USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 455 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 -163:sc= -0.0598 (180deg=-0.428) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.00289 (180deg=-0.191) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot -2:sc= -0.788 USER MOD Single : A 8 THR OG1 : rot 145:sc= 1.51 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 160:sc= -0.22 USER MOD Single : A 17 HIS : no HD1:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 44 LYS NZ :NH3+ -119:sc= 0.769 (180deg=-0.739) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -141:sc= -0.482 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.271 9.378 16.119 1.00 0.00 N ATOM 2 CA MET A 1 2.059 9.490 14.870 1.00 0.00 C ATOM 3 C MET A 1 1.116 9.425 13.656 1.00 0.00 C ATOM 4 O MET A 1 0.107 8.704 13.680 1.00 0.00 O ATOM 5 CB MET A 1 3.137 8.376 14.806 1.00 0.00 C ATOM 6 CG MET A 1 4.179 8.444 15.934 1.00 0.00 C ATOM 7 SD MET A 1 5.380 7.094 15.880 1.00 0.00 S ATOM 8 CE MET A 1 4.341 5.647 16.138 1.00 0.00 C ATOM 0 H1 MET A 1 1.478 10.191 16.734 1.00 0.00 H new ATOM 0 H2 MET A 1 0.257 9.366 15.890 1.00 0.00 H new ATOM 0 H3 MET A 1 1.525 8.498 16.612 1.00 0.00 H new ATOM 0 HA MET A 1 2.576 10.450 14.855 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.643 7.405 14.841 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.651 8.438 13.847 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.709 9.395 15.873 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.665 8.426 16.895 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.963 4.799 16.426 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.620 5.853 16.929 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.811 5.411 15.216 1.00 0.00 H new ATOM 20 N SER A 2 1.448 10.200 12.607 1.00 0.00 N ATOM 21 CA SER A 2 0.621 10.323 11.390 1.00 0.00 C ATOM 22 C SER A 2 0.933 9.189 10.389 1.00 0.00 C ATOM 23 O SER A 2 2.093 8.788 10.238 1.00 0.00 O ATOM 24 CB SER A 2 0.864 11.706 10.737 1.00 0.00 C ATOM 25 OG SER A 2 2.234 11.895 10.417 1.00 0.00 O ATOM 0 H SER A 2 2.300 10.761 12.579 1.00 0.00 H new ATOM 0 HA SER A 2 -0.429 10.237 11.671 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.262 11.794 9.832 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.536 12.493 11.416 1.00 0.00 H new ATOM 0 HG SER A 2 2.355 12.776 10.005 1.00 0.00 H new ATOM 31 N GLY A 3 -0.117 8.683 9.716 1.00 0.00 N ATOM 32 CA GLY A 3 0.015 7.645 8.687 1.00 0.00 C ATOM 33 C GLY A 3 -0.468 8.155 7.338 1.00 0.00 C ATOM 34 O GLY A 3 -1.633 8.556 7.206 1.00 0.00 O ATOM 0 H GLY A 3 -1.079 8.985 9.873 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.057 7.333 8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.561 6.766 8.976 1.00 0.00 H new ATOM 38 N ALA A 4 0.428 8.153 6.338 1.00 0.00 N ATOM 39 CA ALA A 4 0.137 8.655 4.990 1.00 0.00 C ATOM 40 C ALA A 4 -0.700 7.619 4.222 1.00 0.00 C ATOM 41 O ALA A 4 -0.184 6.583 3.809 1.00 0.00 O ATOM 42 CB ALA A 4 1.447 8.980 4.239 1.00 0.00 C ATOM 0 H ALA A 4 1.379 7.801 6.445 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.438 9.578 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.212 9.351 3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.002 9.741 4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.053 8.078 4.157 1.00 0.00 H new ATOM 48 N ARG A 5 -1.991 7.913 4.037 1.00 0.00 N ATOM 49 CA ARG A 5 -2.934 6.985 3.397 1.00 0.00 C ATOM 50 C ARG A 5 -2.761 7.015 1.873 1.00 0.00 C ATOM 51 O ARG A 5 -2.521 8.074 1.285 1.00 0.00 O ATOM 52 CB ARG A 5 -4.392 7.360 3.742 1.00 0.00 C ATOM 53 CG ARG A 5 -4.775 7.261 5.226 1.00 0.00 C ATOM 54 CD ARG A 5 -6.268 7.570 5.443 1.00 0.00 C ATOM 55 NE ARG A 5 -6.639 7.564 6.870 1.00 0.00 N ATOM 56 CZ ARG A 5 -7.875 7.776 7.347 1.00 0.00 C ATOM 57 NH1 ARG A 5 -8.899 8.026 6.530 1.00 0.00 N ATOM 58 NH2 ARG A 5 -8.073 7.739 8.649 1.00 0.00 N ATOM 0 H ARG A 5 -2.412 8.796 4.325 1.00 0.00 H new ATOM 0 HA ARG A 5 -2.722 5.984 3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.573 8.381 3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.058 6.714 3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.552 6.260 5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.170 7.957 5.807 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.501 8.544 5.013 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.870 6.834 4.910 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.898 7.385 7.548 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.750 8.059 5.521 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.831 8.184 6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.293 7.551 9.278 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.007 7.898 9.028 1.00 0.00 H new ATOM 72 N CYS A 6 -2.887 5.840 1.256 1.00 0.00 N ATOM 73 CA CYS A 6 -2.869 5.673 -0.201 1.00 0.00 C ATOM 74 C CYS A 6 -3.943 4.657 -0.606 1.00 0.00 C ATOM 75 O CYS A 6 -4.409 3.859 0.211 1.00 0.00 O ATOM 76 CB CYS A 6 -1.465 5.225 -0.680 1.00 0.00 C ATOM 77 SG CYS A 6 -0.175 6.423 -0.292 1.00 0.00 S ATOM 0 H CYS A 6 -3.006 4.962 1.761 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.089 6.627 -0.679 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.217 4.269 -0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.489 5.061 -1.757 1.00 0.00 H new ATOM 0 HG CYS A 6 -0.706 7.462 0.281 1.00 0.00 H new ATOM 83 N ARG A 7 -4.329 4.717 -1.875 1.00 0.00 N ATOM 84 CA ARG A 7 -5.289 3.805 -2.496 1.00 0.00 C ATOM 85 C ARG A 7 -4.534 2.855 -3.418 1.00 0.00 C ATOM 86 O ARG A 7 -3.514 3.217 -3.999 1.00 0.00 O ATOM 87 CB ARG A 7 -6.336 4.603 -3.319 1.00 0.00 C ATOM 88 CG ARG A 7 -7.346 5.409 -2.487 1.00 0.00 C ATOM 89 CD ARG A 7 -8.296 4.509 -1.680 1.00 0.00 C ATOM 90 NE ARG A 7 -9.402 5.281 -1.089 1.00 0.00 N ATOM 91 CZ ARG A 7 -10.659 4.841 -0.924 1.00 0.00 C ATOM 92 NH1 ARG A 7 -11.010 3.599 -1.248 1.00 0.00 N ATOM 93 NH2 ARG A 7 -11.562 5.663 -0.428 1.00 0.00 N ATOM 0 H ARG A 7 -3.974 5.421 -2.521 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.810 3.244 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.808 5.288 -3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.885 3.906 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.807 6.067 -1.805 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.931 6.047 -3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.700 3.731 -2.328 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.739 4.007 -0.889 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.195 6.230 -0.779 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.317 2.957 -1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.972 3.289 -1.113 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.300 6.616 -0.177 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.522 5.346 -0.296 1.00 0.00 H new ATOM 107 N THR A 8 -5.046 1.640 -3.524 1.00 0.00 N ATOM 108 CA THR A 8 -4.530 0.621 -4.430 1.00 0.00 C ATOM 109 C THR A 8 -5.335 0.662 -5.748 1.00 0.00 C ATOM 110 O THR A 8 -6.558 0.471 -5.735 1.00 0.00 O ATOM 111 CB THR A 8 -4.637 -0.766 -3.721 1.00 0.00 C ATOM 112 OG1 THR A 8 -5.959 -0.923 -3.180 1.00 0.00 O ATOM 113 CG2 THR A 8 -3.615 -0.896 -2.575 1.00 0.00 C ATOM 0 H THR A 8 -5.846 1.326 -2.974 1.00 0.00 H new ATOM 0 HA THR A 8 -3.484 0.802 -4.677 1.00 0.00 H new ATOM 0 HB THR A 8 -4.428 -1.538 -4.461 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.229 -1.863 -3.243 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.718 -1.874 -2.104 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.606 -0.790 -2.974 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.797 -0.116 -1.835 1.00 0.00 H new ATOM 121 N LEU A 9 -4.650 0.955 -6.870 1.00 0.00 N ATOM 122 CA LEU A 9 -5.295 1.090 -8.194 1.00 0.00 C ATOM 123 C LEU A 9 -5.791 -0.272 -8.703 1.00 0.00 C ATOM 124 O LEU A 9 -6.947 -0.406 -9.119 1.00 0.00 O ATOM 125 CB LEU A 9 -4.313 1.726 -9.223 1.00 0.00 C ATOM 126 CG LEU A 9 -3.946 3.223 -8.983 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.914 3.726 -10.022 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.219 4.097 -8.978 1.00 0.00 C ATOM 0 H LEU A 9 -3.641 1.104 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.156 1.749 -8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.392 1.143 -9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.750 1.635 -10.217 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.477 3.305 -8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.681 4.772 -9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.004 3.131 -9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.330 3.629 -11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.945 5.138 -8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.726 4.006 -9.938 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.886 3.764 -8.183 1.00 0.00 H new ATOM 140 N TYR A 10 -4.897 -1.275 -8.678 1.00 0.00 N ATOM 141 CA TYR A 10 -5.186 -2.642 -9.169 1.00 0.00 C ATOM 142 C TYR A 10 -4.655 -3.684 -8.156 1.00 0.00 C ATOM 143 O TYR A 10 -3.648 -3.419 -7.479 1.00 0.00 O ATOM 144 CB TYR A 10 -4.563 -2.858 -10.585 1.00 0.00 C ATOM 145 CG TYR A 10 -5.219 -1.993 -11.671 1.00 0.00 C ATOM 146 CD1 TYR A 10 -6.415 -2.389 -12.281 1.00 0.00 C ATOM 147 CD2 TYR A 10 -4.669 -0.766 -12.059 1.00 0.00 C ATOM 148 CE1 TYR A 10 -7.031 -1.598 -13.234 1.00 0.00 C ATOM 149 CE2 TYR A 10 -5.283 0.025 -13.015 1.00 0.00 C ATOM 150 CZ TYR A 10 -6.461 -0.393 -13.597 1.00 0.00 C ATOM 151 OH TYR A 10 -7.078 0.397 -14.547 1.00 0.00 O ATOM 0 H TYR A 10 -3.950 -1.165 -8.317 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.265 -2.770 -9.261 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.497 -2.633 -10.544 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.657 -3.909 -10.860 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.865 -3.330 -12.002 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.749 -0.430 -11.604 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.954 -1.921 -13.693 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.841 0.967 -13.304 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.551 1.211 -14.688 1.00 0.00 H new ATOM 161 N PRO A 11 -5.325 -4.880 -8.023 1.00 0.00 N ATOM 162 CA PRO A 11 -4.903 -5.931 -7.079 1.00 0.00 C ATOM 163 C PRO A 11 -3.655 -6.673 -7.592 1.00 0.00 C ATOM 164 O PRO A 11 -3.676 -7.231 -8.696 1.00 0.00 O ATOM 165 CB PRO A 11 -6.151 -6.877 -6.992 1.00 0.00 C ATOM 166 CG PRO A 11 -7.235 -6.199 -7.783 1.00 0.00 C ATOM 167 CD PRO A 11 -6.523 -5.318 -8.781 1.00 0.00 C ATOM 0 HA PRO A 11 -4.615 -5.536 -6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.925 -7.861 -7.402 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.457 -7.026 -5.957 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.867 -6.930 -8.287 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.883 -5.610 -7.134 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.254 -5.864 -9.685 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.139 -4.474 -9.090 1.00 0.00 H new ATOM 175 N PHE A 12 -2.565 -6.661 -6.803 1.00 0.00 N ATOM 176 CA PHE A 12 -1.331 -7.381 -7.150 1.00 0.00 C ATOM 177 C PHE A 12 -0.894 -8.265 -5.974 1.00 0.00 C ATOM 178 O PHE A 12 -0.340 -7.781 -4.982 1.00 0.00 O ATOM 179 CB PHE A 12 -0.202 -6.399 -7.569 1.00 0.00 C ATOM 180 CG PHE A 12 1.063 -7.091 -8.080 1.00 0.00 C ATOM 181 CD1 PHE A 12 1.084 -7.695 -9.338 1.00 0.00 C ATOM 182 CD2 PHE A 12 2.219 -7.169 -7.293 1.00 0.00 C ATOM 183 CE1 PHE A 12 2.214 -8.350 -9.794 1.00 0.00 C ATOM 184 CE2 PHE A 12 3.346 -7.829 -7.749 1.00 0.00 C ATOM 185 CZ PHE A 12 3.343 -8.418 -9.000 1.00 0.00 C ATOM 0 H PHE A 12 -2.516 -6.157 -5.917 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.533 -8.021 -8.009 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.581 -5.736 -8.347 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.058 -5.773 -6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.205 -7.650 -9.965 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.231 -6.707 -6.317 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.214 -8.809 -10.772 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.228 -7.884 -7.128 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.224 -8.932 -9.357 1.00 0.00 H new ATOM 195 N SER A 13 -1.173 -9.568 -6.110 1.00 0.00 N ATOM 196 CA SER A 13 -0.758 -10.618 -5.171 1.00 0.00 C ATOM 197 C SER A 13 -0.643 -11.961 -5.918 1.00 0.00 C ATOM 198 O SER A 13 -0.809 -13.023 -5.307 1.00 0.00 O ATOM 199 CB SER A 13 -1.763 -10.724 -4.002 1.00 0.00 C ATOM 200 OG SER A 13 -1.827 -9.507 -3.275 1.00 0.00 O ATOM 0 H SER A 13 -1.709 -9.931 -6.899 1.00 0.00 H new ATOM 0 HA SER A 13 0.216 -10.363 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.751 -10.973 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.468 -11.535 -3.336 1.00 0.00 H new ATOM 0 HG SER A 13 -2.664 -9.474 -2.766 1.00 0.00 H new ATOM 206 N GLY A 14 -0.290 -11.875 -7.224 1.00 0.00 N ATOM 207 CA GLY A 14 -0.208 -13.036 -8.131 1.00 0.00 C ATOM 208 C GLY A 14 0.746 -14.132 -7.641 1.00 0.00 C ATOM 209 O GLY A 14 1.941 -14.106 -7.957 1.00 0.00 O ATOM 0 H GLY A 14 -0.054 -10.991 -7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.204 -13.461 -8.254 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.117 -12.696 -9.114 1.00 0.00 H new ATOM 213 N GLU A 15 0.183 -15.060 -6.828 1.00 0.00 N ATOM 214 CA GLU A 15 0.897 -16.198 -6.213 1.00 0.00 C ATOM 215 C GLU A 15 2.087 -15.688 -5.352 1.00 0.00 C ATOM 216 O GLU A 15 3.230 -16.138 -5.487 1.00 0.00 O ATOM 217 CB GLU A 15 1.324 -17.236 -7.307 1.00 0.00 C ATOM 218 CG GLU A 15 1.770 -18.604 -6.746 1.00 0.00 C ATOM 219 CD GLU A 15 2.111 -19.627 -7.847 1.00 0.00 C ATOM 220 OE1 GLU A 15 1.188 -20.322 -8.338 1.00 0.00 O ATOM 221 OE2 GLU A 15 3.294 -19.732 -8.241 1.00 0.00 O ATOM 0 H GLU A 15 -0.806 -15.034 -6.578 1.00 0.00 H new ATOM 0 HA GLU A 15 0.226 -16.725 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.488 -17.391 -7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.140 -16.813 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.642 -18.461 -6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.977 -19.008 -6.116 1.00 0.00 H new ATOM 228 N ARG A 16 1.795 -14.692 -4.492 1.00 0.00 N ATOM 229 CA ARG A 16 2.778 -14.096 -3.568 1.00 0.00 C ATOM 230 C ARG A 16 2.620 -14.709 -2.159 1.00 0.00 C ATOM 231 O ARG A 16 1.951 -14.142 -1.290 1.00 0.00 O ATOM 232 CB ARG A 16 2.624 -12.546 -3.531 1.00 0.00 C ATOM 233 CG ARG A 16 2.771 -11.838 -4.902 1.00 0.00 C ATOM 234 CD ARG A 16 4.122 -12.109 -5.584 1.00 0.00 C ATOM 235 NE ARG A 16 5.256 -11.699 -4.731 1.00 0.00 N ATOM 236 CZ ARG A 16 6.429 -12.342 -4.624 1.00 0.00 C ATOM 237 NH1 ARG A 16 6.679 -13.435 -5.336 1.00 0.00 N ATOM 238 NH2 ARG A 16 7.356 -11.881 -3.801 1.00 0.00 N ATOM 0 H ARG A 16 0.866 -14.277 -4.419 1.00 0.00 H new ATOM 0 HA ARG A 16 3.783 -14.320 -3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.645 -12.303 -3.117 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.369 -12.139 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.967 -12.166 -5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.651 -10.764 -4.763 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.206 -13.171 -5.816 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.166 -11.571 -6.531 1.00 0.00 H new ATOM 0 HE ARG A 16 5.137 -10.853 -4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.974 -13.799 -5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.576 -13.911 -5.242 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.178 -11.040 -3.251 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.249 -12.366 -3.716 1.00 0.00 H new ATOM 252 N HIS A 17 3.188 -15.913 -1.978 1.00 0.00 N ATOM 253 CA HIS A 17 3.189 -16.640 -0.682 1.00 0.00 C ATOM 254 C HIS A 17 4.438 -16.293 0.147 1.00 0.00 C ATOM 255 O HIS A 17 4.463 -16.503 1.371 1.00 0.00 O ATOM 256 CB HIS A 17 3.111 -18.171 -0.918 1.00 0.00 C ATOM 257 CG HIS A 17 1.845 -18.621 -1.606 1.00 0.00 C ATOM 258 ND1 HIS A 17 1.812 -18.870 -2.957 1.00 0.00 N ATOM 259 CD2 HIS A 17 0.611 -18.858 -1.086 1.00 0.00 C ATOM 260 CE1 HIS A 17 0.580 -19.255 -3.227 1.00 0.00 C ATOM 261 NE2 HIS A 17 -0.185 -19.259 -2.126 1.00 0.00 N ATOM 0 H HIS A 17 3.664 -16.418 -2.726 1.00 0.00 H new ATOM 0 HA HIS A 17 2.309 -16.325 -0.121 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.968 -18.480 -1.517 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.192 -18.681 0.042 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.316 -18.751 -0.053 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.231 -19.532 -4.211 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.172 -19.512 -2.073 1.00 0.00 H new ATOM 269 N GLY A 18 5.470 -15.757 -0.539 1.00 0.00 N ATOM 270 CA GLY A 18 6.727 -15.350 0.096 1.00 0.00 C ATOM 271 C GLY A 18 6.617 -14.017 0.833 1.00 0.00 C ATOM 272 O GLY A 18 5.505 -13.531 1.093 1.00 0.00 O ATOM 0 H GLY A 18 5.448 -15.597 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.040 -16.123 0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.505 -15.276 -0.664 1.00 0.00 H new ATOM 276 N GLN A 19 7.776 -13.426 1.179 1.00 0.00 N ATOM 277 CA GLN A 19 7.844 -12.157 1.931 1.00 0.00 C ATOM 278 C GLN A 19 7.463 -10.967 1.025 1.00 0.00 C ATOM 279 O GLN A 19 8.314 -10.336 0.387 1.00 0.00 O ATOM 280 CB GLN A 19 9.246 -11.975 2.597 1.00 0.00 C ATOM 281 CG GLN A 19 9.465 -12.788 3.899 1.00 0.00 C ATOM 282 CD GLN A 19 9.310 -14.306 3.747 1.00 0.00 C ATOM 283 OE1 GLN A 19 10.268 -15.008 3.442 1.00 0.00 O ATOM 284 NE2 GLN A 19 8.100 -14.817 3.948 1.00 0.00 N ATOM 0 H GLN A 19 8.690 -13.813 0.946 1.00 0.00 H new ATOM 0 HA GLN A 19 7.114 -12.191 2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.013 -12.259 1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.392 -10.918 2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.465 -12.576 4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.758 -12.439 4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.324 -14.206 4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.947 -15.821 3.850 1.00 0.00 H new ATOM 293 N GLY A 20 6.147 -10.729 0.957 1.00 0.00 N ATOM 294 CA GLY A 20 5.559 -9.642 0.198 1.00 0.00 C ATOM 295 C GLY A 20 4.123 -9.433 0.633 1.00 0.00 C ATOM 296 O GLY A 20 3.416 -10.405 0.924 1.00 0.00 O ATOM 0 H GLY A 20 5.457 -11.303 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.132 -8.727 0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.597 -9.868 -0.868 1.00 0.00 H new ATOM 300 N LEU A 21 3.681 -8.173 0.670 1.00 0.00 N ATOM 301 CA LEU A 21 2.375 -7.800 1.236 1.00 0.00 C ATOM 302 C LEU A 21 1.279 -7.833 0.153 1.00 0.00 C ATOM 303 O LEU A 21 1.519 -7.466 -1.002 1.00 0.00 O ATOM 304 CB LEU A 21 2.469 -6.402 1.898 1.00 0.00 C ATOM 305 CG LEU A 21 1.196 -5.900 2.638 1.00 0.00 C ATOM 306 CD1 LEU A 21 0.683 -6.939 3.667 1.00 0.00 C ATOM 307 CD2 LEU A 21 1.468 -4.537 3.301 1.00 0.00 C ATOM 0 H LEU A 21 4.215 -7.382 0.310 1.00 0.00 H new ATOM 0 HA LEU A 21 2.100 -8.527 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.295 -6.416 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.725 -5.675 1.127 1.00 0.00 H new ATOM 0 HG LEU A 21 0.404 -5.771 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.207 -6.551 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.437 -7.868 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.458 -7.129 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.569 -4.197 3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.281 -4.638 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.746 -3.810 2.538 1.00 0.00 H new ATOM 319 N ARG A 22 0.078 -8.288 0.560 1.00 0.00 N ATOM 320 CA ARG A 22 -1.077 -8.484 -0.329 1.00 0.00 C ATOM 321 C ARG A 22 -2.055 -7.306 -0.214 1.00 0.00 C ATOM 322 O ARG A 22 -2.320 -6.807 0.889 1.00 0.00 O ATOM 323 CB ARG A 22 -1.776 -9.827 0.015 1.00 0.00 C ATOM 324 CG ARG A 22 -0.875 -11.064 -0.210 1.00 0.00 C ATOM 325 CD ARG A 22 -1.575 -12.380 0.158 1.00 0.00 C ATOM 326 NE ARG A 22 -0.725 -13.551 -0.129 1.00 0.00 N ATOM 327 CZ ARG A 22 -0.759 -14.716 0.536 1.00 0.00 C ATOM 328 NH1 ARG A 22 -1.518 -14.864 1.618 1.00 0.00 N ATOM 329 NH2 ARG A 22 -0.010 -15.724 0.127 1.00 0.00 N ATOM 0 H ARG A 22 -0.117 -8.533 1.531 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.731 -8.525 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.096 -9.805 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.675 -9.926 -0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.568 -11.100 -1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.032 -10.961 0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.835 -12.370 1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.509 -12.463 -0.398 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.057 -13.468 -0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.085 -14.085 1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.533 -15.756 2.112 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.590 -15.615 -0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.032 -16.612 0.629 1.00 0.00 H new ATOM 343 N PHE A 23 -2.585 -6.878 -1.370 1.00 0.00 N ATOM 344 CA PHE A 23 -3.455 -5.700 -1.478 1.00 0.00 C ATOM 345 C PHE A 23 -4.386 -5.827 -2.705 1.00 0.00 C ATOM 346 O PHE A 23 -3.928 -6.039 -3.838 1.00 0.00 O ATOM 347 CB PHE A 23 -2.600 -4.398 -1.539 1.00 0.00 C ATOM 348 CG PHE A 23 -1.538 -4.350 -2.652 1.00 0.00 C ATOM 349 CD1 PHE A 23 -0.305 -4.994 -2.506 1.00 0.00 C ATOM 350 CD2 PHE A 23 -1.762 -3.637 -3.836 1.00 0.00 C ATOM 351 CE1 PHE A 23 0.658 -4.932 -3.501 1.00 0.00 C ATOM 352 CE2 PHE A 23 -0.798 -3.575 -4.823 1.00 0.00 C ATOM 353 CZ PHE A 23 0.413 -4.217 -4.655 1.00 0.00 C ATOM 0 H PHE A 23 -2.420 -7.344 -2.262 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.085 -5.643 -0.590 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.272 -3.549 -1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.100 -4.268 -0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.100 -5.549 -1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.703 -3.128 -3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.600 -5.444 -3.373 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.992 -3.022 -5.730 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.167 -4.159 -5.426 1.00 0.00 H new ATOM 363 N ALA A 24 -5.699 -5.772 -2.434 1.00 0.00 N ATOM 364 CA ALA A 24 -6.760 -5.701 -3.451 1.00 0.00 C ATOM 365 C ALA A 24 -7.103 -4.227 -3.740 1.00 0.00 C ATOM 366 O ALA A 24 -6.952 -3.377 -2.858 1.00 0.00 O ATOM 367 CB ALA A 24 -8.004 -6.464 -2.957 1.00 0.00 C ATOM 0 H ALA A 24 -6.061 -5.776 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.414 -6.164 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.788 -6.410 -3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.744 -7.507 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.362 -6.016 -2.030 1.00 0.00 H new ATOM 373 N ALA A 25 -7.586 -3.946 -4.967 1.00 0.00 N ATOM 374 CA ALA A 25 -7.881 -2.574 -5.440 1.00 0.00 C ATOM 375 C ALA A 25 -8.975 -1.895 -4.591 1.00 0.00 C ATOM 376 O ALA A 25 -10.064 -2.455 -4.425 1.00 0.00 O ATOM 377 CB ALA A 25 -8.301 -2.604 -6.914 1.00 0.00 C ATOM 0 H ALA A 25 -7.784 -4.666 -5.662 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.969 -1.986 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.516 -1.590 -7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.493 -3.023 -7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.193 -3.220 -7.026 1.00 0.00 H new ATOM 383 N GLY A 26 -8.657 -0.703 -4.046 1.00 0.00 N ATOM 384 CA GLY A 26 -9.602 0.102 -3.261 1.00 0.00 C ATOM 385 C GLY A 26 -9.208 0.237 -1.796 1.00 0.00 C ATOM 386 O GLY A 26 -9.651 1.169 -1.113 1.00 0.00 O ATOM 0 H GLY A 26 -7.736 -0.275 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.676 1.096 -3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.592 -0.349 -3.323 1.00 0.00 H new ATOM 390 N GLU A 27 -8.361 -0.686 -1.312 1.00 0.00 N ATOM 391 CA GLU A 27 -7.934 -0.720 0.101 1.00 0.00 C ATOM 392 C GLU A 27 -6.958 0.427 0.444 1.00 0.00 C ATOM 393 O GLU A 27 -6.115 0.824 -0.376 1.00 0.00 O ATOM 394 CB GLU A 27 -7.303 -2.094 0.446 1.00 0.00 C ATOM 395 CG GLU A 27 -8.248 -3.290 0.229 1.00 0.00 C ATOM 396 CD GLU A 27 -7.636 -4.632 0.660 1.00 0.00 C ATOM 397 OE1 GLU A 27 -6.483 -4.910 0.277 1.00 0.00 O ATOM 398 OE2 GLU A 27 -8.302 -5.416 1.382 1.00 0.00 O ATOM 0 H GLU A 27 -7.954 -1.426 -1.883 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.826 -0.577 0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.410 -2.235 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.981 -2.083 1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.169 -3.123 0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.519 -3.344 -0.825 1.00 0.00 H new ATOM 405 N LEU A 28 -7.118 0.956 1.670 1.00 0.00 N ATOM 406 CA LEU A 28 -6.294 2.043 2.219 1.00 0.00 C ATOM 407 C LEU A 28 -5.008 1.476 2.839 1.00 0.00 C ATOM 408 O LEU A 28 -5.061 0.787 3.865 1.00 0.00 O ATOM 409 CB LEU A 28 -7.090 2.865 3.286 1.00 0.00 C ATOM 410 CG LEU A 28 -8.097 3.932 2.760 1.00 0.00 C ATOM 411 CD1 LEU A 28 -7.378 4.991 1.911 1.00 0.00 C ATOM 412 CD2 LEU A 28 -9.275 3.289 2.007 1.00 0.00 C ATOM 0 H LEU A 28 -7.837 0.633 2.317 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.028 2.712 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.640 2.162 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.369 3.369 3.930 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.525 4.439 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.101 5.725 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.622 5.491 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.900 4.510 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.952 4.068 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.897 2.727 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.811 2.616 2.676 1.00 0.00 H new ATOM 424 N ILE A 29 -3.864 1.760 2.200 1.00 0.00 N ATOM 425 CA ILE A 29 -2.538 1.393 2.712 1.00 0.00 C ATOM 426 C ILE A 29 -1.978 2.542 3.567 1.00 0.00 C ATOM 427 O ILE A 29 -1.838 3.673 3.079 1.00 0.00 O ATOM 428 CB ILE A 29 -1.546 1.062 1.534 1.00 0.00 C ATOM 429 CG1 ILE A 29 -2.093 -0.126 0.667 1.00 0.00 C ATOM 430 CG2 ILE A 29 -0.119 0.775 2.064 1.00 0.00 C ATOM 431 CD1 ILE A 29 -2.330 -1.431 1.418 1.00 0.00 C ATOM 0 H ILE A 29 -3.834 2.254 1.308 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.641 0.499 3.326 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.478 1.939 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.032 0.184 0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.389 -0.316 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.542 0.550 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.254 1.650 2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.148 -0.077 2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.707 -2.185 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.392 -1.775 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.060 -1.267 2.210 1.00 0.00 H new ATOM 443 N THR A 30 -1.690 2.247 4.844 1.00 0.00 N ATOM 444 CA THR A 30 -1.087 3.210 5.766 1.00 0.00 C ATOM 445 C THR A 30 0.438 3.166 5.599 1.00 0.00 C ATOM 446 O THR A 30 1.088 2.224 6.072 1.00 0.00 O ATOM 447 CB THR A 30 -1.466 2.875 7.255 1.00 0.00 C ATOM 448 OG1 THR A 30 -2.896 2.720 7.376 1.00 0.00 O ATOM 449 CG2 THR A 30 -0.974 3.955 8.249 1.00 0.00 C ATOM 0 H THR A 30 -1.870 1.334 5.262 1.00 0.00 H new ATOM 0 HA THR A 30 -1.464 4.206 5.536 1.00 0.00 H new ATOM 0 HB THR A 30 -0.964 1.942 7.512 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.125 2.510 8.305 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.262 3.675 9.262 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.111 4.037 8.189 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.425 4.915 7.996 1.00 0.00 H new ATOM 457 N LEU A 31 0.995 4.184 4.912 1.00 0.00 N ATOM 458 CA LEU A 31 2.446 4.362 4.792 1.00 0.00 C ATOM 459 C LEU A 31 2.989 4.823 6.151 1.00 0.00 C ATOM 460 O LEU A 31 2.736 5.955 6.589 1.00 0.00 O ATOM 461 CB LEU A 31 2.824 5.366 3.663 1.00 0.00 C ATOM 462 CG LEU A 31 2.364 4.996 2.208 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.772 6.105 1.208 1.00 0.00 C ATOM 464 CD2 LEU A 31 2.894 3.603 1.771 1.00 0.00 C ATOM 0 H LEU A 31 0.450 4.899 4.429 1.00 0.00 H new ATOM 0 HA LEU A 31 2.899 3.411 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.402 6.338 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.908 5.481 3.658 1.00 0.00 H new ATOM 0 HG LEU A 31 1.276 4.929 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.444 5.830 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.304 7.046 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.856 6.221 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.553 3.385 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.984 3.605 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.517 2.840 2.453 1.00 0.00 H new ATOM 476 N LEU A 32 3.687 3.899 6.824 1.00 0.00 N ATOM 477 CA LEU A 32 4.275 4.117 8.147 1.00 0.00 C ATOM 478 C LEU A 32 5.527 4.986 8.015 1.00 0.00 C ATOM 479 O LEU A 32 5.692 5.978 8.733 1.00 0.00 O ATOM 480 CB LEU A 32 4.643 2.745 8.769 1.00 0.00 C ATOM 481 CG LEU A 32 3.464 1.737 8.929 1.00 0.00 C ATOM 482 CD1 LEU A 32 3.979 0.345 9.353 1.00 0.00 C ATOM 483 CD2 LEU A 32 2.389 2.281 9.903 1.00 0.00 C ATOM 0 H LEU A 32 3.860 2.964 6.456 1.00 0.00 H new ATOM 0 HA LEU A 32 3.559 4.627 8.792 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.412 2.281 8.151 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.084 2.918 9.750 1.00 0.00 H new ATOM 0 HG LEU A 32 2.984 1.621 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.136 -0.338 9.457 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.664 -0.036 8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.501 0.425 10.306 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.580 1.556 9.994 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.837 2.449 10.882 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.992 3.221 9.519 1.00 0.00 H new ATOM 495 N GLN A 33 6.398 4.604 7.067 1.00 0.00 N ATOM 496 CA GLN A 33 7.677 5.281 6.826 1.00 0.00 C ATOM 497 C GLN A 33 7.792 5.678 5.350 1.00 0.00 C ATOM 498 O GLN A 33 7.447 4.892 4.450 1.00 0.00 O ATOM 499 CB GLN A 33 8.860 4.360 7.241 1.00 0.00 C ATOM 500 CG GLN A 33 8.860 3.987 8.740 1.00 0.00 C ATOM 501 CD GLN A 33 10.033 3.113 9.182 1.00 0.00 C ATOM 502 OE1 GLN A 33 11.134 3.182 8.629 1.00 0.00 O ATOM 503 NE2 GLN A 33 9.810 2.291 10.202 1.00 0.00 N ATOM 0 H GLN A 33 6.231 3.813 6.445 1.00 0.00 H new ATOM 0 HA GLN A 33 7.718 6.186 7.432 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.823 3.446 6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.799 4.858 7.000 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.867 4.904 9.328 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.930 3.467 8.971 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.888 2.257 10.638 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.560 1.694 10.549 1.00 0.00 H new ATOM 512 N VAL A 34 8.277 6.903 5.117 1.00 0.00 N ATOM 513 CA VAL A 34 8.535 7.447 3.783 1.00 0.00 C ATOM 514 C VAL A 34 10.065 7.688 3.623 1.00 0.00 C ATOM 515 O VAL A 34 10.573 8.737 4.030 1.00 0.00 O ATOM 516 CB VAL A 34 7.670 8.759 3.508 1.00 0.00 C ATOM 517 CG1 VAL A 34 6.173 8.396 3.279 1.00 0.00 C ATOM 518 CG2 VAL A 34 7.805 9.813 4.652 1.00 0.00 C ATOM 0 H VAL A 34 8.505 7.555 5.867 1.00 0.00 H new ATOM 0 HA VAL A 34 8.221 6.727 3.027 1.00 0.00 H new ATOM 0 HB VAL A 34 8.068 9.214 2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.602 9.306 3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.087 7.732 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.780 7.896 4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.197 10.686 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.464 9.377 5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.848 10.113 4.749 1.00 0.00 H new ATOM 528 N PRO A 35 10.839 6.666 3.090 1.00 0.00 N ATOM 529 CA PRO A 35 12.322 6.758 2.930 1.00 0.00 C ATOM 530 C PRO A 35 12.764 7.992 2.100 1.00 0.00 C ATOM 531 O PRO A 35 13.627 8.774 2.531 1.00 0.00 O ATOM 532 CB PRO A 35 12.700 5.422 2.225 1.00 0.00 C ATOM 533 CG PRO A 35 11.579 4.484 2.561 1.00 0.00 C ATOM 534 CD PRO A 35 10.338 5.342 2.617 1.00 0.00 C ATOM 0 HA PRO A 35 12.827 6.893 3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.795 5.556 1.147 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.656 5.041 2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.482 3.702 1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.756 3.987 3.515 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.862 5.421 1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.596 4.928 3.300 1.00 0.00 H new ATOM 542 N ASP A 36 12.126 8.161 0.932 1.00 0.00 N ATOM 543 CA ASP A 36 12.379 9.289 0.018 1.00 0.00 C ATOM 544 C ASP A 36 11.227 9.394 -1.001 1.00 0.00 C ATOM 545 O ASP A 36 10.290 10.181 -0.818 1.00 0.00 O ATOM 546 CB ASP A 36 13.757 9.123 -0.692 1.00 0.00 C ATOM 547 CG ASP A 36 14.065 10.237 -1.714 1.00 0.00 C ATOM 548 OD1 ASP A 36 14.476 11.341 -1.301 1.00 0.00 O ATOM 549 OD2 ASP A 36 13.907 10.006 -2.933 1.00 0.00 O ATOM 0 H ASP A 36 11.414 7.515 0.591 1.00 0.00 H new ATOM 0 HA ASP A 36 12.419 10.216 0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.544 9.105 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.780 8.159 -1.200 1.00 0.00 H new ATOM 554 N GLY A 37 11.271 8.532 -2.028 1.00 0.00 N ATOM 555 CA GLY A 37 10.329 8.583 -3.142 1.00 0.00 C ATOM 556 C GLY A 37 10.297 7.272 -3.911 1.00 0.00 C ATOM 557 O GLY A 37 11.309 6.557 -3.968 1.00 0.00 O ATOM 0 H GLY A 37 11.961 7.784 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.331 8.808 -2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.606 9.394 -3.816 1.00 0.00 H new ATOM 561 N GLY A 38 9.132 6.944 -4.490 1.00 0.00 N ATOM 562 CA GLY A 38 8.965 5.728 -5.282 1.00 0.00 C ATOM 563 C GLY A 38 8.489 4.546 -4.452 1.00 0.00 C ATOM 564 O GLY A 38 7.413 3.999 -4.698 1.00 0.00 O ATOM 0 H GLY A 38 8.288 7.513 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.249 5.916 -6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.913 5.475 -5.756 1.00 0.00 H new ATOM 568 N TRP A 39 9.301 4.147 -3.461 1.00 0.00 N ATOM 569 CA TRP A 39 9.062 2.924 -2.672 1.00 0.00 C ATOM 570 C TRP A 39 8.931 3.282 -1.186 1.00 0.00 C ATOM 571 O TRP A 39 9.935 3.482 -0.494 1.00 0.00 O ATOM 572 CB TRP A 39 10.224 1.915 -2.880 1.00 0.00 C ATOM 573 CG TRP A 39 10.588 1.686 -4.331 1.00 0.00 C ATOM 574 CD1 TRP A 39 11.608 2.279 -5.026 1.00 0.00 C ATOM 575 CD2 TRP A 39 9.918 0.826 -5.261 1.00 0.00 C ATOM 576 NE1 TRP A 39 11.611 1.834 -6.321 1.00 0.00 N ATOM 577 CE2 TRP A 39 10.586 0.941 -6.490 1.00 0.00 C ATOM 578 CE3 TRP A 39 8.822 -0.032 -5.169 1.00 0.00 C ATOM 579 CZ2 TRP A 39 10.201 0.225 -7.619 1.00 0.00 C ATOM 580 CZ3 TRP A 39 8.434 -0.738 -6.291 1.00 0.00 C ATOM 581 CH2 TRP A 39 9.122 -0.608 -7.501 1.00 0.00 C ATOM 0 H TRP A 39 10.138 4.659 -3.183 1.00 0.00 H new ATOM 0 HA TRP A 39 8.135 2.460 -3.009 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.104 2.276 -2.348 1.00 0.00 H new ATOM 0 HB3 TRP A 39 9.948 0.961 -2.430 1.00 0.00 H new ATOM 0 HD1 TRP A 39 12.307 2.992 -4.614 1.00 0.00 H new ATOM 0 HE1 TRP A 39 12.271 2.121 -7.044 1.00 0.00 H new ATOM 0 HE3 TRP A 39 8.287 -0.142 -4.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.734 0.323 -8.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.584 -1.402 -6.232 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.795 -1.176 -8.359 1.00 0.00 H new ATOM 592 N TRP A 40 7.690 3.366 -0.698 1.00 0.00 N ATOM 593 CA TRP A 40 7.412 3.716 0.704 1.00 0.00 C ATOM 594 C TRP A 40 6.826 2.502 1.424 1.00 0.00 C ATOM 595 O TRP A 40 6.079 1.716 0.826 1.00 0.00 O ATOM 596 CB TRP A 40 6.440 4.918 0.787 1.00 0.00 C ATOM 597 CG TRP A 40 6.889 6.129 0.004 1.00 0.00 C ATOM 598 CD1 TRP A 40 7.959 6.933 0.261 1.00 0.00 C ATOM 599 CD2 TRP A 40 6.267 6.666 -1.166 1.00 0.00 C ATOM 600 NE1 TRP A 40 8.022 7.947 -0.652 1.00 0.00 N ATOM 601 CE2 TRP A 40 6.998 7.800 -1.547 1.00 0.00 C ATOM 602 CE3 TRP A 40 5.155 6.296 -1.916 1.00 0.00 C ATOM 603 CZ2 TRP A 40 6.651 8.574 -2.643 1.00 0.00 C ATOM 604 CZ3 TRP A 40 4.819 7.054 -3.011 1.00 0.00 C ATOM 605 CH2 TRP A 40 5.564 8.185 -3.367 1.00 0.00 C ATOM 0 H TRP A 40 6.853 3.195 -1.256 1.00 0.00 H new ATOM 0 HA TRP A 40 8.344 4.006 1.189 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.461 4.606 0.423 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.316 5.200 1.833 1.00 0.00 H new ATOM 0 HD1 TRP A 40 8.658 6.789 1.072 1.00 0.00 H new ATOM 0 HE1 TRP A 40 8.719 8.692 -0.664 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.569 5.431 -1.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.220 9.451 -2.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.964 6.773 -3.608 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.271 8.761 -4.233 1.00 0.00 H new ATOM 616 N GLU A 41 7.149 2.367 2.717 1.00 0.00 N ATOM 617 CA GLU A 41 6.761 1.205 3.513 1.00 0.00 C ATOM 618 C GLU A 41 5.406 1.460 4.170 1.00 0.00 C ATOM 619 O GLU A 41 5.260 2.367 5.001 1.00 0.00 O ATOM 620 CB GLU A 41 7.830 0.918 4.594 1.00 0.00 C ATOM 621 CG GLU A 41 9.217 0.549 4.040 1.00 0.00 C ATOM 622 CD GLU A 41 10.216 0.234 5.163 1.00 0.00 C ATOM 623 OE1 GLU A 41 10.819 1.178 5.709 1.00 0.00 O ATOM 624 OE2 GLU A 41 10.371 -0.957 5.527 1.00 0.00 O ATOM 0 H GLU A 41 7.686 3.062 3.236 1.00 0.00 H new ATOM 0 HA GLU A 41 6.683 0.336 2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.930 1.797 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.478 0.104 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.127 -0.315 3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.598 1.372 3.436 1.00 0.00 H new ATOM 631 N GLY A 42 4.441 0.631 3.786 1.00 0.00 N ATOM 632 CA GLY A 42 3.097 0.663 4.313 1.00 0.00 C ATOM 633 C GLY A 42 2.670 -0.710 4.766 1.00 0.00 C ATOM 634 O GLY A 42 3.105 -1.714 4.194 1.00 0.00 O ATOM 0 H GLY A 42 4.583 -0.095 3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.045 1.360 5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.410 1.030 3.550 1.00 0.00 H new ATOM 638 N GLU A 43 1.818 -0.760 5.800 1.00 0.00 N ATOM 639 CA GLU A 43 1.322 -2.023 6.360 1.00 0.00 C ATOM 640 C GLU A 43 -0.110 -2.269 5.893 1.00 0.00 C ATOM 641 O GLU A 43 -0.801 -1.360 5.417 1.00 0.00 O ATOM 642 CB GLU A 43 1.429 -2.032 7.925 1.00 0.00 C ATOM 643 CG GLU A 43 0.610 -0.950 8.686 1.00 0.00 C ATOM 644 CD GLU A 43 -0.898 -1.249 8.821 1.00 0.00 C ATOM 645 OE1 GLU A 43 -1.249 -2.342 9.322 1.00 0.00 O ATOM 646 OE2 GLU A 43 -1.725 -0.401 8.435 1.00 0.00 O ATOM 0 H GLU A 43 1.455 0.070 6.269 1.00 0.00 H new ATOM 0 HA GLU A 43 1.947 -2.838 5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.113 -3.012 8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.479 -1.917 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.032 -0.831 9.684 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.731 0.004 8.173 1.00 0.00 H new ATOM 653 N LYS A 44 -0.506 -3.526 5.990 1.00 0.00 N ATOM 654 CA LYS A 44 -1.878 -3.987 5.800 1.00 0.00 C ATOM 655 C LYS A 44 -2.192 -4.926 6.985 1.00 0.00 C ATOM 656 O LYS A 44 -1.272 -5.525 7.569 1.00 0.00 O ATOM 657 CB LYS A 44 -1.984 -4.689 4.413 1.00 0.00 C ATOM 658 CG LYS A 44 -3.354 -4.669 3.698 1.00 0.00 C ATOM 659 CD LYS A 44 -4.414 -5.574 4.360 1.00 0.00 C ATOM 660 CE LYS A 44 -5.602 -5.839 3.440 1.00 0.00 C ATOM 661 NZ LYS A 44 -5.171 -6.522 2.189 1.00 0.00 N ATOM 0 H LYS A 44 0.139 -4.284 6.211 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.607 -3.177 5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.253 -4.229 3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.688 -5.730 4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.727 -3.645 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.218 -4.982 2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.955 -6.522 4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.766 -5.106 5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.337 -6.454 3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.092 -4.897 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.400 -5.923 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.145 -6.688 2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.666 -7.432 2.102 1.00 0.00 H new ATOM 675 N GLU A 45 -3.485 -5.080 7.315 1.00 0.00 N ATOM 676 CA GLU A 45 -3.964 -5.956 8.411 1.00 0.00 C ATOM 677 C GLU A 45 -3.728 -7.482 8.156 1.00 0.00 C ATOM 678 O GLU A 45 -4.184 -8.318 8.946 1.00 0.00 O ATOM 679 CB GLU A 45 -5.466 -5.680 8.690 1.00 0.00 C ATOM 680 CG GLU A 45 -6.412 -5.891 7.485 1.00 0.00 C ATOM 681 CD GLU A 45 -7.898 -5.795 7.865 1.00 0.00 C ATOM 682 OE1 GLU A 45 -8.458 -4.675 7.882 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.517 -6.840 8.171 1.00 0.00 O ATOM 0 H GLU A 45 -4.239 -4.597 6.827 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.365 -5.706 9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.792 -6.327 9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.571 -4.652 9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.189 -5.147 6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.218 -6.869 7.044 1.00 0.00 H new ATOM 690 N ASP A 46 -3.018 -7.830 7.068 1.00 0.00 N ATOM 691 CA ASP A 46 -2.517 -9.203 6.828 1.00 0.00 C ATOM 692 C ASP A 46 -1.418 -9.592 7.847 1.00 0.00 C ATOM 693 O ASP A 46 -1.078 -10.778 7.980 1.00 0.00 O ATOM 694 CB ASP A 46 -1.953 -9.344 5.380 1.00 0.00 C ATOM 695 CG ASP A 46 -3.021 -9.236 4.278 1.00 0.00 C ATOM 696 OD1 ASP A 46 -3.984 -10.027 4.302 1.00 0.00 O ATOM 697 OD2 ASP A 46 -2.895 -8.383 3.372 1.00 0.00 O ATOM 0 H ASP A 46 -2.773 -7.171 6.329 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.363 -9.879 6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.200 -8.573 5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.449 -10.306 5.290 1.00 0.00 H new ATOM 702 N GLY A 47 -0.855 -8.586 8.551 1.00 0.00 N ATOM 703 CA GLY A 47 0.200 -8.817 9.549 1.00 0.00 C ATOM 704 C GLY A 47 1.597 -8.553 8.990 1.00 0.00 C ATOM 705 O GLY A 47 2.567 -8.439 9.746 1.00 0.00 O ATOM 0 H GLY A 47 -1.117 -7.606 8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.029 -8.172 10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.142 -9.846 9.904 1.00 0.00 H new ATOM 709 N LEU A 48 1.700 -8.472 7.650 1.00 0.00 N ATOM 710 CA LEU A 48 2.951 -8.146 6.947 1.00 0.00 C ATOM 711 C LEU A 48 2.991 -6.646 6.607 1.00 0.00 C ATOM 712 O LEU A 48 1.960 -5.950 6.631 1.00 0.00 O ATOM 713 CB LEU A 48 3.077 -8.994 5.641 1.00 0.00 C ATOM 714 CG LEU A 48 3.081 -10.550 5.808 1.00 0.00 C ATOM 715 CD1 LEU A 48 3.125 -11.264 4.432 1.00 0.00 C ATOM 716 CD2 LEU A 48 4.237 -11.019 6.723 1.00 0.00 C ATOM 0 H LEU A 48 0.912 -8.632 7.023 1.00 0.00 H new ATOM 0 HA LEU A 48 3.790 -8.384 7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.253 -8.725 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.998 -8.704 5.135 1.00 0.00 H new ATOM 0 HG LEU A 48 2.146 -10.829 6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.127 -12.344 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.250 -10.980 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.029 -10.970 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.209 -12.105 6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.190 -10.716 6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.127 -10.567 7.709 1.00 0.00 H new ATOM 728 N ARG A 49 4.198 -6.170 6.297 1.00 0.00 N ATOM 729 CA ARG A 49 4.446 -4.836 5.738 1.00 0.00 C ATOM 730 C ARG A 49 5.126 -5.025 4.375 1.00 0.00 C ATOM 731 O ARG A 49 5.750 -6.071 4.132 1.00 0.00 O ATOM 732 CB ARG A 49 5.351 -4.008 6.695 1.00 0.00 C ATOM 733 CG ARG A 49 5.549 -2.521 6.291 1.00 0.00 C ATOM 734 CD ARG A 49 6.573 -1.776 7.171 1.00 0.00 C ATOM 735 NE ARG A 49 7.962 -2.240 6.945 1.00 0.00 N ATOM 736 CZ ARG A 49 8.674 -3.027 7.769 1.00 0.00 C ATOM 737 NH1 ARG A 49 8.137 -3.517 8.886 1.00 0.00 N ATOM 738 NH2 ARG A 49 9.931 -3.321 7.463 1.00 0.00 N ATOM 0 H ARG A 49 5.052 -6.712 6.430 1.00 0.00 H new ATOM 0 HA ARG A 49 3.510 -4.289 5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.922 -4.042 7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.329 -4.487 6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.874 -2.475 5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.590 -2.006 6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.513 -0.707 6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.314 -1.915 8.221 1.00 0.00 H new ATOM 0 HE ARG A 49 8.419 -1.934 6.086 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.171 -3.296 9.127 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.692 -4.113 9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.348 -2.950 6.609 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.480 -3.918 8.082 1.00 0.00 H new ATOM 752 N GLY A 50 4.997 -4.032 3.490 1.00 0.00 N ATOM 753 CA GLY A 50 5.649 -4.067 2.186 1.00 0.00 C ATOM 754 C GLY A 50 5.980 -2.679 1.669 1.00 0.00 C ATOM 755 O GLY A 50 5.441 -1.676 2.154 1.00 0.00 O ATOM 0 H GLY A 50 4.443 -3.192 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.565 -4.654 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.000 -4.573 1.471 1.00 0.00 H new ATOM 759 N TRP A 51 6.899 -2.628 0.698 1.00 0.00 N ATOM 760 CA TRP A 51 7.225 -1.412 -0.068 1.00 0.00 C ATOM 761 C TRP A 51 6.289 -1.345 -1.286 1.00 0.00 C ATOM 762 O TRP A 51 6.120 -2.339 -2.009 1.00 0.00 O ATOM 763 CB TRP A 51 8.741 -1.394 -0.474 1.00 0.00 C ATOM 764 CG TRP A 51 9.327 -2.753 -0.832 1.00 0.00 C ATOM 765 CD1 TRP A 51 9.940 -3.628 0.030 1.00 0.00 C ATOM 766 CD2 TRP A 51 9.349 -3.394 -2.122 1.00 0.00 C ATOM 767 NE1 TRP A 51 10.333 -4.755 -0.643 1.00 0.00 N ATOM 768 CE2 TRP A 51 9.981 -4.638 -1.957 1.00 0.00 C ATOM 769 CE3 TRP A 51 8.892 -3.036 -3.395 1.00 0.00 C ATOM 770 CZ2 TRP A 51 10.172 -5.523 -3.017 1.00 0.00 C ATOM 771 CZ3 TRP A 51 9.078 -3.915 -4.445 1.00 0.00 C ATOM 772 CH2 TRP A 51 9.713 -5.147 -4.249 1.00 0.00 C ATOM 0 H TRP A 51 7.447 -3.440 0.415 1.00 0.00 H new ATOM 0 HA TRP A 51 7.068 -0.524 0.544 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.866 -0.725 -1.326 1.00 0.00 H new ATOM 0 HB3 TRP A 51 9.317 -0.972 0.349 1.00 0.00 H new ATOM 0 HD1 TRP A 51 10.091 -3.453 1.085 1.00 0.00 H new ATOM 0 HE1 TRP A 51 10.812 -5.554 -0.228 1.00 0.00 H new ATOM 0 HE3 TRP A 51 8.401 -2.087 -3.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.665 -6.472 -2.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 8.728 -3.648 -5.431 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.843 -5.814 -5.088 1.00 0.00 H new ATOM 783 N PHE A 52 5.650 -0.187 -1.480 1.00 0.00 N ATOM 784 CA PHE A 52 4.612 0.004 -2.514 1.00 0.00 C ATOM 785 C PHE A 52 5.133 0.886 -3.664 1.00 0.00 C ATOM 786 O PHE A 52 5.811 1.892 -3.403 1.00 0.00 O ATOM 787 CB PHE A 52 3.321 0.606 -1.879 1.00 0.00 C ATOM 788 CG PHE A 52 2.546 -0.411 -1.048 1.00 0.00 C ATOM 789 CD1 PHE A 52 2.939 -0.725 0.252 1.00 0.00 C ATOM 790 CD2 PHE A 52 1.453 -1.088 -1.586 1.00 0.00 C ATOM 791 CE1 PHE A 52 2.265 -1.677 0.985 1.00 0.00 C ATOM 792 CE2 PHE A 52 0.785 -2.047 -0.853 1.00 0.00 C ATOM 793 CZ PHE A 52 1.189 -2.340 0.431 1.00 0.00 C ATOM 0 H PHE A 52 5.834 0.650 -0.926 1.00 0.00 H new ATOM 0 HA PHE A 52 4.362 -0.969 -2.937 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.592 1.453 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.677 0.990 -2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.784 -0.215 0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.125 -0.859 -2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.579 -1.904 1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.056 -2.569 -1.286 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.663 -3.089 1.004 1.00 0.00 H new ATOM 803 N PRO A 53 4.831 0.507 -4.960 1.00 0.00 N ATOM 804 CA PRO A 53 5.220 1.300 -6.143 1.00 0.00 C ATOM 805 C PRO A 53 4.349 2.572 -6.275 1.00 0.00 C ATOM 806 O PRO A 53 3.119 2.473 -6.351 1.00 0.00 O ATOM 807 CB PRO A 53 5.010 0.314 -7.342 1.00 0.00 C ATOM 808 CG PRO A 53 4.703 -1.023 -6.721 1.00 0.00 C ATOM 809 CD PRO A 53 4.097 -0.721 -5.373 1.00 0.00 C ATOM 0 HA PRO A 53 6.245 1.668 -6.090 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.193 0.645 -7.983 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.902 0.260 -7.966 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.012 -1.593 -7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.607 -1.623 -6.618 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.023 -0.549 -5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.245 -1.539 -4.668 1.00 0.00 H new ATOM 817 N ALA A 54 5.018 3.743 -6.327 1.00 0.00 N ATOM 818 CA ALA A 54 4.384 5.080 -6.276 1.00 0.00 C ATOM 819 C ALA A 54 3.354 5.302 -7.395 1.00 0.00 C ATOM 820 O ALA A 54 2.264 5.810 -7.148 1.00 0.00 O ATOM 821 CB ALA A 54 5.465 6.171 -6.350 1.00 0.00 C ATOM 0 H ALA A 54 6.034 3.788 -6.407 1.00 0.00 H new ATOM 0 HA ALA A 54 3.846 5.137 -5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.994 7.153 -6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.148 6.064 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.020 6.071 -7.283 1.00 0.00 H new ATOM 827 N SER A 55 3.727 4.915 -8.622 1.00 0.00 N ATOM 828 CA SER A 55 2.888 5.113 -9.823 1.00 0.00 C ATOM 829 C SER A 55 1.729 4.092 -9.867 1.00 0.00 C ATOM 830 O SER A 55 0.685 4.353 -10.476 1.00 0.00 O ATOM 831 CB SER A 55 3.764 5.005 -11.102 1.00 0.00 C ATOM 832 OG SER A 55 3.046 5.353 -12.280 1.00 0.00 O ATOM 0 H SER A 55 4.617 4.456 -8.815 1.00 0.00 H new ATOM 0 HA SER A 55 2.448 6.109 -9.778 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.631 5.658 -11.002 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.141 3.987 -11.197 1.00 0.00 H new ATOM 0 HG SER A 55 3.636 5.272 -13.058 1.00 0.00 H new ATOM 838 N TYR A 56 1.927 2.927 -9.210 1.00 0.00 N ATOM 839 CA TYR A 56 0.951 1.817 -9.209 1.00 0.00 C ATOM 840 C TYR A 56 -0.112 2.008 -8.099 1.00 0.00 C ATOM 841 O TYR A 56 -1.178 1.372 -8.133 1.00 0.00 O ATOM 842 CB TYR A 56 1.706 0.469 -9.039 1.00 0.00 C ATOM 843 CG TYR A 56 0.825 -0.780 -9.202 1.00 0.00 C ATOM 844 CD1 TYR A 56 0.266 -1.105 -10.442 1.00 0.00 C ATOM 845 CD2 TYR A 56 0.540 -1.622 -8.120 1.00 0.00 C ATOM 846 CE1 TYR A 56 -0.536 -2.219 -10.595 1.00 0.00 C ATOM 847 CE2 TYR A 56 -0.262 -2.734 -8.273 1.00 0.00 C ATOM 848 CZ TYR A 56 -0.798 -3.029 -9.509 1.00 0.00 C ATOM 849 OH TYR A 56 -1.602 -4.135 -9.655 1.00 0.00 O ATOM 0 H TYR A 56 2.768 2.731 -8.666 1.00 0.00 H new ATOM 0 HA TYR A 56 0.421 1.809 -10.161 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.515 0.425 -9.769 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.166 0.447 -8.051 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.465 -0.474 -11.295 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.955 -1.397 -7.149 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.957 -2.455 -11.561 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.470 -3.372 -7.427 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.177 -4.227 -8.867 1.00 0.00 H new ATOM 859 N VAL A 57 0.194 2.867 -7.106 1.00 0.00 N ATOM 860 CA VAL A 57 -0.768 3.261 -6.054 1.00 0.00 C ATOM 861 C VAL A 57 -1.198 4.731 -6.270 1.00 0.00 C ATOM 862 O VAL A 57 -0.425 5.540 -6.784 1.00 0.00 O ATOM 863 CB VAL A 57 -0.180 3.059 -4.596 1.00 0.00 C ATOM 864 CG1 VAL A 57 0.187 1.569 -4.348 1.00 0.00 C ATOM 865 CG2 VAL A 57 1.031 3.994 -4.316 1.00 0.00 C ATOM 0 H VAL A 57 1.110 3.306 -7.010 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.638 2.610 -6.135 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.963 3.339 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.588 1.456 -3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.705 0.952 -4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.936 1.253 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.399 3.819 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.825 3.785 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.718 5.034 -4.413 1.00 0.00 H new ATOM 875 N GLN A 58 -2.450 5.057 -5.919 1.00 0.00 N ATOM 876 CA GLN A 58 -2.965 6.438 -5.966 1.00 0.00 C ATOM 877 C GLN A 58 -2.652 7.143 -4.636 1.00 0.00 C ATOM 878 O GLN A 58 -3.168 6.749 -3.595 1.00 0.00 O ATOM 879 CB GLN A 58 -4.497 6.432 -6.216 1.00 0.00 C ATOM 880 CG GLN A 58 -5.140 7.830 -6.315 1.00 0.00 C ATOM 881 CD GLN A 58 -6.666 7.781 -6.364 1.00 0.00 C ATOM 882 OE1 GLN A 58 -7.327 7.830 -5.331 1.00 0.00 O ATOM 883 NE2 GLN A 58 -7.228 7.657 -7.555 1.00 0.00 N ATOM 0 H GLN A 58 -3.135 4.374 -5.595 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.483 6.973 -6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.698 5.888 -7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.981 5.881 -5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.828 8.429 -5.459 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.769 8.333 -7.208 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.646 7.620 -8.392 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.243 7.599 -7.636 1.00 0.00 H new ATOM 892 N LEU A 59 -1.809 8.176 -4.683 1.00 0.00 N ATOM 893 CA LEU A 59 -1.441 8.958 -3.493 1.00 0.00 C ATOM 894 C LEU A 59 -2.579 9.920 -3.119 1.00 0.00 C ATOM 895 O LEU A 59 -3.085 10.644 -3.981 1.00 0.00 O ATOM 896 CB LEU A 59 -0.127 9.738 -3.762 1.00 0.00 C ATOM 897 CG LEU A 59 1.101 8.863 -4.165 1.00 0.00 C ATOM 898 CD1 LEU A 59 2.351 9.740 -4.404 1.00 0.00 C ATOM 899 CD2 LEU A 59 1.366 7.750 -3.121 1.00 0.00 C ATOM 0 H LEU A 59 -1.362 8.496 -5.542 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.278 8.281 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.311 10.463 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.130 10.303 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 59 0.867 8.367 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.192 9.106 -4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.149 10.450 -5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.594 10.284 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.227 7.158 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.567 8.202 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.491 7.105 -3.047 1.00 0.00 H new ATOM 911 N LEU A 60 -3.001 9.892 -1.840 1.00 0.00 N ATOM 912 CA LEU A 60 -4.029 10.806 -1.315 1.00 0.00 C ATOM 913 C LEU A 60 -3.360 12.136 -0.899 1.00 0.00 C ATOM 914 O LEU A 60 -2.695 12.170 0.158 1.00 0.00 O ATOM 915 CB LEU A 60 -4.795 10.160 -0.122 1.00 0.00 C ATOM 916 CG LEU A 60 -5.617 8.873 -0.458 1.00 0.00 C ATOM 917 CD1 LEU A 60 -6.323 8.314 0.791 1.00 0.00 C ATOM 918 CD2 LEU A 60 -6.627 9.129 -1.596 1.00 0.00 C ATOM 919 OXT LEU A 60 -3.474 13.132 -1.647 1.00 0.00 O ATOM 0 H LEU A 60 -2.640 9.238 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.764 11.007 -2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.074 9.915 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.474 10.904 0.294 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.910 8.120 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.885 7.420 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.579 8.061 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.005 9.065 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.181 8.214 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.322 9.914 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.093 9.441 -2.493 1.00 0.00 H new TER 931 LEU A 60