USER MOD reduce.3.24.130724 H: found=0, std=0, add=302, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 300 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00305 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.875 0.999 0.067 1.00 0.00 N ATOM 2 CA MET A 1 -2.886 2.067 -0.024 1.00 0.00 C ATOM 3 C MET A 1 -1.521 1.586 0.459 1.00 0.00 C ATOM 4 O MET A 1 -0.975 2.114 1.427 1.00 0.00 O ATOM 5 CB MET A 1 -3.333 3.277 0.798 1.00 0.00 C ATOM 6 CG MET A 1 -4.389 4.124 0.106 1.00 0.00 C ATOM 7 SD MET A 1 -5.504 4.932 1.271 1.00 0.00 S ATOM 8 CE MET A 1 -4.407 6.143 2.005 1.00 0.00 C ATOM 0 H1 MET A 1 -4.796 1.349 -0.267 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.575 0.197 -0.523 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.961 0.688 1.056 1.00 0.00 H new ATOM 0 HA MET A 1 -2.800 2.360 -1.070 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.725 2.932 1.754 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.465 3.899 1.016 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.898 4.881 -0.506 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.969 3.495 -0.569 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.952 6.724 2.749 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.571 5.633 2.484 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.030 6.809 1.229 1.00 0.00 H new ATOM 18 N GLU A 2 -0.976 0.583 -0.222 1.00 0.00 N ATOM 19 CA GLU A 2 0.324 0.032 0.140 1.00 0.00 C ATOM 20 C GLU A 2 1.332 0.228 -0.989 1.00 0.00 C ATOM 21 O GLU A 2 1.742 -0.732 -1.642 1.00 0.00 O ATOM 22 CB GLU A 2 0.198 -1.457 0.472 1.00 0.00 C ATOM 23 CG GLU A 2 1.359 -1.999 1.287 1.00 0.00 C ATOM 24 CD GLU A 2 1.638 -3.462 1.004 1.00 0.00 C ATOM 25 OE1 GLU A 2 2.192 -3.762 -0.075 1.00 0.00 O ATOM 26 OE2 GLU A 2 1.303 -4.308 1.859 1.00 0.00 O ATOM 0 H GLU A 2 -1.415 0.136 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 2 0.682 0.565 1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.729 -1.621 1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.122 -2.022 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.253 -1.414 1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.143 -1.873 2.348 1.00 0.00 H new ATOM 33 N GLN A 3 1.724 1.478 -1.213 1.00 0.00 N ATOM 34 CA GLN A 3 2.682 1.800 -2.264 1.00 0.00 C ATOM 35 C GLN A 3 3.481 3.049 -1.908 1.00 0.00 C ATOM 36 O GLN A 3 3.279 3.647 -0.851 1.00 0.00 O ATOM 37 CB GLN A 3 1.960 2.005 -3.597 1.00 0.00 C ATOM 38 CG GLN A 3 1.613 0.707 -4.307 1.00 0.00 C ATOM 39 CD GLN A 3 1.662 0.837 -5.817 1.00 0.00 C ATOM 40 OE1 GLN A 3 2.735 0.961 -6.407 1.00 0.00 O ATOM 41 NE2 GLN A 3 0.496 0.810 -6.452 1.00 0.00 N ATOM 0 H GLN A 3 1.393 2.283 -0.682 1.00 0.00 H new ATOM 0 HA GLN A 3 3.374 0.963 -2.359 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.044 2.569 -3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.587 2.611 -4.251 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.306 -0.072 -3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.615 0.388 -4.006 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.370 0.705 -5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.467 0.894 -7.468 1.00 0.00 H new ATOM 50 N SER A 4 4.390 3.438 -2.797 1.00 0.00 N ATOM 51 CA SER A 4 5.223 4.614 -2.574 1.00 0.00 C ATOM 52 C SER A 4 5.933 4.530 -1.226 1.00 0.00 C ATOM 53 O SER A 4 5.492 5.121 -0.240 1.00 0.00 O ATOM 54 CB SER A 4 4.374 5.886 -2.637 1.00 0.00 C ATOM 55 OG SER A 4 3.352 5.769 -3.612 1.00 0.00 O ATOM 0 H SER A 4 4.568 2.956 -3.678 1.00 0.00 H new ATOM 0 HA SER A 4 5.977 4.649 -3.361 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.929 6.079 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.009 6.740 -2.872 1.00 0.00 H new ATOM 0 HG SER A 4 2.823 6.594 -3.632 1.00 0.00 H new ATOM 61 N THR A 5 7.037 3.789 -1.192 1.00 0.00 N ATOM 62 CA THR A 5 7.809 3.625 0.033 1.00 0.00 C ATOM 63 C THR A 5 8.137 4.975 0.662 1.00 0.00 C ATOM 64 O THR A 5 8.056 5.138 1.879 1.00 0.00 O ATOM 65 CB THR A 5 9.120 2.861 -0.227 1.00 0.00 C ATOM 66 OG1 THR A 5 9.916 3.566 -1.186 1.00 0.00 O ATOM 67 CG2 THR A 5 8.836 1.455 -0.733 1.00 0.00 C ATOM 0 H THR A 5 7.416 3.293 -1.999 1.00 0.00 H new ATOM 0 HA THR A 5 7.191 3.048 0.720 1.00 0.00 H new ATOM 0 HB THR A 5 9.665 2.788 0.714 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.749 3.074 -1.345 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.777 0.935 -0.910 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.255 0.911 0.011 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.272 1.510 -1.664 1.00 0.00 H new ATOM 75 N GLU A 6 8.506 5.938 -0.176 1.00 0.00 N ATOM 76 CA GLU A 6 8.846 7.274 0.300 1.00 0.00 C ATOM 77 C GLU A 6 7.675 7.897 1.055 1.00 0.00 C ATOM 78 O GLU A 6 7.847 8.452 2.140 1.00 0.00 O ATOM 79 CB GLU A 6 9.246 8.171 -0.874 1.00 0.00 C ATOM 80 CG GLU A 6 10.572 8.884 -0.671 1.00 0.00 C ATOM 81 CD GLU A 6 11.716 8.205 -1.398 1.00 0.00 C ATOM 82 OE1 GLU A 6 11.975 8.567 -2.565 1.00 0.00 O ATOM 83 OE2 GLU A 6 12.353 7.312 -0.800 1.00 0.00 O ATOM 0 H GLU A 6 8.577 5.819 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 6 9.690 7.185 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.303 7.566 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 6 8.465 8.914 -1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.484 9.913 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.798 8.927 0.394 1.00 0.00 H new ATOM 90 N VAL A 7 6.485 7.802 0.472 1.00 0.00 N ATOM 91 CA VAL A 7 5.285 8.355 1.088 1.00 0.00 C ATOM 92 C VAL A 7 4.998 7.687 2.428 1.00 0.00 C ATOM 93 O VAL A 7 4.681 8.356 3.413 1.00 0.00 O ATOM 94 CB VAL A 7 4.057 8.192 0.172 1.00 0.00 C ATOM 95 CG1 VAL A 7 2.831 8.835 0.804 1.00 0.00 C ATOM 96 CG2 VAL A 7 4.334 8.788 -1.200 1.00 0.00 C ATOM 0 H VAL A 7 6.326 7.347 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 7 5.472 9.417 1.247 1.00 0.00 H new ATOM 0 HB VAL A 7 3.856 7.128 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.973 8.710 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.623 8.358 1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.017 9.898 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.456 8.664 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.560 9.849 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.184 8.278 -1.653 1.00 0.00 H new ATOM 106 N LEU A 8 5.110 6.364 2.459 1.00 0.00 N ATOM 107 CA LEU A 8 4.863 5.603 3.679 1.00 0.00 C ATOM 108 C LEU A 8 5.848 5.998 4.776 1.00 0.00 C ATOM 109 O LEU A 8 5.465 6.181 5.931 1.00 0.00 O ATOM 110 CB LEU A 8 4.968 4.103 3.399 1.00 0.00 C ATOM 111 CG LEU A 8 3.889 3.224 4.033 1.00 0.00 C ATOM 112 CD1 LEU A 8 2.642 3.201 3.163 1.00 0.00 C ATOM 113 CD2 LEU A 8 4.413 1.813 4.255 1.00 0.00 C ATOM 0 H LEU A 8 5.370 5.795 1.653 1.00 0.00 H new ATOM 0 HA LEU A 8 3.854 5.832 4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.943 3.953 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.941 3.756 3.746 1.00 0.00 H new ATOM 0 HG LEU A 8 3.624 3.648 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.885 2.571 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.255 4.214 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.891 2.801 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.632 1.202 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.706 1.379 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.277 1.846 4.919 1.00 0.00 H new ATOM 125 N ALA A 9 7.117 6.128 4.404 1.00 0.00 N ATOM 126 CA ALA A 9 8.156 6.505 5.355 1.00 0.00 C ATOM 127 C ALA A 9 7.881 7.881 5.951 1.00 0.00 C ATOM 128 O ALA A 9 8.028 8.086 7.156 1.00 0.00 O ATOM 129 CB ALA A 9 9.521 6.482 4.682 1.00 0.00 C ATOM 0 H ALA A 9 7.450 5.978 3.452 1.00 0.00 H new ATOM 0 HA ALA A 9 8.152 5.779 6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.287 6.766 5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.726 5.478 4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.528 7.186 3.850 1.00 0.00 H new ATOM 135 N ALA A 10 7.483 8.821 5.100 1.00 0.00 N ATOM 136 CA ALA A 10 7.187 10.177 5.544 1.00 0.00 C ATOM 137 C ALA A 10 6.009 10.193 6.512 1.00 0.00 C ATOM 138 O ALA A 10 6.040 10.881 7.533 1.00 0.00 O ATOM 139 CB ALA A 10 6.901 11.073 4.348 1.00 0.00 C ATOM 0 H ALA A 10 7.358 8.668 4.099 1.00 0.00 H new ATOM 0 HA ALA A 10 8.062 10.559 6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.681 12.083 4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.772 11.095 3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.044 10.684 3.798 1.00 0.00 H new ATOM 145 N VAL A 11 4.970 9.431 6.186 1.00 0.00 N ATOM 146 CA VAL A 11 3.781 9.357 7.027 1.00 0.00 C ATOM 147 C VAL A 11 4.114 8.783 8.399 1.00 0.00 C ATOM 148 O VAL A 11 3.661 9.293 9.424 1.00 0.00 O ATOM 149 CB VAL A 11 2.684 8.496 6.374 1.00 0.00 C ATOM 150 CG1 VAL A 11 1.459 8.421 7.273 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.318 9.048 5.005 1.00 0.00 C ATOM 0 H VAL A 11 4.928 8.856 5.345 1.00 0.00 H new ATOM 0 HA VAL A 11 3.411 10.376 7.143 1.00 0.00 H new ATOM 0 HB VAL A 11 3.070 7.485 6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.694 7.809 6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.736 7.976 8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.068 9.425 7.440 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.541 8.427 4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.951 10.069 5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.199 9.044 4.364 1.00 0.00 H new ATOM 161 N ILE A 12 4.910 7.718 8.412 1.00 0.00 N ATOM 162 CA ILE A 12 5.305 7.075 9.659 1.00 0.00 C ATOM 163 C ILE A 12 6.119 8.023 10.532 1.00 0.00 C ATOM 164 O ILE A 12 5.857 8.163 11.727 1.00 0.00 O ATOM 165 CB ILE A 12 6.129 5.800 9.398 1.00 0.00 C ATOM 166 CG1 ILE A 12 5.259 4.732 8.733 1.00 0.00 C ATOM 167 CG2 ILE A 12 6.719 5.276 10.699 1.00 0.00 C ATOM 168 CD1 ILE A 12 4.155 4.210 9.625 1.00 0.00 C ATOM 0 H ILE A 12 5.294 7.283 7.573 1.00 0.00 H new ATOM 0 HA ILE A 12 4.386 6.804 10.180 1.00 0.00 H new ATOM 0 HB ILE A 12 6.949 6.046 8.723 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.817 5.147 7.827 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.892 3.899 8.426 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.299 4.375 10.499 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.368 6.035 11.136 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.914 5.042 11.396 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.579 3.456 9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.590 3.765 10.520 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.499 5.032 9.911 1.00 0.00 H new ATOM 180 N ALA A 13 7.107 8.675 9.928 1.00 0.00 N ATOM 181 CA ALA A 13 7.958 9.613 10.650 1.00 0.00 C ATOM 182 C ALA A 13 7.140 10.766 11.223 1.00 0.00 C ATOM 183 O ALA A 13 7.349 11.182 12.362 1.00 0.00 O ATOM 184 CB ALA A 13 9.053 10.143 9.736 1.00 0.00 C ATOM 0 H ALA A 13 7.338 8.571 8.940 1.00 0.00 H new ATOM 0 HA ALA A 13 8.420 9.081 11.482 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.681 10.842 10.288 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.662 9.313 9.378 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.601 10.654 8.886 1.00 0.00 H new ATOM 190 N GLY A 14 6.209 11.279 10.424 1.00 0.00 N ATOM 191 CA GLY A 14 5.375 12.380 10.870 1.00 0.00 C ATOM 192 C GLY A 14 4.480 11.996 12.031 1.00 0.00 C ATOM 193 O GLY A 14 4.264 12.790 12.946 1.00 0.00 O ATOM 0 H GLY A 14 6.018 10.952 9.477 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.009 13.216 11.165 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.759 12.725 10.039 1.00 0.00 H new ATOM 197 N GLY A 15 3.956 10.775 11.994 1.00 0.00 N ATOM 198 CA GLY A 15 3.083 10.309 13.057 1.00 0.00 C ATOM 199 C GLY A 15 3.822 10.099 14.363 1.00 0.00 C ATOM 200 O GLY A 15 3.318 10.443 15.432 1.00 0.00 O ATOM 0 H GLY A 15 4.120 10.100 11.247 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.282 11.032 13.209 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.614 9.373 12.754 1.00 0.00 H new ATOM 204 N VAL A 16 5.021 9.530 14.279 1.00 0.00 N ATOM 205 CA VAL A 16 5.831 9.274 15.464 1.00 0.00 C ATOM 206 C VAL A 16 6.275 10.577 16.118 1.00 0.00 C ATOM 207 O VAL A 16 6.185 10.733 17.336 1.00 0.00 O ATOM 208 CB VAL A 16 7.075 8.433 15.122 1.00 0.00 C ATOM 209 CG1 VAL A 16 7.879 8.133 16.378 1.00 0.00 C ATOM 210 CG2 VAL A 16 6.672 7.147 14.417 1.00 0.00 C ATOM 0 H VAL A 16 5.453 9.238 13.402 1.00 0.00 H new ATOM 0 HA VAL A 16 5.205 8.716 16.161 1.00 0.00 H new ATOM 0 HB VAL A 16 7.706 9.009 14.445 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.754 7.538 16.116 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.200 9.068 16.837 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.260 7.577 17.082 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.564 6.566 14.183 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.019 6.565 15.067 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.144 7.388 13.495 1.00 0.00 H new ATOM 220 N ILE A 17 6.755 11.509 15.302 1.00 0.00 N ATOM 221 CA ILE A 17 7.212 12.800 15.802 1.00 0.00 C ATOM 222 C ILE A 17 6.062 13.588 16.420 1.00 0.00 C ATOM 223 O ILE A 17 6.199 14.162 17.500 1.00 0.00 O ATOM 224 CB ILE A 17 7.854 13.642 14.683 1.00 0.00 C ATOM 225 CG1 ILE A 17 9.043 12.897 14.074 1.00 0.00 C ATOM 226 CG2 ILE A 17 8.289 14.996 15.223 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.409 13.376 12.686 1.00 0.00 C ATOM 0 H ILE A 17 6.838 11.395 14.292 1.00 0.00 H new ATOM 0 HA ILE A 17 7.961 12.595 16.567 1.00 0.00 H new ATOM 0 HB ILE A 17 7.113 13.806 13.900 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.907 13.011 14.729 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.812 11.832 14.033 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.741 15.580 14.421 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.421 15.527 15.614 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.017 14.852 16.022 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.260 12.804 12.316 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.560 13.236 12.017 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.671 14.433 12.723 1.00 0.00 H new ATOM 239 N GLY A 18 4.927 13.611 15.728 1.00 0.00 N ATOM 240 CA GLY A 18 3.769 14.330 16.225 1.00 0.00 C ATOM 241 C GLY A 18 3.245 13.756 17.527 1.00 0.00 C ATOM 242 O GLY A 18 2.899 14.498 18.446 1.00 0.00 O ATOM 0 H GLY A 18 4.789 13.144 14.832 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.032 15.378 16.373 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.979 14.302 15.475 1.00 0.00 H new ATOM 246 N PHE A 19 3.185 12.431 17.606 1.00 0.00 N ATOM 247 CA PHE A 19 2.696 11.757 18.803 1.00 0.00 C ATOM 248 C PHE A 19 3.617 12.024 19.991 1.00 0.00 C ATOM 249 O PHE A 19 3.155 12.281 21.104 1.00 0.00 O ATOM 250 CB PHE A 19 2.585 10.251 18.558 1.00 0.00 C ATOM 251 CG PHE A 19 1.209 9.810 18.147 1.00 0.00 C ATOM 252 CD1 PHE A 19 0.619 8.702 18.732 1.00 0.00 C ATOM 253 CD2 PHE A 19 0.506 10.505 17.176 1.00 0.00 C ATOM 254 CE1 PHE A 19 -0.647 8.294 18.357 1.00 0.00 C ATOM 255 CE2 PHE A 19 -0.760 10.102 16.797 1.00 0.00 C ATOM 256 CZ PHE A 19 -1.337 8.994 17.387 1.00 0.00 C ATOM 0 H PHE A 19 3.469 11.802 16.855 1.00 0.00 H new ATOM 0 HA PHE A 19 1.707 12.153 19.035 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.296 9.964 17.784 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.871 9.721 19.466 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.155 8.150 19.490 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.953 11.371 16.710 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.096 7.429 18.822 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.298 10.653 16.040 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.326 8.676 17.090 1.00 0.00 H new ATOM 266 N LEU A 20 4.921 11.961 19.746 1.00 0.00 N ATOM 267 CA LEU A 20 5.908 12.195 20.795 1.00 0.00 C ATOM 268 C LEU A 20 5.827 13.629 21.309 1.00 0.00 C ATOM 269 O LEU A 20 5.964 13.879 22.506 1.00 0.00 O ATOM 270 CB LEU A 20 7.316 11.908 20.270 1.00 0.00 C ATOM 271 CG LEU A 20 7.989 10.647 20.812 1.00 0.00 C ATOM 272 CD1 LEU A 20 7.143 9.419 20.513 1.00 0.00 C ATOM 273 CD2 LEU A 20 9.384 10.492 20.222 1.00 0.00 C ATOM 0 H LEU A 20 5.320 11.750 18.831 1.00 0.00 H new ATOM 0 HA LEU A 20 5.690 11.520 21.622 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.269 11.832 19.184 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.950 12.763 20.503 1.00 0.00 H new ATOM 0 HG LEU A 20 8.082 10.744 21.894 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.638 8.531 20.906 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.165 9.527 20.983 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.018 9.317 19.435 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.849 9.589 20.619 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.314 10.417 19.137 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.990 11.358 20.488 1.00 0.00 H new ATOM 285 N PHE A 21 5.600 14.568 20.395 1.00 0.00 N ATOM 286 CA PHE A 21 5.500 15.977 20.756 1.00 0.00 C ATOM 287 C PHE A 21 4.239 16.240 21.575 1.00 0.00 C ATOM 288 O PHE A 21 4.269 16.976 22.560 1.00 0.00 O ATOM 289 CB PHE A 21 5.495 16.848 19.498 1.00 0.00 C ATOM 290 CG PHE A 21 6.683 17.761 19.397 1.00 0.00 C ATOM 291 CD1 PHE A 21 6.523 19.137 19.446 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.961 17.244 19.254 1.00 0.00 C ATOM 293 CE1 PHE A 21 7.614 19.980 19.354 1.00 0.00 C ATOM 294 CE2 PHE A 21 9.056 18.083 19.162 1.00 0.00 C ATOM 295 CZ PHE A 21 8.882 19.452 19.210 1.00 0.00 C ATOM 0 H PHE A 21 5.482 14.378 19.400 1.00 0.00 H new ATOM 0 HA PHE A 21 6.368 16.233 21.364 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.466 16.203 18.619 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.584 17.447 19.484 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.534 19.555 19.557 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.103 16.174 19.214 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.475 21.050 19.395 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.047 17.668 19.053 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.736 20.109 19.135 1.00 0.00 H new ATOM 305 N ALA A 22 3.133 15.633 21.158 1.00 0.00 N ATOM 306 CA ALA A 22 1.862 15.799 21.853 1.00 0.00 C ATOM 307 C ALA A 22 1.942 15.265 23.279 1.00 0.00 C ATOM 308 O ALA A 22 1.473 15.908 24.219 1.00 0.00 O ATOM 309 CB ALA A 22 0.747 15.102 21.088 1.00 0.00 C ATOM 0 H ALA A 22 3.091 15.022 20.342 1.00 0.00 H new ATOM 0 HA ALA A 22 1.641 16.865 21.904 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.196 15.234 21.618 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.666 15.533 20.090 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.971 14.038 21.006 1.00 0.00 H new ATOM 315 N ILE A 23 2.537 14.088 23.432 1.00 0.00 N ATOM 316 CA ILE A 23 2.678 13.469 24.745 1.00 0.00 C ATOM 317 C ILE A 23 3.614 14.278 25.636 1.00 0.00 C ATOM 318 O ILE A 23 3.390 14.400 26.841 1.00 0.00 O ATOM 319 CB ILE A 23 3.212 12.028 24.633 1.00 0.00 C ATOM 320 CG1 ILE A 23 2.207 11.145 23.890 1.00 0.00 C ATOM 321 CG2 ILE A 23 3.502 11.463 26.015 1.00 0.00 C ATOM 322 CD1 ILE A 23 0.906 10.950 24.637 1.00 0.00 C ATOM 0 H ILE A 23 2.929 13.543 22.664 1.00 0.00 H new ATOM 0 HA ILE A 23 1.684 13.446 25.192 1.00 0.00 H new ATOM 0 HB ILE A 23 4.142 12.043 24.065 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.995 11.589 22.917 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.659 10.171 23.704 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.879 10.445 25.920 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.250 12.082 26.511 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.586 11.458 26.605 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.242 10.314 24.051 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.106 10.478 25.599 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.431 11.918 24.800 1.00 0.00 H new ATOM 334 N PHE A 24 4.663 14.831 25.037 1.00 0.00 N ATOM 335 CA PHE A 24 5.633 15.631 25.776 1.00 0.00 C ATOM 336 C PHE A 24 5.004 16.932 26.267 1.00 0.00 C ATOM 337 O PHE A 24 5.256 17.371 27.389 1.00 0.00 O ATOM 338 CB PHE A 24 6.848 15.937 24.898 1.00 0.00 C ATOM 339 CG PHE A 24 7.958 16.632 25.633 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.756 15.936 26.527 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.204 17.980 25.431 1.00 0.00 C ATOM 342 CE1 PHE A 24 9.779 16.572 27.205 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.225 18.621 26.105 1.00 0.00 C ATOM 344 CZ PHE A 24 10.013 17.917 26.994 1.00 0.00 C ATOM 0 H PHE A 24 4.863 14.740 24.041 1.00 0.00 H new ATOM 0 HA PHE A 24 5.956 15.055 26.643 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.228 15.005 24.479 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.533 16.558 24.059 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.577 14.884 26.696 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.590 18.536 24.738 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.394 16.018 27.899 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.407 19.672 25.937 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.811 18.417 27.523 1.00 0.00 H new ATOM 354 N LEU A 25 4.187 17.544 25.417 1.00 0.00 N ATOM 355 CA LEU A 25 3.522 18.795 25.762 1.00 0.00 C ATOM 356 C LEU A 25 2.501 18.581 26.875 1.00 0.00 C ATOM 357 O LEU A 25 2.405 19.381 27.805 1.00 0.00 O ATOM 358 CB LEU A 25 2.834 19.387 24.530 1.00 0.00 C ATOM 359 CG LEU A 25 3.729 20.186 23.582 1.00 0.00 C ATOM 360 CD1 LEU A 25 3.061 20.343 22.225 1.00 0.00 C ATOM 361 CD2 LEU A 25 4.057 21.547 24.178 1.00 0.00 C ATOM 0 H LEU A 25 3.969 17.194 24.484 1.00 0.00 H new ATOM 0 HA LEU A 25 4.279 19.493 26.118 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.377 18.573 23.967 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.025 20.035 24.866 1.00 0.00 H new ATOM 0 HG LEU A 25 4.661 19.638 23.445 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.712 20.914 21.563 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.878 19.359 21.794 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.114 20.869 22.344 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.695 22.102 23.490 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.134 22.103 24.346 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.577 21.413 25.126 1.00 0.00 H new ATOM 373 N ILE A 26 1.742 17.495 26.773 1.00 0.00 N ATOM 374 CA ILE A 26 0.731 17.173 27.772 1.00 0.00 C ATOM 375 C ILE A 26 1.369 16.884 29.127 1.00 0.00 C ATOM 376 O ILE A 26 0.911 17.376 30.159 1.00 0.00 O ATOM 377 CB ILE A 26 -0.116 15.959 27.346 1.00 0.00 C ATOM 378 CG1 ILE A 26 -0.825 16.244 26.021 1.00 0.00 C ATOM 379 CG2 ILE A 26 -1.126 15.611 28.430 1.00 0.00 C ATOM 380 CD1 ILE A 26 -1.100 15.002 25.203 1.00 0.00 C ATOM 0 H ILE A 26 1.808 16.823 26.008 1.00 0.00 H new ATOM 0 HA ILE A 26 0.083 18.045 27.857 1.00 0.00 H new ATOM 0 HB ILE A 26 0.546 15.104 27.206 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.768 16.751 26.225 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.215 16.929 25.432 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.717 14.751 28.114 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.600 15.370 29.354 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.786 16.462 28.599 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.604 15.280 24.278 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.159 14.505 24.968 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.736 14.324 25.773 1.00 0.00 H new ATOM 392 N LEU A 27 2.429 16.084 29.116 1.00 0.00 N ATOM 393 CA LEU A 27 3.133 15.730 30.344 1.00 0.00 C ATOM 394 C LEU A 27 3.735 16.967 31.003 1.00 0.00 C ATOM 395 O LEU A 27 3.687 17.119 32.224 1.00 0.00 O ATOM 396 CB LEU A 27 4.233 14.709 30.048 1.00 0.00 C ATOM 397 CG LEU A 27 3.958 13.275 30.501 1.00 0.00 C ATOM 398 CD1 LEU A 27 4.001 13.176 32.018 1.00 0.00 C ATOM 399 CD2 LEU A 27 2.613 12.798 29.972 1.00 0.00 C ATOM 0 H LEU A 27 2.820 15.668 28.271 1.00 0.00 H new ATOM 0 HA LEU A 27 2.412 15.289 31.033 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.413 14.701 28.973 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.153 15.049 30.523 1.00 0.00 H new ATOM 0 HG LEU A 27 4.737 12.630 30.093 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.803 12.148 32.321 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.986 13.476 32.374 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.244 13.833 32.447 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.433 11.775 30.304 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.823 13.446 30.350 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.618 12.830 28.882 1.00 0.00 H new ATOM 411 N LEU A 28 4.300 17.850 30.186 1.00 0.00 N ATOM 412 CA LEU A 28 4.909 19.076 30.689 1.00 0.00 C ATOM 413 C LEU A 28 3.860 19.990 31.314 1.00 0.00 C ATOM 414 O LEU A 28 4.096 20.604 32.355 1.00 0.00 O ATOM 415 CB LEU A 28 5.633 19.810 29.559 1.00 0.00 C ATOM 416 CG LEU A 28 6.741 20.773 29.986 1.00 0.00 C ATOM 417 CD1 LEU A 28 7.801 20.883 28.900 1.00 0.00 C ATOM 418 CD2 LEU A 28 6.162 22.142 30.310 1.00 0.00 C ATOM 0 H LEU A 28 4.349 17.739 29.173 1.00 0.00 H new ATOM 0 HA LEU A 28 5.631 18.804 31.459 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.064 19.067 28.888 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.895 20.369 28.984 1.00 0.00 H new ATOM 0 HG LEU A 28 7.212 20.378 30.886 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.581 21.573 29.222 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.237 19.901 28.717 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.345 21.254 27.982 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.965 22.814 30.612 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.664 22.545 29.428 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.441 22.049 31.123 1.00 0.00 H new ATOM 430 N LEU A 29 2.699 20.074 30.672 1.00 0.00 N ATOM 431 CA LEU A 29 1.611 20.911 31.165 1.00 0.00 C ATOM 432 C LEU A 29 1.089 20.393 32.502 1.00 0.00 C ATOM 433 O LEU A 29 0.941 21.154 33.459 1.00 0.00 O ATOM 434 CB LEU A 29 0.473 20.957 30.144 1.00 0.00 C ATOM 435 CG LEU A 29 0.100 22.343 29.618 1.00 0.00 C ATOM 436 CD1 LEU A 29 -0.350 22.260 28.167 1.00 0.00 C ATOM 437 CD2 LEU A 29 -0.989 22.965 30.480 1.00 0.00 C ATOM 0 H LEU A 29 2.488 19.573 29.809 1.00 0.00 H new ATOM 0 HA LEU A 29 1.999 21.919 31.313 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.747 20.330 29.296 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.413 20.511 30.597 1.00 0.00 H new ATOM 0 HG LEU A 29 0.984 22.979 29.668 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.612 23.256 27.810 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.459 21.857 27.558 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.220 21.608 28.093 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.242 23.951 30.091 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.875 22.330 30.462 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.632 23.060 31.505 1.00 0.00 H new ATOM 449 N VAL A 30 0.812 19.094 32.561 1.00 0.00 N ATOM 450 CA VAL A 30 0.310 18.474 33.781 1.00 0.00 C ATOM 451 C VAL A 30 1.352 18.526 34.893 1.00 0.00 C ATOM 452 O VAL A 30 1.012 18.638 36.071 1.00 0.00 O ATOM 453 CB VAL A 30 -0.095 17.008 33.539 1.00 0.00 C ATOM 454 CG1 VAL A 30 1.111 16.184 33.115 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.739 16.421 34.786 1.00 0.00 C ATOM 0 H VAL A 30 0.927 18.451 31.778 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.570 19.041 34.086 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.827 16.980 32.732 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.806 15.151 32.949 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.525 16.593 32.193 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.868 16.217 33.899 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.019 15.385 34.597 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.031 16.461 35.614 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.629 16.997 35.041 1.00 0.00 H new ATOM 465 N TYR A 31 2.621 18.445 34.511 1.00 0.00 N ATOM 466 CA TYR A 31 3.714 18.480 35.476 1.00 0.00 C ATOM 467 C TYR A 31 3.923 19.894 36.009 1.00 0.00 C ATOM 468 O TYR A 31 4.198 20.088 37.194 1.00 0.00 O ATOM 469 CB TYR A 31 5.005 17.969 34.835 1.00 0.00 C ATOM 470 CG TYR A 31 6.177 17.922 35.789 1.00 0.00 C ATOM 471 CD1 TYR A 31 6.163 17.083 36.897 1.00 0.00 C ATOM 472 CD2 TYR A 31 7.298 18.716 35.583 1.00 0.00 C ATOM 473 CE1 TYR A 31 7.231 17.037 37.772 1.00 0.00 C ATOM 474 CE2 TYR A 31 8.371 18.676 36.452 1.00 0.00 C ATOM 475 CZ TYR A 31 8.333 17.835 37.545 1.00 0.00 C ATOM 476 OH TYR A 31 9.400 17.793 38.413 1.00 0.00 O ATOM 0 H TYR A 31 2.919 18.355 33.540 1.00 0.00 H new ATOM 0 HA TYR A 31 3.449 17.831 36.311 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.832 16.970 34.436 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.260 18.610 33.991 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.302 16.456 37.077 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.331 19.376 34.729 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.203 16.380 38.629 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.235 19.300 36.277 1.00 0.00 H new ATOM 0 HH TYR A 31 10.094 18.415 38.109 1.00 0.00 H new ATOM 486 N ARG A 32 3.791 20.879 35.126 1.00 0.00 N ATOM 487 CA ARG A 32 3.966 22.275 35.507 1.00 0.00 C ATOM 488 C ARG A 32 2.935 22.686 36.554 1.00 0.00 C ATOM 489 O ARG A 32 3.240 23.441 37.477 1.00 0.00 O ATOM 490 CB ARG A 32 3.849 23.179 34.279 1.00 0.00 C ATOM 491 CG ARG A 32 5.188 23.677 33.759 1.00 0.00 C ATOM 492 CD ARG A 32 5.531 25.046 34.324 1.00 0.00 C ATOM 493 NE ARG A 32 6.943 25.154 34.680 1.00 0.00 N ATOM 494 CZ ARG A 32 7.924 25.209 33.786 1.00 0.00 C ATOM 495 NH1 ARG A 32 7.648 25.167 32.490 1.00 0.00 N ATOM 496 NH2 ARG A 32 9.185 25.306 34.188 1.00 0.00 N ATOM 0 H ARG A 32 3.563 20.736 34.142 1.00 0.00 H new ATOM 0 HA ARG A 32 4.961 22.386 35.938 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.340 22.634 33.484 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.224 24.037 34.528 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.970 22.966 34.025 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.161 23.728 32.671 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.283 25.813 33.591 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.919 25.238 35.206 1.00 0.00 H new ATOM 0 HE ARG A 32 7.190 25.189 35.669 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.680 25.092 32.177 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.404 25.209 31.806 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.402 25.338 35.184 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.938 25.348 33.501 1.00 0.00 H new ATOM 510 N MET A 33 1.713 22.185 36.404 1.00 0.00 N ATOM 511 CA MET A 33 0.638 22.499 37.337 1.00 0.00 C ATOM 512 C MET A 33 0.942 21.943 38.725 1.00 0.00 C ATOM 513 O MET A 33 0.411 22.423 39.726 1.00 0.00 O ATOM 514 CB MET A 33 -0.690 21.935 36.828 1.00 0.00 C ATOM 515 CG MET A 33 -1.763 22.992 36.630 1.00 0.00 C ATOM 516 SD MET A 33 -2.857 22.621 35.246 1.00 0.00 S ATOM 517 CE MET A 33 -2.067 23.548 33.932 1.00 0.00 C ATOM 0 H MET A 33 1.443 21.560 35.645 1.00 0.00 H new ATOM 0 HA MET A 33 0.559 23.584 37.409 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.518 21.422 35.882 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.053 21.189 37.535 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.354 23.079 37.542 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.288 23.959 36.464 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.629 23.419 33.007 1.00 0.00 H new ATOM 0 HE2 MET A 33 -2.042 24.605 34.197 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.049 23.185 33.792 1.00 0.00 H new ATOM 527 N ARG A 34 1.799 20.928 38.776 1.00 0.00 N ATOM 528 CA ARG A 34 2.172 20.306 40.040 1.00 0.00 C ATOM 529 C ARG A 34 3.079 21.226 40.852 1.00 0.00 C ATOM 530 O ARG A 34 3.045 21.222 42.083 1.00 0.00 O ATOM 531 CB ARG A 34 2.875 18.971 39.789 1.00 0.00 C ATOM 532 CG ARG A 34 2.245 17.802 40.527 1.00 0.00 C ATOM 533 CD ARG A 34 1.929 16.652 39.583 1.00 0.00 C ATOM 534 NE ARG A 34 2.012 15.356 40.251 1.00 0.00 N ATOM 535 CZ ARG A 34 1.083 14.897 41.081 1.00 0.00 C ATOM 536 NH1 ARG A 34 0.005 15.623 41.344 1.00 0.00 N ATOM 537 NH2 ARG A 34 1.230 13.707 41.651 1.00 0.00 N ATOM 0 H ARG A 34 2.248 20.519 37.956 1.00 0.00 H new ATOM 0 HA ARG A 34 1.261 20.127 40.610 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.867 18.761 38.719 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.919 19.058 40.089 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.921 17.457 41.309 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.330 18.132 41.020 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.928 16.785 39.173 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.623 16.672 38.743 1.00 0.00 H new ATOM 0 HE ARG A 34 2.828 14.772 40.070 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.113 16.538 40.908 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.706 15.267 41.982 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.057 13.145 41.451 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.516 13.355 42.289 1.00 0.00 H new ATOM 551 N LYS A 35 3.891 22.014 40.155 1.00 0.00 N ATOM 552 CA LYS A 35 4.807 22.940 40.810 1.00 0.00 C ATOM 553 C LYS A 35 4.044 23.947 41.665 1.00 0.00 C ATOM 554 O LYS A 35 4.645 24.765 42.361 1.00 0.00 O ATOM 555 CB LYS A 35 5.651 23.676 39.767 1.00 0.00 C ATOM 556 CG LYS A 35 7.138 23.677 40.078 1.00 0.00 C ATOM 557 CD LYS A 35 7.558 24.951 40.792 1.00 0.00 C ATOM 558 CE LYS A 35 8.713 25.635 40.076 1.00 0.00 C ATOM 559 NZ LYS A 35 9.320 26.712 40.906 1.00 0.00 N ATOM 0 H LYS A 35 3.933 22.030 39.136 1.00 0.00 H new ATOM 0 HA LYS A 35 5.465 22.363 41.460 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.493 23.214 38.792 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.303 24.706 39.692 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.381 22.814 40.698 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.704 23.574 39.152 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.710 25.633 40.851 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.850 24.717 41.816 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.474 24.896 39.827 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.358 26.057 39.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.103 27.154 40.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.600 27.430 41.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.681 26.305 41.792 1.00 0.00 H new TER 573 LYS A 35