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+ -113:sc= 0.0538 (180deg=0.0407) USER MOD Single : A 9 GLN : amide:sc= -0.409 K(o=-0.41,f=-4.2!) USER MOD Single : A 11 SER OG : rot -171:sc= 0.468 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.419 K(o=-0.42,f=-2.7) USER MOD Single : A 20 ASN : amide:sc= 0.48 K(o=0.48,f=-0.52) USER MOD Single : A 21 THR OG1 : rot 92:sc= 0.0076 USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 1.08 (180deg=1.08) USER MOD Single : A 31 SER OG : rot -171:sc= 0.305 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.546 -6.947 -4.669 1.00 0.00 N ATOM 2 CA ASP A 1 -7.736 -7.579 -3.625 1.00 0.00 C ATOM 3 C ASP A 1 -7.216 -6.558 -2.630 1.00 0.00 C ATOM 4 O ASP A 1 -7.180 -5.358 -2.891 1.00 0.00 O ATOM 5 CB ASP A 1 -6.579 -8.398 -4.197 1.00 0.00 C ATOM 6 CG ASP A 1 -5.436 -7.543 -4.687 1.00 0.00 C ATOM 7 OD1 ASP A 1 -5.683 -6.389 -5.094 1.00 0.00 O ATOM 8 OD2 ASP A 1 -4.298 -8.047 -4.666 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.535 -7.254 -4.575 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.494 -5.913 -4.571 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.185 -7.225 -5.604 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.399 -8.268 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -6.212 -9.082 -3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -6.947 -9.010 -5.021 1.00 0.00 H new ATOM 15 N ILE A 2 -6.796 -7.065 -1.477 1.00 0.00 N ATOM 16 CA ILE A 2 -6.350 -6.277 -0.343 1.00 0.00 C ATOM 17 C ILE A 2 -5.126 -5.450 -0.724 1.00 0.00 C ATOM 18 O ILE A 2 -4.947 -4.355 -0.211 1.00 0.00 O ATOM 19 CB ILE A 2 -6.102 -7.245 0.822 1.00 0.00 C ATOM 20 CG1 ILE A 2 -6.129 -6.722 2.246 1.00 0.00 C ATOM 21 CG2 ILE A 2 -4.824 -8.064 0.676 1.00 0.00 C ATOM 22 CD1 ILE A 2 -5.361 -5.439 2.464 1.00 0.00 C ATOM 0 H ILE A 2 -6.757 -8.069 -1.304 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.103 -5.553 -0.031 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.004 -7.845 0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.166 -6.563 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.724 -7.488 2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.715 -8.725 1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.876 -8.660 -0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.966 -7.394 0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.437 -5.143 3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.313 -5.594 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.778 -4.654 1.833 1.00 0.00 H new ATOM 34 N CYS A 3 -4.287 -5.911 -1.652 1.00 0.00 N ATOM 35 CA CYS A 3 -3.215 -5.047 -2.133 1.00 0.00 C ATOM 36 C CYS A 3 -3.813 -3.759 -2.679 1.00 0.00 C ATOM 37 O CYS A 3 -3.393 -2.667 -2.303 1.00 0.00 O ATOM 38 CB CYS A 3 -2.366 -5.727 -3.214 1.00 0.00 C ATOM 39 SG CYS A 3 -0.623 -5.872 -2.800 1.00 0.00 S ATOM 0 H CYS A 3 -4.325 -6.840 -2.071 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.557 -4.830 -1.292 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.767 -6.723 -3.402 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.462 -5.164 -4.143 1.00 0.00 H new ATOM 44 N ASP A 4 -4.820 -3.870 -3.547 1.00 0.00 N ATOM 45 CA ASP A 4 -5.404 -2.681 -4.144 1.00 0.00 C ATOM 46 C ASP A 4 -6.143 -1.865 -3.089 1.00 0.00 C ATOM 47 O ASP A 4 -6.175 -0.638 -3.171 1.00 0.00 O ATOM 48 CB ASP A 4 -6.311 -3.021 -5.325 1.00 0.00 C ATOM 49 CG ASP A 4 -6.567 -1.780 -6.152 1.00 0.00 C ATOM 50 OD1 ASP A 4 -5.611 -1.313 -6.814 1.00 0.00 O ATOM 51 OD2 ASP A 4 -7.696 -1.254 -6.097 1.00 0.00 O ATOM 0 H ASP A 4 -5.237 -4.753 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.591 -2.073 -4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.846 -3.790 -5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.255 -3.429 -4.964 1.00 0.00 H new ATOM 56 N ILE A 5 -6.731 -2.526 -2.089 1.00 0.00 N ATOM 57 CA ILE A 5 -7.271 -1.841 -0.919 1.00 0.00 C ATOM 58 C ILE A 5 -6.163 -0.991 -0.295 1.00 0.00 C ATOM 59 O ILE A 5 -6.251 0.228 -0.289 1.00 0.00 O ATOM 60 CB ILE A 5 -7.879 -2.819 0.100 1.00 0.00 C ATOM 61 CG1 ILE A 5 -8.999 -3.641 -0.544 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.432 -2.077 1.318 1.00 0.00 C ATOM 63 CD1 ILE A 5 -9.679 -4.595 0.438 1.00 0.00 C ATOM 0 H ILE A 5 -6.844 -3.540 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.091 -1.196 -1.235 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.082 -3.487 0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.745 -2.965 -0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.589 -4.215 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.855 -2.795 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.627 -1.525 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.208 -1.381 0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.463 -5.149 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -8.943 -5.293 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -10.117 -4.024 1.257 1.00 0.00 H new ATOM 75 N ALA A 6 -5.104 -1.613 0.215 1.00 0.00 N ATOM 76 CA ALA A 6 -3.994 -0.947 0.880 1.00 0.00 C ATOM 77 C ALA A 6 -3.439 0.191 0.028 1.00 0.00 C ATOM 78 O ALA A 6 -3.079 1.232 0.565 1.00 0.00 O ATOM 79 CB ALA A 6 -2.900 -1.980 1.167 1.00 0.00 C ATOM 0 H ALA A 6 -4.994 -2.626 0.174 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.349 -0.511 1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.062 -1.493 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.300 -2.764 1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.559 -2.419 0.229 1.00 0.00 H new ATOM 85 N ILE A 7 -3.372 0.014 -1.289 1.00 0.00 N ATOM 86 CA ILE A 7 -2.859 1.021 -2.210 1.00 0.00 C ATOM 87 C ILE A 7 -3.883 2.144 -2.430 1.00 0.00 C ATOM 88 O ILE A 7 -3.499 3.295 -2.649 1.00 0.00 O ATOM 89 CB ILE A 7 -2.374 0.334 -3.495 1.00 0.00 C ATOM 90 CG1 ILE A 7 -1.210 -0.612 -3.142 1.00 0.00 C ATOM 91 CG2 ILE A 7 -1.862 1.338 -4.537 1.00 0.00 C ATOM 92 CD1 ILE A 7 -1.026 -1.690 -4.205 1.00 0.00 C ATOM 0 H ILE A 7 -3.676 -0.843 -1.751 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.992 1.523 -1.780 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.223 -0.201 -3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.289 -0.037 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.400 -1.080 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.531 0.802 -5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.664 2.025 -4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.027 1.901 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.197 -2.340 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.939 -2.281 -4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.811 -1.221 -5.165 1.00 0.00 H new ATOM 104 N ALA A 8 -5.182 1.850 -2.343 1.00 0.00 N ATOM 105 CA ALA A 8 -6.240 2.860 -2.340 1.00 0.00 C ATOM 106 C ALA A 8 -6.180 3.666 -1.040 1.00 0.00 C ATOM 107 O ALA A 8 -6.297 4.891 -1.030 1.00 0.00 O ATOM 108 CB ALA A 8 -7.604 2.182 -2.513 1.00 0.00 C ATOM 0 H ALA A 8 -5.531 0.894 -2.272 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.096 3.548 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.389 2.938 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.624 1.641 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.770 1.484 -1.693 1.00 0.00 H new ATOM 114 N GLN A 9 -5.965 2.964 0.067 1.00 0.00 N ATOM 115 CA GLN A 9 -5.799 3.504 1.407 1.00 0.00 C ATOM 116 C GLN A 9 -4.424 4.165 1.570 1.00 0.00 C ATOM 117 O GLN A 9 -4.185 4.856 2.555 1.00 0.00 O ATOM 118 CB GLN A 9 -5.972 2.333 2.393 1.00 0.00 C ATOM 119 CG GLN A 9 -7.360 1.663 2.357 1.00 0.00 C ATOM 120 CD GLN A 9 -8.509 2.514 2.883 1.00 0.00 C ATOM 121 OE1 GLN A 9 -8.569 3.720 2.670 1.00 0.00 O ATOM 122 NE2 GLN A 9 -9.454 1.907 3.581 1.00 0.00 N ATOM 0 H GLN A 9 -5.899 1.946 0.050 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.540 4.279 1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.214 1.580 2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.784 2.696 3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.581 1.379 1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.316 0.742 2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.396 0.903 3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.241 2.442 3.947 1.00 0.00 H new ATOM 131 N CYS A 10 -3.531 3.915 0.611 1.00 0.00 N ATOM 132 CA CYS A 10 -2.089 4.085 0.648 1.00 0.00 C ATOM 133 C CYS A 10 -1.610 3.933 2.095 1.00 0.00 C ATOM 134 O CYS A 10 -1.166 4.895 2.716 1.00 0.00 O ATOM 135 CB CYS A 10 -1.606 5.397 0.030 1.00 0.00 C ATOM 136 SG CYS A 10 -2.525 6.937 0.218 1.00 0.00 S ATOM 0 H CYS A 10 -3.834 3.555 -0.294 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.648 3.307 0.024 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.605 5.579 0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.503 5.221 -1.041 1.00 0.00 H new ATOM 141 N SER A 11 -1.730 2.709 2.616 1.00 0.00 N ATOM 142 CA SER A 11 -1.455 2.319 3.994 1.00 0.00 C ATOM 143 C SER A 11 -0.373 1.244 3.997 1.00 0.00 C ATOM 144 O SER A 11 -0.597 0.131 3.519 1.00 0.00 O ATOM 145 CB SER A 11 -2.733 1.766 4.639 1.00 0.00 C ATOM 146 OG SER A 11 -2.481 1.240 5.936 1.00 0.00 O ATOM 0 H SER A 11 -2.041 1.919 2.050 1.00 0.00 H new ATOM 0 HA SER A 11 -1.116 3.186 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.479 2.558 4.706 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.153 0.985 4.005 1.00 0.00 H new ATOM 0 HG SER A 11 -3.278 0.771 6.259 1.00 0.00 H new ATOM 152 N LEU A 12 0.797 1.551 4.557 1.00 0.00 N ATOM 153 CA LEU A 12 1.841 0.553 4.732 1.00 0.00 C ATOM 154 C LEU A 12 1.446 -0.493 5.773 1.00 0.00 C ATOM 155 O LEU A 12 1.917 -1.627 5.691 1.00 0.00 O ATOM 156 CB LEU A 12 3.176 1.209 5.080 1.00 0.00 C ATOM 157 CG LEU A 12 3.707 2.148 3.986 1.00 0.00 C ATOM 158 CD1 LEU A 12 5.055 2.689 4.444 1.00 0.00 C ATOM 159 CD2 LEU A 12 3.948 1.468 2.639 1.00 0.00 C ATOM 0 H LEU A 12 1.041 2.482 4.895 1.00 0.00 H new ATOM 0 HA LEU A 12 1.964 0.034 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.063 1.772 6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.915 0.430 5.268 1.00 0.00 H new ATOM 0 HG LEU A 12 2.945 2.914 3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.455 3.360 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.929 3.234 5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.747 1.861 4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.322 2.200 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.682 0.671 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.012 1.047 2.272 1.00 0.00 H new ATOM 171 N THR A 13 0.600 -0.146 6.745 1.00 0.00 N ATOM 172 CA THR A 13 0.066 -1.148 7.654 1.00 0.00 C ATOM 173 C THR A 13 -0.790 -2.149 6.901 1.00 0.00 C ATOM 174 O THR A 13 -0.476 -3.334 6.902 1.00 0.00 O ATOM 175 CB THR A 13 -0.699 -0.507 8.816 1.00 0.00 C ATOM 176 OG1 THR A 13 0.200 0.299 9.544 1.00 0.00 O ATOM 177 CG2 THR A 13 -1.275 -1.556 9.771 1.00 0.00 C ATOM 0 H THR A 13 0.277 0.806 6.917 1.00 0.00 H new ATOM 0 HA THR A 13 0.906 -1.688 8.091 1.00 0.00 H new ATOM 0 HB THR A 13 -1.525 0.071 8.402 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.271 0.721 10.293 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.809 -1.057 10.580 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.962 -2.204 9.228 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.464 -2.154 10.186 1.00 0.00 H new ATOM 185 N LEU A 14 -1.860 -1.706 6.245 1.00 0.00 N ATOM 186 CA LEU A 14 -2.797 -2.629 5.663 1.00 0.00 C ATOM 187 C LEU A 14 -2.125 -3.427 4.535 1.00 0.00 C ATOM 188 O LEU A 14 -2.593 -4.498 4.158 1.00 0.00 O ATOM 189 CB LEU A 14 -4.009 -1.801 5.251 1.00 0.00 C ATOM 190 CG LEU A 14 -5.113 -2.614 4.631 1.00 0.00 C ATOM 191 CD1 LEU A 14 -5.586 -3.703 5.575 1.00 0.00 C ATOM 192 CD2 LEU A 14 -6.286 -1.699 4.307 1.00 0.00 C ATOM 0 H LEU A 14 -2.088 -0.721 6.110 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.137 -3.398 6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.399 -1.283 6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.692 -1.035 4.543 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.728 -3.081 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.384 -4.274 5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.754 -4.367 5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.960 -3.251 6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.089 -2.283 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.646 -1.231 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.963 -0.927 3.608 1.00 0.00 H new ATOM 204 N CYS A 15 -0.984 -2.949 4.019 1.00 0.00 N ATOM 205 CA CYS A 15 -0.209 -3.721 3.055 1.00 0.00 C ATOM 206 C CYS A 15 0.182 -5.085 3.604 1.00 0.00 C ATOM 207 O CYS A 15 0.357 -6.020 2.827 1.00 0.00 O ATOM 208 CB CYS A 15 1.063 -2.992 2.612 1.00 0.00 C ATOM 209 SG CYS A 15 0.904 -2.073 1.080 1.00 0.00 S ATOM 0 H CYS A 15 -0.586 -2.040 4.254 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.863 -3.849 2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.366 -2.305 3.402 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.864 -3.723 2.500 1.00 0.00 H new ATOM 214 N GLN A 16 0.362 -5.206 4.920 1.00 0.00 N ATOM 215 CA GLN A 16 0.712 -6.452 5.586 1.00 0.00 C ATOM 216 C GLN A 16 -0.177 -7.616 5.134 1.00 0.00 C ATOM 217 O GLN A 16 0.326 -8.711 4.893 1.00 0.00 O ATOM 218 CB GLN A 16 0.637 -6.239 7.100 1.00 0.00 C ATOM 219 CG GLN A 16 1.751 -5.317 7.608 1.00 0.00 C ATOM 220 CD GLN A 16 3.040 -6.098 7.814 1.00 0.00 C ATOM 221 OE1 GLN A 16 3.820 -6.326 6.894 1.00 0.00 O ATOM 222 NE2 GLN A 16 3.297 -6.564 9.022 1.00 0.00 N ATOM 0 H GLN A 16 0.265 -4.420 5.563 1.00 0.00 H new ATOM 0 HA GLN A 16 1.729 -6.728 5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.332 -5.812 7.358 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.706 -7.202 7.605 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.918 -4.511 6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.447 -4.853 8.546 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.651 -6.377 9.789 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.141 -7.111 9.188 1.00 0.00 H new ATOM 231 N ASP A 17 -1.476 -7.381 4.939 1.00 0.00 N ATOM 232 CA ASP A 17 -2.386 -8.461 4.570 1.00 0.00 C ATOM 233 C ASP A 17 -2.189 -8.884 3.118 1.00 0.00 C ATOM 234 O ASP A 17 -2.620 -9.973 2.735 1.00 0.00 O ATOM 235 CB ASP A 17 -3.842 -8.030 4.743 1.00 0.00 C ATOM 236 CG ASP A 17 -4.301 -8.123 6.179 1.00 0.00 C ATOM 237 OD1 ASP A 17 -3.805 -7.356 7.027 1.00 0.00 O ATOM 238 OD2 ASP A 17 -5.159 -8.985 6.454 1.00 0.00 O ATOM 0 H ASP A 17 -1.915 -6.465 5.029 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.161 -9.299 5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.959 -7.005 4.392 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.480 -8.655 4.119 1.00 0.00 H new ATOM 243 N CYS A 18 -1.555 -8.062 2.284 1.00 0.00 N ATOM 244 CA CYS A 18 -1.433 -8.409 0.875 1.00 0.00 C ATOM 245 C CYS A 18 -0.407 -9.530 0.719 1.00 0.00 C ATOM 246 O CYS A 18 0.450 -9.712 1.580 1.00 0.00 O ATOM 247 CB CYS A 18 -1.037 -7.193 0.024 1.00 0.00 C ATOM 248 SG CYS A 18 -0.616 -7.633 -1.683 1.00 0.00 S ATOM 0 H CYS A 18 -1.129 -7.175 2.552 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.405 -8.749 0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.859 -6.478 0.017 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.185 -6.695 0.486 1.00 0.00 H new ATOM 253 N GLU A 19 -0.488 -10.278 -0.380 1.00 0.00 N ATOM 254 CA GLU A 19 0.469 -11.280 -0.804 1.00 0.00 C ATOM 255 C GLU A 19 1.906 -10.899 -0.428 1.00 0.00 C ATOM 256 O GLU A 19 2.615 -11.690 0.200 1.00 0.00 O ATOM 257 CB GLU A 19 0.338 -11.444 -2.322 1.00 0.00 C ATOM 258 CG GLU A 19 1.146 -12.641 -2.830 1.00 0.00 C ATOM 259 CD GLU A 19 1.420 -12.617 -4.317 1.00 0.00 C ATOM 260 OE1 GLU A 19 1.044 -11.646 -5.001 1.00 0.00 O ATOM 261 OE2 GLU A 19 2.113 -13.562 -4.758 1.00 0.00 O ATOM 0 H GLU A 19 -1.269 -10.191 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 19 0.254 -12.219 -0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.712 -11.574 -2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.681 -10.536 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.096 -12.676 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.609 -13.558 -2.585 1.00 0.00 H new ATOM 268 N ASN A 20 2.353 -9.733 -0.897 1.00 0.00 N ATOM 269 CA ASN A 20 3.750 -9.382 -1.017 1.00 0.00 C ATOM 270 C ASN A 20 4.054 -8.040 -0.355 1.00 0.00 C ATOM 271 O ASN A 20 3.783 -6.992 -0.936 1.00 0.00 O ATOM 272 CB ASN A 20 4.153 -9.404 -2.497 1.00 0.00 C ATOM 273 CG ASN A 20 3.265 -8.701 -3.532 1.00 0.00 C ATOM 274 OD1 ASN A 20 3.263 -9.087 -4.697 1.00 0.00 O ATOM 275 ND2 ASN A 20 2.529 -7.649 -3.204 1.00 0.00 N ATOM 0 H ASN A 20 1.726 -8.992 -1.210 1.00 0.00 H new ATOM 0 HA ASN A 20 4.349 -10.120 -0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.149 -8.968 -2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.240 -10.448 -2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.973 -7.174 -3.915 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.519 -7.314 -2.241 1.00 0.00 H new ATOM 282 N THR A 21 4.646 -8.040 0.837 1.00 0.00 N ATOM 283 CA THR A 21 4.800 -6.820 1.613 1.00 0.00 C ATOM 284 C THR A 21 5.545 -5.720 0.851 1.00 0.00 C ATOM 285 O THR A 21 4.908 -4.743 0.483 1.00 0.00 O ATOM 286 CB THR A 21 5.319 -7.106 3.026 1.00 0.00 C ATOM 287 OG1 THR A 21 4.841 -8.365 3.454 1.00 0.00 O ATOM 288 CG2 THR A 21 4.839 -6.034 4.007 1.00 0.00 C ATOM 0 H THR A 21 5.026 -8.874 1.284 1.00 0.00 H new ATOM 0 HA THR A 21 3.807 -6.396 1.763 1.00 0.00 H new ATOM 0 HB THR A 21 6.409 -7.102 3.002 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.494 -9.059 3.223 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.219 -6.257 5.004 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.206 -5.058 3.688 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.749 -6.022 4.028 1.00 0.00 H new ATOM 296 N PRO A 22 6.846 -5.829 0.546 1.00 0.00 N ATOM 297 CA PRO A 22 7.572 -4.719 -0.052 1.00 0.00 C ATOM 298 C PRO A 22 7.020 -4.288 -1.409 1.00 0.00 C ATOM 299 O PRO A 22 7.106 -3.112 -1.744 1.00 0.00 O ATOM 300 CB PRO A 22 9.023 -5.196 -0.170 1.00 0.00 C ATOM 301 CG PRO A 22 8.916 -6.720 -0.146 1.00 0.00 C ATOM 302 CD PRO A 22 7.737 -6.950 0.788 1.00 0.00 C ATOM 0 HA PRO A 22 7.475 -3.830 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.485 -4.843 -1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.633 -4.826 0.654 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.733 -7.130 -1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.828 -7.185 0.228 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.245 -7.899 0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.058 -6.982 1.829 1.00 0.00 H new ATOM 310 N ILE A 23 6.484 -5.195 -2.221 1.00 0.00 N ATOM 311 CA ILE A 23 5.864 -4.816 -3.482 1.00 0.00 C ATOM 312 C ILE A 23 4.612 -3.978 -3.201 1.00 0.00 C ATOM 313 O ILE A 23 4.344 -2.988 -3.887 1.00 0.00 O ATOM 314 CB ILE A 23 5.576 -6.076 -4.304 1.00 0.00 C ATOM 315 CG1 ILE A 23 6.862 -6.657 -4.906 1.00 0.00 C ATOM 316 CG2 ILE A 23 4.582 -5.831 -5.446 1.00 0.00 C ATOM 317 CD1 ILE A 23 7.811 -7.303 -3.897 1.00 0.00 C ATOM 0 H ILE A 23 6.468 -6.196 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 23 6.534 -4.195 -4.076 1.00 0.00 H new ATOM 0 HB ILE A 23 5.134 -6.782 -3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.591 -7.401 -5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.395 -5.860 -5.425 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.418 -6.760 -5.992 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.635 -5.480 -5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.985 -5.078 -6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.690 -7.684 -4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.118 -6.561 -3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.302 -8.125 -3.394 1.00 0.00 H new ATOM 329 N CYS A 24 3.836 -4.365 -2.191 1.00 0.00 N ATOM 330 CA CYS A 24 2.678 -3.587 -1.778 1.00 0.00 C ATOM 331 C CYS A 24 3.125 -2.229 -1.246 1.00 0.00 C ATOM 332 O CYS A 24 2.614 -1.191 -1.666 1.00 0.00 O ATOM 333 CB CYS A 24 1.857 -4.356 -0.745 1.00 0.00 C ATOM 334 SG CYS A 24 0.324 -3.516 -0.308 1.00 0.00 S ATOM 0 H CYS A 24 3.991 -5.213 -1.646 1.00 0.00 H new ATOM 0 HA CYS A 24 2.036 -3.415 -2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.625 -5.347 -1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.456 -4.501 0.154 1.00 0.00 H new ATOM 339 N GLU A 25 4.120 -2.225 -0.356 1.00 0.00 N ATOM 340 CA GLU A 25 4.681 -1.024 0.225 1.00 0.00 C ATOM 341 C GLU A 25 5.157 -0.088 -0.886 1.00 0.00 C ATOM 342 O GLU A 25 4.894 1.110 -0.861 1.00 0.00 O ATOM 343 CB GLU A 25 5.842 -1.431 1.139 1.00 0.00 C ATOM 344 CG GLU A 25 5.389 -2.101 2.451 1.00 0.00 C ATOM 345 CD GLU A 25 6.554 -2.353 3.388 1.00 0.00 C ATOM 346 OE1 GLU A 25 7.701 -2.039 3.006 1.00 0.00 O ATOM 347 OE2 GLU A 25 6.324 -2.863 4.502 1.00 0.00 O ATOM 0 H GLU A 25 4.561 -3.080 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 25 3.931 -0.492 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.496 -2.115 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.433 -0.547 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.654 -1.467 2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.894 -3.045 2.224 1.00 0.00 H new ATOM 354 N LEU A 26 5.861 -0.640 -1.868 1.00 0.00 N ATOM 355 CA LEU A 26 6.363 0.094 -3.011 1.00 0.00 C ATOM 356 C LEU A 26 5.218 0.802 -3.725 1.00 0.00 C ATOM 357 O LEU A 26 5.330 1.983 -4.054 1.00 0.00 O ATOM 358 CB LEU A 26 7.112 -0.866 -3.942 1.00 0.00 C ATOM 359 CG LEU A 26 7.701 -0.146 -5.162 1.00 0.00 C ATOM 360 CD1 LEU A 26 9.083 -0.712 -5.492 1.00 0.00 C ATOM 361 CD2 LEU A 26 6.795 -0.321 -6.384 1.00 0.00 C ATOM 0 H LEU A 26 6.101 -1.631 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 26 7.063 0.862 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.914 -1.355 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.432 -1.649 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 26 7.781 0.914 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.491 -0.193 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.747 -0.571 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.997 -1.776 -5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.231 0.197 -7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.697 -1.382 -6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.811 0.097 -6.170 1.00 0.00 H new ATOM 373 N ALA A 27 4.123 0.093 -3.990 1.00 0.00 N ATOM 374 CA ALA A 27 2.978 0.703 -4.644 1.00 0.00 C ATOM 375 C ALA A 27 2.385 1.800 -3.760 1.00 0.00 C ATOM 376 O ALA A 27 2.133 2.898 -4.240 1.00 0.00 O ATOM 377 CB ALA A 27 1.951 -0.357 -5.019 1.00 0.00 C ATOM 0 H ALA A 27 4.009 -0.895 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 27 3.303 1.175 -5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.100 0.118 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.404 -1.078 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.612 -0.870 -4.119 1.00 0.00 H new ATOM 383 N VAL A 28 2.198 1.546 -2.464 1.00 0.00 N ATOM 384 CA VAL A 28 1.735 2.565 -1.526 1.00 0.00 C ATOM 385 C VAL A 28 2.598 3.829 -1.623 1.00 0.00 C ATOM 386 O VAL A 28 2.072 4.931 -1.789 1.00 0.00 O ATOM 387 CB VAL A 28 1.682 1.995 -0.107 1.00 0.00 C ATOM 388 CG1 VAL A 28 1.559 3.092 0.954 1.00 0.00 C ATOM 389 CG2 VAL A 28 0.513 1.020 0.041 1.00 0.00 C ATOM 0 H VAL A 28 2.362 0.634 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 28 0.720 2.860 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 28 2.624 1.470 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.525 2.638 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.419 3.759 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.645 3.661 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.494 0.627 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.423 1.540 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.634 0.198 -0.664 1.00 0.00 H new ATOM 399 N LYS A 29 3.919 3.677 -1.543 1.00 0.00 N ATOM 400 CA LYS A 29 4.850 4.769 -1.704 1.00 0.00 C ATOM 401 C LYS A 29 4.651 5.444 -3.064 1.00 0.00 C ATOM 402 O LYS A 29 4.612 6.669 -3.158 1.00 0.00 O ATOM 403 CB LYS A 29 6.268 4.220 -1.505 1.00 0.00 C ATOM 404 CG LYS A 29 6.507 3.797 -0.048 1.00 0.00 C ATOM 405 CD LYS A 29 7.925 3.253 0.147 1.00 0.00 C ATOM 406 CE LYS A 29 8.213 2.899 1.615 1.00 0.00 C ATOM 407 NZ LYS A 29 8.226 4.073 2.513 1.00 0.00 N ATOM 0 H LYS A 29 4.368 2.779 -1.362 1.00 0.00 H new ATOM 0 HA LYS A 29 4.677 5.545 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.425 3.366 -2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.997 4.979 -1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.348 4.650 0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.781 3.035 0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.061 2.366 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.647 3.994 -0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.460 2.192 1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.177 2.394 1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.375 3.759 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.996 4.715 2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.317 4.573 2.444 1.00 0.00 H new ATOM 421 N GLY A 30 4.485 4.656 -4.118 1.00 0.00 N ATOM 422 CA GLY A 30 4.158 5.162 -5.439 1.00 0.00 C ATOM 423 C GLY A 30 2.858 5.966 -5.444 1.00 0.00 C ATOM 424 O GLY A 30 2.716 6.907 -6.223 1.00 0.00 O ATOM 0 H GLY A 30 4.575 3.641 -4.077 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.973 5.790 -5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.070 4.327 -6.134 1.00 0.00 H new ATOM 428 N SER A 31 1.895 5.577 -4.614 1.00 0.00 N ATOM 429 CA SER A 31 0.528 6.062 -4.659 1.00 0.00 C ATOM 430 C SER A 31 0.425 7.384 -3.898 1.00 0.00 C ATOM 431 O SER A 31 -0.312 8.273 -4.319 1.00 0.00 O ATOM 432 CB SER A 31 -0.399 4.980 -4.077 1.00 0.00 C ATOM 433 OG SER A 31 -1.773 5.291 -4.231 1.00 0.00 O ATOM 0 H SER A 31 2.053 4.896 -3.872 1.00 0.00 H new ATOM 0 HA SER A 31 0.220 6.257 -5.686 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.190 4.028 -4.565 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.177 4.850 -3.018 1.00 0.00 H new ATOM 0 HG SER A 31 -2.313 4.649 -3.724 1.00 0.00 H new ATOM 439 N CYS A 32 1.160 7.539 -2.793 1.00 0.00 N ATOM 440 CA CYS A 32 1.031 8.694 -1.898 1.00 0.00 C ATOM 441 C CYS A 32 2.401 9.005 -1.298 1.00 0.00 C ATOM 442 O CYS A 32 3.204 8.081 -1.179 1.00 0.00 O ATOM 443 CB CYS A 32 0.055 8.337 -0.775 1.00 0.00 C ATOM 444 SG CYS A 32 -1.655 8.074 -1.305 1.00 0.00 S ATOM 0 H CYS A 32 1.864 6.865 -2.492 1.00 0.00 H new ATOM 0 HA CYS A 32 0.663 9.561 -2.446 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.409 7.433 -0.279 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.071 9.135 -0.032 1.00 0.00 H new ATOM 449 N PRO A 33 2.709 10.252 -0.916 1.00 0.00 N ATOM 450 CA PRO A 33 3.946 10.572 -0.214 1.00 0.00 C ATOM 451 C PRO A 33 3.853 10.167 1.269 1.00 0.00 C ATOM 452 O PRO A 33 2.747 10.014 1.788 1.00 0.00 O ATOM 453 CB PRO A 33 4.111 12.086 -0.376 1.00 0.00 C ATOM 454 CG PRO A 33 2.677 12.597 -0.503 1.00 0.00 C ATOM 455 CD PRO A 33 1.942 11.453 -1.204 1.00 0.00 C ATOM 0 HA PRO A 33 4.803 10.031 -0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.618 12.527 0.482 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.703 12.332 -1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.242 12.814 0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.631 13.518 -1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.920 11.362 -0.836 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.880 11.629 -2.278 1.00 0.00 H new ATOM 463 N PRO A 34 4.989 10.015 1.974 1.00 0.00 N ATOM 464 CA PRO A 34 5.009 9.725 3.405 1.00 0.00 C ATOM 465 C PRO A 34 4.376 10.870 4.210 1.00 0.00 C ATOM 466 O PRO A 34 4.568 12.033 3.838 1.00 0.00 O ATOM 467 CB PRO A 34 6.487 9.564 3.799 1.00 0.00 C ATOM 468 CG PRO A 34 7.314 9.901 2.555 1.00 0.00 C ATOM 469 CD PRO A 34 6.324 10.143 1.417 1.00 0.00 C ATOM 0 HA PRO A 34 4.434 8.824 3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.742 10.228 4.625 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.689 8.547 4.134 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.928 10.785 2.727 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.993 9.084 2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.468 11.134 0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.477 9.421 0.614 1.00 0.00 H new ATOM 477 N PRO A 35 3.715 10.591 5.347 1.00 0.00 N ATOM 478 CA PRO A 35 3.473 9.268 5.906 1.00 0.00 C ATOM 479 C PRO A 35 2.308 8.580 5.189 1.00 0.00 C ATOM 480 O PRO A 35 1.674 9.145 4.302 1.00 0.00 O ATOM 481 CB PRO A 35 3.132 9.517 7.379 1.00 0.00 C ATOM 482 CG PRO A 35 2.406 10.858 7.324 1.00 0.00 C ATOM 483 CD PRO A 35 3.178 11.608 6.238 1.00 0.00 C ATOM 0 HA PRO A 35 4.336 8.612 5.791 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.500 8.729 7.789 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.026 9.564 8.001 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.354 10.739 7.065 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.442 11.379 8.281 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.524 12.293 5.698 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.978 12.207 6.672 1.00 0.00 H new ATOM 491 N TRP A 36 2.034 7.341 5.582 1.00 0.00 N ATOM 492 CA TRP A 36 0.972 6.502 5.053 1.00 0.00 C ATOM 493 C TRP A 36 0.159 5.966 6.218 1.00 0.00 C ATOM 494 O TRP A 36 0.401 4.838 6.644 1.00 0.00 O ATOM 495 CB TRP A 36 1.630 5.360 4.282 1.00 0.00 C ATOM 496 CG TRP A 36 2.387 5.817 3.089 1.00 0.00 C ATOM 497 CD1 TRP A 36 1.832 6.194 1.922 1.00 0.00 C ATOM 498 CD2 TRP A 36 3.812 6.070 2.959 1.00 0.00 C ATOM 499 NE1 TRP A 36 2.823 6.574 1.050 1.00 0.00 N ATOM 500 CE2 TRP A 36 4.059 6.563 1.647 1.00 0.00 C ATOM 501 CE3 TRP A 36 4.917 5.968 3.826 1.00 0.00 C ATOM 502 CZ2 TRP A 36 5.339 6.921 1.208 1.00 0.00 C ATOM 503 CZ3 TRP A 36 6.210 6.288 3.382 1.00 0.00 C ATOM 504 CH2 TRP A 36 6.425 6.758 2.076 1.00 0.00 C ATOM 0 H TRP A 36 2.573 6.875 6.312 1.00 0.00 H new ATOM 0 HA TRP A 36 0.309 7.057 4.389 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.305 4.822 4.948 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.862 4.653 3.968 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.774 6.197 1.705 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.660 6.833 0.077 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.768 5.640 4.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 5.487 7.317 0.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 7.049 6.171 4.052 1.00 0.00 H new ATOM 0 HH2 TRP A 36 7.425 6.993 1.743 1.00 0.00 H new ATOM 515 N SER A 37 -0.720 6.784 6.783 1.00 0.00 N ATOM 516 CA SER A 37 -1.550 6.411 7.912 1.00 0.00 C ATOM 517 C SER A 37 -2.869 7.174 7.786 1.00 0.00 C ATOM 518 O SER A 37 -3.361 7.282 6.643 1.00 0.00 O ATOM 519 CB SER A 37 -0.806 6.703 9.224 1.00 0.00 C ATOM 520 OG SER A 37 0.376 5.916 9.334 1.00 0.00 O ATOM 521 OXT SER A 37 -3.201 7.946 8.706 1.00 0.00 O ATOM 0 H SER A 37 -0.876 7.739 6.462 1.00 0.00 H new ATOM 0 HA SER A 37 -1.769 5.343 7.920 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.547 7.761 9.270 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.462 6.498 10.070 1.00 0.00 H new ATOM 0 HG SER A 37 0.830 6.124 10.177 1.00 0.00 H new TER 527 SER A 37