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+ -124:sc= 0.138 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.49) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.0251 K(o=-0.025,f=-4.2!) USER MOD Single : A 21 THR OG1 : rot -19:sc= 1.11 USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 0.553 (180deg=0.551) USER MOD Single : A 31 SER OG : rot -78:sc= 0.0256 USER MOD Single : A 37 SER OG : rot 180:sc=-0.00485 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.339 -7.046 -5.404 1.00 0.00 N ATOM 2 CA ASP A 1 -6.935 -7.732 -4.165 1.00 0.00 C ATOM 3 C ASP A 1 -6.689 -6.703 -3.062 1.00 0.00 C ATOM 4 O ASP A 1 -6.775 -5.495 -3.292 1.00 0.00 O ATOM 5 CB ASP A 1 -5.718 -8.653 -4.354 1.00 0.00 C ATOM 6 CG ASP A 1 -4.450 -7.902 -4.690 1.00 0.00 C ATOM 7 OD1 ASP A 1 -4.464 -6.663 -4.566 1.00 0.00 O ATOM 8 OD2 ASP A 1 -3.501 -8.554 -5.171 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.253 -7.422 -5.727 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.429 -6.026 -5.223 1.00 0.00 H new ATOM 0 H3 ASP A 1 -6.621 -7.205 -6.139 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.756 -8.386 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -5.561 -9.229 -3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -5.931 -9.367 -5.149 1.00 0.00 H new ATOM 15 N ILE A 2 -6.364 -7.187 -1.868 1.00 0.00 N ATOM 16 CA ILE A 2 -6.050 -6.373 -0.706 1.00 0.00 C ATOM 17 C ILE A 2 -4.836 -5.480 -0.964 1.00 0.00 C ATOM 18 O ILE A 2 -4.739 -4.411 -0.384 1.00 0.00 O ATOM 19 CB ILE A 2 -5.832 -7.312 0.490 1.00 0.00 C ATOM 20 CG1 ILE A 2 -6.039 -6.786 1.904 1.00 0.00 C ATOM 21 CG2 ILE A 2 -4.495 -8.052 0.433 1.00 0.00 C ATOM 22 CD1 ILE A 2 -5.387 -5.460 2.222 1.00 0.00 C ATOM 0 H ILE A 2 -6.311 -8.188 -1.680 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.877 -5.698 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.677 -7.982 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.110 -6.693 2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.663 -7.530 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.400 -8.699 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.452 -8.656 -0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.679 -7.329 0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.603 -5.187 3.255 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.309 -5.543 2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.779 -4.693 1.555 1.00 0.00 H new ATOM 34 N CYS A 3 -3.900 -5.871 -1.830 1.00 0.00 N ATOM 35 CA CYS A 3 -2.820 -4.958 -2.193 1.00 0.00 C ATOM 36 C CYS A 3 -3.439 -3.682 -2.741 1.00 0.00 C ATOM 37 O CYS A 3 -3.123 -2.580 -2.301 1.00 0.00 O ATOM 38 CB CYS A 3 -1.886 -5.565 -3.247 1.00 0.00 C ATOM 39 SG CYS A 3 -0.249 -6.031 -2.688 1.00 0.00 S ATOM 0 H CYS A 3 -3.867 -6.786 -2.280 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.222 -4.756 -1.304 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.369 -6.449 -3.663 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.778 -4.848 -4.061 1.00 0.00 H new ATOM 44 N ASP A 4 -4.371 -3.840 -3.678 1.00 0.00 N ATOM 45 CA ASP A 4 -5.025 -2.702 -4.309 1.00 0.00 C ATOM 46 C ASP A 4 -5.875 -1.942 -3.294 1.00 0.00 C ATOM 47 O ASP A 4 -5.899 -0.717 -3.295 1.00 0.00 O ATOM 48 CB ASP A 4 -5.810 -3.169 -5.531 1.00 0.00 C ATOM 49 CG ASP A 4 -6.383 -2.037 -6.352 1.00 0.00 C ATOM 50 OD1 ASP A 4 -5.971 -0.871 -6.205 1.00 0.00 O ATOM 51 OD2 ASP A 4 -7.182 -2.340 -7.263 1.00 0.00 O ATOM 0 H ASP A 4 -4.689 -4.748 -4.016 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.277 -1.994 -4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.157 -3.771 -6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.623 -3.817 -5.204 1.00 0.00 H new ATOM 56 N ILE A 5 -6.526 -2.659 -2.376 1.00 0.00 N ATOM 57 CA ILE A 5 -7.200 -2.022 -1.242 1.00 0.00 C ATOM 58 C ILE A 5 -6.216 -1.127 -0.472 1.00 0.00 C ATOM 59 O ILE A 5 -6.465 0.052 -0.236 1.00 0.00 O ATOM 60 CB ILE A 5 -7.846 -3.059 -0.307 1.00 0.00 C ATOM 61 CG1 ILE A 5 -8.876 -3.905 -1.067 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.523 -2.389 0.890 1.00 0.00 C ATOM 63 CD1 ILE A 5 -9.680 -4.869 -0.191 1.00 0.00 C ATOM 0 H ILE A 5 -6.601 -3.676 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.003 -1.400 -1.637 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.048 -3.704 0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.568 -3.237 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.359 -4.479 -1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.969 -3.151 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.783 -1.826 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.301 -1.712 0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.383 -5.425 -0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.001 -5.565 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -10.229 -4.304 0.562 1.00 0.00 H new ATOM 75 N ALA A 6 -5.090 -1.689 -0.044 1.00 0.00 N ATOM 76 CA ALA A 6 -4.084 -0.996 0.739 1.00 0.00 C ATOM 77 C ALA A 6 -3.523 0.184 -0.043 1.00 0.00 C ATOM 78 O ALA A 6 -3.160 1.185 0.568 1.00 0.00 O ATOM 79 CB ALA A 6 -2.971 -1.969 1.128 1.00 0.00 C ATOM 0 H ALA A 6 -4.850 -2.661 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.543 -0.610 1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.218 -1.444 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.390 -2.783 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.510 -2.374 0.227 1.00 0.00 H new ATOM 85 N ILE A 7 -3.456 0.077 -1.371 1.00 0.00 N ATOM 86 CA ILE A 7 -3.081 1.171 -2.254 1.00 0.00 C ATOM 87 C ILE A 7 -4.166 2.247 -2.266 1.00 0.00 C ATOM 88 O ILE A 7 -3.851 3.424 -2.114 1.00 0.00 O ATOM 89 CB ILE A 7 -2.684 0.651 -3.644 1.00 0.00 C ATOM 90 CG1 ILE A 7 -1.393 -0.181 -3.522 1.00 0.00 C ATOM 91 CG2 ILE A 7 -2.443 1.813 -4.619 1.00 0.00 C ATOM 92 CD1 ILE A 7 -1.226 -1.144 -4.697 1.00 0.00 C ATOM 0 H ILE A 7 -3.665 -0.789 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.186 1.658 -1.868 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.498 0.037 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.533 0.487 -3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.411 -0.745 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.163 1.417 -5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.355 2.403 -4.714 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.640 2.445 -4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.304 -1.712 -4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.073 -1.829 -4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.182 -0.578 -5.628 1.00 0.00 H new ATOM 104 N ALA A 8 -5.440 1.872 -2.380 1.00 0.00 N ATOM 105 CA ALA A 8 -6.550 2.806 -2.260 1.00 0.00 C ATOM 106 C ALA A 8 -6.414 3.582 -0.953 1.00 0.00 C ATOM 107 O ALA A 8 -6.466 4.811 -0.937 1.00 0.00 O ATOM 108 CB ALA A 8 -7.893 2.064 -2.309 1.00 0.00 C ATOM 0 H ALA A 8 -5.728 0.910 -2.558 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.524 3.502 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.709 2.781 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.981 1.533 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.944 1.350 -1.487 1.00 0.00 H new ATOM 114 N GLN A 9 -6.175 2.851 0.131 1.00 0.00 N ATOM 115 CA GLN A 9 -5.985 3.383 1.471 1.00 0.00 C ATOM 116 C GLN A 9 -4.613 4.052 1.643 1.00 0.00 C ATOM 117 O GLN A 9 -4.375 4.695 2.663 1.00 0.00 O ATOM 118 CB GLN A 9 -6.151 2.220 2.461 1.00 0.00 C ATOM 119 CG GLN A 9 -7.623 1.777 2.575 1.00 0.00 C ATOM 120 CD GLN A 9 -8.018 1.407 4.004 1.00 0.00 C ATOM 121 OE1 GLN A 9 -7.628 2.071 4.964 1.00 0.00 O ATOM 122 NE2 GLN A 9 -8.786 0.347 4.192 1.00 0.00 N ATOM 0 H GLN A 9 -6.106 1.834 0.096 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.726 4.161 1.658 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.541 1.377 2.138 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.784 2.522 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.269 2.580 2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.792 0.921 1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.106 -0.199 3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.058 0.076 5.137 1.00 0.00 H new ATOM 131 N CYS A 10 -3.714 3.864 0.674 1.00 0.00 N ATOM 132 CA CYS A 10 -2.267 4.020 0.730 1.00 0.00 C ATOM 133 C CYS A 10 -1.770 3.920 2.168 1.00 0.00 C ATOM 134 O CYS A 10 -1.351 4.907 2.764 1.00 0.00 O ATOM 135 CB CYS A 10 -1.761 5.281 0.032 1.00 0.00 C ATOM 136 SG CYS A 10 -2.712 6.803 0.133 1.00 0.00 S ATOM 0 H CYS A 10 -4.014 3.571 -0.256 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.841 3.193 0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.767 5.493 0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.642 5.042 -1.025 1.00 0.00 H new ATOM 141 N SER A 11 -1.833 2.717 2.734 1.00 0.00 N ATOM 142 CA SER A 11 -1.425 2.411 4.101 1.00 0.00 C ATOM 143 C SER A 11 -0.426 1.256 4.099 1.00 0.00 C ATOM 144 O SER A 11 -0.762 0.122 3.759 1.00 0.00 O ATOM 145 CB SER A 11 -2.642 2.074 4.971 1.00 0.00 C ATOM 146 OG SER A 11 -2.222 1.669 6.270 1.00 0.00 O ATOM 0 H SER A 11 -2.182 1.899 2.234 1.00 0.00 H new ATOM 0 HA SER A 11 -0.944 3.291 4.527 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.296 2.943 5.047 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.223 1.278 4.504 1.00 0.00 H new ATOM 0 HG SER A 11 -3.007 1.458 6.817 1.00 0.00 H new ATOM 152 N LEU A 12 0.799 1.535 4.543 1.00 0.00 N ATOM 153 CA LEU A 12 1.852 0.537 4.655 1.00 0.00 C ATOM 154 C LEU A 12 1.502 -0.548 5.674 1.00 0.00 C ATOM 155 O LEU A 12 2.003 -1.668 5.593 1.00 0.00 O ATOM 156 CB LEU A 12 3.174 1.214 5.017 1.00 0.00 C ATOM 157 CG LEU A 12 3.644 2.208 3.942 1.00 0.00 C ATOM 158 CD1 LEU A 12 4.972 2.810 4.380 1.00 0.00 C ATOM 159 CD2 LEU A 12 3.890 1.557 2.581 1.00 0.00 C ATOM 0 H LEU A 12 1.087 2.469 4.836 1.00 0.00 H new ATOM 0 HA LEU A 12 1.955 0.046 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.062 1.738 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.940 0.452 5.162 1.00 0.00 H new ATOM 0 HG LEU A 12 2.850 2.947 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.317 3.517 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.841 3.328 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.710 2.017 4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.219 2.314 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.660 0.791 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.967 1.101 2.224 1.00 0.00 H new ATOM 171 N THR A 13 0.650 -0.241 6.646 1.00 0.00 N ATOM 172 CA THR A 13 0.239 -1.229 7.625 1.00 0.00 C ATOM 173 C THR A 13 -0.802 -2.177 7.045 1.00 0.00 C ATOM 174 O THR A 13 -0.680 -3.393 7.196 1.00 0.00 O ATOM 175 CB THR A 13 -0.245 -0.532 8.891 1.00 0.00 C ATOM 176 OG1 THR A 13 0.636 0.539 9.208 1.00 0.00 O ATOM 177 CG2 THR A 13 -0.281 -1.524 10.057 1.00 0.00 C ATOM 0 H THR A 13 0.234 0.682 6.773 1.00 0.00 H new ATOM 0 HA THR A 13 1.097 -1.846 7.894 1.00 0.00 H new ATOM 0 HB THR A 13 -1.250 -0.145 8.722 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.325 0.989 10.021 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.628 -1.016 10.957 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.960 -2.342 9.818 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.720 -1.921 10.228 1.00 0.00 H new ATOM 185 N LEU A 14 -1.819 -1.657 6.357 1.00 0.00 N ATOM 186 CA LEU A 14 -2.792 -2.511 5.728 1.00 0.00 C ATOM 187 C LEU A 14 -2.080 -3.347 4.660 1.00 0.00 C ATOM 188 O LEU A 14 -2.448 -4.486 4.398 1.00 0.00 O ATOM 189 CB LEU A 14 -3.901 -1.610 5.198 1.00 0.00 C ATOM 190 CG LEU A 14 -4.989 -2.358 4.466 1.00 0.00 C ATOM 191 CD1 LEU A 14 -5.581 -3.442 5.343 1.00 0.00 C ATOM 192 CD2 LEU A 14 -6.106 -1.392 4.093 1.00 0.00 C ATOM 0 H LEU A 14 -1.978 -0.658 6.229 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.254 -3.226 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.344 -1.065 6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.466 -0.869 4.527 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.550 -2.808 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.363 -3.967 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.800 -4.147 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.007 -2.992 6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.892 -1.931 3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.518 -0.945 4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.709 -0.607 3.449 1.00 0.00 H new ATOM 204 N CYS A 15 -0.988 -2.822 4.096 1.00 0.00 N ATOM 205 CA CYS A 15 -0.187 -3.580 3.145 1.00 0.00 C ATOM 206 C CYS A 15 0.345 -4.884 3.727 1.00 0.00 C ATOM 207 O CYS A 15 0.589 -5.816 2.967 1.00 0.00 O ATOM 208 CB CYS A 15 0.977 -2.753 2.600 1.00 0.00 C ATOM 209 SG CYS A 15 0.637 -1.895 1.063 1.00 0.00 S ATOM 0 H CYS A 15 -0.644 -1.880 4.284 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.863 -3.828 2.327 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.267 -2.020 3.353 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.833 -3.411 2.450 1.00 0.00 H new ATOM 214 N GLN A 16 0.530 -4.987 5.047 1.00 0.00 N ATOM 215 CA GLN A 16 0.971 -6.242 5.645 1.00 0.00 C ATOM 216 C GLN A 16 -0.036 -7.376 5.426 1.00 0.00 C ATOM 217 O GLN A 16 0.341 -8.545 5.532 1.00 0.00 O ATOM 218 CB GLN A 16 1.304 -6.073 7.128 1.00 0.00 C ATOM 219 CG GLN A 16 2.484 -5.126 7.366 1.00 0.00 C ATOM 220 CD GLN A 16 3.097 -5.407 8.731 1.00 0.00 C ATOM 221 OE1 GLN A 16 2.948 -4.639 9.678 1.00 0.00 O ATOM 222 NE2 GLN A 16 3.791 -6.528 8.861 1.00 0.00 N ATOM 0 H GLN A 16 0.383 -4.226 5.710 1.00 0.00 H new ATOM 0 HA GLN A 16 1.888 -6.528 5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.427 -5.693 7.652 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.534 -7.048 7.558 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.233 -5.259 6.585 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.149 -4.090 7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.904 -7.153 8.063 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.212 -6.766 9.759 1.00 0.00 H new ATOM 231 N ASP A 17 -1.284 -7.063 5.069 1.00 0.00 N ATOM 232 CA ASP A 17 -2.257 -8.093 4.742 1.00 0.00 C ATOM 233 C ASP A 17 -1.886 -8.663 3.380 1.00 0.00 C ATOM 234 O ASP A 17 -2.123 -9.840 3.120 1.00 0.00 O ATOM 235 CB ASP A 17 -3.662 -7.508 4.550 1.00 0.00 C ATOM 236 CG ASP A 17 -4.391 -7.090 5.804 1.00 0.00 C ATOM 237 OD1 ASP A 17 -3.787 -6.445 6.684 1.00 0.00 O ATOM 238 OD2 ASP A 17 -5.589 -7.440 5.905 1.00 0.00 O ATOM 0 H ASP A 17 -1.637 -6.109 5.001 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.254 -8.822 5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.584 -6.641 3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.272 -8.247 4.030 1.00 0.00 H new ATOM 243 N CYS A 18 -1.365 -7.826 2.483 1.00 0.00 N ATOM 244 CA CYS A 18 -1.146 -8.247 1.116 1.00 0.00 C ATOM 245 C CYS A 18 0.051 -9.186 1.060 1.00 0.00 C ATOM 246 O CYS A 18 1.131 -8.841 1.540 1.00 0.00 O ATOM 247 CB CYS A 18 -0.889 -7.073 0.175 1.00 0.00 C ATOM 248 SG CYS A 18 -0.608 -7.707 -1.491 1.00 0.00 S ATOM 0 H CYS A 18 -1.092 -6.864 2.683 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.056 -8.749 0.786 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.741 -6.393 0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.023 -6.503 0.512 1.00 0.00 H new ATOM 253 N GLU A 19 -0.164 -10.356 0.455 1.00 0.00 N ATOM 254 CA GLU A 19 0.804 -11.418 0.238 1.00 0.00 C ATOM 255 C GLU A 19 2.208 -10.853 -0.016 1.00 0.00 C ATOM 256 O GLU A 19 3.130 -11.080 0.767 1.00 0.00 O ATOM 257 CB GLU A 19 0.282 -12.268 -0.924 1.00 0.00 C ATOM 258 CG GLU A 19 0.906 -13.654 -1.122 1.00 0.00 C ATOM 259 CD GLU A 19 2.392 -13.631 -1.371 1.00 0.00 C ATOM 260 OE1 GLU A 19 2.799 -13.004 -2.369 1.00 0.00 O ATOM 261 OE2 GLU A 19 3.122 -14.272 -0.586 1.00 0.00 O ATOM 0 H GLU A 19 -1.082 -10.597 0.081 1.00 0.00 H new ATOM 0 HA GLU A 19 0.909 -12.041 1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.792 -12.398 -0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.422 -11.701 -1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.706 -14.260 -0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.415 -14.145 -1.963 1.00 0.00 H new ATOM 268 N ASN A 20 2.397 -10.125 -1.113 1.00 0.00 N ATOM 269 CA ASN A 20 3.684 -9.595 -1.506 1.00 0.00 C ATOM 270 C ASN A 20 3.849 -8.204 -0.905 1.00 0.00 C ATOM 271 O ASN A 20 4.042 -7.214 -1.610 1.00 0.00 O ATOM 272 CB ASN A 20 3.835 -9.647 -3.030 1.00 0.00 C ATOM 273 CG ASN A 20 2.772 -8.900 -3.820 1.00 0.00 C ATOM 274 OD1 ASN A 20 1.767 -8.463 -3.278 1.00 0.00 O ATOM 275 ND2 ASN A 20 2.963 -8.790 -5.126 1.00 0.00 N ATOM 0 H ASN A 20 1.644 -9.887 -1.759 1.00 0.00 H new ATOM 0 HA ASN A 20 4.498 -10.205 -1.115 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.811 -9.241 -3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.828 -10.691 -3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.262 -8.331 -5.707 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.812 -9.164 -5.551 1.00 0.00 H new ATOM 282 N THR A 21 3.828 -8.153 0.427 1.00 0.00 N ATOM 283 CA THR A 21 3.971 -6.951 1.230 1.00 0.00 C ATOM 284 C THR A 21 4.935 -5.894 0.666 1.00 0.00 C ATOM 285 O THR A 21 4.521 -4.752 0.544 1.00 0.00 O ATOM 286 CB THR A 21 4.265 -7.327 2.680 1.00 0.00 C ATOM 287 OG1 THR A 21 3.369 -8.342 3.107 1.00 0.00 O ATOM 288 CG2 THR A 21 4.167 -6.113 3.608 1.00 0.00 C ATOM 0 H THR A 21 3.705 -8.990 0.996 1.00 0.00 H new ATOM 0 HA THR A 21 3.011 -6.436 1.190 1.00 0.00 H new ATOM 0 HB THR A 21 5.288 -7.701 2.730 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.588 -8.360 2.515 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.383 -6.419 4.632 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.888 -5.357 3.296 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.161 -5.697 3.558 1.00 0.00 H new ATOM 296 N PRO A 22 6.199 -6.179 0.314 1.00 0.00 N ATOM 297 CA PRO A 22 7.074 -5.140 -0.219 1.00 0.00 C ATOM 298 C PRO A 22 6.591 -4.557 -1.545 1.00 0.00 C ATOM 299 O PRO A 22 6.804 -3.376 -1.794 1.00 0.00 O ATOM 300 CB PRO A 22 8.446 -5.794 -0.391 1.00 0.00 C ATOM 301 CG PRO A 22 8.125 -7.284 -0.467 1.00 0.00 C ATOM 302 CD PRO A 22 6.918 -7.431 0.454 1.00 0.00 C ATOM 0 HA PRO A 22 7.095 -4.294 0.468 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.946 -5.445 -1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.106 -5.568 0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.893 -7.594 -1.486 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.964 -7.894 -0.131 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.298 -8.279 0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.225 -7.599 1.486 1.00 0.00 H new ATOM 310 N ILE A 23 5.957 -5.344 -2.413 1.00 0.00 N ATOM 311 CA ILE A 23 5.382 -4.780 -3.626 1.00 0.00 C ATOM 312 C ILE A 23 4.265 -3.825 -3.227 1.00 0.00 C ATOM 313 O ILE A 23 4.132 -2.728 -3.765 1.00 0.00 O ATOM 314 CB ILE A 23 4.896 -5.859 -4.580 1.00 0.00 C ATOM 315 CG1 ILE A 23 6.072 -6.775 -4.932 1.00 0.00 C ATOM 316 CG2 ILE A 23 4.265 -5.245 -5.839 1.00 0.00 C ATOM 317 CD1 ILE A 23 7.289 -6.108 -5.575 1.00 0.00 C ATOM 0 H ILE A 23 5.832 -6.350 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 23 6.150 -4.232 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 23 4.117 -6.447 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.399 -7.275 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.710 -7.549 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.927 -6.041 -6.502 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.415 -4.625 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.005 -4.633 -6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.052 -6.860 -5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.992 -5.633 -6.510 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.691 -5.355 -4.898 1.00 0.00 H new ATOM 329 N CYS A 24 3.472 -4.251 -2.249 1.00 0.00 N ATOM 330 CA CYS A 24 2.403 -3.430 -1.715 1.00 0.00 C ATOM 331 C CYS A 24 2.964 -2.109 -1.200 1.00 0.00 C ATOM 332 O CYS A 24 2.514 -1.038 -1.598 1.00 0.00 O ATOM 333 CB CYS A 24 1.670 -4.186 -0.614 1.00 0.00 C ATOM 334 SG CYS A 24 0.093 -3.431 -0.221 1.00 0.00 S ATOM 0 H CYS A 24 3.555 -5.168 -1.811 1.00 0.00 H new ATOM 0 HA CYS A 24 1.689 -3.205 -2.507 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.511 -5.218 -0.926 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.291 -4.216 0.281 1.00 0.00 H new ATOM 339 N GLU A 25 3.986 -2.187 -0.346 1.00 0.00 N ATOM 340 CA GLU A 25 4.711 -1.051 0.184 1.00 0.00 C ATOM 341 C GLU A 25 5.176 -0.147 -0.951 1.00 0.00 C ATOM 342 O GLU A 25 4.978 1.063 -0.908 1.00 0.00 O ATOM 343 CB GLU A 25 5.919 -1.564 0.977 1.00 0.00 C ATOM 344 CG GLU A 25 5.612 -1.923 2.439 1.00 0.00 C ATOM 345 CD GLU A 25 6.728 -1.467 3.357 1.00 0.00 C ATOM 346 OE1 GLU A 25 7.908 -1.620 2.984 1.00 0.00 O ATOM 347 OE2 GLU A 25 6.446 -0.967 4.463 1.00 0.00 O ATOM 0 H GLU A 25 4.337 -3.079 0.003 1.00 0.00 H new ATOM 0 HA GLU A 25 4.059 -0.472 0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.320 -2.445 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.700 -0.804 0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.674 -1.457 2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.478 -3.001 2.532 1.00 0.00 H new ATOM 354 N LEU A 26 5.823 -0.730 -1.950 1.00 0.00 N ATOM 355 CA LEU A 26 6.364 -0.023 -3.092 1.00 0.00 C ATOM 356 C LEU A 26 5.269 0.783 -3.780 1.00 0.00 C ATOM 357 O LEU A 26 5.400 1.999 -3.954 1.00 0.00 O ATOM 358 CB LEU A 26 7.047 -1.048 -3.993 1.00 0.00 C ATOM 359 CG LEU A 26 7.805 -0.469 -5.185 1.00 0.00 C ATOM 360 CD1 LEU A 26 6.946 -0.408 -6.451 1.00 0.00 C ATOM 361 CD2 LEU A 26 8.493 0.864 -4.924 1.00 0.00 C ATOM 0 H LEU A 26 5.988 -1.736 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 26 7.114 0.711 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.743 -1.631 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.292 -1.740 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 26 8.612 -1.183 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.532 0.011 -7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.619 -1.413 -6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.075 0.221 -6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.004 1.193 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.749 1.607 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.219 0.747 -4.119 1.00 0.00 H new ATOM 373 N ALA A 27 4.178 0.116 -4.145 1.00 0.00 N ATOM 374 CA ALA A 27 3.044 0.740 -4.797 1.00 0.00 C ATOM 375 C ALA A 27 2.453 1.842 -3.916 1.00 0.00 C ATOM 376 O ALA A 27 2.179 2.938 -4.407 1.00 0.00 O ATOM 377 CB ALA A 27 2.008 -0.327 -5.138 1.00 0.00 C ATOM 0 H ALA A 27 4.061 -0.886 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 27 3.371 1.213 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.154 0.139 -5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.452 -1.065 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.677 -0.819 -4.223 1.00 0.00 H new ATOM 383 N VAL A 28 2.267 1.582 -2.622 1.00 0.00 N ATOM 384 CA VAL A 28 1.779 2.572 -1.674 1.00 0.00 C ATOM 385 C VAL A 28 2.698 3.790 -1.661 1.00 0.00 C ATOM 386 O VAL A 28 2.219 4.917 -1.781 1.00 0.00 O ATOM 387 CB VAL A 28 1.599 1.968 -0.277 1.00 0.00 C ATOM 388 CG1 VAL A 28 1.449 3.043 0.810 1.00 0.00 C ATOM 389 CG2 VAL A 28 0.349 1.089 -0.247 1.00 0.00 C ATOM 0 H VAL A 28 2.453 0.671 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 28 0.792 2.904 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 28 2.496 1.385 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.324 2.564 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.340 3.670 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.576 3.659 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.228 0.663 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.525 1.691 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.452 0.285 -0.975 1.00 0.00 H new ATOM 399 N LYS A 29 4.012 3.590 -1.542 1.00 0.00 N ATOM 400 CA LYS A 29 4.947 4.688 -1.556 1.00 0.00 C ATOM 401 C LYS A 29 4.863 5.404 -2.906 1.00 0.00 C ATOM 402 O LYS A 29 5.035 6.617 -2.980 1.00 0.00 O ATOM 403 CB LYS A 29 6.349 4.137 -1.259 1.00 0.00 C ATOM 404 CG LYS A 29 6.494 3.719 0.211 1.00 0.00 C ATOM 405 CD LYS A 29 7.823 3.003 0.488 1.00 0.00 C ATOM 406 CE LYS A 29 8.040 2.697 1.979 1.00 0.00 C ATOM 407 NZ LYS A 29 8.325 3.901 2.790 1.00 0.00 N ATOM 0 H LYS A 29 4.442 2.671 -1.435 1.00 0.00 H new ATOM 0 HA LYS A 29 4.710 5.425 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.547 3.280 -1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.096 4.894 -1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.421 4.602 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.667 3.062 0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.852 2.071 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.645 3.621 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.152 2.204 2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.867 1.995 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.444 3.628 3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.198 4.352 2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.534 4.571 2.707 1.00 0.00 H new ATOM 421 N GLY A 30 4.601 4.670 -3.987 1.00 0.00 N ATOM 422 CA GLY A 30 4.375 5.240 -5.305 1.00 0.00 C ATOM 423 C GLY A 30 3.098 6.082 -5.332 1.00 0.00 C ATOM 424 O GLY A 30 3.018 7.067 -6.069 1.00 0.00 O ATOM 0 H GLY A 30 4.540 3.652 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.227 5.858 -5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.302 4.440 -6.042 1.00 0.00 H new ATOM 428 N SER A 31 2.102 5.702 -4.534 1.00 0.00 N ATOM 429 CA SER A 31 0.752 6.231 -4.593 1.00 0.00 C ATOM 430 C SER A 31 0.691 7.532 -3.801 1.00 0.00 C ATOM 431 O SER A 31 0.229 8.543 -4.323 1.00 0.00 O ATOM 432 CB SER A 31 -0.219 5.182 -4.026 1.00 0.00 C ATOM 433 OG SER A 31 -1.563 5.606 -4.095 1.00 0.00 O ATOM 0 H SER A 31 2.222 4.995 -3.808 1.00 0.00 H new ATOM 0 HA SER A 31 0.465 6.445 -5.623 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.106 4.249 -4.578 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.041 4.972 -2.988 1.00 0.00 H new ATOM 0 HG SER A 31 -1.743 6.243 -3.372 1.00 0.00 H new ATOM 439 N CYS A 32 1.155 7.520 -2.552 1.00 0.00 N ATOM 440 CA CYS A 32 0.980 8.632 -1.618 1.00 0.00 C ATOM 441 C CYS A 32 2.319 8.888 -0.941 1.00 0.00 C ATOM 442 O CYS A 32 3.089 7.939 -0.773 1.00 0.00 O ATOM 443 CB CYS A 32 -0.091 8.272 -0.583 1.00 0.00 C ATOM 444 SG CYS A 32 -1.732 7.983 -1.289 1.00 0.00 S ATOM 0 H CYS A 32 1.667 6.732 -2.156 1.00 0.00 H new ATOM 0 HA CYS A 32 0.654 9.531 -2.141 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.224 7.378 -0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.159 9.077 0.149 1.00 0.00 H new ATOM 449 N PRO A 33 2.639 10.136 -0.575 1.00 0.00 N ATOM 450 CA PRO A 33 3.895 10.464 0.076 1.00 0.00 C ATOM 451 C PRO A 33 3.817 10.143 1.571 1.00 0.00 C ATOM 452 O PRO A 33 2.720 10.004 2.114 1.00 0.00 O ATOM 453 CB PRO A 33 4.071 11.963 -0.166 1.00 0.00 C ATOM 454 CG PRO A 33 2.637 12.485 -0.199 1.00 0.00 C ATOM 455 CD PRO A 33 1.837 11.329 -0.795 1.00 0.00 C ATOM 0 HA PRO A 33 4.737 9.891 -0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.652 12.433 0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.593 12.161 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.283 12.743 0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.554 13.385 -0.809 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.863 11.239 -0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.655 11.487 -1.858 1.00 0.00 H new ATOM 463 N PRO A 34 4.962 10.058 2.265 1.00 0.00 N ATOM 464 CA PRO A 34 4.975 9.919 3.709 1.00 0.00 C ATOM 465 C PRO A 34 4.528 11.236 4.363 1.00 0.00 C ATOM 466 O PRO A 34 4.774 12.310 3.800 1.00 0.00 O ATOM 467 CB PRO A 34 6.439 9.641 4.078 1.00 0.00 C ATOM 468 CG PRO A 34 7.231 10.277 2.937 1.00 0.00 C ATOM 469 CD PRO A 34 6.310 10.125 1.727 1.00 0.00 C ATOM 0 HA PRO A 34 4.305 9.128 4.047 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.700 10.082 5.040 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.636 8.572 4.154 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.455 11.324 3.140 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.184 9.771 2.781 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.418 10.968 1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.551 9.225 1.162 1.00 0.00 H new ATOM 477 N PRO A 35 3.962 11.192 5.578 1.00 0.00 N ATOM 478 CA PRO A 35 3.618 9.980 6.302 1.00 0.00 C ATOM 479 C PRO A 35 2.320 9.402 5.735 1.00 0.00 C ATOM 480 O PRO A 35 1.444 10.144 5.294 1.00 0.00 O ATOM 481 CB PRO A 35 3.435 10.433 7.750 1.00 0.00 C ATOM 482 CG PRO A 35 2.892 11.854 7.602 1.00 0.00 C ATOM 483 CD PRO A 35 3.628 12.369 6.364 1.00 0.00 C ATOM 0 HA PRO A 35 4.376 9.200 6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.739 9.790 8.289 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.376 10.416 8.300 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.811 11.862 7.463 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.104 12.462 8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.000 13.054 5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.526 12.919 6.645 1.00 0.00 H new ATOM 491 N TRP A 36 2.184 8.079 5.749 1.00 0.00 N ATOM 492 CA TRP A 36 0.926 7.435 5.414 1.00 0.00 C ATOM 493 C TRP A 36 0.089 7.477 6.690 1.00 0.00 C ATOM 494 O TRP A 36 0.118 6.535 7.484 1.00 0.00 O ATOM 495 CB TRP A 36 1.199 6.030 4.857 1.00 0.00 C ATOM 496 CG TRP A 36 2.046 6.064 3.620 1.00 0.00 C ATOM 497 CD1 TRP A 36 1.585 6.219 2.360 1.00 0.00 C ATOM 498 CD2 TRP A 36 3.500 6.140 3.516 1.00 0.00 C ATOM 499 NE1 TRP A 36 2.638 6.419 1.496 1.00 0.00 N ATOM 500 CE2 TRP A 36 3.837 6.423 2.161 1.00 0.00 C ATOM 501 CE3 TRP A 36 4.566 6.047 4.433 1.00 0.00 C ATOM 502 CZ2 TRP A 36 5.153 6.656 1.746 1.00 0.00 C ATOM 503 CZ3 TRP A 36 5.900 6.179 4.007 1.00 0.00 C ATOM 504 CH2 TRP A 36 6.191 6.524 2.674 1.00 0.00 C ATOM 0 H TRP A 36 2.936 7.433 5.990 1.00 0.00 H new ATOM 0 HA TRP A 36 0.368 7.935 4.622 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.696 5.430 5.619 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.252 5.540 4.633 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.544 6.190 2.073 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.539 6.548 0.489 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.356 5.872 5.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 5.364 6.934 0.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.706 6.015 4.707 1.00 0.00 H new ATOM 0 HH2 TRP A 36 7.214 6.687 2.368 1.00 0.00 H new ATOM 515 N SER A 37 -0.545 8.624 6.919 1.00 0.00 N ATOM 516 CA SER A 37 -1.329 8.956 8.095 1.00 0.00 C ATOM 517 C SER A 37 -2.495 9.838 7.641 1.00 0.00 C ATOM 518 O SER A 37 -2.810 9.810 6.433 1.00 0.00 O ATOM 519 CB SER A 37 -0.433 9.686 9.104 1.00 0.00 C ATOM 520 OG SER A 37 0.674 8.876 9.477 1.00 0.00 O ATOM 521 OXT SER A 37 -2.913 10.731 8.404 1.00 0.00 O ATOM 0 H SER A 37 -0.521 9.389 6.245 1.00 0.00 H new ATOM 0 HA SER A 37 -1.722 8.063 8.582 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.076 10.620 8.670 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.013 9.947 9.989 1.00 0.00 H new ATOM 0 HG SER A 37 1.233 9.361 10.119 1.00 0.00 H new TER 527 SER A 37