.051 -1.790 1.00 0.00 C ATOM 454 CG PRO A 33 3.601 11.942 -1.841 1.00 0.00 C ATOM 455 CD PRO A 33 2.457 10.956 -2.058 1.00 0.00 C ATOM 0 HA PRO A 33 4.886 8.892 -1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.628 11.494 -1.177 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.265 10.896 -2.783 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.474 12.505 -0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.662 12.669 -2.651 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.550 11.291 -1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.217 10.861 -3.117 1.00 0.00 H new ATOM 463 N PRO A 34 5.699 9.195 0.797 1.00 0.00 N ATOM 464 CA PRO A 34 6.002 9.113 2.216 1.00 0.00 C ATOM 465 C PRO A 34 6.225 10.520 2.804 1.00 0.00 C ATOM 466 O PRO A 34 6.651 11.429 2.084 1.00 0.00 O ATOM 467 CB PRO A 34 7.274 8.257 2.289 1.00 0.00 C ATOM 468 CG PRO A 34 7.966 8.527 0.956 1.00 0.00 C ATOM 469 CD PRO A 34 6.798 8.697 -0.012 1.00 0.00 C ATOM 0 HA PRO A 34 5.190 8.676 2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.902 8.544 3.132 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.039 7.200 2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.588 9.421 0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.615 7.701 0.664 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.047 9.396 -0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.540 7.750 -0.487 1.00 0.00 H new ATOM 477 N PRO A 35 6.014 10.728 4.112 1.00 0.00 N ATOM 478 CA PRO A 35 5.439 9.784 5.053 1.00 0.00 C ATOM 479 C PRO A 35 3.913 9.792 4.940 1.00 0.00 C ATOM 480 O PRO A 35 3.298 10.844 4.793 1.00 0.00 O ATOM 481 CB PRO A 35 5.870 10.297 6.425 1.00 0.00 C ATOM 482 CG PRO A 35 5.904 11.815 6.233 1.00 0.00 C ATOM 483 CD PRO A 35 6.393 11.957 4.791 1.00 0.00 C ATOM 0 HA PRO A 35 5.768 8.761 4.871 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.166 10.005 7.204 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.845 9.905 6.714 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.921 12.264 6.374 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.579 12.298 6.940 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.940 12.824 4.310 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.473 12.103 4.759 1.00 0.00 H new ATOM 491 N TRP A 36 3.300 8.619 5.060 1.00 0.00 N ATOM 492 CA TRP A 36 1.855 8.467 5.068 1.00 0.00 C ATOM 493 C TRP A 36 1.361 8.956 6.422 1.00 0.00 C ATOM 494 O TRP A 36 1.499 8.244 7.421 1.00 0.00 O ATOM 495 CB TRP A 36 1.494 6.999 4.808 1.00 0.00 C ATOM 496 CG TRP A 36 2.165 6.451 3.590 1.00 0.00 C ATOM 497 CD1 TRP A 36 1.620 6.353 2.353 1.00 0.00 C ATOM 498 CD2 TRP A 36 3.532 5.962 3.457 1.00 0.00 C ATOM 499 NE1 TRP A 36 2.584 5.971 1.458 1.00 0.00 N ATOM 500 CE2 TRP A 36 3.747 5.634 2.100 1.00 0.00 C ATOM 501 CE3 TRP A 36 4.610 5.713 4.337 1.00 0.00 C ATOM 502 CZ2 TRP A 36 4.924 5.045 1.666 1.00 0.00 C ATOM 503 CZ3 TRP A 36 5.830 5.191 3.897 1.00 0.00 C ATOM 504 CH2 TRP A 36 5.984 4.831 2.555 1.00 0.00 C ATOM 0 H TRP A 36 3.803 7.737 5.156 1.00 0.00 H new ATOM 0 HA TRP A 36 1.377 9.051 4.282 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.775 6.400 5.674 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.414 6.908 4.695 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.585 6.546 2.110 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.453 5.941 0.447 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.487 5.934 5.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 5.024 4.748 0.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.649 5.067 4.590 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.909 4.393 2.209 1.00 0.00 H new ATOM 515 N SER A 37 0.881 10.190 6.469 1.00 0.00 N ATOM 516 CA SER A 37 0.416 10.875 7.656 1.00 0.00 C ATOM 517 C SER A 37 -0.817 11.667 7.233 1.00 0.00 C ATOM 518 O SER A 37 -0.748 12.133 6.077 1.00 0.00 O ATOM 519 CB SER A 37 1.525 11.806 8.159 1.00 0.00 C ATOM 520 OG SER A 37 2.765 11.108 8.182 1.00 0.00 O ATOM 521 OXT SER A 37 -1.904 11.257 7.699 1.00 0.00 O ATOM 0 H SER A 37 0.803 10.768 5.632 1.00 0.00 H new ATOM 0 HA SER A 37 0.167 10.188 8.465 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.601 12.680 7.512 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.283 12.169 9.158 1.00 0.00 H new ATOM 0 HG SER A 37 3.472 11.707 8.503 1.00 0.00 H new TER 527 SER A 37