USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 878 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+ -173:sc= 0.151! (180deg=-0.326!) USER MOD Single : A 2 THR OG1 : rot -143:sc= 0.319 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -130:sc= -1.85! (180deg=-3.73!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.265 USER MOD Single : A 17 LYS NZ :NH3+ -127:sc= 0.556 (180deg=0.238) USER MOD Single : A 19 GLN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : A 25 SER OG : rot -53:sc= 0.962 USER MOD Single : A 35 HIS : no HE2:sc= -0.284 K(o=-0.28,f=-4.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 2.16 K(o=2.2,f=-3.1!) USER MOD Single : A 43 GLN : amide:sc= 0.509 K(o=0.51,f=-0.22) USER MOD Single : A 45 THR OG1 : rot 77:sc= 1.15 USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= 0.709 (180deg=-0.153) USER MOD Single : A 53 GLN : amide:sc= -2.22! X(o=-2.2!,f=-1.7) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 126:sc= 0.719 (180deg=-0.848) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0488 USER MOD Single : A 83 HIS : no HD1:sc=-0.00901 X(o=-0.009,f=-0.1) USER MOD Single : A 85 TYR OH : rot 165:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -130:sc= 0.382 USER MOD Single : A 108 GLN : amide:sc= -0.0354 K(o=-0.035,f=-0.58) USER MOD Single : A 112 HIS : no HE2:sc= -1.03 K(o=-1,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.385 -7.491 13.525 1.00 0.00 N ATOM 2 CA MET A 1 8.291 -6.363 13.882 1.00 0.00 C ATOM 3 C MET A 1 8.824 -5.647 12.628 1.00 0.00 C ATOM 4 O MET A 1 10.020 -5.360 12.528 1.00 0.00 O ATOM 5 CB MET A 1 9.461 -6.884 14.734 1.00 0.00 C ATOM 6 CG MET A 1 9.028 -7.497 16.059 1.00 0.00 C ATOM 7 SD MET A 1 7.908 -8.891 15.835 1.00 0.00 S ATOM 8 CE MET A 1 7.534 -9.305 17.539 1.00 0.00 C ATOM 0 H1 MET A 1 6.952 -7.875 14.389 1.00 0.00 H new ATOM 0 H2 MET A 1 6.639 -7.148 12.886 1.00 0.00 H new ATOM 0 H3 MET A 1 7.931 -8.238 13.050 1.00 0.00 H new ATOM 0 HA MET A 1 7.717 -5.637 14.458 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.012 -7.630 14.161 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.149 -6.062 14.932 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.909 -7.827 16.609 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.539 -6.735 16.667 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.849 -10.153 17.566 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.455 -9.566 18.061 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.070 -8.448 18.028 1.00 0.00 H new ATOM 20 N THR A 2 7.932 -5.336 11.682 1.00 0.00 N ATOM 21 CA THR A 2 8.334 -4.659 10.435 1.00 0.00 C ATOM 22 C THR A 2 7.181 -3.858 9.805 1.00 0.00 C ATOM 23 O THR A 2 6.021 -3.990 10.208 1.00 0.00 O ATOM 24 CB THR A 2 8.884 -5.658 9.391 1.00 0.00 C ATOM 25 OG1 THR A 2 9.218 -4.973 8.175 1.00 0.00 O ATOM 26 CG2 THR A 2 7.878 -6.765 9.097 1.00 0.00 C ATOM 0 H THR A 2 6.935 -5.538 11.750 1.00 0.00 H new ATOM 0 HA THR A 2 9.125 -3.965 10.719 1.00 0.00 H new ATOM 0 HB THR A 2 9.782 -6.113 9.809 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.999 -5.543 7.408 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.296 -7.450 8.359 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.658 -7.310 10.015 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.959 -6.327 8.706 1.00 0.00 H new ATOM 34 N LEU A 3 7.514 -3.041 8.801 1.00 0.00 N ATOM 35 CA LEU A 3 6.554 -2.115 8.176 1.00 0.00 C ATOM 36 C LEU A 3 6.418 -2.363 6.661 1.00 0.00 C ATOM 37 O LEU A 3 7.415 -2.503 5.950 1.00 0.00 O ATOM 38 CB LEU A 3 7.003 -0.662 8.409 1.00 0.00 C ATOM 39 CG LEU A 3 7.195 -0.244 9.877 1.00 0.00 C ATOM 40 CD1 LEU A 3 7.708 1.194 9.969 1.00 0.00 C ATOM 41 CD2 LEU A 3 5.894 -0.406 10.658 1.00 0.00 C ATOM 0 H LEU A 3 8.450 -3.000 8.398 1.00 0.00 H new ATOM 0 HA LEU A 3 5.583 -2.291 8.638 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.943 -0.504 7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.267 0.002 7.956 1.00 0.00 H new ATOM 0 HG LEU A 3 7.943 -0.899 10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.836 1.468 11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.665 1.273 9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.989 1.867 9.503 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.052 -0.105 11.694 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.121 0.220 10.212 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.579 -1.449 10.627 1.00 0.00 H new ATOM 53 N ILE A 4 5.179 -2.390 6.175 1.00 0.00 N ATOM 54 CA ILE A 4 4.895 -2.546 4.743 1.00 0.00 C ATOM 55 C ILE A 4 4.077 -1.359 4.205 1.00 0.00 C ATOM 56 O ILE A 4 3.199 -0.830 4.890 1.00 0.00 O ATOM 57 CB ILE A 4 4.138 -3.868 4.457 1.00 0.00 C ATOM 58 CG1 ILE A 4 2.867 -3.963 5.324 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.053 -5.067 4.696 1.00 0.00 C ATOM 60 CD1 ILE A 4 2.082 -5.242 5.131 1.00 0.00 C ATOM 0 H ILE A 4 4.345 -2.305 6.756 1.00 0.00 H new ATOM 0 HA ILE A 4 5.856 -2.575 4.230 1.00 0.00 H new ATOM 0 HB ILE A 4 3.833 -3.875 3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.149 -3.877 6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.221 -3.115 5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.507 -5.988 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.917 -5.003 4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.389 -5.067 5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.204 -5.231 5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.767 -5.322 4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.709 -6.096 5.387 1.00 0.00 H new ATOM 72 N TYR A 5 4.374 -0.938 2.976 1.00 0.00 N ATOM 73 CA TYR A 5 3.728 0.240 2.380 1.00 0.00 C ATOM 74 C TYR A 5 3.064 -0.080 1.031 1.00 0.00 C ATOM 75 O TYR A 5 3.553 -0.909 0.260 1.00 0.00 O ATOM 76 CB TYR A 5 4.759 1.362 2.181 1.00 0.00 C ATOM 77 CG TYR A 5 5.380 1.875 3.469 1.00 0.00 C ATOM 78 CD1 TYR A 5 6.426 1.192 4.083 1.00 0.00 C ATOM 79 CD2 TYR A 5 4.927 3.048 4.065 1.00 0.00 C ATOM 80 CE1 TYR A 5 6.998 1.662 5.251 1.00 0.00 C ATOM 81 CE2 TYR A 5 5.494 3.522 5.233 1.00 0.00 C ATOM 82 CZ TYR A 5 6.529 2.827 5.820 1.00 0.00 C ATOM 83 OH TYR A 5 7.098 3.302 6.981 1.00 0.00 O ATOM 0 H TYR A 5 5.057 -1.393 2.370 1.00 0.00 H new ATOM 0 HA TYR A 5 2.949 0.561 3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.553 0.999 1.528 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.279 2.194 1.666 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.797 0.280 3.640 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.118 3.598 3.607 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.808 1.119 5.715 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.128 4.433 5.683 1.00 0.00 H new ATOM 0 HH TYR A 5 6.652 4.133 7.248 1.00 0.00 H new ATOM 93 N LYS A 6 1.942 0.587 0.760 1.00 0.00 N ATOM 94 CA LYS A 6 1.290 0.519 -0.556 1.00 0.00 C ATOM 95 C LYS A 6 0.862 1.914 -1.032 1.00 0.00 C ATOM 96 O LYS A 6 0.171 2.638 -0.316 1.00 0.00 O ATOM 97 CB LYS A 6 0.058 -0.399 -0.528 1.00 0.00 C ATOM 98 CG LYS A 6 -0.653 -0.500 -1.883 1.00 0.00 C ATOM 99 CD LYS A 6 -1.962 -1.283 -1.797 1.00 0.00 C ATOM 100 CE LYS A 6 -2.660 -1.383 -3.155 1.00 0.00 C ATOM 101 NZ LYS A 6 -3.054 -0.050 -3.697 1.00 0.00 N ATOM 0 H LYS A 6 1.462 1.183 1.434 1.00 0.00 H new ATOM 0 HA LYS A 6 2.023 0.107 -1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.363 -1.396 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.646 -0.029 0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.857 0.503 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.009 -0.982 -2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.761 -2.285 -1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.628 -0.799 -1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.997 -1.878 -3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.547 -2.008 -3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.052 -0.075 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.925 0.675 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.460 0.180 -4.519 1.00 0.00 H new ATOM 115 N ILE A 7 1.277 2.282 -2.240 1.00 0.00 N ATOM 116 CA ILE A 7 0.846 3.538 -2.859 1.00 0.00 C ATOM 117 C ILE A 7 -0.383 3.308 -3.753 1.00 0.00 C ATOM 118 O ILE A 7 -0.440 2.331 -4.503 1.00 0.00 O ATOM 119 CB ILE A 7 1.986 4.167 -3.702 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.237 4.383 -2.832 1.00 0.00 C ATOM 121 CG2 ILE A 7 1.531 5.485 -4.333 1.00 0.00 C ATOM 122 CD1 ILE A 7 4.429 4.926 -3.597 1.00 0.00 C ATOM 0 H ILE A 7 1.913 1.729 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 7 0.583 4.226 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 7 2.240 3.478 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.991 5.072 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.515 3.436 -2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.346 5.908 -4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.675 5.301 -4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.247 6.186 -3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.271 5.052 -2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.702 4.228 -4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.171 5.889 -4.037 1.00 0.00 H new ATOM 134 N LEU A 8 -1.370 4.192 -3.650 1.00 0.00 N ATOM 135 CA LEU A 8 -2.580 4.112 -4.481 1.00 0.00 C ATOM 136 C LEU A 8 -3.253 5.483 -4.602 1.00 0.00 C ATOM 137 O LEU A 8 -2.838 6.444 -3.956 1.00 0.00 O ATOM 138 CB LEU A 8 -3.580 3.087 -3.905 1.00 0.00 C ATOM 139 CG LEU A 8 -4.200 3.422 -2.530 1.00 0.00 C ATOM 140 CD1 LEU A 8 -5.305 2.427 -2.184 1.00 0.00 C ATOM 141 CD2 LEU A 8 -3.143 3.433 -1.430 1.00 0.00 C ATOM 0 H LEU A 8 -1.361 4.977 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.275 3.782 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.391 2.962 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.074 2.125 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.630 4.421 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.730 2.679 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.085 2.471 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.890 1.420 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.613 3.672 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.673 2.452 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.387 4.183 -1.660 1.00 0.00 H new ATOM 153 N SER A 9 -4.283 5.577 -5.436 1.00 0.00 N ATOM 154 CA SER A 9 -5.040 6.827 -5.576 1.00 0.00 C ATOM 155 C SER A 9 -6.003 7.013 -4.396 1.00 0.00 C ATOM 156 O SER A 9 -6.478 6.035 -3.809 1.00 0.00 O ATOM 157 CB SER A 9 -5.837 6.841 -6.891 1.00 0.00 C ATOM 158 OG SER A 9 -6.898 5.895 -6.864 1.00 0.00 O ATOM 0 H SER A 9 -4.615 4.812 -6.023 1.00 0.00 H new ATOM 0 HA SER A 9 -4.323 7.648 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.241 7.839 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.171 6.619 -7.725 1.00 0.00 H new ATOM 0 HG SER A 9 -7.388 5.928 -7.712 1.00 0.00 H new ATOM 164 N ARG A 10 -6.291 8.266 -4.049 1.00 0.00 N ATOM 165 CA ARG A 10 -7.232 8.568 -2.963 1.00 0.00 C ATOM 166 C ARG A 10 -8.602 7.913 -3.219 1.00 0.00 C ATOM 167 O ARG A 10 -9.244 7.396 -2.300 1.00 0.00 O ATOM 168 CB ARG A 10 -7.399 10.091 -2.804 1.00 0.00 C ATOM 169 CG ARG A 10 -8.323 10.492 -1.654 1.00 0.00 C ATOM 170 CD ARG A 10 -7.724 10.148 -0.292 1.00 0.00 C ATOM 171 NE ARG A 10 -8.743 10.095 0.749 1.00 0.00 N ATOM 172 CZ ARG A 10 -8.570 10.483 1.980 1.00 0.00 C ATOM 173 NH1 ARG A 10 -7.443 10.994 2.370 1.00 0.00 N ATOM 174 NH2 ARG A 10 -9.535 10.340 2.830 1.00 0.00 N ATOM 0 H ARG A 10 -5.890 9.088 -4.500 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.822 8.157 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.419 10.540 -2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.791 10.504 -3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.520 11.563 -1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.282 9.986 -1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.214 9.186 -0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.972 10.891 -0.027 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.659 9.727 0.494 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.674 11.098 1.708 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.326 11.292 3.338 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.419 9.927 2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.412 10.640 3.797 1.00 0.00 H new ATOM 188 N ALA A 11 -9.033 7.930 -4.479 1.00 0.00 N ATOM 189 CA ALA A 11 -10.316 7.338 -4.874 1.00 0.00 C ATOM 190 C ALA A 11 -10.339 5.814 -4.663 1.00 0.00 C ATOM 191 O ALA A 11 -11.336 5.263 -4.195 1.00 0.00 O ATOM 192 CB ALA A 11 -10.623 7.678 -6.328 1.00 0.00 C ATOM 0 H ALA A 11 -8.512 8.349 -5.249 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.087 7.764 -4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.577 7.234 -6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.677 8.760 -6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.834 7.283 -6.968 1.00 0.00 H new ATOM 198 N GLU A 12 -9.245 5.134 -5.018 1.00 0.00 N ATOM 199 CA GLU A 12 -9.139 3.683 -4.812 1.00 0.00 C ATOM 200 C GLU A 12 -9.256 3.333 -3.322 1.00 0.00 C ATOM 201 O GLU A 12 -9.969 2.400 -2.939 1.00 0.00 O ATOM 202 CB GLU A 12 -7.805 3.151 -5.367 1.00 0.00 C ATOM 203 CG GLU A 12 -7.622 1.642 -5.199 1.00 0.00 C ATOM 204 CD GLU A 12 -6.296 1.134 -5.753 1.00 0.00 C ATOM 205 OE1 GLU A 12 -6.116 1.161 -6.989 1.00 0.00 O ATOM 206 OE2 GLU A 12 -5.425 0.709 -4.959 1.00 0.00 O ATOM 0 H GLU A 12 -8.424 5.560 -5.447 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.960 3.209 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.738 3.400 -6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.984 3.665 -4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.687 1.390 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.440 1.125 -5.700 1.00 0.00 H new ATOM 213 N TRP A 13 -8.561 4.103 -2.488 1.00 0.00 N ATOM 214 CA TRP A 13 -8.531 3.864 -1.046 1.00 0.00 C ATOM 215 C TRP A 13 -9.916 4.032 -0.399 1.00 0.00 C ATOM 216 O TRP A 13 -10.477 3.076 0.132 1.00 0.00 O ATOM 217 CB TRP A 13 -7.514 4.801 -0.380 1.00 0.00 C ATOM 218 CG TRP A 13 -7.451 4.660 1.113 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.520 5.666 2.028 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.321 3.443 1.864 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.429 5.155 3.298 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.309 3.796 3.225 1.00 0.00 C ATOM 223 CE3 TRP A 13 -7.209 2.091 1.518 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.190 2.850 4.239 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -7.093 1.153 2.526 1.00 0.00 C ATOM 226 CH2 TRP A 13 -7.086 1.538 3.873 1.00 0.00 C ATOM 0 H TRP A 13 -8.006 4.904 -2.789 1.00 0.00 H new ATOM 0 HA TRP A 13 -8.228 2.828 -0.892 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.526 4.605 -0.797 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.766 5.832 -0.628 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.630 6.713 1.789 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.448 5.702 4.159 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -7.213 1.787 0.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.180 3.143 5.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -7.006 0.107 2.272 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -6.996 0.781 4.638 1.00 0.00 H new ATOM 237 N ASP A 14 -10.464 5.247 -0.445 1.00 0.00 N ATOM 238 CA ASP A 14 -11.761 5.538 0.183 1.00 0.00 C ATOM 239 C ASP A 14 -12.902 4.671 -0.381 1.00 0.00 C ATOM 240 O ASP A 14 -13.862 4.361 0.334 1.00 0.00 O ATOM 241 CB ASP A 14 -12.080 7.032 0.058 1.00 0.00 C ATOM 242 CG ASP A 14 -11.222 7.857 1.003 1.00 0.00 C ATOM 243 OD1 ASP A 14 -9.989 7.757 0.921 1.00 0.00 O ATOM 244 OD2 ASP A 14 -11.773 8.592 1.853 1.00 0.00 O ATOM 0 H ASP A 14 -10.034 6.047 -0.909 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.680 5.280 1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.912 7.358 -0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.134 7.201 0.278 1.00 0.00 H new ATOM 249 N ALA A 15 -12.789 4.269 -1.647 1.00 0.00 N ATOM 250 CA ALA A 15 -13.757 3.344 -2.250 1.00 0.00 C ATOM 251 C ALA A 15 -13.718 1.972 -1.556 1.00 0.00 C ATOM 252 O ALA A 15 -14.755 1.403 -1.210 1.00 0.00 O ATOM 253 CB ALA A 15 -13.485 3.186 -3.741 1.00 0.00 C ATOM 0 H ALA A 15 -12.042 4.566 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.753 3.766 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.211 2.497 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.569 4.156 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.479 2.792 -3.888 1.00 0.00 H new ATOM 259 N ALA A 16 -12.512 1.441 -1.364 1.00 0.00 N ATOM 260 CA ALA A 16 -12.331 0.179 -0.637 1.00 0.00 C ATOM 261 C ALA A 16 -12.585 0.364 0.868 1.00 0.00 C ATOM 262 O ALA A 16 -13.034 -0.553 1.553 1.00 0.00 O ATOM 263 CB ALA A 16 -10.928 -0.369 -0.876 1.00 0.00 C ATOM 0 H ALA A 16 -11.645 1.861 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.060 -0.538 -1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.805 -1.305 -0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.784 -0.547 -1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.191 0.353 -0.526 1.00 0.00 H new ATOM 269 N LYS A 17 -12.300 1.568 1.363 1.00 0.00 N ATOM 270 CA LYS A 17 -12.480 1.918 2.778 1.00 0.00 C ATOM 271 C LYS A 17 -13.926 1.671 3.235 1.00 0.00 C ATOM 272 O LYS A 17 -14.166 0.999 4.237 1.00 0.00 O ATOM 273 CB LYS A 17 -12.094 3.391 2.988 1.00 0.00 C ATOM 274 CG LYS A 17 -12.097 3.852 4.445 1.00 0.00 C ATOM 275 CD LYS A 17 -11.809 5.353 4.566 1.00 0.00 C ATOM 276 CE LYS A 17 -10.453 5.726 3.978 1.00 0.00 C ATOM 277 NZ LYS A 17 -10.226 7.199 3.971 1.00 0.00 N ATOM 0 H LYS A 17 -11.936 2.333 0.795 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.833 1.281 3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.100 3.555 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.784 4.017 2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.065 3.630 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.349 3.292 5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.592 5.914 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.841 5.644 5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.664 5.242 4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.384 5.345 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.964 7.505 3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.097 7.686 4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.458 7.435 4.631 1.00 0.00 H new ATOM 291 N ALA A 18 -14.882 2.202 2.475 1.00 0.00 N ATOM 292 CA ALA A 18 -16.305 1.996 2.760 1.00 0.00 C ATOM 293 C ALA A 18 -16.683 0.508 2.677 1.00 0.00 C ATOM 294 O ALA A 18 -17.512 0.015 3.447 1.00 0.00 O ATOM 295 CB ALA A 18 -17.150 2.816 1.794 1.00 0.00 C ATOM 0 H ALA A 18 -14.699 2.780 1.655 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.501 2.329 3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.207 2.659 2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.910 3.873 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.939 2.504 0.771 1.00 0.00 H new ATOM 301 N GLN A 19 -16.057 -0.201 1.738 1.00 0.00 N ATOM 302 CA GLN A 19 -16.272 -1.643 1.571 1.00 0.00 C ATOM 303 C GLN A 19 -15.619 -2.450 2.700 1.00 0.00 C ATOM 304 O GLN A 19 -16.018 -3.581 2.978 1.00 0.00 O ATOM 305 CB GLN A 19 -15.702 -2.109 0.224 1.00 0.00 C ATOM 306 CG GLN A 19 -16.439 -1.543 -0.978 1.00 0.00 C ATOM 307 CD GLN A 19 -15.812 -1.945 -2.304 1.00 0.00 C ATOM 308 OE1 GLN A 19 -16.155 -2.973 -2.884 1.00 0.00 O ATOM 309 NE2 GLN A 19 -14.893 -1.137 -2.796 1.00 0.00 N ATOM 0 H GLN A 19 -15.393 0.200 1.076 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.348 -1.817 1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.652 -1.821 0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.737 -3.198 0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -17.475 -1.882 -0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.458 -0.456 -0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.632 -0.292 -2.288 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.443 -1.357 -3.684 1.00 0.00 H new ATOM 318 N GLY A 20 -14.595 -1.876 3.324 1.00 0.00 N ATOM 319 CA GLY A 20 -13.860 -2.577 4.370 1.00 0.00 C ATOM 320 C GLY A 20 -12.894 -3.630 3.827 1.00 0.00 C ATOM 321 O GLY A 20 -12.044 -4.139 4.558 1.00 0.00 O ATOM 0 H GLY A 20 -14.257 -0.934 3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.301 -1.851 4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.570 -3.058 5.044 1.00 0.00 H new ATOM 325 N ARG A 21 -13.010 -3.944 2.536 1.00 0.00 N ATOM 326 CA ARG A 21 -12.193 -4.993 1.912 1.00 0.00 C ATOM 327 C ARG A 21 -11.423 -4.470 0.685 1.00 0.00 C ATOM 328 O ARG A 21 -11.928 -3.638 -0.071 1.00 0.00 O ATOM 329 CB ARG A 21 -13.094 -6.170 1.494 1.00 0.00 C ATOM 330 CG ARG A 21 -12.443 -7.115 0.484 1.00 0.00 C ATOM 331 CD ARG A 21 -13.391 -8.214 0.015 1.00 0.00 C ATOM 332 NE ARG A 21 -12.894 -8.863 -1.198 1.00 0.00 N ATOM 333 CZ ARG A 21 -12.734 -10.148 -1.346 1.00 0.00 C ATOM 334 NH1 ARG A 21 -13.031 -10.970 -0.389 1.00 0.00 N ATOM 335 NH2 ARG A 21 -12.285 -10.604 -2.468 1.00 0.00 N ATOM 0 H ARG A 21 -13.662 -3.487 1.899 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.460 -5.324 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.371 -6.737 2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.016 -5.776 1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.103 -6.541 -0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.560 -7.569 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.510 -8.956 0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.377 -7.790 -0.175 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.654 -8.264 -1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.395 -10.614 0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.900 -11.973 -0.519 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.060 -9.960 -3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.156 -11.608 -2.595 1.00 0.00 H new ATOM 349 N PHE A 22 -10.200 -4.974 0.486 1.00 0.00 N ATOM 350 CA PHE A 22 -9.425 -4.669 -0.721 1.00 0.00 C ATOM 351 C PHE A 22 -8.502 -5.844 -1.103 1.00 0.00 C ATOM 352 O PHE A 22 -7.535 -6.146 -0.403 1.00 0.00 O ATOM 353 CB PHE A 22 -8.600 -3.390 -0.517 1.00 0.00 C ATOM 354 CG PHE A 22 -7.921 -2.912 -1.774 1.00 0.00 C ATOM 355 CD1 PHE A 22 -8.666 -2.362 -2.809 1.00 0.00 C ATOM 356 CD2 PHE A 22 -6.547 -3.015 -1.927 1.00 0.00 C ATOM 357 CE1 PHE A 22 -8.055 -1.926 -3.966 1.00 0.00 C ATOM 358 CE2 PHE A 22 -5.932 -2.580 -3.082 1.00 0.00 C ATOM 359 CZ PHE A 22 -6.686 -2.034 -4.103 1.00 0.00 C ATOM 0 H PHE A 22 -9.727 -5.593 1.144 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.127 -4.511 -1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.252 -2.601 -0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.846 -3.571 0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.738 -2.275 -2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.952 -3.441 -1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.647 -1.501 -4.763 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.861 -2.666 -3.189 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.205 -1.692 -5.007 1.00 0.00 H new ATOM 369 N GLU A 23 -8.807 -6.509 -2.218 1.00 0.00 N ATOM 370 CA GLU A 23 -8.001 -7.650 -2.686 1.00 0.00 C ATOM 371 C GLU A 23 -6.959 -7.223 -3.734 1.00 0.00 C ATOM 372 O GLU A 23 -6.153 -8.035 -4.186 1.00 0.00 O ATOM 373 CB GLU A 23 -8.896 -8.768 -3.264 1.00 0.00 C ATOM 374 CG GLU A 23 -9.721 -8.365 -4.488 1.00 0.00 C ATOM 375 CD GLU A 23 -10.922 -7.500 -4.140 1.00 0.00 C ATOM 376 OE1 GLU A 23 -11.973 -8.058 -3.765 1.00 0.00 O ATOM 377 OE2 GLU A 23 -10.823 -6.258 -4.236 1.00 0.00 O ATOM 0 H GLU A 23 -9.602 -6.283 -2.816 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.471 -8.037 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.266 -9.616 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.575 -9.110 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.082 -7.825 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.065 -9.264 -4.999 1.00 0.00 H new ATOM 384 N GLY A 24 -6.986 -5.949 -4.120 1.00 0.00 N ATOM 385 CA GLY A 24 -6.025 -5.438 -5.094 1.00 0.00 C ATOM 386 C GLY A 24 -6.677 -4.980 -6.395 1.00 0.00 C ATOM 387 O GLY A 24 -7.902 -4.994 -6.527 1.00 0.00 O ATOM 0 H GLY A 24 -7.655 -5.259 -3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.480 -4.603 -4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.293 -6.215 -5.315 1.00 0.00 H new ATOM 391 N SER A 25 -5.855 -4.560 -7.352 1.00 0.00 N ATOM 392 CA SER A 25 -6.340 -4.132 -8.673 1.00 0.00 C ATOM 393 C SER A 25 -6.150 -5.254 -9.700 1.00 0.00 C ATOM 394 O SER A 25 -5.614 -6.315 -9.377 1.00 0.00 O ATOM 395 CB SER A 25 -5.577 -2.882 -9.141 1.00 0.00 C ATOM 396 OG SER A 25 -4.212 -3.184 -9.398 1.00 0.00 O ATOM 0 H SER A 25 -4.842 -4.504 -7.242 1.00 0.00 H new ATOM 0 HA SER A 25 -7.401 -3.898 -8.588 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.041 -2.485 -10.044 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.644 -2.105 -8.380 1.00 0.00 H new ATOM 0 HG SER A 25 -3.818 -3.615 -8.611 1.00 0.00 H new ATOM 402 N ALA A 26 -6.569 -5.013 -10.945 1.00 0.00 N ATOM 403 CA ALA A 26 -6.379 -5.991 -12.027 1.00 0.00 C ATOM 404 C ALA A 26 -4.906 -6.429 -12.128 1.00 0.00 C ATOM 405 O ALA A 26 -4.600 -7.544 -12.559 1.00 0.00 O ATOM 406 CB ALA A 26 -6.859 -5.415 -13.356 1.00 0.00 C ATOM 0 H ALA A 26 -7.040 -4.155 -11.231 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.975 -6.873 -11.793 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.711 -6.151 -14.146 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.918 -5.167 -13.284 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.291 -4.514 -13.589 1.00 0.00 H new ATOM 412 N VAL A 27 -3.997 -5.543 -11.717 1.00 0.00 N ATOM 413 CA VAL A 27 -2.566 -5.858 -11.676 1.00 0.00 C ATOM 414 C VAL A 27 -2.260 -6.902 -10.589 1.00 0.00 C ATOM 415 O VAL A 27 -1.655 -7.937 -10.862 1.00 0.00 O ATOM 416 CB VAL A 27 -1.719 -4.588 -11.418 1.00 0.00 C ATOM 417 CG1 VAL A 27 -0.228 -4.922 -11.402 1.00 0.00 C ATOM 418 CG2 VAL A 27 -2.029 -3.515 -12.462 1.00 0.00 C ATOM 0 H VAL A 27 -4.226 -4.599 -11.407 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.301 -6.269 -12.650 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.983 -4.194 -10.437 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.346 -4.014 -11.219 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.026 -5.645 -10.612 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.060 -5.346 -12.364 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.424 -2.630 -12.265 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.799 -3.897 -13.456 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.085 -3.252 -12.410 1.00 0.00 H new ATOM 428 N ASP A 28 -2.703 -6.631 -9.361 1.00 0.00 N ATOM 429 CA ASP A 28 -2.496 -7.552 -8.234 1.00 0.00 C ATOM 430 C ASP A 28 -3.124 -8.930 -8.521 1.00 0.00 C ATOM 431 O ASP A 28 -2.541 -9.974 -8.217 1.00 0.00 O ATOM 432 CB ASP A 28 -3.091 -6.944 -6.959 1.00 0.00 C ATOM 433 CG ASP A 28 -2.511 -5.570 -6.662 1.00 0.00 C ATOM 434 OD1 ASP A 28 -2.912 -4.595 -7.340 1.00 0.00 O ATOM 435 OD2 ASP A 28 -1.637 -5.458 -5.779 1.00 0.00 O ATOM 0 H ASP A 28 -3.209 -5.780 -9.117 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.425 -7.700 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.173 -6.866 -7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.900 -7.609 -6.116 1.00 0.00 H new ATOM 440 N LEU A 29 -4.312 -8.919 -9.127 1.00 0.00 N ATOM 441 CA LEU A 29 -4.984 -10.152 -9.559 1.00 0.00 C ATOM 442 C LEU A 29 -4.200 -10.858 -10.682 1.00 0.00 C ATOM 443 O LEU A 29 -4.295 -12.077 -10.844 1.00 0.00 O ATOM 444 CB LEU A 29 -6.424 -9.848 -10.020 1.00 0.00 C ATOM 445 CG LEU A 29 -7.476 -9.708 -8.897 1.00 0.00 C ATOM 446 CD1 LEU A 29 -7.615 -11.014 -8.121 1.00 0.00 C ATOM 447 CD2 LEU A 29 -7.136 -8.557 -7.950 1.00 0.00 C ATOM 0 H LEU A 29 -4.833 -8.067 -9.332 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.022 -10.826 -8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.412 -8.924 -10.598 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.744 -10.642 -10.695 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.432 -9.480 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.361 -10.893 -7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.928 -11.808 -8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.656 -11.275 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.897 -8.488 -7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.164 -8.739 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.104 -7.622 -8.510 1.00 0.00 H new ATOM 459 N ALA A 30 -3.432 -10.088 -11.456 1.00 0.00 N ATOM 460 CA ALA A 30 -2.560 -10.650 -12.500 1.00 0.00 C ATOM 461 C ALA A 30 -1.347 -11.368 -11.885 1.00 0.00 C ATOM 462 O ALA A 30 -1.006 -12.485 -12.282 1.00 0.00 O ATOM 463 CB ALA A 30 -2.098 -9.556 -13.458 1.00 0.00 C ATOM 0 H ALA A 30 -3.394 -9.071 -11.382 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.140 -11.384 -13.059 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.454 -9.990 -14.223 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.966 -9.097 -13.932 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.543 -8.798 -12.905 1.00 0.00 H new ATOM 469 N ASP A 31 -0.692 -10.711 -10.924 1.00 0.00 N ATOM 470 CA ASP A 31 0.407 -11.325 -10.166 1.00 0.00 C ATOM 471 C ASP A 31 -0.088 -12.512 -9.321 1.00 0.00 C ATOM 472 O ASP A 31 0.625 -13.505 -9.132 1.00 0.00 O ATOM 473 CB ASP A 31 1.070 -10.288 -9.248 1.00 0.00 C ATOM 474 CG ASP A 31 1.857 -9.242 -10.017 1.00 0.00 C ATOM 475 OD1 ASP A 31 3.014 -9.526 -10.394 1.00 0.00 O ATOM 476 OD2 ASP A 31 1.333 -8.131 -10.239 1.00 0.00 O ATOM 0 H ASP A 31 -0.903 -9.751 -10.650 1.00 0.00 H new ATOM 0 HA ASP A 31 1.136 -11.693 -10.888 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.303 -9.794 -8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.736 -10.798 -8.552 1.00 0.00 H new ATOM 481 N GLY A 32 -1.315 -12.401 -8.821 1.00 0.00 N ATOM 482 CA GLY A 32 -1.865 -13.412 -7.923 1.00 0.00 C ATOM 483 C GLY A 32 -1.641 -13.060 -6.460 1.00 0.00 C ATOM 484 O GLY A 32 -1.871 -13.877 -5.566 1.00 0.00 O ATOM 0 H GLY A 32 -1.945 -11.625 -9.021 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.933 -13.520 -8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.405 -14.376 -8.138 1.00 0.00 H new ATOM 488 N PHE A 33 -1.201 -11.830 -6.220 1.00 0.00 N ATOM 489 CA PHE A 33 -0.904 -11.354 -4.871 1.00 0.00 C ATOM 490 C PHE A 33 -0.797 -9.825 -4.836 1.00 0.00 C ATOM 491 O PHE A 33 -0.378 -9.200 -5.813 1.00 0.00 O ATOM 492 CB PHE A 33 0.400 -11.986 -4.346 1.00 0.00 C ATOM 493 CG PHE A 33 1.618 -11.733 -5.209 1.00 0.00 C ATOM 494 CD1 PHE A 33 2.347 -10.556 -5.088 1.00 0.00 C ATOM 495 CD2 PHE A 33 2.036 -12.676 -6.139 1.00 0.00 C ATOM 496 CE1 PHE A 33 3.460 -10.327 -5.874 1.00 0.00 C ATOM 497 CE2 PHE A 33 3.150 -12.450 -6.927 1.00 0.00 C ATOM 498 CZ PHE A 33 3.862 -11.275 -6.794 1.00 0.00 C ATOM 0 H PHE A 33 -1.040 -11.136 -6.950 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.728 -11.656 -4.224 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.596 -11.603 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.254 -13.062 -4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.039 -9.810 -4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.484 -13.598 -6.248 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.015 -9.407 -5.769 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.463 -13.193 -7.646 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.732 -11.097 -7.409 1.00 0.00 H new ATOM 508 N ILE A 34 -1.180 -9.229 -3.712 1.00 0.00 N ATOM 509 CA ILE A 34 -1.046 -7.787 -3.527 1.00 0.00 C ATOM 510 C ILE A 34 0.439 -7.380 -3.523 1.00 0.00 C ATOM 511 O ILE A 34 1.185 -7.694 -2.586 1.00 0.00 O ATOM 512 CB ILE A 34 -1.722 -7.320 -2.212 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.196 -7.769 -2.185 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.616 -5.800 -2.062 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.940 -7.377 -0.923 1.00 0.00 C ATOM 0 H ILE A 34 -1.585 -9.721 -2.916 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.550 -7.300 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.204 -7.780 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.711 -7.341 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.237 -8.853 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.096 -5.492 -1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.566 -5.509 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.110 -5.316 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.970 -7.730 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.452 -7.827 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.934 -6.292 -0.819 1.00 0.00 H new ATOM 527 N HIS A 35 0.867 -6.705 -4.586 1.00 0.00 N ATOM 528 CA HIS A 35 2.271 -6.305 -4.735 1.00 0.00 C ATOM 529 C HIS A 35 2.628 -5.117 -3.820 1.00 0.00 C ATOM 530 O HIS A 35 2.526 -3.952 -4.212 1.00 0.00 O ATOM 531 CB HIS A 35 2.593 -5.990 -6.208 1.00 0.00 C ATOM 532 CG HIS A 35 1.584 -5.108 -6.881 1.00 0.00 C ATOM 533 ND1 HIS A 35 1.434 -3.775 -6.583 1.00 0.00 N ATOM 534 CD2 HIS A 35 0.646 -5.387 -7.818 1.00 0.00 C ATOM 535 CE1 HIS A 35 0.453 -3.270 -7.303 1.00 0.00 C ATOM 536 NE2 HIS A 35 -0.051 -4.224 -8.062 1.00 0.00 N ATOM 0 H HIS A 35 0.265 -6.422 -5.359 1.00 0.00 H new ATOM 0 HA HIS A 35 2.889 -7.147 -4.422 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.571 -5.511 -6.260 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.667 -6.927 -6.761 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.996 -3.256 -5.908 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.476 -6.345 -8.287 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.117 -2.244 -7.276 1.00 0.00 H new ATOM 545 N LEU A 36 3.026 -5.431 -2.590 1.00 0.00 N ATOM 546 CA LEU A 36 3.434 -4.416 -1.615 1.00 0.00 C ATOM 547 C LEU A 36 4.910 -4.029 -1.795 1.00 0.00 C ATOM 548 O LEU A 36 5.633 -4.631 -2.594 1.00 0.00 O ATOM 549 CB LEU A 36 3.211 -4.942 -0.191 1.00 0.00 C ATOM 550 CG LEU A 36 1.763 -5.330 0.148 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.691 -5.982 1.525 1.00 0.00 C ATOM 552 CD2 LEU A 36 0.845 -4.109 0.079 1.00 0.00 C ATOM 0 H LEU A 36 3.076 -6.388 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 36 2.825 -3.527 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.848 -5.814 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.540 -4.180 0.516 1.00 0.00 H new ATOM 0 HG LEU A 36 1.421 -6.054 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.658 -6.250 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.309 -6.880 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.055 -5.283 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.175 -4.406 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.184 -3.358 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.871 -3.691 -0.927 1.00 0.00 H new ATOM 564 N SER A 37 5.352 -3.019 -1.052 1.00 0.00 N ATOM 565 CA SER A 37 6.753 -2.575 -1.095 1.00 0.00 C ATOM 566 C SER A 37 7.201 -2.019 0.261 1.00 0.00 C ATOM 567 O SER A 37 6.417 -1.404 0.983 1.00 0.00 O ATOM 568 CB SER A 37 6.952 -1.500 -2.179 1.00 0.00 C ATOM 569 OG SER A 37 6.659 -2.005 -3.474 1.00 0.00 O ATOM 0 H SER A 37 4.764 -2.488 -0.410 1.00 0.00 H new ATOM 0 HA SER A 37 7.363 -3.446 -1.336 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.310 -0.645 -1.967 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.981 -1.141 -2.152 1.00 0.00 H new ATOM 0 HG SER A 37 6.793 -1.298 -4.139 1.00 0.00 H new ATOM 575 N ALA A 38 8.463 -2.255 0.614 1.00 0.00 N ATOM 576 CA ALA A 38 9.047 -1.664 1.823 1.00 0.00 C ATOM 577 C ALA A 38 9.338 -0.171 1.601 1.00 0.00 C ATOM 578 O ALA A 38 9.384 0.285 0.461 1.00 0.00 O ATOM 579 CB ALA A 38 10.321 -2.410 2.214 1.00 0.00 C ATOM 0 H ALA A 38 9.101 -2.849 0.084 1.00 0.00 H new ATOM 0 HA ALA A 38 8.331 -1.756 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.744 -1.961 3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.085 -3.456 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.044 -2.346 1.401 1.00 0.00 H new ATOM 585 N GLY A 39 9.541 0.581 2.687 1.00 0.00 N ATOM 586 CA GLY A 39 9.775 2.029 2.583 1.00 0.00 C ATOM 587 C GLY A 39 10.778 2.416 1.493 1.00 0.00 C ATOM 588 O GLY A 39 10.519 3.311 0.685 1.00 0.00 O ATOM 0 H GLY A 39 9.549 0.218 3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.826 2.528 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.135 2.399 3.543 1.00 0.00 H new ATOM 592 N GLU A 40 11.915 1.727 1.472 1.00 0.00 N ATOM 593 CA GLU A 40 12.948 1.920 0.442 1.00 0.00 C ATOM 594 C GLU A 40 12.375 1.823 -0.990 1.00 0.00 C ATOM 595 O GLU A 40 12.567 2.719 -1.816 1.00 0.00 O ATOM 596 CB GLU A 40 14.054 0.870 0.639 1.00 0.00 C ATOM 597 CG GLU A 40 13.518 -0.552 0.822 1.00 0.00 C ATOM 598 CD GLU A 40 14.609 -1.593 1.016 1.00 0.00 C ATOM 599 OE1 GLU A 40 15.253 -1.590 2.086 1.00 0.00 O ATOM 600 OE2 GLU A 40 14.805 -2.429 0.111 1.00 0.00 O ATOM 0 H GLU A 40 12.153 1.018 2.165 1.00 0.00 H new ATOM 0 HA GLU A 40 13.353 2.925 0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.721 0.890 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.650 1.140 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.851 -0.572 1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.921 -0.821 -0.049 1.00 0.00 H new ATOM 607 N GLN A 41 11.652 0.741 -1.264 1.00 0.00 N ATOM 608 CA GLN A 41 11.118 0.469 -2.603 1.00 0.00 C ATOM 609 C GLN A 41 9.920 1.373 -2.921 1.00 0.00 C ATOM 610 O GLN A 41 9.699 1.751 -4.072 1.00 0.00 O ATOM 611 CB GLN A 41 10.699 -1.002 -2.692 1.00 0.00 C ATOM 612 CG GLN A 41 11.815 -1.983 -2.331 1.00 0.00 C ATOM 613 CD GLN A 41 11.352 -3.086 -1.394 1.00 0.00 C ATOM 614 OE1 GLN A 41 10.195 -3.493 -1.413 1.00 0.00 O ATOM 615 NE2 GLN A 41 12.243 -3.560 -0.552 1.00 0.00 N ATOM 0 H GLN A 41 11.419 0.029 -0.572 1.00 0.00 H new ATOM 0 HA GLN A 41 11.898 0.679 -3.335 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.851 -1.170 -2.028 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.357 -1.212 -3.705 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.208 -2.430 -3.244 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.635 -1.437 -1.864 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.197 -3.199 -0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.980 -4.288 0.112 1.00 0.00 H new ATOM 624 N ALA A 42 9.154 1.711 -1.887 1.00 0.00 N ATOM 625 CA ALA A 42 7.982 2.572 -2.031 1.00 0.00 C ATOM 626 C ALA A 42 8.377 3.964 -2.531 1.00 0.00 C ATOM 627 O ALA A 42 7.805 4.471 -3.497 1.00 0.00 O ATOM 628 CB ALA A 42 7.234 2.670 -0.704 1.00 0.00 C ATOM 0 H ALA A 42 9.326 1.399 -0.931 1.00 0.00 H new ATOM 0 HA ALA A 42 7.321 2.126 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.363 3.314 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.911 1.676 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.894 3.090 0.055 1.00 0.00 H new ATOM 634 N GLN A 43 9.375 4.570 -1.883 1.00 0.00 N ATOM 635 CA GLN A 43 9.834 5.906 -2.271 1.00 0.00 C ATOM 636 C GLN A 43 10.501 5.889 -3.655 1.00 0.00 C ATOM 637 O GLN A 43 10.277 6.790 -4.463 1.00 0.00 O ATOM 638 CB GLN A 43 10.788 6.492 -1.220 1.00 0.00 C ATOM 639 CG GLN A 43 11.067 7.979 -1.427 1.00 0.00 C ATOM 640 CD GLN A 43 11.915 8.596 -0.327 1.00 0.00 C ATOM 641 OE1 GLN A 43 12.760 7.942 0.272 1.00 0.00 O ATOM 642 NE2 GLN A 43 11.679 9.862 -0.040 1.00 0.00 N ATOM 0 H GLN A 43 9.877 4.161 -1.094 1.00 0.00 H new ATOM 0 HA GLN A 43 8.955 6.548 -2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.362 6.343 -0.228 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.730 5.944 -1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 43 11.571 8.116 -2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.119 8.513 -1.487 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.968 10.378 -0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.207 10.324 0.700 1.00 0.00 H new ATOM 651 N GLU A 44 11.311 4.862 -3.939 1.00 0.00 N ATOM 652 CA GLU A 44 11.900 4.715 -5.277 1.00 0.00 C ATOM 653 C GLU A 44 10.807 4.629 -6.352 1.00 0.00 C ATOM 654 O GLU A 44 10.828 5.373 -7.330 1.00 0.00 O ATOM 655 CB GLU A 44 12.817 3.486 -5.367 1.00 0.00 C ATOM 656 CG GLU A 44 14.151 3.647 -4.646 1.00 0.00 C ATOM 657 CD GLU A 44 15.194 2.654 -5.135 1.00 0.00 C ATOM 658 OE1 GLU A 44 15.759 2.875 -6.230 1.00 0.00 O ATOM 659 OE2 GLU A 44 15.444 1.642 -4.446 1.00 0.00 O ATOM 0 H GLU A 44 11.571 4.133 -3.275 1.00 0.00 H new ATOM 0 HA GLU A 44 12.506 5.603 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.294 2.625 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.009 3.266 -6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.521 4.662 -4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.001 3.515 -3.575 1.00 0.00 H new ATOM 666 N THR A 45 9.846 3.727 -6.159 1.00 0.00 N ATOM 667 CA THR A 45 8.699 3.608 -7.072 1.00 0.00 C ATOM 668 C THR A 45 7.958 4.944 -7.191 1.00 0.00 C ATOM 669 O THR A 45 7.511 5.334 -8.270 1.00 0.00 O ATOM 670 CB THR A 45 7.700 2.521 -6.602 1.00 0.00 C ATOM 671 OG1 THR A 45 8.376 1.263 -6.446 1.00 0.00 O ATOM 672 CG2 THR A 45 6.550 2.361 -7.595 1.00 0.00 C ATOM 0 H THR A 45 9.834 3.067 -5.382 1.00 0.00 H new ATOM 0 HA THR A 45 9.099 3.320 -8.044 1.00 0.00 H new ATOM 0 HB THR A 45 7.289 2.837 -5.644 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.895 1.271 -5.615 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.866 1.591 -7.238 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.016 3.307 -7.689 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.947 2.071 -8.568 1.00 0.00 H new ATOM 680 N ALA A 46 7.844 5.646 -6.071 1.00 0.00 N ATOM 681 CA ALA A 46 7.225 6.969 -6.045 1.00 0.00 C ATOM 682 C ALA A 46 8.072 8.007 -6.797 1.00 0.00 C ATOM 683 O ALA A 46 7.546 8.981 -7.312 1.00 0.00 O ATOM 684 CB ALA A 46 7.003 7.409 -4.605 1.00 0.00 C ATOM 0 H ALA A 46 8.174 5.320 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 46 6.264 6.900 -6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.541 8.396 -4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.348 6.696 -4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.960 7.450 -4.085 1.00 0.00 H new ATOM 690 N ALA A 47 9.383 7.792 -6.852 1.00 0.00 N ATOM 691 CA ALA A 47 10.289 8.712 -7.553 1.00 0.00 C ATOM 692 C ALA A 47 10.349 8.432 -9.068 1.00 0.00 C ATOM 693 O ALA A 47 10.371 9.357 -9.879 1.00 0.00 O ATOM 694 CB ALA A 47 11.681 8.637 -6.942 1.00 0.00 C ATOM 0 H ALA A 47 9.847 6.992 -6.422 1.00 0.00 H new ATOM 0 HA ALA A 47 9.893 9.720 -7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.346 9.322 -7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.632 8.915 -5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.063 7.620 -7.031 1.00 0.00 H new ATOM 700 N LYS A 48 10.383 7.157 -9.447 1.00 0.00 N ATOM 701 CA LYS A 48 10.424 6.770 -10.857 1.00 0.00 C ATOM 702 C LYS A 48 9.037 6.864 -11.521 1.00 0.00 C ATOM 703 O LYS A 48 8.910 7.337 -12.650 1.00 0.00 O ATOM 704 CB LYS A 48 10.963 5.336 -11.002 1.00 0.00 C ATOM 705 CG LYS A 48 12.484 5.197 -10.879 1.00 0.00 C ATOM 706 CD LYS A 48 12.974 5.282 -9.434 1.00 0.00 C ATOM 707 CE LYS A 48 14.480 5.059 -9.345 1.00 0.00 C ATOM 708 NZ LYS A 48 14.959 4.971 -7.939 1.00 0.00 N ATOM 0 H LYS A 48 10.383 6.371 -8.796 1.00 0.00 H new ATOM 0 HA LYS A 48 11.090 7.469 -11.363 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.494 4.710 -10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.655 4.945 -11.972 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.792 4.243 -11.306 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.964 5.979 -11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.724 6.259 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.458 4.537 -8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.740 4.141 -9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.996 5.875 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.848 5.502 -7.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.243 5.375 -7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.122 3.975 -7.689 1.00 0.00 H new ATOM 722 N TRP A 49 8.003 6.413 -10.810 1.00 0.00 N ATOM 723 CA TRP A 49 6.656 6.283 -11.391 1.00 0.00 C ATOM 724 C TRP A 49 5.683 7.378 -10.909 1.00 0.00 C ATOM 725 O TRP A 49 5.127 8.127 -11.713 1.00 0.00 O ATOM 726 CB TRP A 49 6.077 4.900 -11.054 1.00 0.00 C ATOM 727 CG TRP A 49 6.934 3.756 -11.522 1.00 0.00 C ATOM 728 CD1 TRP A 49 7.978 3.182 -10.852 1.00 0.00 C ATOM 729 CD2 TRP A 49 6.815 3.044 -12.761 1.00 0.00 C ATOM 730 NE1 TRP A 49 8.515 2.162 -11.598 1.00 0.00 N ATOM 731 CE2 TRP A 49 7.818 2.056 -12.772 1.00 0.00 C ATOM 732 CE3 TRP A 49 5.957 3.143 -13.861 1.00 0.00 C ATOM 733 CZ2 TRP A 49 7.987 1.178 -13.838 1.00 0.00 C ATOM 734 CZ3 TRP A 49 6.127 2.269 -14.919 1.00 0.00 C ATOM 735 CH2 TRP A 49 7.134 1.297 -14.900 1.00 0.00 C ATOM 0 H TRP A 49 8.067 6.131 -9.832 1.00 0.00 H new ATOM 0 HA TRP A 49 6.764 6.401 -12.469 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.944 4.825 -9.975 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.089 4.810 -11.504 1.00 0.00 H new ATOM 0 HD1 TRP A 49 8.330 3.487 -9.877 1.00 0.00 H new ATOM 0 HE1 TRP A 49 9.305 1.578 -11.323 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.176 3.888 -13.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 8.765 0.429 -13.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.472 2.338 -15.775 1.00 0.00 H new ATOM 0 HH2 TRP A 49 7.239 0.628 -15.741 1.00 0.00 H new ATOM 746 N PHE A 50 5.479 7.470 -9.596 1.00 0.00 N ATOM 747 CA PHE A 50 4.423 8.334 -9.030 1.00 0.00 C ATOM 748 C PHE A 50 4.916 9.758 -8.706 1.00 0.00 C ATOM 749 O PHE A 50 4.219 10.531 -8.042 1.00 0.00 O ATOM 750 CB PHE A 50 3.851 7.682 -7.766 1.00 0.00 C ATOM 751 CG PHE A 50 3.209 6.340 -8.013 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.926 6.258 -8.537 1.00 0.00 C ATOM 753 CD2 PHE A 50 3.885 5.162 -7.720 1.00 0.00 C ATOM 754 CE1 PHE A 50 1.332 5.031 -8.764 1.00 0.00 C ATOM 755 CE2 PHE A 50 3.293 3.934 -7.945 1.00 0.00 C ATOM 756 CZ PHE A 50 2.015 3.869 -8.468 1.00 0.00 C ATOM 0 H PHE A 50 6.024 6.962 -8.899 1.00 0.00 H new ATOM 0 HA PHE A 50 3.650 8.435 -9.792 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.651 7.563 -7.035 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.113 8.352 -7.324 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.386 7.164 -8.770 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.884 5.207 -7.312 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.334 4.982 -9.173 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.828 3.025 -7.712 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.552 2.910 -8.645 1.00 0.00 H new ATOM 766 N ARG A 51 6.098 10.108 -9.198 1.00 0.00 N ATOM 767 CA ARG A 51 6.714 11.409 -8.909 1.00 0.00 C ATOM 768 C ARG A 51 5.923 12.575 -9.523 1.00 0.00 C ATOM 769 O ARG A 51 5.747 12.652 -10.738 1.00 0.00 O ATOM 770 CB ARG A 51 8.159 11.410 -9.420 1.00 0.00 C ATOM 771 CG ARG A 51 8.884 12.746 -9.283 1.00 0.00 C ATOM 772 CD ARG A 51 10.348 12.634 -9.704 1.00 0.00 C ATOM 773 NE ARG A 51 10.497 11.915 -10.972 1.00 0.00 N ATOM 774 CZ ARG A 51 11.355 12.222 -11.906 1.00 0.00 C ATOM 775 NH1 ARG A 51 12.180 13.207 -11.750 1.00 0.00 N ATOM 776 NH2 ARG A 51 11.401 11.522 -12.990 1.00 0.00 N ATOM 0 H ARG A 51 6.657 9.508 -9.804 1.00 0.00 H new ATOM 0 HA ARG A 51 6.704 11.556 -7.829 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.722 10.650 -8.878 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.159 11.119 -10.470 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.385 13.497 -9.895 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.827 13.088 -8.250 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.776 13.632 -9.800 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.911 12.119 -8.926 1.00 0.00 H new ATOM 0 HE ARG A 51 9.885 11.116 -11.137 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.164 13.754 -10.889 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.846 13.436 -12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.768 10.732 -13.114 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.070 11.759 -13.722 1.00 0.00 H new ATOM 790 N GLY A 52 5.450 13.478 -8.666 1.00 0.00 N ATOM 791 CA GLY A 52 4.713 14.652 -9.130 1.00 0.00 C ATOM 792 C GLY A 52 3.195 14.468 -9.125 1.00 0.00 C ATOM 793 O GLY A 52 2.454 15.387 -9.480 1.00 0.00 O ATOM 0 H GLY A 52 5.563 13.420 -7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.969 15.503 -8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.037 14.897 -10.142 1.00 0.00 H new ATOM 797 N GLN A 53 2.727 13.289 -8.720 1.00 0.00 N ATOM 798 CA GLN A 53 1.289 12.994 -8.693 1.00 0.00 C ATOM 799 C GLN A 53 0.682 13.306 -7.311 1.00 0.00 C ATOM 800 O GLN A 53 1.028 12.681 -6.313 1.00 0.00 O ATOM 801 CB GLN A 53 1.053 11.525 -9.072 1.00 0.00 C ATOM 802 CG GLN A 53 1.706 11.128 -10.396 1.00 0.00 C ATOM 803 CD GLN A 53 1.421 9.691 -10.801 1.00 0.00 C ATOM 804 OE1 GLN A 53 0.368 9.142 -10.495 1.00 0.00 O ATOM 805 NE2 GLN A 53 2.364 9.064 -11.478 1.00 0.00 N ATOM 0 H GLN A 53 3.319 12.520 -8.405 1.00 0.00 H new ATOM 0 HA GLN A 53 0.790 13.633 -9.422 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.440 10.886 -8.278 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.020 11.341 -9.135 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.353 11.796 -11.182 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.784 11.269 -10.318 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.229 9.549 -11.717 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.228 8.094 -11.763 1.00 0.00 H new ATOM 814 N ALA A 54 -0.234 14.272 -7.263 1.00 0.00 N ATOM 815 CA ALA A 54 -0.811 14.742 -5.992 1.00 0.00 C ATOM 816 C ALA A 54 -2.147 14.048 -5.655 1.00 0.00 C ATOM 817 O ALA A 54 -3.071 14.678 -5.143 1.00 0.00 O ATOM 818 CB ALA A 54 -1.000 16.256 -6.050 1.00 0.00 C ATOM 0 H ALA A 54 -0.597 14.749 -8.088 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.113 14.482 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.427 16.606 -5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.035 16.737 -6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.673 16.508 -6.870 1.00 0.00 H new ATOM 824 N ASN A 55 -2.235 12.747 -5.920 1.00 0.00 N ATOM 825 CA ASN A 55 -3.444 11.967 -5.610 1.00 0.00 C ATOM 826 C ASN A 55 -3.091 10.660 -4.889 1.00 0.00 C ATOM 827 O ASN A 55 -3.911 9.745 -4.807 1.00 0.00 O ATOM 828 CB ASN A 55 -4.225 11.644 -6.892 1.00 0.00 C ATOM 829 CG ASN A 55 -4.681 12.890 -7.625 1.00 0.00 C ATOM 830 OD1 ASN A 55 -5.755 13.423 -7.365 1.00 0.00 O ATOM 831 ND2 ASN A 55 -3.877 13.359 -8.556 1.00 0.00 N ATOM 0 H ASN A 55 -1.486 12.204 -6.349 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.065 12.576 -4.952 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.599 11.046 -7.554 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.094 11.036 -6.640 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.140 14.190 -9.086 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.991 12.892 -8.747 1.00 0.00 H new ATOM 838 N LEU A 56 -1.881 10.592 -4.344 1.00 0.00 N ATOM 839 CA LEU A 56 -1.347 9.341 -3.797 1.00 0.00 C ATOM 840 C LEU A 56 -1.591 9.214 -2.288 1.00 0.00 C ATOM 841 O LEU A 56 -1.203 10.085 -1.509 1.00 0.00 O ATOM 842 CB LEU A 56 0.166 9.265 -4.052 1.00 0.00 C ATOM 843 CG LEU A 56 0.631 9.719 -5.441 1.00 0.00 C ATOM 844 CD1 LEU A 56 2.151 9.681 -5.527 1.00 0.00 C ATOM 845 CD2 LEU A 56 -0.001 8.870 -6.540 1.00 0.00 C ATOM 0 H LEU A 56 -1.247 11.388 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.869 8.526 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.673 9.873 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.490 8.236 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 56 0.302 10.747 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.468 10.006 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.575 10.346 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.500 8.664 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.348 9.216 -7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.283 7.827 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.086 8.960 -6.491 1.00 0.00 H new ATOM 857 N VAL A 57 -2.231 8.125 -1.883 1.00 0.00 N ATOM 858 CA VAL A 57 -2.327 7.762 -0.470 1.00 0.00 C ATOM 859 C VAL A 57 -1.274 6.702 -0.126 1.00 0.00 C ATOM 860 O VAL A 57 -1.136 5.699 -0.830 1.00 0.00 O ATOM 861 CB VAL A 57 -3.734 7.218 -0.111 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.804 6.802 1.361 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.802 8.258 -0.429 1.00 0.00 C ATOM 0 H VAL A 57 -2.695 7.472 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.150 8.667 0.112 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.921 6.332 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.802 6.424 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.069 6.021 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.592 7.664 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.784 7.861 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.613 9.162 0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.774 8.495 -1.493 1.00 0.00 H new ATOM 873 N LEU A 58 -0.520 6.939 0.940 1.00 0.00 N ATOM 874 CA LEU A 58 0.474 5.975 1.408 1.00 0.00 C ATOM 875 C LEU A 58 -0.089 5.132 2.555 1.00 0.00 C ATOM 876 O LEU A 58 -0.309 5.635 3.663 1.00 0.00 O ATOM 877 CB LEU A 58 1.748 6.697 1.870 1.00 0.00 C ATOM 878 CG LEU A 58 2.899 5.778 2.313 1.00 0.00 C ATOM 879 CD1 LEU A 58 3.389 4.921 1.144 1.00 0.00 C ATOM 880 CD2 LEU A 58 4.041 6.598 2.910 1.00 0.00 C ATOM 0 H LEU A 58 -0.576 7.790 1.499 1.00 0.00 H new ATOM 0 HA LEU A 58 0.722 5.315 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.103 7.330 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.492 7.357 2.699 1.00 0.00 H new ATOM 0 HG LEU A 58 2.525 5.107 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.203 4.279 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.569 4.305 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.745 5.568 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.846 5.931 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.415 7.298 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.678 7.151 3.776 1.00 0.00 H new ATOM 892 N LEU A 59 -0.346 3.858 2.281 1.00 0.00 N ATOM 893 CA LEU A 59 -0.804 2.937 3.316 1.00 0.00 C ATOM 894 C LEU A 59 0.372 2.425 4.147 1.00 0.00 C ATOM 895 O LEU A 59 1.150 1.583 3.695 1.00 0.00 O ATOM 896 CB LEU A 59 -1.560 1.755 2.707 1.00 0.00 C ATOM 897 CG LEU A 59 -2.811 2.125 1.899 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.523 0.871 1.394 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.755 2.989 2.735 1.00 0.00 C ATOM 0 H LEU A 59 -0.246 3.440 1.356 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.484 3.487 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.879 1.204 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.853 1.079 3.510 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.498 2.705 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.407 1.159 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.848 0.302 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.823 0.256 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.636 3.241 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.060 2.439 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.243 3.904 3.032 1.00 0.00 H new ATOM 911 N ALA A 60 0.495 2.952 5.357 1.00 0.00 N ATOM 912 CA ALA A 60 1.540 2.531 6.288 1.00 0.00 C ATOM 913 C ALA A 60 1.004 1.448 7.228 1.00 0.00 C ATOM 914 O ALA A 60 0.380 1.745 8.248 1.00 0.00 O ATOM 915 CB ALA A 60 2.067 3.727 7.077 1.00 0.00 C ATOM 0 H ALA A 60 -0.121 3.679 5.722 1.00 0.00 H new ATOM 0 HA ALA A 60 2.370 2.111 5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.844 3.395 7.765 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.482 4.463 6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.251 4.178 7.642 1.00 0.00 H new ATOM 921 N VAL A 61 1.215 0.193 6.857 1.00 0.00 N ATOM 922 CA VAL A 61 0.693 -0.941 7.622 1.00 0.00 C ATOM 923 C VAL A 61 1.831 -1.734 8.272 1.00 0.00 C ATOM 924 O VAL A 61 2.871 -1.951 7.659 1.00 0.00 O ATOM 925 CB VAL A 61 -0.127 -1.895 6.712 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.824 -2.976 7.536 1.00 0.00 C ATOM 927 CG2 VAL A 61 -1.138 -1.113 5.875 1.00 0.00 C ATOM 0 H VAL A 61 1.746 -0.071 6.027 1.00 0.00 H new ATOM 0 HA VAL A 61 0.045 -0.535 8.399 1.00 0.00 H new ATOM 0 HB VAL A 61 0.568 -2.388 6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.391 -3.630 6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.078 -3.562 8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.501 -2.509 8.251 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.700 -1.803 5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.824 -0.583 6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.612 -0.395 5.246 1.00 0.00 H new ATOM 937 N GLU A 62 1.644 -2.147 9.518 1.00 0.00 N ATOM 938 CA GLU A 62 2.607 -3.037 10.167 1.00 0.00 C ATOM 939 C GLU A 62 2.322 -4.496 9.789 1.00 0.00 C ATOM 940 O GLU A 62 1.195 -4.847 9.434 1.00 0.00 O ATOM 941 CB GLU A 62 2.554 -2.884 11.693 1.00 0.00 C ATOM 942 CG GLU A 62 2.854 -1.476 12.190 1.00 0.00 C ATOM 943 CD GLU A 62 2.989 -1.410 13.701 1.00 0.00 C ATOM 944 OE1 GLU A 62 4.113 -1.615 14.211 1.00 0.00 O ATOM 945 OE2 GLU A 62 1.976 -1.167 14.385 1.00 0.00 O ATOM 0 H GLU A 62 0.846 -1.886 10.097 1.00 0.00 H new ATOM 0 HA GLU A 62 3.603 -2.761 9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.564 -3.177 12.042 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.268 -3.575 12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.776 -1.120 11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.058 -0.804 11.870 1.00 0.00 H new ATOM 952 N ALA A 63 3.338 -5.348 9.874 1.00 0.00 N ATOM 953 CA ALA A 63 3.155 -6.780 9.615 1.00 0.00 C ATOM 954 C ALA A 63 2.487 -7.481 10.810 1.00 0.00 C ATOM 955 O ALA A 63 2.049 -8.627 10.707 1.00 0.00 O ATOM 956 CB ALA A 63 4.491 -7.436 9.294 1.00 0.00 C ATOM 0 H ALA A 63 4.291 -5.079 10.118 1.00 0.00 H new ATOM 0 HA ALA A 63 2.496 -6.884 8.753 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.338 -8.498 9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.923 -6.968 8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.169 -7.312 10.138 1.00 0.00 H new ATOM 962 N GLU A 64 2.401 -6.775 11.939 1.00 0.00 N ATOM 963 CA GLU A 64 1.836 -7.340 13.174 1.00 0.00 C ATOM 964 C GLU A 64 0.331 -7.677 13.022 1.00 0.00 C ATOM 965 O GLU A 64 -0.086 -8.793 13.343 1.00 0.00 O ATOM 966 CB GLU A 64 2.052 -6.389 14.375 1.00 0.00 C ATOM 967 CG GLU A 64 3.339 -5.558 14.319 1.00 0.00 C ATOM 968 CD GLU A 64 4.571 -6.358 13.922 1.00 0.00 C ATOM 969 OE1 GLU A 64 4.950 -7.293 14.659 1.00 0.00 O ATOM 970 OE2 GLU A 64 5.178 -6.042 12.873 1.00 0.00 O ATOM 0 H GLU A 64 2.715 -5.809 12.027 1.00 0.00 H new ATOM 0 HA GLU A 64 2.369 -8.271 13.366 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.201 -5.710 14.439 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.058 -6.980 15.291 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.203 -4.742 13.609 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.511 -5.105 15.296 1.00 0.00 H new ATOM 977 N PRO A 65 -0.514 -6.721 12.546 1.00 0.00 N ATOM 978 CA PRO A 65 -1.955 -6.969 12.326 1.00 0.00 C ATOM 979 C PRO A 65 -2.254 -8.245 11.516 1.00 0.00 C ATOM 980 O PRO A 65 -2.978 -9.131 11.977 1.00 0.00 O ATOM 981 CB PRO A 65 -2.407 -5.731 11.542 1.00 0.00 C ATOM 982 CG PRO A 65 -1.483 -4.652 11.983 1.00 0.00 C ATOM 983 CD PRO A 65 -0.154 -5.322 12.217 1.00 0.00 C ATOM 0 HA PRO A 65 -2.473 -7.125 13.272 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.340 -5.896 10.467 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.445 -5.479 11.762 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.401 -3.873 11.225 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.846 -4.174 12.893 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.481 -5.270 11.333 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.394 -4.848 13.031 1.00 0.00 H new ATOM 991 N LEU A 66 -1.681 -8.339 10.316 1.00 0.00 N ATOM 992 CA LEU A 66 -1.969 -9.454 9.402 1.00 0.00 C ATOM 993 C LEU A 66 -1.156 -10.717 9.729 1.00 0.00 C ATOM 994 O LEU A 66 -1.302 -11.748 9.068 1.00 0.00 O ATOM 995 CB LEU A 66 -1.748 -9.003 7.946 1.00 0.00 C ATOM 996 CG LEU A 66 -0.407 -8.294 7.649 1.00 0.00 C ATOM 997 CD1 LEU A 66 0.753 -9.285 7.583 1.00 0.00 C ATOM 998 CD2 LEU A 66 -0.505 -7.489 6.356 1.00 0.00 C ATOM 0 H LEU A 66 -1.014 -7.659 9.951 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.015 -9.731 9.536 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.823 -9.878 7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.560 -8.331 7.668 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.204 -7.610 8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.678 -8.749 7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.843 -9.804 8.538 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.567 -10.011 6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.447 -6.996 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.744 -8.157 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.289 -6.738 6.453 1.00 0.00 H new ATOM 1010 N GLY A 67 -0.307 -10.635 10.748 1.00 0.00 N ATOM 1011 CA GLY A 67 0.442 -11.801 11.198 1.00 0.00 C ATOM 1012 C GLY A 67 1.600 -12.181 10.281 1.00 0.00 C ATOM 1013 O GLY A 67 2.136 -11.345 9.552 1.00 0.00 O ATOM 0 H GLY A 67 -0.122 -9.781 11.274 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.831 -11.608 12.198 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.238 -12.649 11.279 1.00 0.00 H new ATOM 1017 N GLU A 68 1.996 -13.451 10.318 1.00 0.00 N ATOM 1018 CA GLU A 68 3.129 -13.933 9.542 1.00 0.00 C ATOM 1019 C GLU A 68 2.709 -14.529 8.185 1.00 0.00 C ATOM 1020 O GLU A 68 3.504 -15.202 7.526 1.00 0.00 O ATOM 1021 CB GLU A 68 3.877 -14.973 10.372 1.00 0.00 C ATOM 1022 CG GLU A 68 3.041 -16.190 10.748 1.00 0.00 C ATOM 1023 CD GLU A 68 3.766 -17.107 11.715 1.00 0.00 C ATOM 1024 OE1 GLU A 68 4.763 -17.740 11.310 1.00 0.00 O ATOM 1025 OE2 GLU A 68 3.352 -17.186 12.891 1.00 0.00 O ATOM 0 H GLU A 68 1.542 -14.168 10.884 1.00 0.00 H new ATOM 0 HA GLU A 68 3.775 -13.085 9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.752 -15.306 9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.241 -14.500 11.284 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.104 -15.860 11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.785 -16.746 9.846 1.00 0.00 H new ATOM 1032 N ASP A 69 1.468 -14.280 7.762 1.00 0.00 N ATOM 1033 CA ASP A 69 1.004 -14.716 6.436 1.00 0.00 C ATOM 1034 C ASP A 69 1.744 -13.959 5.314 1.00 0.00 C ATOM 1035 O ASP A 69 1.739 -14.377 4.154 1.00 0.00 O ATOM 1036 CB ASP A 69 -0.508 -14.502 6.307 1.00 0.00 C ATOM 1037 CG ASP A 69 -1.295 -15.269 7.356 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -1.478 -14.739 8.469 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -1.740 -16.406 7.072 1.00 0.00 O ATOM 0 H ASP A 69 0.768 -13.782 8.312 1.00 0.00 H new ATOM 0 HA ASP A 69 1.224 -15.779 6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.730 -13.439 6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.833 -14.813 5.314 1.00 0.00 H new ATOM 1044 N LEU A 70 2.375 -12.843 5.677 1.00 0.00 N ATOM 1045 CA LEU A 70 3.153 -12.030 4.733 1.00 0.00 C ATOM 1046 C LEU A 70 4.474 -12.715 4.343 1.00 0.00 C ATOM 1047 O LEU A 70 5.285 -13.070 5.204 1.00 0.00 O ATOM 1048 CB LEU A 70 3.451 -10.659 5.355 1.00 0.00 C ATOM 1049 CG LEU A 70 4.299 -9.705 4.494 1.00 0.00 C ATOM 1050 CD1 LEU A 70 3.547 -9.286 3.235 1.00 0.00 C ATOM 1051 CD2 LEU A 70 4.722 -8.484 5.305 1.00 0.00 C ATOM 0 H LEU A 70 2.364 -12.475 6.628 1.00 0.00 H new ATOM 0 HA LEU A 70 2.557 -11.910 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.504 -10.170 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.964 -10.815 6.304 1.00 0.00 H new ATOM 0 HG LEU A 70 5.197 -10.239 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.170 -8.613 2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.308 -10.169 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.625 -8.776 3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.320 -7.821 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.836 -7.953 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.313 -8.804 6.163 1.00 0.00 H new ATOM 1063 N LYS A 71 4.696 -12.882 3.040 1.00 0.00 N ATOM 1064 CA LYS A 71 5.929 -13.501 2.539 1.00 0.00 C ATOM 1065 C LYS A 71 6.907 -12.445 1.999 1.00 0.00 C ATOM 1066 O LYS A 71 6.575 -11.688 1.085 1.00 0.00 O ATOM 1067 CB LYS A 71 5.605 -14.518 1.437 1.00 0.00 C ATOM 1068 CG LYS A 71 6.832 -15.230 0.861 1.00 0.00 C ATOM 1069 CD LYS A 71 7.559 -16.051 1.922 1.00 0.00 C ATOM 1070 CE LYS A 71 8.796 -16.746 1.363 1.00 0.00 C ATOM 1071 NZ LYS A 71 9.827 -15.775 0.909 1.00 0.00 N ATOM 0 H LYS A 71 4.041 -12.599 2.311 1.00 0.00 H new ATOM 0 HA LYS A 71 6.406 -14.013 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.920 -15.265 1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.082 -14.007 0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.524 -15.883 0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.516 -14.493 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.851 -15.400 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.878 -16.798 2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.222 -17.396 2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.507 -17.384 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.734 -15.990 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.938 -15.844 -0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.531 -14.811 1.161 1.00 0.00 H new ATOM 1085 N TRP A 72 8.107 -12.399 2.569 1.00 0.00 N ATOM 1086 CA TRP A 72 9.161 -11.497 2.091 1.00 0.00 C ATOM 1087 C TRP A 72 10.007 -12.170 0.997 1.00 0.00 C ATOM 1088 O TRP A 72 10.444 -13.312 1.150 1.00 0.00 O ATOM 1089 CB TRP A 72 10.052 -11.058 3.262 1.00 0.00 C ATOM 1090 CG TRP A 72 9.353 -10.148 4.234 1.00 0.00 C ATOM 1091 CD1 TRP A 72 8.562 -10.515 5.289 1.00 0.00 C ATOM 1092 CD2 TRP A 72 9.380 -8.714 4.234 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.099 -9.397 5.943 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.589 -8.280 5.314 1.00 0.00 C ATOM 1095 CE3 TRP A 72 10.002 -7.757 3.427 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 8.400 -6.929 5.602 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.815 -6.417 3.714 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.023 -6.014 4.794 1.00 0.00 C ATOM 0 H TRP A 72 8.379 -12.976 3.365 1.00 0.00 H new ATOM 0 HA TRP A 72 8.687 -10.616 1.658 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.404 -11.943 3.793 1.00 0.00 H new ATOM 0 HB3 TRP A 72 10.933 -10.550 2.869 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.335 -11.533 5.567 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.491 -9.398 6.762 1.00 0.00 H new ATOM 0 HE3 TRP A 72 10.618 -8.059 2.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 7.785 -6.615 6.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.288 -5.670 3.094 1.00 0.00 H new ATOM 0 HH2 TRP A 72 8.900 -4.960 4.995 1.00 0.00 H new ATOM 1109 N GLU A 73 10.221 -11.465 -0.110 1.00 0.00 N ATOM 1110 CA GLU A 73 10.973 -12.010 -1.246 1.00 0.00 C ATOM 1111 C GLU A 73 11.951 -10.978 -1.833 1.00 0.00 C ATOM 1112 O GLU A 73 11.551 -10.050 -2.542 1.00 0.00 O ATOM 1113 CB GLU A 73 9.996 -12.495 -2.329 1.00 0.00 C ATOM 1114 CG GLU A 73 10.670 -13.065 -3.574 1.00 0.00 C ATOM 1115 CD GLU A 73 9.677 -13.690 -4.543 1.00 0.00 C ATOM 1116 OE1 GLU A 73 9.028 -12.948 -5.314 1.00 0.00 O ATOM 1117 OE2 GLU A 73 9.533 -14.930 -4.534 1.00 0.00 O ATOM 0 H GLU A 73 9.885 -10.512 -0.249 1.00 0.00 H new ATOM 0 HA GLU A 73 11.566 -12.851 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.347 -13.258 -1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.358 -11.663 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.217 -12.271 -4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.402 -13.816 -3.275 1.00 0.00 H new ATOM 1124 N ALA A 74 13.236 -11.134 -1.521 1.00 0.00 N ATOM 1125 CA ALA A 74 14.279 -10.285 -2.101 1.00 0.00 C ATOM 1126 C ALA A 74 14.689 -10.792 -3.492 1.00 0.00 C ATOM 1127 O ALA A 74 15.698 -11.480 -3.645 1.00 0.00 O ATOM 1128 CB ALA A 74 15.490 -10.212 -1.176 1.00 0.00 C ATOM 0 H ALA A 74 13.582 -11.839 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 74 13.873 -9.280 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.253 -9.577 -1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.189 -9.794 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.894 -11.213 -1.026 1.00 0.00 H new ATOM 1134 N SER A 75 13.876 -10.473 -4.495 1.00 0.00 N ATOM 1135 CA SER A 75 14.140 -10.901 -5.881 1.00 0.00 C ATOM 1136 C SER A 75 15.379 -10.211 -6.471 1.00 0.00 C ATOM 1137 O SER A 75 15.972 -10.693 -7.436 1.00 0.00 O ATOM 1138 CB SER A 75 12.921 -10.619 -6.772 1.00 0.00 C ATOM 1139 OG SER A 75 11.778 -11.337 -6.328 1.00 0.00 O ATOM 0 H SER A 75 13.027 -9.920 -4.382 1.00 0.00 H new ATOM 0 HA SER A 75 14.333 -11.973 -5.853 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.705 -9.551 -6.769 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.149 -10.895 -7.801 1.00 0.00 H new ATOM 0 HG SER A 75 11.018 -11.136 -6.913 1.00 0.00 H new ATOM 1145 N ARG A 76 15.759 -9.075 -5.889 1.00 0.00 N ATOM 1146 CA ARG A 76 16.926 -8.312 -6.346 1.00 0.00 C ATOM 1147 C ARG A 76 17.864 -8.000 -5.170 1.00 0.00 C ATOM 1148 O ARG A 76 17.404 -7.742 -4.056 1.00 0.00 O ATOM 1149 CB ARG A 76 16.467 -7.013 -7.030 1.00 0.00 C ATOM 1150 CG ARG A 76 15.516 -7.248 -8.201 1.00 0.00 C ATOM 1151 CD ARG A 76 15.058 -5.944 -8.844 1.00 0.00 C ATOM 1152 NE ARG A 76 14.065 -6.175 -9.891 1.00 0.00 N ATOM 1153 CZ ARG A 76 13.654 -5.262 -10.732 1.00 0.00 C ATOM 1154 NH1 ARG A 76 14.177 -4.077 -10.733 1.00 0.00 N ATOM 1155 NH2 ARG A 76 12.731 -5.548 -11.591 1.00 0.00 N ATOM 0 H ARG A 76 15.274 -8.658 -5.095 1.00 0.00 H new ATOM 0 HA ARG A 76 17.478 -8.914 -7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.975 -6.378 -6.294 1.00 0.00 H new ATOM 0 HB3 ARG A 76 17.342 -6.469 -7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.011 -7.866 -8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.646 -7.805 -7.853 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.636 -5.291 -8.080 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.918 -5.425 -9.267 1.00 0.00 H new ATOM 0 HE ARG A 76 13.666 -7.110 -9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.919 -3.846 -10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.847 -3.374 -11.395 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.325 -6.484 -11.611 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.408 -4.838 -12.248 1.00 0.00 H new ATOM 1169 N GLY A 77 19.171 -8.025 -5.428 1.00 0.00 N ATOM 1170 CA GLY A 77 20.162 -7.806 -4.375 1.00 0.00 C ATOM 1171 C GLY A 77 19.918 -6.535 -3.561 1.00 0.00 C ATOM 1172 O GLY A 77 20.161 -5.425 -4.043 1.00 0.00 O ATOM 0 H GLY A 77 19.567 -8.194 -6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 77 20.161 -8.664 -3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 77 21.153 -7.755 -4.825 1.00 0.00 H new ATOM 1176 N GLY A 78 19.423 -6.696 -2.333 1.00 0.00 N ATOM 1177 CA GLY A 78 19.177 -5.551 -1.455 1.00 0.00 C ATOM 1178 C GLY A 78 17.701 -5.175 -1.347 1.00 0.00 C ATOM 1179 O GLY A 78 17.254 -4.688 -0.310 1.00 0.00 O ATOM 0 H GLY A 78 19.186 -7.601 -1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.560 -5.777 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.737 -4.692 -1.825 1.00 0.00 H new ATOM 1183 N ALA A 79 16.942 -5.410 -2.415 1.00 0.00 N ATOM 1184 CA ALA A 79 15.523 -5.035 -2.458 1.00 0.00 C ATOM 1185 C ALA A 79 14.618 -6.178 -1.966 1.00 0.00 C ATOM 1186 O ALA A 79 14.318 -7.119 -2.705 1.00 0.00 O ATOM 1187 CB ALA A 79 15.139 -4.612 -3.872 1.00 0.00 C ATOM 0 H ALA A 79 17.283 -5.859 -3.265 1.00 0.00 H new ATOM 0 HA ALA A 79 15.375 -4.193 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.085 -4.335 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.745 -3.758 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 79 15.312 -5.440 -4.559 1.00 0.00 H new ATOM 1193 N ARG A 80 14.197 -6.090 -0.705 1.00 0.00 N ATOM 1194 CA ARG A 80 13.351 -7.121 -0.084 1.00 0.00 C ATOM 1195 C ARG A 80 11.852 -6.807 -0.264 1.00 0.00 C ATOM 1196 O ARG A 80 11.292 -5.975 0.451 1.00 0.00 O ATOM 1197 CB ARG A 80 13.711 -7.237 1.408 1.00 0.00 C ATOM 1198 CG ARG A 80 15.155 -7.678 1.647 1.00 0.00 C ATOM 1199 CD ARG A 80 15.531 -7.681 3.127 1.00 0.00 C ATOM 1200 NE ARG A 80 15.702 -6.332 3.667 1.00 0.00 N ATOM 1201 CZ ARG A 80 16.771 -5.931 4.308 1.00 0.00 C ATOM 1202 NH1 ARG A 80 17.779 -6.724 4.478 1.00 0.00 N ATOM 1203 NH2 ARG A 80 16.837 -4.730 4.767 1.00 0.00 N ATOM 0 H ARG A 80 14.427 -5.312 -0.086 1.00 0.00 H new ATOM 0 HA ARG A 80 13.538 -8.074 -0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.548 -6.273 1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 80 13.037 -7.950 1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 80 15.298 -8.678 1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.828 -7.013 1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 80 14.758 -8.200 3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 80 16.456 -8.242 3.262 1.00 0.00 H new ATOM 0 HE ARG A 80 14.943 -5.664 3.536 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.747 -7.675 4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 80 18.605 -6.398 4.979 1.00 0.00 H new ATOM 0 HH21 ARG A 80 16.056 -4.089 4.632 1.00 0.00 H new ATOM 0 HH22 ARG A 80 17.671 -4.420 5.266 1.00 0.00 H new ATOM 1217 N PHE A 81 11.207 -7.481 -1.224 1.00 0.00 N ATOM 1218 CA PHE A 81 9.811 -7.182 -1.590 1.00 0.00 C ATOM 1219 C PHE A 81 8.793 -8.019 -0.785 1.00 0.00 C ATOM 1220 O PHE A 81 8.738 -9.241 -0.925 1.00 0.00 O ATOM 1221 CB PHE A 81 9.594 -7.444 -3.089 1.00 0.00 C ATOM 1222 CG PHE A 81 10.487 -6.632 -3.997 1.00 0.00 C ATOM 1223 CD1 PHE A 81 10.187 -5.307 -4.281 1.00 0.00 C ATOM 1224 CD2 PHE A 81 11.621 -7.194 -4.570 1.00 0.00 C ATOM 1225 CE1 PHE A 81 10.999 -4.560 -5.115 1.00 0.00 C ATOM 1226 CE2 PHE A 81 12.435 -6.451 -5.406 1.00 0.00 C ATOM 1227 CZ PHE A 81 12.123 -5.133 -5.678 1.00 0.00 C ATOM 0 H PHE A 81 11.627 -8.238 -1.763 1.00 0.00 H new ATOM 0 HA PHE A 81 9.642 -6.131 -1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.759 -8.503 -3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.554 -7.231 -3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.309 -4.854 -3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.870 -8.224 -4.360 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.755 -3.529 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 81 13.313 -6.901 -5.845 1.00 0.00 H new ATOM 0 HZ PHE A 81 12.757 -4.551 -6.330 1.00 0.00 H new ATOM 1237 N PRO A 82 7.964 -7.370 0.062 1.00 0.00 N ATOM 1238 CA PRO A 82 6.881 -8.055 0.792 1.00 0.00 C ATOM 1239 C PRO A 82 5.660 -8.352 -0.107 1.00 0.00 C ATOM 1240 O PRO A 82 5.170 -7.475 -0.821 1.00 0.00 O ATOM 1241 CB PRO A 82 6.518 -7.050 1.889 1.00 0.00 C ATOM 1242 CG PRO A 82 6.840 -5.714 1.301 1.00 0.00 C ATOM 1243 CD PRO A 82 8.021 -5.928 0.384 1.00 0.00 C ATOM 0 HA PRO A 82 7.189 -9.030 1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.464 -7.121 2.158 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.092 -7.231 2.798 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.988 -5.316 0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.080 -4.993 2.082 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.946 -5.315 -0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.959 -5.664 0.872 1.00 0.00 H new ATOM 1251 N HIS A 83 5.165 -9.591 -0.070 1.00 0.00 N ATOM 1252 CA HIS A 83 4.053 -10.012 -0.938 1.00 0.00 C ATOM 1253 C HIS A 83 2.897 -10.649 -0.141 1.00 0.00 C ATOM 1254 O HIS A 83 3.109 -11.557 0.665 1.00 0.00 O ATOM 1255 CB HIS A 83 4.565 -11.003 -1.994 1.00 0.00 C ATOM 1256 CG HIS A 83 5.589 -10.417 -2.924 1.00 0.00 C ATOM 1257 ND1 HIS A 83 6.668 -11.126 -3.403 1.00 0.00 N ATOM 1258 CD2 HIS A 83 5.688 -9.181 -3.472 1.00 0.00 C ATOM 1259 CE1 HIS A 83 7.383 -10.357 -4.198 1.00 0.00 C ATOM 1260 NE2 HIS A 83 6.811 -9.173 -4.260 1.00 0.00 N ATOM 0 H HIS A 83 5.513 -10.323 0.550 1.00 0.00 H new ATOM 0 HA HIS A 83 3.661 -9.118 -1.423 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.997 -11.867 -1.489 1.00 0.00 H new ATOM 0 HB3 HIS A 83 3.720 -11.365 -2.580 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.009 -8.356 -3.317 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.287 -10.649 -4.713 1.00 0.00 H new ATOM 0 HE2 HIS A 83 7.148 -8.379 -4.805 1.00 0.00 H new ATOM 1269 N LEU A 84 1.672 -10.163 -0.378 1.00 0.00 N ATOM 1270 CA LEU A 84 0.461 -10.728 0.246 1.00 0.00 C ATOM 1271 C LEU A 84 -0.360 -11.541 -0.761 1.00 0.00 C ATOM 1272 O LEU A 84 -0.953 -10.985 -1.679 1.00 0.00 O ATOM 1273 CB LEU A 84 -0.423 -9.613 0.839 1.00 0.00 C ATOM 1274 CG LEU A 84 -0.259 -9.372 2.345 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -1.115 -8.193 2.801 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -0.613 -10.631 3.135 1.00 0.00 C ATOM 0 H LEU A 84 1.489 -9.376 -1.000 1.00 0.00 H new ATOM 0 HA LEU A 84 0.792 -11.390 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.206 -8.683 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.467 -9.856 0.639 1.00 0.00 H new ATOM 0 HG LEU A 84 0.786 -9.129 2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.983 -8.040 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.810 -7.294 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.164 -8.402 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.490 -10.438 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.648 -10.908 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.046 -11.446 2.835 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.410 -12.857 -0.571 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.189 -13.738 -1.454 1.00 0.00 C ATOM 1290 C TYR A 85 -2.673 -13.786 -1.043 1.00 0.00 C ATOM 1291 O TYR A 85 -3.438 -14.610 -1.544 1.00 0.00 O ATOM 1292 CB TYR A 85 -0.604 -15.157 -1.432 1.00 0.00 C ATOM 1293 CG TYR A 85 0.881 -15.220 -1.741 1.00 0.00 C ATOM 1294 CD1 TYR A 85 1.342 -15.340 -3.050 1.00 0.00 C ATOM 1295 CD2 TYR A 85 1.823 -15.162 -0.720 1.00 0.00 C ATOM 1296 CE1 TYR A 85 2.696 -15.402 -3.327 1.00 0.00 C ATOM 1297 CE2 TYR A 85 3.173 -15.224 -0.991 1.00 0.00 C ATOM 1298 CZ TYR A 85 3.607 -15.343 -2.293 1.00 0.00 C ATOM 1299 OH TYR A 85 4.957 -15.412 -2.556 1.00 0.00 O ATOM 0 H TYR A 85 0.077 -13.341 0.183 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.129 -13.330 -2.463 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.779 -15.595 -0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.141 -15.771 -2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.631 -15.385 -3.862 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.491 -15.067 0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.038 -15.496 -4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.889 -15.179 -0.184 1.00 0.00 H new ATOM 0 HH TYR A 85 5.459 -15.126 -1.765 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.077 -12.893 -0.137 1.00 0.00 N ATOM 1310 CA ARG A 86 -4.450 -12.887 0.393 1.00 0.00 C ATOM 1311 C ARG A 86 -5.011 -11.456 0.501 1.00 0.00 C ATOM 1312 O ARG A 86 -4.263 -10.508 0.748 1.00 0.00 O ATOM 1313 CB ARG A 86 -4.478 -13.592 1.760 1.00 0.00 C ATOM 1314 CG ARG A 86 -3.399 -13.111 2.726 1.00 0.00 C ATOM 1315 CD ARG A 86 -3.322 -13.983 3.977 1.00 0.00 C ATOM 1316 NE ARG A 86 -4.475 -13.811 4.863 1.00 0.00 N ATOM 1317 CZ ARG A 86 -5.102 -14.797 5.451 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -4.818 -16.024 5.163 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -6.039 -14.556 6.310 1.00 0.00 N ATOM 0 H ARG A 86 -2.476 -12.164 0.247 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.090 -13.429 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.456 -13.439 2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.363 -14.665 1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.433 -13.115 2.221 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.604 -12.080 3.015 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.251 -15.029 3.681 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.410 -13.744 4.525 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.810 -12.863 5.032 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.098 -16.232 4.471 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.313 -16.785 5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.292 -13.593 6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.525 -15.329 6.765 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.339 -11.285 0.312 1.00 0.00 N ATOM 1334 CA PRO A 87 -6.988 -9.958 0.334 1.00 0.00 C ATOM 1335 C PRO A 87 -6.792 -9.200 1.660 1.00 0.00 C ATOM 1336 O PRO A 87 -6.950 -9.762 2.750 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.480 -10.276 0.109 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.625 -11.724 0.442 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.316 -12.362 0.063 1.00 0.00 C ATOM 0 HA PRO A 87 -6.556 -9.299 -0.420 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -9.115 -9.660 0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.774 -10.077 -0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -8.836 -11.863 1.502 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.453 -12.171 -0.109 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.107 -13.245 0.668 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.309 -12.681 -0.979 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.466 -7.913 1.556 1.00 0.00 N ATOM 1348 CA LEU A 88 -6.236 -7.070 2.730 1.00 0.00 C ATOM 1349 C LEU A 88 -7.513 -6.315 3.125 1.00 0.00 C ATOM 1350 O LEU A 88 -8.186 -5.719 2.284 1.00 0.00 O ATOM 1351 CB LEU A 88 -5.094 -6.077 2.459 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.727 -5.154 3.637 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -4.250 -5.966 4.842 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -3.670 -4.138 3.212 1.00 0.00 C ATOM 0 H LEU A 88 -6.354 -7.428 0.666 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.953 -7.717 3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.206 -6.640 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.369 -5.457 1.606 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.624 -4.611 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.997 -5.290 5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.043 -6.642 5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.369 -6.545 4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.423 -3.495 4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.774 -4.662 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.057 -3.530 2.394 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.853 -6.357 4.405 1.00 0.00 N ATOM 1367 CA LEU A 89 -9.015 -5.628 4.912 1.00 0.00 C ATOM 1368 C LEU A 89 -8.622 -4.212 5.348 1.00 0.00 C ATOM 1369 O LEU A 89 -7.597 -4.016 6.001 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.642 -6.386 6.088 1.00 0.00 C ATOM 1371 CG LEU A 89 -10.158 -7.796 5.754 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -10.735 -8.470 6.996 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -11.199 -7.739 4.638 1.00 0.00 C ATOM 0 H LEU A 89 -7.344 -6.886 5.113 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.747 -5.549 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.902 -6.466 6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.470 -5.796 6.480 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.315 -8.392 5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.094 -9.466 6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.961 -8.551 7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.563 -7.875 7.381 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.551 -8.747 4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.040 -7.122 4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.750 -7.307 3.743 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.438 -3.228 4.984 1.00 0.00 N ATOM 1386 CA VAL A 90 -9.210 -1.839 5.398 1.00 0.00 C ATOM 1387 C VAL A 90 -9.158 -1.727 6.928 1.00 0.00 C ATOM 1388 O VAL A 90 -8.391 -0.943 7.485 1.00 0.00 O ATOM 1389 CB VAL A 90 -10.316 -0.912 4.840 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -10.150 0.523 5.345 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -10.317 -0.957 3.312 1.00 0.00 C ATOM 0 H VAL A 90 -10.265 -3.362 4.403 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.249 -1.524 4.991 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.279 -1.274 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.943 1.147 4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.206 0.534 6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.182 0.911 5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.099 -0.301 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.349 -0.624 2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.504 -1.978 2.978 1.00 0.00 H new ATOM 1401 N SER A 91 -9.958 -2.554 7.594 1.00 0.00 N ATOM 1402 CA SER A 91 -9.995 -2.598 9.064 1.00 0.00 C ATOM 1403 C SER A 91 -8.683 -3.148 9.657 1.00 0.00 C ATOM 1404 O SER A 91 -8.438 -3.031 10.858 1.00 0.00 O ATOM 1405 CB SER A 91 -11.171 -3.465 9.527 1.00 0.00 C ATOM 1406 OG SER A 91 -11.096 -4.765 8.961 1.00 0.00 O ATOM 0 H SER A 91 -10.596 -3.209 7.142 1.00 0.00 H new ATOM 0 HA SER A 91 -10.120 -1.576 9.422 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.169 -3.537 10.615 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.111 -2.993 9.241 1.00 0.00 H new ATOM 0 HG SER A 91 -11.855 -5.301 9.271 1.00 0.00 H new ATOM 1412 N GLU A 92 -7.849 -3.748 8.809 1.00 0.00 N ATOM 1413 CA GLU A 92 -6.570 -4.328 9.244 1.00 0.00 C ATOM 1414 C GLU A 92 -5.425 -3.297 9.155 1.00 0.00 C ATOM 1415 O GLU A 92 -4.403 -3.425 9.834 1.00 0.00 O ATOM 1416 CB GLU A 92 -6.237 -5.557 8.375 1.00 0.00 C ATOM 1417 CG GLU A 92 -5.134 -6.453 8.940 1.00 0.00 C ATOM 1418 CD GLU A 92 -5.617 -7.349 10.074 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -5.795 -6.846 11.207 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -5.825 -8.559 9.834 1.00 0.00 O ATOM 0 H GLU A 92 -8.034 -3.848 7.811 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.670 -4.630 10.287 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.141 -6.152 8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.938 -5.215 7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.732 -7.074 8.139 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.316 -5.829 9.300 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.622 -2.266 8.332 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.585 -1.256 8.056 1.00 0.00 C ATOM 1429 C VAL A 93 -4.210 -0.429 9.306 1.00 0.00 C ATOM 1430 O VAL A 93 -5.059 -0.138 10.150 1.00 0.00 O ATOM 1431 CB VAL A 93 -5.054 -0.304 6.922 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -4.029 0.797 6.645 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -5.354 -1.105 5.651 1.00 0.00 C ATOM 0 H VAL A 93 -6.499 -2.103 7.837 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.692 -1.798 7.744 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.969 0.187 7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.394 1.442 5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.878 1.389 7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.083 0.346 6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.682 -0.427 4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.453 -1.627 5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.141 -1.831 5.856 1.00 0.00 H new ATOM 1443 N THR A 94 -2.931 -0.053 9.411 1.00 0.00 N ATOM 1444 CA THR A 94 -2.438 0.723 10.561 1.00 0.00 C ATOM 1445 C THR A 94 -2.645 2.240 10.374 1.00 0.00 C ATOM 1446 O THR A 94 -3.462 2.849 11.069 1.00 0.00 O ATOM 1447 CB THR A 94 -0.935 0.447 10.839 1.00 0.00 C ATOM 1448 OG1 THR A 94 -0.717 -0.960 11.052 1.00 0.00 O ATOM 1449 CG2 THR A 94 -0.442 1.228 12.057 1.00 0.00 C ATOM 0 H THR A 94 -2.217 -0.272 8.716 1.00 0.00 H new ATOM 0 HA THR A 94 -3.028 0.393 11.416 1.00 0.00 H new ATOM 0 HB THR A 94 -0.372 0.776 9.966 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.199 -1.090 11.874 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.613 1.013 12.224 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.571 2.296 11.881 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.016 0.933 12.935 1.00 0.00 H new ATOM 1457 N ARG A 95 -1.915 2.856 9.436 1.00 0.00 N ATOM 1458 CA ARG A 95 -1.969 4.319 9.257 1.00 0.00 C ATOM 1459 C ARG A 95 -2.295 4.742 7.811 1.00 0.00 C ATOM 1460 O ARG A 95 -1.905 4.087 6.843 1.00 0.00 O ATOM 1461 CB ARG A 95 -0.637 4.964 9.680 1.00 0.00 C ATOM 1462 CG ARG A 95 -0.646 6.489 9.588 1.00 0.00 C ATOM 1463 CD ARG A 95 0.713 7.113 9.901 1.00 0.00 C ATOM 1464 NE ARG A 95 0.652 8.574 9.840 1.00 0.00 N ATOM 1465 CZ ARG A 95 1.690 9.365 9.781 1.00 0.00 C ATOM 1466 NH1 ARG A 95 2.893 8.886 9.753 1.00 0.00 N ATOM 1467 NH2 ARG A 95 1.512 10.645 9.739 1.00 0.00 N ATOM 0 H ARG A 95 -1.286 2.374 8.794 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.781 4.670 9.894 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.409 4.670 10.705 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.163 4.574 9.051 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.954 6.785 8.585 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.390 6.885 10.280 1.00 0.00 H new ATOM 0 HD2 ARG A 95 1.039 6.801 10.893 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.456 6.748 9.192 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.271 9.008 9.844 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.041 7.877 9.777 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.693 9.518 9.707 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.567 11.029 9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.316 11.271 9.693 1.00 0.00 H new ATOM 1481 N GLU A 96 -3.009 5.861 7.697 1.00 0.00 N ATOM 1482 CA GLU A 96 -3.311 6.502 6.410 1.00 0.00 C ATOM 1483 C GLU A 96 -2.537 7.828 6.286 1.00 0.00 C ATOM 1484 O GLU A 96 -2.640 8.691 7.160 1.00 0.00 O ATOM 1485 CB GLU A 96 -4.820 6.777 6.317 1.00 0.00 C ATOM 1486 CG GLU A 96 -5.247 7.553 5.072 1.00 0.00 C ATOM 1487 CD GLU A 96 -6.652 8.127 5.198 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -6.804 9.205 5.807 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -7.611 7.498 4.709 1.00 0.00 O ATOM 0 H GLU A 96 -3.399 6.355 8.500 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.009 5.837 5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.352 5.826 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.130 7.334 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.541 8.364 4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.203 6.895 4.204 1.00 0.00 H new ATOM 1496 N ALA A 97 -1.754 7.993 5.220 1.00 0.00 N ATOM 1497 CA ALA A 97 -0.997 9.238 5.014 1.00 0.00 C ATOM 1498 C ALA A 97 -0.995 9.682 3.540 1.00 0.00 C ATOM 1499 O ALA A 97 -0.349 9.059 2.700 1.00 0.00 O ATOM 1500 CB ALA A 97 0.434 9.067 5.519 1.00 0.00 C ATOM 0 H ALA A 97 -1.625 7.292 4.491 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.494 10.023 5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.988 9.993 5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.418 8.828 6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 97 0.918 8.258 4.972 1.00 0.00 H new ATOM 1506 N ASP A 98 -1.728 10.753 3.231 1.00 0.00 N ATOM 1507 CA ASP A 98 -1.707 11.342 1.885 1.00 0.00 C ATOM 1508 C ASP A 98 -0.316 11.934 1.583 1.00 0.00 C ATOM 1509 O ASP A 98 0.226 12.708 2.374 1.00 0.00 O ATOM 1510 CB ASP A 98 -2.779 12.434 1.761 1.00 0.00 C ATOM 1511 CG ASP A 98 -4.162 11.949 2.161 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -4.441 11.889 3.378 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -4.984 11.647 1.271 1.00 0.00 O ATOM 0 H ASP A 98 -2.343 11.231 3.890 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.922 10.556 1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.501 13.282 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.808 12.793 0.732 1.00 0.00 H new ATOM 1518 N LEU A 99 0.258 11.568 0.441 1.00 0.00 N ATOM 1519 CA LEU A 99 1.624 11.977 0.100 1.00 0.00 C ATOM 1520 C LEU A 99 1.699 13.427 -0.401 1.00 0.00 C ATOM 1521 O LEU A 99 1.558 13.697 -1.596 1.00 0.00 O ATOM 1522 CB LEU A 99 2.226 11.024 -0.946 1.00 0.00 C ATOM 1523 CG LEU A 99 2.497 9.594 -0.451 1.00 0.00 C ATOM 1524 CD1 LEU A 99 3.043 8.724 -1.581 1.00 0.00 C ATOM 1525 CD2 LEU A 99 3.461 9.615 0.735 1.00 0.00 C ATOM 0 H LEU A 99 -0.197 10.990 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 99 2.208 11.923 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.550 10.974 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.162 11.450 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 99 1.554 9.159 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.227 7.717 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.316 8.683 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.976 9.150 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.643 8.595 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.404 10.070 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.025 10.195 1.548 1.00 0.00 H new ATOM 1537 N ASP A 100 1.907 14.360 0.525 1.00 0.00 N ATOM 1538 CA ASP A 100 2.194 15.750 0.166 1.00 0.00 C ATOM 1539 C ASP A 100 3.663 15.903 -0.263 1.00 0.00 C ATOM 1540 O ASP A 100 4.570 15.961 0.573 1.00 0.00 O ATOM 1541 CB ASP A 100 1.879 16.689 1.337 1.00 0.00 C ATOM 1542 CG ASP A 100 0.392 16.756 1.641 1.00 0.00 C ATOM 1543 OD1 ASP A 100 -0.355 17.352 0.836 1.00 0.00 O ATOM 1544 OD2 ASP A 100 -0.037 16.226 2.689 1.00 0.00 O ATOM 0 H ASP A 100 1.883 14.181 1.529 1.00 0.00 H new ATOM 0 HA ASP A 100 1.556 16.024 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.414 16.351 2.225 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.245 17.689 1.106 1.00 0.00 H new ATOM 1549 N LEU A 101 3.890 15.937 -1.574 1.00 0.00 N ATOM 1550 CA LEU A 101 5.242 16.038 -2.136 1.00 0.00 C ATOM 1551 C LEU A 101 5.486 17.402 -2.804 1.00 0.00 C ATOM 1552 O LEU A 101 4.561 18.037 -3.316 1.00 0.00 O ATOM 1553 CB LEU A 101 5.487 14.873 -3.112 1.00 0.00 C ATOM 1554 CG LEU A 101 4.272 14.433 -3.955 1.00 0.00 C ATOM 1555 CD1 LEU A 101 4.004 15.403 -5.106 1.00 0.00 C ATOM 1556 CD2 LEU A 101 4.467 13.006 -4.465 1.00 0.00 C ATOM 0 H LEU A 101 3.151 15.896 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 101 5.961 15.965 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.292 15.156 -3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.839 14.014 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 101 3.392 14.450 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.141 15.060 -5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.802 16.396 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.877 15.445 -5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.602 12.710 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.363 12.960 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.575 12.329 -3.618 1.00 0.00 H new ATOM 1568 N ASP A 102 6.742 17.846 -2.804 1.00 0.00 N ATOM 1569 CA ASP A 102 7.078 19.211 -3.225 1.00 0.00 C ATOM 1570 C ASP A 102 8.354 19.248 -4.097 1.00 0.00 C ATOM 1571 O ASP A 102 9.043 18.235 -4.251 1.00 0.00 O ATOM 1572 CB ASP A 102 7.245 20.082 -1.968 1.00 0.00 C ATOM 1573 CG ASP A 102 7.210 21.570 -2.265 1.00 0.00 C ATOM 1574 OD1 ASP A 102 6.103 22.150 -2.293 1.00 0.00 O ATOM 1575 OD2 ASP A 102 8.281 22.166 -2.484 1.00 0.00 O ATOM 0 H ASP A 102 7.544 17.284 -2.518 1.00 0.00 H new ATOM 0 HA ASP A 102 6.270 19.601 -3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.454 19.841 -1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.191 19.836 -1.486 1.00 0.00 H new ATOM 1580 N ALA A 103 8.637 20.420 -4.678 1.00 0.00 N ATOM 1581 CA ALA A 103 9.842 20.655 -5.494 1.00 0.00 C ATOM 1582 C ALA A 103 9.975 19.678 -6.677 1.00 0.00 C ATOM 1583 O ALA A 103 9.584 19.995 -7.801 1.00 0.00 O ATOM 1584 CB ALA A 103 11.095 20.618 -4.622 1.00 0.00 C ATOM 0 H ALA A 103 8.035 21.239 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 103 9.733 21.649 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.975 20.793 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.029 21.392 -3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.177 19.642 -4.144 1.00 0.00 H new ATOM 1590 N ASP A 104 10.521 18.490 -6.420 1.00 0.00 N ATOM 1591 CA ASP A 104 10.748 17.493 -7.472 1.00 0.00 C ATOM 1592 C ASP A 104 9.540 16.558 -7.623 1.00 0.00 C ATOM 1593 O ASP A 104 9.443 15.796 -8.586 1.00 0.00 O ATOM 1594 CB ASP A 104 11.997 16.667 -7.151 1.00 0.00 C ATOM 1595 CG ASP A 104 13.222 17.532 -6.925 1.00 0.00 C ATOM 1596 OD1 ASP A 104 13.768 18.066 -7.909 1.00 0.00 O ATOM 1597 OD2 ASP A 104 13.648 17.678 -5.762 1.00 0.00 O ATOM 0 H ASP A 104 10.816 18.192 -5.490 1.00 0.00 H new ATOM 0 HA ASP A 104 10.891 18.025 -8.412 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.812 16.065 -6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.191 15.974 -7.970 1.00 0.00 H new ATOM 1602 N GLY A 105 8.622 16.625 -6.661 1.00 0.00 N ATOM 1603 CA GLY A 105 7.482 15.723 -6.651 1.00 0.00 C ATOM 1604 C GLY A 105 7.792 14.399 -5.960 1.00 0.00 C ATOM 1605 O GLY A 105 7.180 13.372 -6.261 1.00 0.00 O ATOM 0 H GLY A 105 8.648 17.289 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.645 16.206 -6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.167 15.529 -7.676 1.00 0.00 H new ATOM 1609 N VAL A 106 8.749 14.427 -5.031 1.00 0.00 N ATOM 1610 CA VAL A 106 9.145 13.232 -4.274 1.00 0.00 C ATOM 1611 C VAL A 106 8.509 13.234 -2.872 1.00 0.00 C ATOM 1612 O VAL A 106 8.637 14.209 -2.129 1.00 0.00 O ATOM 1613 CB VAL A 106 10.689 13.145 -4.134 1.00 0.00 C ATOM 1614 CG1 VAL A 106 11.105 11.885 -3.370 1.00 0.00 C ATOM 1615 CG2 VAL A 106 11.356 13.196 -5.508 1.00 0.00 C ATOM 0 H VAL A 106 9.269 15.269 -4.782 1.00 0.00 H new ATOM 0 HA VAL A 106 8.789 12.364 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 106 11.025 14.007 -3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 106 12.191 11.851 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.666 11.903 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.754 11.003 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.438 13.134 -5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.008 12.358 -6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.098 14.132 -6.003 1.00 0.00 H new ATOM 1625 N PRO A 107 7.799 12.152 -2.496 1.00 0.00 N ATOM 1626 CA PRO A 107 7.164 12.045 -1.168 1.00 0.00 C ATOM 1627 C PRO A 107 8.187 11.927 -0.024 1.00 0.00 C ATOM 1628 O PRO A 107 9.200 11.230 -0.140 1.00 0.00 O ATOM 1629 CB PRO A 107 6.322 10.768 -1.279 1.00 0.00 C ATOM 1630 CG PRO A 107 7.001 9.962 -2.332 1.00 0.00 C ATOM 1631 CD PRO A 107 7.549 10.955 -3.323 1.00 0.00 C ATOM 0 HA PRO A 107 6.584 12.935 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.287 10.232 -0.330 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.292 10.995 -1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 107 7.799 9.355 -1.905 1.00 0.00 H new ATOM 0 HG3 PRO A 107 6.302 9.277 -2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 107 8.463 10.592 -3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.838 11.160 -4.123 1.00 0.00 H new ATOM 1639 N GLN A 108 7.902 12.594 1.091 1.00 0.00 N ATOM 1640 CA GLN A 108 8.838 12.646 2.220 1.00 0.00 C ATOM 1641 C GLN A 108 8.710 11.416 3.140 1.00 0.00 C ATOM 1642 O GLN A 108 7.950 11.418 4.113 1.00 0.00 O ATOM 1643 CB GLN A 108 8.630 13.939 3.027 1.00 0.00 C ATOM 1644 CG GLN A 108 8.777 15.215 2.198 1.00 0.00 C ATOM 1645 CD GLN A 108 10.133 15.335 1.512 1.00 0.00 C ATOM 1646 OE1 GLN A 108 11.143 14.835 2.002 1.00 0.00 O ATOM 1647 NE2 GLN A 108 10.168 16.002 0.379 1.00 0.00 N ATOM 0 H GLN A 108 7.033 13.107 1.241 1.00 0.00 H new ATOM 0 HA GLN A 108 9.846 12.638 1.805 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.637 13.921 3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.349 13.964 3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 108 7.992 15.242 1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.627 16.080 2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.312 16.405 -0.002 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.051 16.116 -0.119 1.00 0.00 H new ATOM 1656 N LEU A 109 9.444 10.349 2.819 1.00 0.00 N ATOM 1657 CA LEU A 109 9.469 9.150 3.670 1.00 0.00 C ATOM 1658 C LEU A 109 10.637 9.171 4.666 1.00 0.00 C ATOM 1659 O LEU A 109 10.736 8.295 5.522 1.00 0.00 O ATOM 1660 CB LEU A 109 9.503 7.860 2.828 1.00 0.00 C ATOM 1661 CG LEU A 109 8.127 7.342 2.364 1.00 0.00 C ATOM 1662 CD1 LEU A 109 7.449 8.335 1.426 1.00 0.00 C ATOM 1663 CD2 LEU A 109 8.254 5.969 1.709 1.00 0.00 C ATOM 0 H LEU A 109 10.026 10.287 1.984 1.00 0.00 H new ATOM 0 HA LEU A 109 8.543 9.160 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.123 8.036 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.990 7.078 3.410 1.00 0.00 H new ATOM 0 HG LEU A 109 7.496 7.238 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.481 7.941 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.306 9.284 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.075 8.491 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.270 5.625 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.912 6.039 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.671 5.261 2.425 1.00 0.00 H new ATOM 1675 N GLY A 110 11.499 10.183 4.572 1.00 0.00 N ATOM 1676 CA GLY A 110 12.593 10.331 5.533 1.00 0.00 C ATOM 1677 C GLY A 110 12.097 10.467 6.971 1.00 0.00 C ATOM 1678 O GLY A 110 12.752 10.020 7.911 1.00 0.00 O ATOM 0 H GLY A 110 11.463 10.904 3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.254 9.468 5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.185 11.208 5.272 1.00 0.00 H new ATOM 1682 N ASP A 111 10.937 11.102 7.134 1.00 0.00 N ATOM 1683 CA ASP A 111 10.268 11.198 8.439 1.00 0.00 C ATOM 1684 C ASP A 111 9.622 9.856 8.833 1.00 0.00 C ATOM 1685 O ASP A 111 9.475 9.539 10.012 1.00 0.00 O ATOM 1686 CB ASP A 111 9.192 12.287 8.386 1.00 0.00 C ATOM 1687 CG ASP A 111 9.737 13.616 7.895 1.00 0.00 C ATOM 1688 OD1 ASP A 111 9.985 13.743 6.679 1.00 0.00 O ATOM 1689 OD2 ASP A 111 9.922 14.537 8.719 1.00 0.00 O ATOM 0 H ASP A 111 10.435 11.562 6.375 1.00 0.00 H new ATOM 0 HA ASP A 111 11.017 11.452 9.189 1.00 0.00 H new ATOM 0 HB2 ASP A 111 8.384 11.964 7.729 1.00 0.00 H new ATOM 0 HB3 ASP A 111 8.763 12.418 9.379 1.00 0.00 H new ATOM 1694 N HIS A 112 9.229 9.082 7.822 1.00 0.00 N ATOM 1695 CA HIS A 112 8.587 7.781 8.022 1.00 0.00 C ATOM 1696 C HIS A 112 9.582 6.712 8.509 1.00 0.00 C ATOM 1697 O HIS A 112 9.300 5.963 9.445 1.00 0.00 O ATOM 1698 CB HIS A 112 7.950 7.331 6.700 1.00 0.00 C ATOM 1699 CG HIS A 112 6.746 8.129 6.304 1.00 0.00 C ATOM 1700 ND1 HIS A 112 6.799 9.427 5.835 1.00 0.00 N ATOM 1701 CD2 HIS A 112 5.442 7.793 6.312 1.00 0.00 C ATOM 1702 CE1 HIS A 112 5.577 9.848 5.575 1.00 0.00 C ATOM 1703 NE2 HIS A 112 4.733 8.877 5.856 1.00 0.00 N ATOM 0 H HIS A 112 9.346 9.338 6.842 1.00 0.00 H new ATOM 0 HA HIS A 112 7.827 7.894 8.795 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.695 7.398 5.907 1.00 0.00 H new ATOM 0 HB3 HIS A 112 7.667 6.282 6.783 1.00 0.00 H new ATOM 0 HD1 HIS A 112 7.651 9.974 5.709 1.00 0.00 H new ATOM 0 HD2 HIS A 112 5.029 6.844 6.621 1.00 0.00 H new ATOM 0 HE1 HIS A 112 5.313 10.824 5.196 1.00 0.00 H new ATOM 1712 N LEU A 113 10.745 6.650 7.867 1.00 0.00 N ATOM 1713 CA LEU A 113 11.719 5.581 8.121 1.00 0.00 C ATOM 1714 C LEU A 113 12.639 5.894 9.317 1.00 0.00 C ATOM 1715 O LEU A 113 12.632 7.004 9.852 1.00 0.00 O ATOM 1716 CB LEU A 113 12.554 5.332 6.856 1.00 0.00 C ATOM 1717 CG LEU A 113 11.741 5.115 5.564 1.00 0.00 C ATOM 1718 CD1 LEU A 113 12.658 4.756 4.395 1.00 0.00 C ATOM 1719 CD2 LEU A 113 10.662 4.049 5.766 1.00 0.00 C ATOM 0 H LEU A 113 11.041 7.327 7.164 1.00 0.00 H new ATOM 0 HA LEU A 113 11.161 4.681 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.221 6.181 6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.183 4.457 7.022 1.00 0.00 H new ATOM 0 HG LEU A 113 11.241 6.052 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.060 4.608 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.369 5.565 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.199 3.839 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.104 3.916 4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.131 3.105 6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.982 4.365 6.557 1.00 0.00 H new ATOM 1731 N ALA A 114 13.434 4.903 9.726 1.00 0.00 N ATOM 1732 CA ALA A 114 14.325 5.043 10.883 1.00 0.00 C ATOM 1733 C ALA A 114 15.599 5.828 10.526 1.00 0.00 C ATOM 1734 O ALA A 114 16.486 5.321 9.835 1.00 0.00 O ATOM 1735 CB ALA A 114 14.681 3.666 11.439 1.00 0.00 C ATOM 0 H ALA A 114 13.480 3.991 9.272 1.00 0.00 H new ATOM 0 HA ALA A 114 13.796 5.611 11.648 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.343 3.780 12.298 1.00 0.00 H new ATOM 0 HB2 ALA A 114 13.771 3.152 11.748 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.184 3.081 10.669 1.00 0.00 H new ATOM 1741 N LEU A 115 15.677 7.071 10.996 1.00 0.00 N ATOM 1742 CA LEU A 115 16.827 7.939 10.719 1.00 0.00 C ATOM 1743 C LEU A 115 17.901 7.829 11.811 1.00 0.00 C ATOM 1744 O LEU A 115 19.097 7.776 11.520 1.00 0.00 O ATOM 1745 CB LEU A 115 16.361 9.397 10.585 1.00 0.00 C ATOM 1746 CG LEU A 115 17.469 10.425 10.292 1.00 0.00 C ATOM 1747 CD1 LEU A 115 18.161 10.119 8.964 1.00 0.00 C ATOM 1748 CD2 LEU A 115 16.898 11.842 10.297 1.00 0.00 C ATOM 0 H LEU A 115 14.956 7.504 11.573 1.00 0.00 H new ATOM 0 HA LEU A 115 17.274 7.609 9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 115 15.620 9.451 9.787 1.00 0.00 H new ATOM 0 HB3 LEU A 115 15.858 9.685 11.508 1.00 0.00 H new ATOM 0 HG LEU A 115 18.218 10.355 11.081 1.00 0.00 H new ATOM 0 HD11 LEU A 115 18.939 10.860 8.780 1.00 0.00 H new ATOM 0 HD12 LEU A 115 18.608 9.126 9.007 1.00 0.00 H new ATOM 0 HD13 LEU A 115 17.430 10.153 8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 115 17.695 12.556 10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 115 16.126 11.926 9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 115 16.465 12.057 11.274 1.00 0.00 H new ATOM 1760 N GLU A 116 17.469 7.759 13.064 1.00 0.00 N ATOM 1761 CA GLU A 116 18.391 7.791 14.212 1.00 0.00 C ATOM 1762 C GLU A 116 19.163 6.476 14.420 1.00 0.00 C ATOM 1763 O GLU A 116 19.844 6.307 15.432 1.00 0.00 O ATOM 1764 CB GLU A 116 17.631 8.162 15.492 1.00 0.00 C ATOM 1765 CG GLU A 116 17.158 9.612 15.520 1.00 0.00 C ATOM 1766 CD GLU A 116 18.308 10.600 15.375 1.00 0.00 C ATOM 1767 OE1 GLU A 116 19.068 10.783 16.350 1.00 0.00 O ATOM 1768 OE2 GLU A 116 18.462 11.189 14.282 1.00 0.00 O ATOM 0 H GLU A 116 16.485 7.679 13.320 1.00 0.00 H new ATOM 0 HA GLU A 116 19.136 8.553 13.984 1.00 0.00 H new ATOM 0 HB2 GLU A 116 16.768 7.504 15.596 1.00 0.00 H new ATOM 0 HB3 GLU A 116 18.275 7.981 16.353 1.00 0.00 H new ATOM 0 HG2 GLU A 116 16.440 9.773 14.715 1.00 0.00 H new ATOM 0 HG3 GLU A 116 16.635 9.803 16.457 1.00 0.00 H new TER 1775 GLU A 116