USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 526 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 Set 1.1: A 42 MET CE :methyl 155:sc= -0.956 (180deg=-3.44) USER MOD Set 1.2: A 56 HIS : no HD1:sc= -0.262 K(o=-1.2,f=-2.3) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0499 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -117:sc= 0.833 USER MOD Single : A 12 SER OG : rot 162:sc= 0.0589 USER MOD Single : A 19 CYS SG : rot 47:sc= 0.131 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 148:sc= 1.94 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.5 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.11) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.00061) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.086 X(o=-0.086,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.24) USER MOD Single : A 69 HIS : no HD1:sc= -0.0535 X(o=-0.054,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 -11.397 8.138 -9.593 1.00 0.00 N ATOM 2 CA PRO A 5 -10.211 8.809 -8.995 1.00 0.00 C ATOM 3 C PRO A 5 -10.649 9.812 -7.925 1.00 0.00 C ATOM 4 O PRO A 5 -9.984 10.803 -7.684 1.00 0.00 O ATOM 5 CB PRO A 5 -9.560 9.526 -10.174 1.00 0.00 C ATOM 6 CG PRO A 5 -10.668 9.737 -11.150 1.00 0.00 C ATOM 7 CD PRO A 5 -11.626 8.590 -10.973 1.00 0.00 C ATOM 0 HA PRO A 5 -9.532 8.112 -8.503 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.118 10.474 -9.866 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.759 8.927 -10.608 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -11.167 10.689 -10.969 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -10.285 9.767 -12.170 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -12.658 8.907 -11.122 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.430 7.793 -11.691 1.00 0.00 H new ATOM 15 N THR A 6 -11.762 9.561 -7.283 1.00 0.00 N ATOM 16 CA THR A 6 -12.250 10.494 -6.225 1.00 0.00 C ATOM 17 C THR A 6 -11.635 10.154 -4.859 1.00 0.00 C ATOM 18 O THR A 6 -11.845 10.862 -3.892 1.00 0.00 O ATOM 19 CB THR A 6 -13.767 10.293 -6.191 1.00 0.00 C ATOM 20 OG1 THR A 6 -14.057 8.903 -6.143 1.00 0.00 O ATOM 21 CG2 THR A 6 -14.402 10.909 -7.442 1.00 0.00 C ATOM 0 H THR A 6 -12.355 8.747 -7.447 1.00 0.00 H new ATOM 0 HA THR A 6 -11.972 11.526 -6.439 1.00 0.00 H new ATOM 0 HB THR A 6 -14.176 10.782 -5.307 1.00 0.00 H new ATOM 0 HG1 THR A 6 -15.028 8.772 -6.119 1.00 0.00 H new ATOM 0 HG21 THR A 6 -15.482 10.763 -7.412 1.00 0.00 H new ATOM 0 HG22 THR A 6 -14.181 11.976 -7.474 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.995 10.427 -8.331 1.00 0.00 H new ATOM 29 N ASP A 7 -10.883 9.080 -4.765 1.00 0.00 N ATOM 30 CA ASP A 7 -10.266 8.711 -3.457 1.00 0.00 C ATOM 31 C ASP A 7 -8.837 8.197 -3.662 1.00 0.00 C ATOM 32 O ASP A 7 -8.468 7.778 -4.743 1.00 0.00 O ATOM 33 CB ASP A 7 -11.171 7.607 -2.891 1.00 0.00 C ATOM 34 CG ASP A 7 -11.175 6.379 -3.816 1.00 0.00 C ATOM 35 OD1 ASP A 7 -10.773 6.511 -4.961 1.00 0.00 O ATOM 36 OD2 ASP A 7 -11.581 5.323 -3.358 1.00 0.00 O ATOM 0 H ASP A 7 -10.673 8.448 -5.537 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.192 9.562 -2.780 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.825 7.319 -1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -12.187 7.986 -2.777 1.00 0.00 H new ATOM 41 N CYS A 8 -8.040 8.219 -2.626 1.00 0.00 N ATOM 42 CA CYS A 8 -6.640 7.730 -2.735 1.00 0.00 C ATOM 43 C CYS A 8 -6.505 6.351 -2.077 1.00 0.00 C ATOM 44 O CYS A 8 -5.425 5.945 -1.695 1.00 0.00 O ATOM 45 CB CYS A 8 -5.819 8.765 -1.974 1.00 0.00 C ATOM 46 SG CYS A 8 -5.603 10.240 -2.998 1.00 0.00 S ATOM 0 H CYS A 8 -8.305 8.559 -1.701 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.315 7.618 -3.769 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.320 9.027 -1.042 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.847 8.349 -1.708 1.00 0.00 H new ATOM 0 HG CYS A 8 -4.905 11.122 -2.347 1.00 0.00 H new ATOM 52 N SER A 9 -7.600 5.650 -1.904 1.00 0.00 N ATOM 53 CA SER A 9 -7.542 4.320 -1.225 1.00 0.00 C ATOM 54 C SER A 9 -6.619 3.353 -1.974 1.00 0.00 C ATOM 55 O SER A 9 -5.817 3.751 -2.797 1.00 0.00 O ATOM 56 CB SER A 9 -8.981 3.798 -1.239 1.00 0.00 C ATOM 57 OG SER A 9 -9.403 3.614 -2.585 1.00 0.00 O ATOM 0 H SER A 9 -8.530 5.942 -2.204 1.00 0.00 H new ATOM 0 HA SER A 9 -7.143 4.407 -0.215 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.043 2.856 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.640 4.503 -0.733 1.00 0.00 H new ATOM 0 HG SER A 9 -10.156 4.212 -2.777 1.00 0.00 H new ATOM 63 N ILE A 10 -6.716 2.086 -1.666 1.00 0.00 N ATOM 64 CA ILE A 10 -5.836 1.068 -2.321 1.00 0.00 C ATOM 65 C ILE A 10 -6.204 0.893 -3.800 1.00 0.00 C ATOM 66 O ILE A 10 -5.341 0.724 -4.635 1.00 0.00 O ATOM 67 CB ILE A 10 -6.082 -0.233 -1.535 1.00 0.00 C ATOM 68 CG1 ILE A 10 -5.688 -0.030 -0.059 1.00 0.00 C ATOM 69 CG2 ILE A 10 -5.259 -1.385 -2.137 1.00 0.00 C ATOM 70 CD1 ILE A 10 -4.203 0.336 0.053 1.00 0.00 C ATOM 0 H ILE A 10 -7.372 1.708 -0.983 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.787 1.364 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.140 -0.487 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.298 0.759 0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.888 -0.940 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.443 -2.298 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.551 -1.537 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.199 -1.137 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.941 0.476 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.598 -0.467 -0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.013 1.259 -0.495 1.00 0.00 H new ATOM 82 N VAL A 11 -7.471 0.896 -4.123 1.00 0.00 N ATOM 83 CA VAL A 11 -7.886 0.691 -5.551 1.00 0.00 C ATOM 84 C VAL A 11 -7.286 1.780 -6.461 1.00 0.00 C ATOM 85 O VAL A 11 -6.747 1.484 -7.510 1.00 0.00 O ATOM 86 CB VAL A 11 -9.419 0.779 -5.530 1.00 0.00 C ATOM 87 CG1 VAL A 11 -9.979 0.684 -6.954 1.00 0.00 C ATOM 88 CG2 VAL A 11 -9.980 -0.369 -4.688 1.00 0.00 C ATOM 0 H VAL A 11 -8.238 1.031 -3.464 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.534 -0.262 -5.947 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.712 1.736 -5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.067 0.748 -6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.585 1.503 -7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.684 -0.267 -7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.068 -0.310 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.675 -1.321 -5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.597 -0.295 -3.670 1.00 0.00 H new ATOM 98 N SER A 12 -7.390 3.028 -6.081 1.00 0.00 N ATOM 99 CA SER A 12 -6.841 4.130 -6.943 1.00 0.00 C ATOM 100 C SER A 12 -5.334 3.960 -7.157 1.00 0.00 C ATOM 101 O SER A 12 -4.830 4.098 -8.256 1.00 0.00 O ATOM 102 CB SER A 12 -7.107 5.413 -6.161 1.00 0.00 C ATOM 103 OG SER A 12 -6.849 6.535 -6.996 1.00 0.00 O ATOM 0 H SER A 12 -7.830 3.336 -5.214 1.00 0.00 H new ATOM 0 HA SER A 12 -7.304 4.134 -7.930 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.140 5.433 -5.814 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.473 5.451 -5.275 1.00 0.00 H new ATOM 0 HG SER A 12 -7.285 7.329 -6.622 1.00 0.00 H new ATOM 109 N PHE A 13 -4.619 3.685 -6.105 1.00 0.00 N ATOM 110 CA PHE A 13 -3.131 3.525 -6.207 1.00 0.00 C ATOM 111 C PHE A 13 -2.754 2.386 -7.166 1.00 0.00 C ATOM 112 O PHE A 13 -1.820 2.502 -7.937 1.00 0.00 O ATOM 113 CB PHE A 13 -2.686 3.201 -4.773 1.00 0.00 C ATOM 114 CG PHE A 13 -1.188 2.984 -4.709 1.00 0.00 C ATOM 115 CD1 PHE A 13 -0.306 4.067 -4.837 1.00 0.00 C ATOM 116 CD2 PHE A 13 -0.686 1.694 -4.500 1.00 0.00 C ATOM 117 CE1 PHE A 13 1.077 3.855 -4.756 1.00 0.00 C ATOM 118 CE2 PHE A 13 0.696 1.484 -4.423 1.00 0.00 C ATOM 119 CZ PHE A 13 1.576 2.564 -4.551 1.00 0.00 C ATOM 0 H PHE A 13 -4.999 3.562 -5.167 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.649 4.418 -6.605 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.968 4.016 -4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.202 2.308 -4.420 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.692 5.063 -4.998 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.365 0.860 -4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.758 4.688 -4.852 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.083 0.488 -4.265 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.642 2.401 -4.491 1.00 0.00 H new ATOM 129 N LEU A 14 -3.458 1.286 -7.112 1.00 0.00 N ATOM 130 CA LEU A 14 -3.128 0.131 -8.007 1.00 0.00 C ATOM 131 C LEU A 14 -3.302 0.502 -9.484 1.00 0.00 C ATOM 132 O LEU A 14 -2.478 0.172 -10.312 1.00 0.00 O ATOM 133 CB LEU A 14 -4.116 -0.970 -7.619 1.00 0.00 C ATOM 134 CG LEU A 14 -3.790 -1.476 -6.212 1.00 0.00 C ATOM 135 CD1 LEU A 14 -4.906 -2.409 -5.726 1.00 0.00 C ATOM 136 CD2 LEU A 14 -2.459 -2.235 -6.240 1.00 0.00 C ATOM 0 H LEU A 14 -4.249 1.135 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.090 -0.180 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.136 -0.586 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.061 -1.791 -8.334 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.711 -0.628 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.670 -2.767 -4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.851 -1.866 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.991 -3.258 -6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.225 -2.596 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.537 -3.082 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.667 -1.568 -6.579 1.00 0.00 H new ATOM 148 N ALA A 15 -4.373 1.175 -9.818 1.00 0.00 N ATOM 149 CA ALA A 15 -4.607 1.551 -11.251 1.00 0.00 C ATOM 150 C ALA A 15 -3.461 2.427 -11.765 1.00 0.00 C ATOM 151 O ALA A 15 -2.979 2.250 -12.869 1.00 0.00 O ATOM 152 CB ALA A 15 -5.924 2.328 -11.257 1.00 0.00 C ATOM 0 H ALA A 15 -5.095 1.481 -9.166 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.652 0.677 -11.900 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.160 2.636 -12.276 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.723 1.692 -10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.829 3.210 -10.624 1.00 0.00 H new ATOM 158 N ARG A 16 -3.031 3.371 -10.975 1.00 0.00 N ATOM 159 CA ARG A 16 -1.920 4.276 -11.404 1.00 0.00 C ATOM 160 C ARG A 16 -0.642 3.471 -11.656 1.00 0.00 C ATOM 161 O ARG A 16 0.188 3.847 -12.463 1.00 0.00 O ATOM 162 CB ARG A 16 -1.710 5.235 -10.231 1.00 0.00 C ATOM 163 CG ARG A 16 -2.934 6.138 -10.083 1.00 0.00 C ATOM 164 CD ARG A 16 -2.897 7.230 -11.156 1.00 0.00 C ATOM 165 NE ARG A 16 -4.155 8.007 -10.964 1.00 0.00 N ATOM 166 CZ ARG A 16 -4.323 9.136 -11.595 1.00 0.00 C ATOM 167 NH1 ARG A 16 -4.300 9.163 -12.899 1.00 0.00 N ATOM 168 NH2 ARG A 16 -4.513 10.237 -10.922 1.00 0.00 N ATOM 0 H ARG A 16 -3.402 3.558 -10.044 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.158 4.800 -12.329 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.548 4.672 -9.312 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.818 5.839 -10.397 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.847 5.550 -10.179 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.948 6.589 -9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.019 7.866 -11.041 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.849 6.799 -12.156 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.882 7.656 -10.341 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.151 8.302 -13.424 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.431 10.046 -13.393 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.530 10.215 -9.902 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.644 11.120 -11.415 1.00 0.00 H new ATOM 182 N LEU A 17 -0.472 2.380 -10.955 1.00 0.00 N ATOM 183 CA LEU A 17 0.760 1.553 -11.127 1.00 0.00 C ATOM 184 C LEU A 17 0.496 0.337 -12.034 1.00 0.00 C ATOM 185 O LEU A 17 1.295 -0.578 -12.096 1.00 0.00 O ATOM 186 CB LEU A 17 1.107 1.097 -9.711 1.00 0.00 C ATOM 187 CG LEU A 17 2.565 0.646 -9.656 1.00 0.00 C ATOM 188 CD1 LEU A 17 3.479 1.871 -9.755 1.00 0.00 C ATOM 189 CD2 LEU A 17 2.822 -0.075 -8.332 1.00 0.00 C ATOM 0 H LEU A 17 -1.137 2.025 -10.268 1.00 0.00 H new ATOM 0 HA LEU A 17 1.566 2.113 -11.602 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.942 1.912 -9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.452 0.279 -9.412 1.00 0.00 H new ATOM 0 HG LEU A 17 2.771 -0.030 -10.486 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.521 1.552 -9.716 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.293 2.389 -10.696 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.275 2.545 -8.923 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.862 -0.398 -8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.619 0.603 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.169 -0.944 -8.258 1.00 0.00 H new ATOM 201 N GLY A 18 -0.609 0.325 -12.743 1.00 0.00 N ATOM 202 CA GLY A 18 -0.911 -0.826 -13.650 1.00 0.00 C ATOM 203 C GLY A 18 -1.238 -2.077 -12.827 1.00 0.00 C ATOM 204 O GLY A 18 -1.028 -3.190 -13.270 1.00 0.00 O ATOM 0 H GLY A 18 -1.313 1.063 -12.732 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.752 -0.577 -14.297 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.057 -1.021 -14.298 1.00 0.00 H new ATOM 208 N CYS A 19 -1.747 -1.901 -11.635 1.00 0.00 N ATOM 209 CA CYS A 19 -2.090 -3.077 -10.778 1.00 0.00 C ATOM 210 C CYS A 19 -3.610 -3.196 -10.645 1.00 0.00 C ATOM 211 O CYS A 19 -4.329 -2.231 -10.814 1.00 0.00 O ATOM 212 CB CYS A 19 -1.450 -2.787 -9.419 1.00 0.00 C ATOM 213 SG CYS A 19 0.348 -2.669 -9.604 1.00 0.00 S ATOM 0 H CYS A 19 -1.941 -0.991 -11.216 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.729 -4.016 -11.198 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.845 -1.857 -9.011 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.701 -3.577 -8.712 1.00 0.00 H new ATOM 0 HG CYS A 19 0.631 -1.904 -10.617 1.00 0.00 H new ATOM 219 N SER A 20 -4.106 -4.376 -10.351 1.00 0.00 N ATOM 220 CA SER A 20 -5.587 -4.569 -10.211 1.00 0.00 C ATOM 221 C SER A 20 -5.893 -6.015 -9.803 1.00 0.00 C ATOM 222 O SER A 20 -6.793 -6.275 -9.029 1.00 0.00 O ATOM 223 CB SER A 20 -6.170 -4.283 -11.600 1.00 0.00 C ATOM 224 OG SER A 20 -7.488 -4.811 -11.677 1.00 0.00 O ATOM 0 H SER A 20 -3.547 -5.216 -10.202 1.00 0.00 H new ATOM 0 HA SER A 20 -6.011 -3.916 -9.448 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.185 -3.209 -11.786 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.541 -4.731 -12.370 1.00 0.00 H new ATOM 0 HG SER A 20 -7.863 -4.628 -12.564 1.00 0.00 H new ATOM 230 N SER A 21 -5.155 -6.954 -10.337 1.00 0.00 N ATOM 231 CA SER A 21 -5.395 -8.396 -10.009 1.00 0.00 C ATOM 232 C SER A 21 -5.011 -8.707 -8.558 1.00 0.00 C ATOM 233 O SER A 21 -5.502 -9.656 -7.976 1.00 0.00 O ATOM 234 CB SER A 21 -4.507 -9.179 -10.976 1.00 0.00 C ATOM 235 OG SER A 21 -5.033 -9.064 -12.292 1.00 0.00 O ATOM 0 H SER A 21 -4.391 -6.785 -10.991 1.00 0.00 H new ATOM 0 HA SER A 21 -6.448 -8.659 -10.110 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.487 -8.795 -10.944 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.462 -10.227 -10.680 1.00 0.00 H new ATOM 0 HG SER A 21 -4.466 -9.563 -12.916 1.00 0.00 H new ATOM 241 N CYS A 22 -4.151 -7.916 -7.965 1.00 0.00 N ATOM 242 CA CYS A 22 -3.752 -8.171 -6.544 1.00 0.00 C ATOM 243 C CYS A 22 -4.688 -7.431 -5.572 1.00 0.00 C ATOM 244 O CYS A 22 -4.514 -7.493 -4.369 1.00 0.00 O ATOM 245 CB CYS A 22 -2.325 -7.634 -6.430 1.00 0.00 C ATOM 246 SG CYS A 22 -1.174 -8.822 -7.168 1.00 0.00 S ATOM 0 H CYS A 22 -3.709 -7.107 -8.401 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.814 -9.229 -6.288 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.245 -6.672 -6.936 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.070 -7.466 -5.384 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.166 -8.185 -7.686 1.00 0.00 H new ATOM 252 N LEU A 23 -5.671 -6.722 -6.084 1.00 0.00 N ATOM 253 CA LEU A 23 -6.604 -5.970 -5.189 1.00 0.00 C ATOM 254 C LEU A 23 -7.324 -6.933 -4.239 1.00 0.00 C ATOM 255 O LEU A 23 -7.536 -6.622 -3.085 1.00 0.00 O ATOM 256 CB LEU A 23 -7.616 -5.306 -6.131 1.00 0.00 C ATOM 257 CG LEU A 23 -8.632 -4.498 -5.317 1.00 0.00 C ATOM 258 CD1 LEU A 23 -7.959 -3.253 -4.739 1.00 0.00 C ATOM 259 CD2 LEU A 23 -9.795 -4.082 -6.222 1.00 0.00 C ATOM 0 H LEU A 23 -5.864 -6.634 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.077 -5.243 -4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.098 -4.653 -6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.130 -6.065 -6.720 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.010 -5.112 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.686 -2.682 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.135 -3.552 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.576 -2.636 -5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.518 -3.507 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.418 -3.471 -7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.278 -4.972 -6.626 1.00 0.00 H new ATOM 271 N ASP A 24 -7.722 -8.086 -4.717 1.00 0.00 N ATOM 272 CA ASP A 24 -8.458 -9.062 -3.842 1.00 0.00 C ATOM 273 C ASP A 24 -7.716 -9.306 -2.519 1.00 0.00 C ATOM 274 O ASP A 24 -8.332 -9.486 -1.484 1.00 0.00 O ATOM 275 CB ASP A 24 -8.522 -10.354 -4.659 1.00 0.00 C ATOM 276 CG ASP A 24 -9.479 -10.168 -5.839 1.00 0.00 C ATOM 277 OD1 ASP A 24 -10.601 -9.751 -5.606 1.00 0.00 O ATOM 278 OD2 ASP A 24 -9.074 -10.452 -6.954 1.00 0.00 O ATOM 0 H ASP A 24 -7.571 -8.398 -5.676 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.445 -8.687 -3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.528 -10.617 -5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.860 -11.178 -4.030 1.00 0.00 H new ATOM 283 N TYR A 25 -6.409 -9.332 -2.541 1.00 0.00 N ATOM 284 CA TYR A 25 -5.641 -9.583 -1.279 1.00 0.00 C ATOM 285 C TYR A 25 -5.867 -8.448 -0.272 1.00 0.00 C ATOM 286 O TYR A 25 -5.990 -8.682 0.914 1.00 0.00 O ATOM 287 CB TYR A 25 -4.173 -9.628 -1.705 1.00 0.00 C ATOM 288 CG TYR A 25 -3.930 -10.877 -2.514 1.00 0.00 C ATOM 289 CD1 TYR A 25 -4.000 -12.133 -1.902 1.00 0.00 C ATOM 290 CD2 TYR A 25 -3.636 -10.778 -3.878 1.00 0.00 C ATOM 291 CE1 TYR A 25 -3.779 -13.291 -2.655 1.00 0.00 C ATOM 292 CE2 TYR A 25 -3.412 -11.936 -4.631 1.00 0.00 C ATOM 293 CZ TYR A 25 -3.484 -13.192 -4.019 1.00 0.00 C ATOM 294 OH TYR A 25 -3.264 -14.335 -4.764 1.00 0.00 O ATOM 0 H TYR A 25 -5.839 -9.191 -3.375 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.956 -10.505 -0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.926 -8.745 -2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.527 -9.617 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.225 -12.209 -0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.582 -9.808 -4.350 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.836 -14.261 -2.184 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.184 -11.860 -5.684 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.073 -14.088 -5.693 1.00 0.00 H new ATOM 304 N PHE A 26 -5.909 -7.225 -0.733 1.00 0.00 N ATOM 305 CA PHE A 26 -6.115 -6.078 0.205 1.00 0.00 C ATOM 306 C PHE A 26 -7.544 -6.072 0.766 1.00 0.00 C ATOM 307 O PHE A 26 -7.755 -5.778 1.920 1.00 0.00 O ATOM 308 CB PHE A 26 -5.868 -4.818 -0.626 1.00 0.00 C ATOM 309 CG PHE A 26 -4.399 -4.705 -0.963 1.00 0.00 C ATOM 310 CD1 PHE A 26 -3.531 -4.063 -0.072 1.00 0.00 C ATOM 311 CD2 PHE A 26 -3.907 -5.230 -2.164 1.00 0.00 C ATOM 312 CE1 PHE A 26 -2.170 -3.947 -0.380 1.00 0.00 C ATOM 313 CE2 PHE A 26 -2.546 -5.115 -2.471 1.00 0.00 C ATOM 314 CZ PHE A 26 -1.678 -4.474 -1.579 1.00 0.00 C ATOM 0 H PHE A 26 -5.810 -6.970 -1.716 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.443 -6.143 1.061 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.459 -4.854 -1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.192 -3.937 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.911 -3.657 0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.577 -5.723 -2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.501 -3.451 0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.165 -5.521 -3.397 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.628 -4.386 -1.817 1.00 0.00 H new ATOM 324 N THR A 27 -8.520 -6.372 -0.050 1.00 0.00 N ATOM 325 CA THR A 27 -9.938 -6.352 0.442 1.00 0.00 C ATOM 326 C THR A 27 -10.218 -7.500 1.426 1.00 0.00 C ATOM 327 O THR A 27 -10.864 -7.297 2.438 1.00 0.00 O ATOM 328 CB THR A 27 -10.838 -6.448 -0.801 1.00 0.00 C ATOM 329 OG1 THR A 27 -12.197 -6.476 -0.389 1.00 0.00 O ATOM 330 CG2 THR A 27 -10.535 -7.714 -1.606 1.00 0.00 C ATOM 0 H THR A 27 -8.403 -6.629 -1.030 1.00 0.00 H new ATOM 0 HA THR A 27 -10.136 -5.434 0.996 1.00 0.00 H new ATOM 0 HB THR A 27 -10.646 -5.581 -1.434 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.777 -6.536 -1.177 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.187 -7.755 -2.479 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.494 -7.699 -1.930 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.708 -8.591 -0.983 1.00 0.00 H new ATOM 338 N THR A 28 -9.752 -8.693 1.149 1.00 0.00 N ATOM 339 CA THR A 28 -10.012 -9.834 2.086 1.00 0.00 C ATOM 340 C THR A 28 -9.259 -9.656 3.413 1.00 0.00 C ATOM 341 O THR A 28 -9.538 -10.341 4.380 1.00 0.00 O ATOM 342 CB THR A 28 -9.540 -11.097 1.353 1.00 0.00 C ATOM 343 OG1 THR A 28 -9.822 -12.234 2.157 1.00 0.00 O ATOM 344 CG2 THR A 28 -8.035 -11.028 1.082 1.00 0.00 C ATOM 0 H THR A 28 -9.206 -8.927 0.320 1.00 0.00 H new ATOM 0 HA THR A 28 -11.069 -9.893 2.346 1.00 0.00 H new ATOM 0 HB THR A 28 -10.065 -11.172 0.400 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.524 -13.044 1.693 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.717 -11.932 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.816 -10.157 0.464 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.498 -10.946 2.027 1.00 0.00 H new ATOM 352 N GLN A 29 -8.291 -8.770 3.465 1.00 0.00 N ATOM 353 CA GLN A 29 -7.508 -8.584 4.727 1.00 0.00 C ATOM 354 C GLN A 29 -8.054 -7.426 5.584 1.00 0.00 C ATOM 355 O GLN A 29 -7.621 -7.234 6.705 1.00 0.00 O ATOM 356 CB GLN A 29 -6.095 -8.278 4.238 1.00 0.00 C ATOM 357 CG GLN A 29 -5.539 -9.494 3.489 1.00 0.00 C ATOM 358 CD GLN A 29 -4.917 -10.476 4.483 1.00 0.00 C ATOM 359 OE1 GLN A 29 -4.530 -10.096 5.570 1.00 0.00 O ATOM 360 NE2 GLN A 29 -4.796 -11.733 4.151 1.00 0.00 N ATOM 0 H GLN A 29 -8.011 -8.170 2.689 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.559 -9.462 5.371 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.106 -7.407 3.582 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.452 -8.032 5.083 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.336 -9.984 2.930 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.791 -9.175 2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.121 -12.053 3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.377 -12.395 4.804 1.00 0.00 H new ATOM 369 N GLY A 30 -8.995 -6.659 5.081 1.00 0.00 N ATOM 370 CA GLY A 30 -9.554 -5.525 5.889 1.00 0.00 C ATOM 371 C GLY A 30 -8.798 -4.220 5.591 1.00 0.00 C ATOM 372 O GLY A 30 -8.825 -3.287 6.372 1.00 0.00 O ATOM 0 H GLY A 30 -9.398 -6.768 4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.613 -5.398 5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.481 -5.759 6.951 1.00 0.00 H new ATOM 376 N LEU A 31 -8.137 -4.148 4.467 1.00 0.00 N ATOM 377 CA LEU A 31 -7.387 -2.909 4.098 1.00 0.00 C ATOM 378 C LEU A 31 -8.048 -2.229 2.898 1.00 0.00 C ATOM 379 O LEU A 31 -8.108 -2.786 1.817 1.00 0.00 O ATOM 380 CB LEU A 31 -5.989 -3.395 3.727 1.00 0.00 C ATOM 381 CG LEU A 31 -5.274 -3.892 4.989 1.00 0.00 C ATOM 382 CD1 LEU A 31 -5.235 -5.422 4.992 1.00 0.00 C ATOM 383 CD2 LEU A 31 -3.844 -3.345 5.017 1.00 0.00 C ATOM 0 H LEU A 31 -8.083 -4.901 3.781 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.369 -2.180 4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.054 -4.197 2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.420 -2.587 3.267 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.814 -3.543 5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.726 -5.771 5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.253 -5.812 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.698 -5.774 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.337 -3.699 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.305 -3.691 4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.871 -2.255 5.021 1.00 0.00 H new ATOM 395 N THR A 32 -8.548 -1.033 3.080 1.00 0.00 N ATOM 396 CA THR A 32 -9.211 -0.318 1.949 1.00 0.00 C ATOM 397 C THR A 32 -8.711 1.128 1.839 1.00 0.00 C ATOM 398 O THR A 32 -9.409 1.984 1.328 1.00 0.00 O ATOM 399 CB THR A 32 -10.704 -0.342 2.282 1.00 0.00 C ATOM 400 OG1 THR A 32 -10.918 0.296 3.533 1.00 0.00 O ATOM 401 CG2 THR A 32 -11.191 -1.790 2.354 1.00 0.00 C ATOM 0 H THR A 32 -8.526 -0.522 3.962 1.00 0.00 H new ATOM 0 HA THR A 32 -8.993 -0.793 0.992 1.00 0.00 H new ATOM 0 HB THR A 32 -11.258 0.185 1.505 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.874 0.283 3.747 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.255 -1.805 2.591 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.027 -2.277 1.393 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.639 -2.321 3.129 1.00 0.00 H new ATOM 409 N THR A 33 -7.513 1.414 2.298 1.00 0.00 N ATOM 410 CA THR A 33 -6.992 2.812 2.195 1.00 0.00 C ATOM 411 C THR A 33 -5.459 2.823 2.137 1.00 0.00 C ATOM 412 O THR A 33 -4.794 2.043 2.798 1.00 0.00 O ATOM 413 CB THR A 33 -7.488 3.524 3.453 1.00 0.00 C ATOM 414 OG1 THR A 33 -7.264 2.696 4.584 1.00 0.00 O ATOM 415 CG2 THR A 33 -8.982 3.821 3.321 1.00 0.00 C ATOM 0 H THR A 33 -6.880 0.744 2.735 1.00 0.00 H new ATOM 0 HA THR A 33 -7.339 3.303 1.286 1.00 0.00 H new ATOM 0 HB THR A 33 -6.946 4.461 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.580 3.153 5.391 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.333 4.329 4.219 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.151 4.460 2.454 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.529 2.887 3.195 1.00 0.00 H new ATOM 423 N ILE A 34 -4.896 3.709 1.352 1.00 0.00 N ATOM 424 CA ILE A 34 -3.413 3.790 1.243 1.00 0.00 C ATOM 425 C ILE A 34 -2.797 4.191 2.589 1.00 0.00 C ATOM 426 O ILE A 34 -1.694 3.796 2.918 1.00 0.00 O ATOM 427 CB ILE A 34 -3.143 4.849 0.164 1.00 0.00 C ATOM 428 CG1 ILE A 34 -1.655 4.843 -0.157 1.00 0.00 C ATOM 429 CG2 ILE A 34 -3.565 6.245 0.647 1.00 0.00 C ATOM 430 CD1 ILE A 34 -1.417 5.471 -1.529 1.00 0.00 C ATOM 0 H ILE A 34 -5.407 4.382 0.780 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.966 2.832 0.978 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.725 4.611 -0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.107 5.396 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.275 3.821 -0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.363 6.977 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.630 6.244 0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.001 6.506 1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.350 5.464 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.951 4.899 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.780 6.499 -1.527 1.00 0.00 H new ATOM 442 N TYR A 35 -3.504 4.974 3.364 1.00 0.00 N ATOM 443 CA TYR A 35 -2.964 5.409 4.688 1.00 0.00 C ATOM 444 C TYR A 35 -2.675 4.195 5.575 1.00 0.00 C ATOM 445 O TYR A 35 -1.858 4.258 6.475 1.00 0.00 O ATOM 446 CB TYR A 35 -4.045 6.300 5.302 1.00 0.00 C ATOM 447 CG TYR A 35 -3.961 7.674 4.680 1.00 0.00 C ATOM 448 CD1 TYR A 35 -2.996 8.585 5.128 1.00 0.00 C ATOM 449 CD2 TYR A 35 -4.843 8.037 3.654 1.00 0.00 C ATOM 450 CE1 TYR A 35 -2.911 9.858 4.549 1.00 0.00 C ATOM 451 CE2 TYR A 35 -4.758 9.312 3.075 1.00 0.00 C ATOM 452 CZ TYR A 35 -3.792 10.220 3.524 1.00 0.00 C ATOM 453 OH TYR A 35 -3.707 11.475 2.953 1.00 0.00 O ATOM 0 H TYR A 35 -4.432 5.331 3.137 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.021 5.947 4.586 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.031 5.868 5.130 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.910 6.366 6.382 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.317 8.306 5.920 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.588 7.336 3.309 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.166 10.560 4.894 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.437 9.593 2.284 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.390 11.564 2.256 1.00 0.00 H new ATOM 463 N GLN A 36 -3.324 3.088 5.318 1.00 0.00 N ATOM 464 CA GLN A 36 -3.073 1.863 6.134 1.00 0.00 C ATOM 465 C GLN A 36 -1.678 1.307 5.833 1.00 0.00 C ATOM 466 O GLN A 36 -1.041 0.718 6.686 1.00 0.00 O ATOM 467 CB GLN A 36 -4.144 0.859 5.698 1.00 0.00 C ATOM 468 CG GLN A 36 -5.496 1.251 6.298 1.00 0.00 C ATOM 469 CD GLN A 36 -5.700 0.516 7.624 1.00 0.00 C ATOM 470 OE1 GLN A 36 -6.029 1.124 8.625 1.00 0.00 O ATOM 471 NE2 GLN A 36 -5.528 -0.778 7.672 1.00 0.00 N ATOM 0 H GLN A 36 -4.017 2.980 4.578 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.118 2.069 7.203 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.212 0.835 4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.869 -0.144 6.023 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.536 2.328 6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.299 1.002 5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.252 -1.287 6.832 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.670 -1.279 8.549 1.00 0.00 H new ATOM 480 N ILE A 37 -1.212 1.463 4.616 1.00 0.00 N ATOM 481 CA ILE A 37 0.135 0.911 4.255 1.00 0.00 C ATOM 482 C ILE A 37 1.210 2.009 4.121 1.00 0.00 C ATOM 483 O ILE A 37 2.311 1.736 3.677 1.00 0.00 O ATOM 484 CB ILE A 37 -0.066 0.185 2.915 1.00 0.00 C ATOM 485 CG1 ILE A 37 -0.540 1.173 1.843 1.00 0.00 C ATOM 486 CG2 ILE A 37 -1.112 -0.924 3.077 1.00 0.00 C ATOM 487 CD1 ILE A 37 -0.495 0.494 0.471 1.00 0.00 C ATOM 0 H ILE A 37 -1.701 1.945 3.862 1.00 0.00 H new ATOM 0 HA ILE A 37 0.498 0.247 5.040 1.00 0.00 H new ATOM 0 HB ILE A 37 0.885 -0.250 2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.554 1.507 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.094 2.059 1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.251 -1.435 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.772 -1.639 3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.059 -0.488 3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.832 1.195 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.526 0.182 0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.148 -0.379 0.476 1.00 0.00 H new ATOM 499 N GLU A 38 0.922 3.237 4.497 1.00 0.00 N ATOM 500 CA GLU A 38 1.961 4.320 4.383 1.00 0.00 C ATOM 501 C GLU A 38 3.202 4.010 5.230 1.00 0.00 C ATOM 502 O GLU A 38 4.319 4.253 4.810 1.00 0.00 O ATOM 503 CB GLU A 38 1.299 5.606 4.878 1.00 0.00 C ATOM 504 CG GLU A 38 0.423 6.196 3.767 1.00 0.00 C ATOM 505 CD GLU A 38 -0.198 7.523 4.231 1.00 0.00 C ATOM 506 OE1 GLU A 38 -0.154 7.804 5.419 1.00 0.00 O ATOM 507 OE2 GLU A 38 -0.721 8.230 3.385 1.00 0.00 O ATOM 0 H GLU A 38 0.022 3.535 4.874 1.00 0.00 H new ATOM 0 HA GLU A 38 2.302 4.407 3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.694 5.399 5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.060 6.327 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.021 6.359 2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.364 5.491 3.501 1.00 0.00 H new ATOM 514 N HIS A 39 3.022 3.482 6.416 1.00 0.00 N ATOM 515 CA HIS A 39 4.200 3.165 7.285 1.00 0.00 C ATOM 516 C HIS A 39 4.612 1.699 7.116 1.00 0.00 C ATOM 517 O HIS A 39 5.727 1.324 7.428 1.00 0.00 O ATOM 518 CB HIS A 39 3.728 3.429 8.717 1.00 0.00 C ATOM 519 CG HIS A 39 3.609 4.911 8.945 1.00 0.00 C ATOM 520 ND1 HIS A 39 4.722 5.730 9.071 1.00 0.00 N ATOM 521 CD2 HIS A 39 2.520 5.737 9.079 1.00 0.00 C ATOM 522 CE1 HIS A 39 4.281 6.985 9.271 1.00 0.00 C ATOM 523 NE2 HIS A 39 2.946 7.045 9.284 1.00 0.00 N ATOM 0 H HIS A 39 2.113 3.257 6.820 1.00 0.00 H new ATOM 0 HA HIS A 39 5.070 3.768 7.027 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.766 2.946 8.888 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.432 2.997 9.428 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.489 5.419 9.032 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.927 7.840 9.405 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.364 7.872 9.416 1.00 0.00 H new ATOM 531 N TYR A 40 3.723 0.872 6.627 1.00 0.00 N ATOM 532 CA TYR A 40 4.059 -0.572 6.436 1.00 0.00 C ATOM 533 C TYR A 40 5.243 -0.717 5.476 1.00 0.00 C ATOM 534 O TYR A 40 5.340 -0.016 4.486 1.00 0.00 O ATOM 535 CB TYR A 40 2.801 -1.203 5.837 1.00 0.00 C ATOM 536 CG TYR A 40 1.866 -1.617 6.947 1.00 0.00 C ATOM 537 CD1 TYR A 40 1.265 -0.648 7.760 1.00 0.00 C ATOM 538 CD2 TYR A 40 1.605 -2.973 7.167 1.00 0.00 C ATOM 539 CE1 TYR A 40 0.402 -1.036 8.791 1.00 0.00 C ATOM 540 CE2 TYR A 40 0.742 -3.363 8.198 1.00 0.00 C ATOM 541 CZ TYR A 40 0.140 -2.394 9.011 1.00 0.00 C ATOM 542 OH TYR A 40 -0.709 -2.778 10.028 1.00 0.00 O ATOM 0 H TYR A 40 2.777 1.135 6.351 1.00 0.00 H new ATOM 0 HA TYR A 40 4.346 -1.053 7.371 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.305 -0.493 5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.069 -2.069 5.231 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.468 0.399 7.591 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.070 -3.720 6.541 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.062 -0.288 9.417 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.540 -4.411 8.367 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.782 -3.755 10.042 1.00 0.00 H new ATOM 552 N SER A 41 6.139 -1.625 5.763 1.00 0.00 N ATOM 553 CA SER A 41 7.321 -1.833 4.878 1.00 0.00 C ATOM 554 C SER A 41 7.111 -3.078 4.015 1.00 0.00 C ATOM 555 O SER A 41 6.040 -3.649 3.995 1.00 0.00 O ATOM 556 CB SER A 41 8.502 -2.031 5.825 1.00 0.00 C ATOM 557 OG SER A 41 8.485 -1.010 6.814 1.00 0.00 O ATOM 0 H SER A 41 6.101 -2.236 6.579 1.00 0.00 H new ATOM 0 HA SER A 41 7.484 -0.995 4.201 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.445 -3.012 6.297 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.439 -1.999 5.269 1.00 0.00 H new ATOM 0 HG SER A 41 9.241 -1.134 7.425 1.00 0.00 H new ATOM 563 N MET A 42 8.121 -3.492 3.293 1.00 0.00 N ATOM 564 CA MET A 42 7.978 -4.698 2.418 1.00 0.00 C ATOM 565 C MET A 42 7.685 -5.954 3.253 1.00 0.00 C ATOM 566 O MET A 42 6.870 -6.773 2.883 1.00 0.00 O ATOM 567 CB MET A 42 9.324 -4.835 1.704 1.00 0.00 C ATOM 568 CG MET A 42 9.499 -3.670 0.726 1.00 0.00 C ATOM 569 SD MET A 42 11.058 -3.861 -0.170 1.00 0.00 S ATOM 570 CE MET A 42 10.566 -5.288 -1.167 1.00 0.00 C ATOM 0 H MET A 42 9.039 -3.048 3.271 1.00 0.00 H new ATOM 0 HA MET A 42 7.149 -4.591 1.719 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.136 -4.839 2.431 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.370 -5.784 1.169 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.665 -3.642 0.024 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.492 -2.724 1.267 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.162 -5.317 -2.079 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.729 -6.203 -0.598 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.510 -5.205 -1.425 1.00 0.00 H new ATOM 580 N ASP A 43 8.341 -6.107 4.378 1.00 0.00 N ATOM 581 CA ASP A 43 8.097 -7.314 5.237 1.00 0.00 C ATOM 582 C ASP A 43 6.686 -7.271 5.830 1.00 0.00 C ATOM 583 O ASP A 43 6.005 -8.275 5.919 1.00 0.00 O ATOM 584 CB ASP A 43 9.147 -7.243 6.350 1.00 0.00 C ATOM 585 CG ASP A 43 10.542 -7.518 5.776 1.00 0.00 C ATOM 586 OD1 ASP A 43 10.626 -8.155 4.738 1.00 0.00 O ATOM 587 OD2 ASP A 43 11.506 -7.089 6.390 1.00 0.00 O ATOM 0 H ASP A 43 9.034 -5.451 4.740 1.00 0.00 H new ATOM 0 HA ASP A 43 8.174 -8.239 4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.126 -6.259 6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.915 -7.971 7.127 1.00 0.00 H new ATOM 592 N ASP A 44 6.255 -6.110 6.237 1.00 0.00 N ATOM 593 CA ASP A 44 4.892 -5.969 6.835 1.00 0.00 C ATOM 594 C ASP A 44 3.817 -6.334 5.805 1.00 0.00 C ATOM 595 O ASP A 44 2.796 -6.907 6.140 1.00 0.00 O ATOM 596 CB ASP A 44 4.774 -4.495 7.229 1.00 0.00 C ATOM 597 CG ASP A 44 5.695 -4.192 8.419 1.00 0.00 C ATOM 598 OD1 ASP A 44 6.054 -5.121 9.127 1.00 0.00 O ATOM 599 OD2 ASP A 44 6.023 -3.032 8.604 1.00 0.00 O ATOM 0 H ASP A 44 6.791 -5.244 6.182 1.00 0.00 H new ATOM 0 HA ASP A 44 4.752 -6.631 7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.040 -3.862 6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.742 -4.262 7.489 1.00 0.00 H new ATOM 604 N LEU A 45 4.035 -5.995 4.560 1.00 0.00 N ATOM 605 CA LEU A 45 3.025 -6.303 3.502 1.00 0.00 C ATOM 606 C LEU A 45 2.939 -7.812 3.246 1.00 0.00 C ATOM 607 O LEU A 45 1.911 -8.310 2.826 1.00 0.00 O ATOM 608 CB LEU A 45 3.502 -5.569 2.244 1.00 0.00 C ATOM 609 CG LEU A 45 2.485 -5.772 1.112 1.00 0.00 C ATOM 610 CD1 LEU A 45 1.128 -5.164 1.509 1.00 0.00 C ATOM 611 CD2 LEU A 45 2.997 -5.100 -0.172 1.00 0.00 C ATOM 0 H LEU A 45 4.873 -5.516 4.229 1.00 0.00 H new ATOM 0 HA LEU A 45 2.027 -5.982 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.620 -4.506 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.479 -5.944 1.940 1.00 0.00 H new ATOM 0 HG LEU A 45 2.359 -6.840 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.412 -5.312 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.761 -5.651 2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.248 -4.097 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.272 -5.246 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.132 -4.033 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.950 -5.544 -0.460 1.00 0.00 H new ATOM 623 N ALA A 46 4.002 -8.548 3.484 1.00 0.00 N ATOM 624 CA ALA A 46 3.961 -10.029 3.239 1.00 0.00 C ATOM 625 C ALA A 46 2.829 -10.664 4.050 1.00 0.00 C ATOM 626 O ALA A 46 2.042 -11.432 3.532 1.00 0.00 O ATOM 627 CB ALA A 46 5.319 -10.556 3.712 1.00 0.00 C ATOM 0 H ALA A 46 4.891 -8.191 3.835 1.00 0.00 H new ATOM 0 HA ALA A 46 3.779 -10.267 2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.362 -11.635 3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.114 -10.079 3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.448 -10.330 4.770 1.00 0.00 H new ATOM 633 N SER A 47 2.735 -10.343 5.320 1.00 0.00 N ATOM 634 CA SER A 47 1.642 -10.924 6.172 1.00 0.00 C ATOM 635 C SER A 47 0.272 -10.704 5.508 1.00 0.00 C ATOM 636 O SER A 47 -0.681 -11.404 5.785 1.00 0.00 O ATOM 637 CB SER A 47 1.722 -10.164 7.497 1.00 0.00 C ATOM 638 OG SER A 47 0.797 -10.730 8.418 1.00 0.00 O ATOM 0 H SER A 47 3.366 -9.705 5.804 1.00 0.00 H new ATOM 0 HA SER A 47 1.758 -11.999 6.311 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.733 -10.217 7.900 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.497 -9.109 7.339 1.00 0.00 H new ATOM 0 HG SER A 47 0.846 -10.247 9.269 1.00 0.00 H new ATOM 644 N LEU A 48 0.170 -9.717 4.648 1.00 0.00 N ATOM 645 CA LEU A 48 -1.132 -9.414 3.969 1.00 0.00 C ATOM 646 C LEU A 48 -1.537 -10.484 2.937 1.00 0.00 C ATOM 647 O LEU A 48 -2.542 -10.324 2.273 1.00 0.00 O ATOM 648 CB LEU A 48 -0.903 -8.080 3.264 1.00 0.00 C ATOM 649 CG LEU A 48 -2.160 -7.220 3.380 1.00 0.00 C ATOM 650 CD1 LEU A 48 -2.049 -6.330 4.618 1.00 0.00 C ATOM 651 CD2 LEU A 48 -2.298 -6.349 2.131 1.00 0.00 C ATOM 0 H LEU A 48 0.941 -9.103 4.385 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.943 -9.390 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.053 -7.563 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.660 -8.248 2.215 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.037 -7.861 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.944 -5.714 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.950 -6.953 5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.174 -5.687 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.195 -5.735 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.424 -5.704 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.374 -6.986 1.250 1.00 0.00 H new ATOM 663 N LYS A 49 -0.771 -11.565 2.799 1.00 0.00 N ATOM 664 CA LYS A 49 -1.086 -12.693 1.825 1.00 0.00 C ATOM 665 C LYS A 49 -0.553 -12.402 0.413 1.00 0.00 C ATOM 666 O LYS A 49 -0.623 -13.253 -0.454 1.00 0.00 O ATOM 667 CB LYS A 49 -2.620 -12.867 1.786 1.00 0.00 C ATOM 668 CG LYS A 49 -2.993 -14.344 1.682 1.00 0.00 C ATOM 669 CD LYS A 49 -4.517 -14.466 1.603 1.00 0.00 C ATOM 670 CE LYS A 49 -4.923 -15.941 1.641 1.00 0.00 C ATOM 671 NZ LYS A 49 -6.388 -15.948 1.359 1.00 0.00 N ATOM 0 H LYS A 49 0.083 -11.715 3.336 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.595 -13.605 2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.063 -12.437 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.031 -12.322 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.533 -14.788 0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.615 -14.890 2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.977 -13.931 2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.881 -14.003 0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.376 -16.520 0.897 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.706 -16.385 2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.739 -16.927 1.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.884 -15.395 2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.564 -15.526 0.425 1.00 0.00 H new ATOM 685 N ILE A 50 -0.001 -11.236 0.171 1.00 0.00 N ATOM 686 CA ILE A 50 0.552 -10.940 -1.191 1.00 0.00 C ATOM 687 C ILE A 50 1.913 -11.637 -1.367 1.00 0.00 C ATOM 688 O ILE A 50 2.686 -11.705 -0.431 1.00 0.00 O ATOM 689 CB ILE A 50 0.700 -9.413 -1.241 1.00 0.00 C ATOM 690 CG1 ILE A 50 -0.686 -8.771 -1.134 1.00 0.00 C ATOM 691 CG2 ILE A 50 1.348 -8.988 -2.564 1.00 0.00 C ATOM 692 CD1 ILE A 50 -0.539 -7.254 -0.991 1.00 0.00 C ATOM 0 H ILE A 50 0.090 -10.482 0.851 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.092 -11.303 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 50 1.330 -9.088 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.277 -9.008 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.221 -9.177 -0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.448 -7.903 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.334 -9.445 -2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.724 -9.313 -3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.526 -6.798 -0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.035 -7.027 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.021 -6.855 -1.863 1.00 0.00 H new ATOM 704 N PRO A 51 2.173 -12.109 -2.567 1.00 0.00 N ATOM 705 CA PRO A 51 3.495 -12.767 -2.799 1.00 0.00 C ATOM 706 C PRO A 51 4.604 -11.722 -2.650 1.00 0.00 C ATOM 707 O PRO A 51 4.326 -10.540 -2.576 1.00 0.00 O ATOM 708 CB PRO A 51 3.413 -13.283 -4.232 1.00 0.00 C ATOM 709 CG PRO A 51 2.403 -12.408 -4.888 1.00 0.00 C ATOM 710 CD PRO A 51 1.410 -12.023 -3.825 1.00 0.00 C ATOM 0 HA PRO A 51 3.714 -13.570 -2.096 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.379 -13.218 -4.733 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.109 -14.329 -4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.876 -11.523 -5.315 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.910 -12.932 -5.707 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.023 -11.017 -3.988 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.553 -12.697 -3.818 1.00 0.00 H new ATOM 718 N GLU A 52 5.849 -12.127 -2.606 1.00 0.00 N ATOM 719 CA GLU A 52 6.965 -11.135 -2.458 1.00 0.00 C ATOM 720 C GLU A 52 7.147 -10.307 -3.738 1.00 0.00 C ATOM 721 O GLU A 52 7.678 -9.213 -3.710 1.00 0.00 O ATOM 722 CB GLU A 52 8.213 -11.980 -2.188 1.00 0.00 C ATOM 723 CG GLU A 52 8.082 -12.657 -0.819 1.00 0.00 C ATOM 724 CD GLU A 52 9.319 -13.521 -0.529 1.00 0.00 C ATOM 725 OE1 GLU A 52 10.281 -13.436 -1.277 1.00 0.00 O ATOM 726 OE2 GLU A 52 9.278 -14.260 0.442 1.00 0.00 O ATOM 0 H GLU A 52 6.143 -13.102 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 52 6.764 -10.422 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.332 -12.732 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.103 -11.352 -2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.968 -11.901 -0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.185 -13.276 -0.796 1.00 0.00 H new ATOM 733 N GLN A 53 6.742 -10.840 -4.858 1.00 0.00 N ATOM 734 CA GLN A 53 6.916 -10.118 -6.160 1.00 0.00 C ATOM 735 C GLN A 53 6.122 -8.803 -6.196 1.00 0.00 C ATOM 736 O GLN A 53 6.488 -7.870 -6.894 1.00 0.00 O ATOM 737 CB GLN A 53 6.397 -11.098 -7.224 1.00 0.00 C ATOM 738 CG GLN A 53 6.361 -10.413 -8.597 1.00 0.00 C ATOM 739 CD GLN A 53 6.979 -11.328 -9.658 1.00 0.00 C ATOM 740 OE1 GLN A 53 6.319 -11.716 -10.602 1.00 0.00 O ATOM 741 NE2 GLN A 53 8.228 -11.692 -9.541 1.00 0.00 N ATOM 0 H GLN A 53 6.293 -11.753 -4.932 1.00 0.00 H new ATOM 0 HA GLN A 53 7.956 -9.836 -6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.040 -11.978 -7.264 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.399 -11.444 -6.955 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.332 -10.174 -8.866 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.907 -9.470 -8.556 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.782 -11.366 -8.749 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.649 -12.302 -10.242 1.00 0.00 H new ATOM 750 N PHE A 54 5.059 -8.708 -5.449 1.00 0.00 N ATOM 751 CA PHE A 54 4.260 -7.447 -5.449 1.00 0.00 C ATOM 752 C PHE A 54 4.585 -6.579 -4.226 1.00 0.00 C ATOM 753 O PHE A 54 4.117 -5.462 -4.127 1.00 0.00 O ATOM 754 CB PHE A 54 2.801 -7.901 -5.420 1.00 0.00 C ATOM 755 CG PHE A 54 2.345 -8.216 -6.826 1.00 0.00 C ATOM 756 CD1 PHE A 54 2.555 -9.492 -7.362 1.00 0.00 C ATOM 757 CD2 PHE A 54 1.716 -7.230 -7.595 1.00 0.00 C ATOM 758 CE1 PHE A 54 2.133 -9.782 -8.665 1.00 0.00 C ATOM 759 CE2 PHE A 54 1.294 -7.521 -8.898 1.00 0.00 C ATOM 760 CZ PHE A 54 1.503 -8.797 -9.434 1.00 0.00 C ATOM 0 H PHE A 54 4.707 -9.446 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 54 4.482 -6.831 -6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.695 -8.781 -4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.174 -7.120 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.043 -10.253 -6.770 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.556 -6.244 -7.183 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.294 -10.767 -9.077 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.807 -6.760 -9.490 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.179 -9.021 -10.439 1.00 0.00 H new ATOM 770 N ARG A 55 5.382 -7.063 -3.296 1.00 0.00 N ATOM 771 CA ARG A 55 5.724 -6.220 -2.108 1.00 0.00 C ATOM 772 C ARG A 55 6.647 -5.076 -2.530 1.00 0.00 C ATOM 773 O ARG A 55 6.523 -3.960 -2.065 1.00 0.00 O ATOM 774 CB ARG A 55 6.448 -7.138 -1.122 1.00 0.00 C ATOM 775 CG ARG A 55 5.510 -8.258 -0.661 1.00 0.00 C ATOM 776 CD ARG A 55 6.045 -8.902 0.629 1.00 0.00 C ATOM 777 NE ARG A 55 7.463 -9.275 0.346 1.00 0.00 N ATOM 778 CZ ARG A 55 8.237 -9.684 1.316 1.00 0.00 C ATOM 779 NH1 ARG A 55 7.926 -10.754 1.993 1.00 0.00 N ATOM 780 NH2 ARG A 55 9.321 -9.019 1.607 1.00 0.00 N ATOM 0 H ARG A 55 5.803 -7.992 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 55 4.831 -5.783 -1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.333 -7.565 -1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.791 -6.563 -0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.511 -7.858 -0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.421 -9.012 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.984 -8.207 1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.457 -9.779 0.900 1.00 0.00 H new ATOM 0 HE ARG A 55 7.827 -9.210 -0.605 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.078 -11.273 1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.531 -11.072 2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.563 -8.181 1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.926 -9.337 2.364 1.00 0.00 H new ATOM 794 N HIS A 56 7.578 -5.360 -3.403 1.00 0.00 N ATOM 795 CA HIS A 56 8.533 -4.309 -3.866 1.00 0.00 C ATOM 796 C HIS A 56 7.884 -3.406 -4.919 1.00 0.00 C ATOM 797 O HIS A 56 8.133 -2.215 -4.955 1.00 0.00 O ATOM 798 CB HIS A 56 9.714 -5.080 -4.464 1.00 0.00 C ATOM 799 CG HIS A 56 10.834 -4.130 -4.809 1.00 0.00 C ATOM 800 ND1 HIS A 56 10.862 -2.814 -4.370 1.00 0.00 N ATOM 801 CD2 HIS A 56 11.979 -4.300 -5.549 1.00 0.00 C ATOM 802 CE1 HIS A 56 11.987 -2.251 -4.846 1.00 0.00 C ATOM 803 NE2 HIS A 56 12.704 -3.113 -5.572 1.00 0.00 N ATOM 0 H HIS A 56 7.719 -6.281 -3.818 1.00 0.00 H new ATOM 0 HA HIS A 56 8.843 -3.654 -3.052 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.067 -5.828 -3.754 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.393 -5.616 -5.357 1.00 0.00 H new ATOM 0 HD2 HIS A 56 12.272 -5.217 -6.039 1.00 0.00 H new ATOM 0 HE1 HIS A 56 12.276 -1.226 -4.663 1.00 0.00 H new ATOM 0 HE2 HIS A 56 13.592 -2.938 -6.042 1.00 0.00 H new ATOM 811 N ALA A 57 7.070 -3.961 -5.785 1.00 0.00 N ATOM 812 CA ALA A 57 6.423 -3.122 -6.845 1.00 0.00 C ATOM 813 C ALA A 57 5.404 -2.146 -6.234 1.00 0.00 C ATOM 814 O ALA A 57 5.335 -0.994 -6.615 1.00 0.00 O ATOM 815 CB ALA A 57 5.719 -4.118 -7.767 1.00 0.00 C ATOM 0 H ALA A 57 6.826 -4.951 -5.805 1.00 0.00 H new ATOM 0 HA ALA A 57 7.154 -2.512 -7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.220 -3.579 -8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.453 -4.803 -8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.982 -4.683 -7.197 1.00 0.00 H new ATOM 821 N ILE A 58 4.617 -2.604 -5.295 1.00 0.00 N ATOM 822 CA ILE A 58 3.597 -1.712 -4.655 1.00 0.00 C ATOM 823 C ILE A 58 4.266 -0.744 -3.669 1.00 0.00 C ATOM 824 O ILE A 58 3.941 0.427 -3.623 1.00 0.00 O ATOM 825 CB ILE A 58 2.634 -2.662 -3.927 1.00 0.00 C ATOM 826 CG1 ILE A 58 1.974 -3.591 -4.950 1.00 0.00 C ATOM 827 CG2 ILE A 58 1.545 -1.863 -3.198 1.00 0.00 C ATOM 828 CD1 ILE A 58 1.211 -4.697 -4.220 1.00 0.00 C ATOM 0 H ILE A 58 4.635 -3.560 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 58 3.077 -1.093 -5.386 1.00 0.00 H new ATOM 0 HB ILE A 58 3.196 -3.245 -3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.294 -3.024 -5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.731 -4.027 -5.602 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.870 -2.550 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.008 -1.199 -2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.982 -1.272 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.742 -5.358 -4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.903 -5.271 -3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.444 -4.252 -3.586 1.00 0.00 H new ATOM 840 N TRP A 59 5.184 -1.231 -2.877 1.00 0.00 N ATOM 841 CA TRP A 59 5.869 -0.350 -1.879 1.00 0.00 C ATOM 842 C TRP A 59 6.593 0.796 -2.589 1.00 0.00 C ATOM 843 O TRP A 59 6.653 1.906 -2.095 1.00 0.00 O ATOM 844 CB TRP A 59 6.871 -1.248 -1.150 1.00 0.00 C ATOM 845 CG TRP A 59 7.505 -0.470 -0.041 1.00 0.00 C ATOM 846 CD1 TRP A 59 6.827 0.172 0.937 1.00 0.00 C ATOM 847 CD2 TRP A 59 8.919 -0.233 0.216 1.00 0.00 C ATOM 848 NE1 TRP A 59 7.734 0.787 1.781 1.00 0.00 N ATOM 849 CE2 TRP A 59 9.036 0.567 1.379 1.00 0.00 C ATOM 850 CE3 TRP A 59 10.099 -0.631 -0.436 1.00 0.00 C ATOM 851 CZ2 TRP A 59 10.280 0.958 1.874 1.00 0.00 C ATOM 852 CZ3 TRP A 59 11.353 -0.238 0.060 1.00 0.00 C ATOM 853 CH2 TRP A 59 11.443 0.554 1.213 1.00 0.00 C ATOM 0 H TRP A 59 5.492 -2.204 -2.876 1.00 0.00 H new ATOM 0 HA TRP A 59 5.159 0.102 -1.186 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.367 -2.129 -0.752 1.00 0.00 H new ATOM 0 HB3 TRP A 59 7.633 -1.603 -1.844 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.752 0.200 1.042 1.00 0.00 H new ATOM 0 HE1 TRP A 59 7.473 1.336 2.600 1.00 0.00 H new ATOM 0 HE3 TRP A 59 10.041 -1.243 -1.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 10.344 1.569 2.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 12.253 -0.548 -0.450 1.00 0.00 H new ATOM 0 HH2 TRP A 59 12.410 0.852 1.590 1.00 0.00 H new ATOM 864 N LYS A 60 7.153 0.525 -3.737 1.00 0.00 N ATOM 865 CA LYS A 60 7.893 1.587 -4.487 1.00 0.00 C ATOM 866 C LYS A 60 6.962 2.758 -4.825 1.00 0.00 C ATOM 867 O LYS A 60 7.349 3.908 -4.740 1.00 0.00 O ATOM 868 CB LYS A 60 8.382 0.902 -5.767 1.00 0.00 C ATOM 869 CG LYS A 60 9.323 1.839 -6.525 1.00 0.00 C ATOM 870 CD LYS A 60 9.807 1.151 -7.803 1.00 0.00 C ATOM 871 CE LYS A 60 10.777 2.073 -8.544 1.00 0.00 C ATOM 872 NZ LYS A 60 11.480 1.189 -9.516 1.00 0.00 N ATOM 0 H LYS A 60 7.131 -0.388 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 60 8.716 2.001 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.898 -0.026 -5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.533 0.637 -6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.808 2.767 -6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.174 2.104 -5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.299 0.210 -7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.958 0.910 -8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.246 2.877 -9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.480 2.541 -7.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.164 1.750 -10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.982 0.437 -9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.786 0.762 -10.162 1.00 0.00 H new ATOM 886 N GLY A 61 5.738 2.476 -5.200 1.00 0.00 N ATOM 887 CA GLY A 61 4.778 3.573 -5.538 1.00 0.00 C ATOM 888 C GLY A 61 4.422 4.361 -4.275 1.00 0.00 C ATOM 889 O GLY A 61 4.141 5.544 -4.333 1.00 0.00 O ATOM 0 H GLY A 61 5.362 1.532 -5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.219 4.238 -6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.875 3.154 -5.982 1.00 0.00 H new ATOM 893 N ILE A 62 4.422 3.712 -3.139 1.00 0.00 N ATOM 894 CA ILE A 62 4.072 4.418 -1.865 1.00 0.00 C ATOM 895 C ILE A 62 5.133 5.476 -1.531 1.00 0.00 C ATOM 896 O ILE A 62 4.812 6.579 -1.130 1.00 0.00 O ATOM 897 CB ILE A 62 4.043 3.312 -0.800 1.00 0.00 C ATOM 898 CG1 ILE A 62 2.951 2.297 -1.156 1.00 0.00 C ATOM 899 CG2 ILE A 62 3.741 3.913 0.577 1.00 0.00 C ATOM 900 CD1 ILE A 62 3.071 1.064 -0.254 1.00 0.00 C ATOM 0 H ILE A 62 4.649 2.723 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 62 3.120 4.946 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 62 5.015 2.820 -0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.967 2.751 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.042 2.004 -2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.723 3.120 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.514 4.637 0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.771 4.410 0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.292 0.347 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.049 0.604 -0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.958 1.363 0.788 1.00 0.00 H new ATOM 912 N LEU A 63 6.390 5.146 -1.687 1.00 0.00 N ATOM 913 CA LEU A 63 7.474 6.131 -1.374 1.00 0.00 C ATOM 914 C LEU A 63 7.335 7.386 -2.247 1.00 0.00 C ATOM 915 O LEU A 63 7.388 8.500 -1.761 1.00 0.00 O ATOM 916 CB LEU A 63 8.784 5.404 -1.694 1.00 0.00 C ATOM 917 CG LEU A 63 8.982 4.243 -0.718 1.00 0.00 C ATOM 918 CD1 LEU A 63 10.234 3.457 -1.110 1.00 0.00 C ATOM 919 CD2 LEU A 63 9.149 4.785 0.705 1.00 0.00 C ATOM 0 H LEU A 63 6.714 4.237 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 63 7.431 6.462 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.763 5.031 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.622 6.097 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 63 8.111 3.589 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.376 2.629 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.117 3.066 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.103 4.115 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.290 3.954 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.018 5.441 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.258 5.346 0.988 1.00 0.00 H new ATOM 931 N ASP A 64 7.185 7.208 -3.535 1.00 0.00 N ATOM 932 CA ASP A 64 7.072 8.381 -4.461 1.00 0.00 C ATOM 933 C ASP A 64 5.867 9.255 -4.106 1.00 0.00 C ATOM 934 O ASP A 64 5.939 10.465 -4.171 1.00 0.00 O ATOM 935 CB ASP A 64 6.900 7.784 -5.862 1.00 0.00 C ATOM 936 CG ASP A 64 8.207 7.124 -6.320 1.00 0.00 C ATOM 937 OD1 ASP A 64 9.246 7.438 -5.756 1.00 0.00 O ATOM 938 OD2 ASP A 64 8.148 6.315 -7.232 1.00 0.00 O ATOM 0 H ASP A 64 7.135 6.296 -3.990 1.00 0.00 H new ATOM 0 HA ASP A 64 7.951 9.022 -4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.095 7.049 -5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.612 8.565 -6.566 1.00 0.00 H new ATOM 943 N HIS A 65 4.760 8.656 -3.753 1.00 0.00 N ATOM 944 CA HIS A 65 3.545 9.463 -3.412 1.00 0.00 C ATOM 945 C HIS A 65 3.833 10.399 -2.229 1.00 0.00 C ATOM 946 O HIS A 65 3.508 11.570 -2.267 1.00 0.00 O ATOM 947 CB HIS A 65 2.480 8.426 -3.035 1.00 0.00 C ATOM 948 CG HIS A 65 1.193 9.116 -2.668 1.00 0.00 C ATOM 949 ND1 HIS A 65 0.411 9.778 -3.600 1.00 0.00 N ATOM 950 CD2 HIS A 65 0.540 9.252 -1.467 1.00 0.00 C ATOM 951 CE1 HIS A 65 -0.657 10.278 -2.953 1.00 0.00 C ATOM 952 NE2 HIS A 65 -0.628 9.986 -1.650 1.00 0.00 N ATOM 0 H HIS A 65 4.642 7.645 -3.685 1.00 0.00 H new ATOM 0 HA HIS A 65 3.226 10.098 -4.239 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.312 7.746 -3.870 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.830 7.822 -2.198 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.881 8.850 -0.524 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.442 10.846 -3.429 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.314 10.245 -0.941 1.00 0.00 H new ATOM 960 N ARG A 66 4.429 9.891 -1.183 1.00 0.00 N ATOM 961 CA ARG A 66 4.728 10.745 0.005 1.00 0.00 C ATOM 962 C ARG A 66 5.649 11.916 -0.378 1.00 0.00 C ATOM 963 O ARG A 66 5.428 13.044 0.020 1.00 0.00 O ATOM 964 CB ARG A 66 5.427 9.809 1.002 1.00 0.00 C ATOM 965 CG ARG A 66 5.785 10.583 2.272 1.00 0.00 C ATOM 966 CD ARG A 66 4.496 11.023 2.967 1.00 0.00 C ATOM 967 NE ARG A 66 4.944 11.773 4.173 1.00 0.00 N ATOM 968 CZ ARG A 66 4.862 13.074 4.196 1.00 0.00 C ATOM 969 NH1 ARG A 66 3.726 13.662 3.940 1.00 0.00 N ATOM 970 NH2 ARG A 66 5.919 13.790 4.473 1.00 0.00 N ATOM 0 H ARG A 66 4.723 8.918 -1.100 1.00 0.00 H new ATOM 0 HA ARG A 66 3.825 11.189 0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.775 8.971 1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.328 9.391 0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.378 9.958 2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.395 11.452 2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.890 11.651 2.314 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.883 10.165 3.241 1.00 0.00 H new ATOM 0 HE ARG A 66 5.314 11.270 4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.901 13.104 3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.663 14.680 3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.808 13.331 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.855 14.808 4.491 1.00 0.00 H new ATOM 984 N GLN A 67 6.688 11.648 -1.129 1.00 0.00 N ATOM 985 CA GLN A 67 7.647 12.733 -1.524 1.00 0.00 C ATOM 986 C GLN A 67 6.953 13.836 -2.326 1.00 0.00 C ATOM 987 O GLN A 67 7.255 15.004 -2.172 1.00 0.00 O ATOM 988 CB GLN A 67 8.711 12.041 -2.381 1.00 0.00 C ATOM 989 CG GLN A 67 9.572 11.131 -1.498 1.00 0.00 C ATOM 990 CD GLN A 67 10.328 11.971 -0.462 1.00 0.00 C ATOM 991 OE1 GLN A 67 10.186 11.760 0.726 1.00 0.00 O ATOM 992 NE2 GLN A 67 11.133 12.916 -0.865 1.00 0.00 N ATOM 0 H GLN A 67 6.917 10.721 -1.488 1.00 0.00 H new ATOM 0 HA GLN A 67 8.073 13.219 -0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.235 11.456 -3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.337 12.786 -2.872 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.943 10.397 -0.994 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.279 10.575 -2.114 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.252 13.093 -1.862 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.643 13.477 -0.183 1.00 0.00 H new ATOM 1001 N LEU A 68 6.044 13.475 -3.189 1.00 0.00 N ATOM 1002 CA LEU A 68 5.347 14.494 -4.017 1.00 0.00 C ATOM 1003 C LEU A 68 4.409 15.337 -3.158 1.00 0.00 C ATOM 1004 O LEU A 68 4.236 16.518 -3.398 1.00 0.00 O ATOM 1005 CB LEU A 68 4.565 13.687 -5.061 1.00 0.00 C ATOM 1006 CG LEU A 68 5.069 14.051 -6.452 1.00 0.00 C ATOM 1007 CD1 LEU A 68 4.916 12.849 -7.388 1.00 0.00 C ATOM 1008 CD2 LEU A 68 4.264 15.231 -6.998 1.00 0.00 C ATOM 0 H LEU A 68 5.754 12.512 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 68 6.042 15.193 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.691 12.619 -4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.499 13.900 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 68 6.121 14.328 -6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.277 13.113 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.496 12.011 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.865 12.566 -7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.626 15.489 -7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.210 14.957 -7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.380 16.089 -6.335 1.00 0.00 H new ATOM 1020 N HIS A 69 3.804 14.746 -2.163 1.00 0.00 N ATOM 1021 CA HIS A 69 2.881 15.525 -1.292 1.00 0.00 C ATOM 1022 C HIS A 69 3.636 16.060 -0.075 1.00 0.00 C ATOM 1023 O HIS A 69 4.051 15.308 0.788 1.00 0.00 O ATOM 1024 CB HIS A 69 1.795 14.540 -0.864 1.00 0.00 C ATOM 1025 CG HIS A 69 0.691 15.293 -0.175 1.00 0.00 C ATOM 1026 ND1 HIS A 69 0.758 15.642 1.164 1.00 0.00 N ATOM 1027 CD2 HIS A 69 -0.509 15.780 -0.631 1.00 0.00 C ATOM 1028 CE1 HIS A 69 -0.370 16.310 1.466 1.00 0.00 C ATOM 1029 NE2 HIS A 69 -1.178 16.422 0.406 1.00 0.00 N ATOM 0 H HIS A 69 3.909 13.762 -1.917 1.00 0.00 H new ATOM 0 HA HIS A 69 2.457 16.386 -1.809 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.404 14.011 -1.733 1.00 0.00 H new ATOM 0 HB3 HIS A 69 2.212 13.788 -0.194 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.878 15.680 -1.641 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.596 16.707 2.445 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -2.089 16.880 0.367 1.00 0.00 H new ATOM 1037 N GLU A 70 3.820 17.353 -0.005 1.00 0.00 N ATOM 1038 CA GLU A 70 4.551 17.950 1.151 1.00 0.00 C ATOM 1039 C GLU A 70 3.552 18.570 2.136 1.00 0.00 C ATOM 1040 O GLU A 70 2.836 19.496 1.803 1.00 0.00 O ATOM 1041 CB GLU A 70 5.443 19.023 0.523 1.00 0.00 C ATOM 1042 CG GLU A 70 6.310 19.683 1.600 1.00 0.00 C ATOM 1043 CD GLU A 70 7.261 18.652 2.225 1.00 0.00 C ATOM 1044 OE1 GLU A 70 7.373 17.558 1.690 1.00 0.00 O ATOM 1045 OE2 GLU A 70 7.871 18.979 3.230 1.00 0.00 O ATOM 0 H GLU A 70 3.494 18.023 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 70 5.130 17.218 1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.078 18.577 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.828 19.775 0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.885 20.500 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.675 20.117 2.372 1.00 0.00 H new ATOM 1052 N PHE A 71 3.497 18.062 3.341 1.00 0.00 N ATOM 1053 CA PHE A 71 2.542 18.611 4.353 1.00 0.00 C ATOM 1054 C PHE A 71 3.309 19.184 5.549 1.00 0.00 C ATOM 1055 O PHE A 71 4.109 18.509 6.166 1.00 0.00 O ATOM 1056 CB PHE A 71 1.696 17.410 4.783 1.00 0.00 C ATOM 1057 CG PHE A 71 0.580 17.866 5.695 1.00 0.00 C ATOM 1058 CD1 PHE A 71 0.804 17.981 7.072 1.00 0.00 C ATOM 1059 CD2 PHE A 71 -0.682 18.160 5.165 1.00 0.00 C ATOM 1060 CE1 PHE A 71 -0.233 18.393 7.919 1.00 0.00 C ATOM 1061 CE2 PHE A 71 -1.719 18.572 6.011 1.00 0.00 C ATOM 1062 CZ PHE A 71 -1.495 18.688 7.388 1.00 0.00 C ATOM 0 H PHE A 71 4.074 17.288 3.669 1.00 0.00 H new ATOM 0 HA PHE A 71 1.932 19.420 3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.281 16.914 3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.321 16.679 5.296 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.777 17.752 7.482 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.856 18.069 4.103 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.059 18.483 8.981 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.692 18.800 5.601 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.295 19.005 8.041 1.00 0.00 H new TER 1072 PHE A 71