USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 520 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 71 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= -0.362 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.00511 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 28:sc= 0.33 USER MOD Single : A 10 MET CE :methyl -126:sc= 0 (180deg=-0.00343) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 142:sc= 0.938 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 175:sc= -0.232 USER MOD Single : A 24 ASN : amide:sc= -1.78! C(o=-1.8!,f=-2.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 81:sc= 0.398 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.385 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0882 X(o=-0.088,f=-0.5) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.199 K(o=-0.2,f=-4.1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.059 -24.615 4.116 1.00 0.00 N ATOM 2 CA GLY A 1 0.865 -23.308 4.717 1.00 0.00 C ATOM 3 C GLY A 1 -0.562 -23.089 5.180 1.00 0.00 C ATOM 4 O GLY A 1 -1.202 -24.004 5.697 1.00 0.00 O ATOM 0 H1 GLY A 1 1.926 -25.047 4.496 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.244 -25.223 4.336 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.146 -24.513 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.540 -23.198 5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.132 -22.536 3.995 1.00 0.00 H new ATOM 8 N SER A 2 -1.061 -21.870 4.996 1.00 0.00 N ATOM 9 CA SER A 2 -2.419 -21.531 5.404 1.00 0.00 C ATOM 10 C SER A 2 -3.359 -21.519 4.203 1.00 0.00 C ATOM 11 O SER A 2 -3.505 -20.501 3.525 1.00 0.00 O ATOM 12 CB SER A 2 -2.441 -20.168 6.097 1.00 0.00 C ATOM 13 OG SER A 2 -1.824 -20.234 7.371 1.00 0.00 O ATOM 0 H SER A 2 -0.545 -21.102 4.567 1.00 0.00 H new ATOM 0 HA SER A 2 -2.762 -22.292 6.105 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.926 -19.433 5.478 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.471 -19.828 6.205 1.00 0.00 H new ATOM 0 HG SER A 2 -1.849 -19.350 7.793 1.00 0.00 H new ATOM 19 N SER A 3 -3.995 -22.657 3.945 1.00 0.00 N ATOM 20 CA SER A 3 -4.919 -22.780 2.823 1.00 0.00 C ATOM 21 C SER A 3 -5.824 -21.555 2.729 1.00 0.00 C ATOM 22 O SER A 3 -5.806 -20.830 1.735 1.00 0.00 O ATOM 23 CB SER A 3 -5.766 -24.045 2.969 1.00 0.00 C ATOM 24 OG SER A 3 -4.950 -25.202 3.027 1.00 0.00 O ATOM 0 H SER A 3 -3.888 -23.508 4.498 1.00 0.00 H new ATOM 0 HA SER A 3 -4.333 -22.848 1.906 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.372 -23.978 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.455 -24.124 2.128 1.00 0.00 H new ATOM 0 HG SER A 3 -5.516 -25.997 3.122 1.00 0.00 H new ATOM 30 N GLY A 4 -6.617 -21.332 3.772 1.00 0.00 N ATOM 31 CA GLY A 4 -7.520 -20.195 3.789 1.00 0.00 C ATOM 32 C GLY A 4 -6.833 -18.916 4.225 1.00 0.00 C ATOM 33 O GLY A 4 -6.956 -18.500 5.377 1.00 0.00 O ATOM 0 H GLY A 4 -6.651 -21.918 4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.943 -20.056 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.351 -20.405 4.462 1.00 0.00 H new ATOM 37 N SER A 5 -6.107 -18.292 3.304 1.00 0.00 N ATOM 38 CA SER A 5 -5.393 -17.056 3.601 1.00 0.00 C ATOM 39 C SER A 5 -6.067 -15.864 2.927 1.00 0.00 C ATOM 40 O SER A 5 -6.367 -15.899 1.734 1.00 0.00 O ATOM 41 CB SER A 5 -3.937 -17.159 3.143 1.00 0.00 C ATOM 42 OG SER A 5 -3.320 -15.884 3.114 1.00 0.00 O ATOM 0 H SER A 5 -5.997 -18.622 2.345 1.00 0.00 H new ATOM 0 HA SER A 5 -5.416 -16.903 4.680 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.387 -17.817 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.895 -17.609 2.151 1.00 0.00 H new ATOM 0 HG SER A 5 -2.390 -15.977 2.820 1.00 0.00 H new ATOM 48 N SER A 6 -6.302 -14.809 3.702 1.00 0.00 N ATOM 49 CA SER A 6 -6.944 -13.607 3.182 1.00 0.00 C ATOM 50 C SER A 6 -6.205 -12.355 3.643 1.00 0.00 C ATOM 51 O SER A 6 -5.991 -12.150 4.837 1.00 0.00 O ATOM 52 CB SER A 6 -8.404 -13.547 3.634 1.00 0.00 C ATOM 53 OG SER A 6 -8.497 -13.394 5.040 1.00 0.00 O ATOM 0 H SER A 6 -6.058 -14.763 4.691 1.00 0.00 H new ATOM 0 HA SER A 6 -6.910 -13.648 2.093 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.907 -12.715 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.920 -14.457 3.329 1.00 0.00 H new ATOM 0 HG SER A 6 -7.702 -12.927 5.371 1.00 0.00 H new ATOM 59 N GLY A 7 -5.817 -11.518 2.685 1.00 0.00 N ATOM 60 CA GLY A 7 -5.106 -10.296 3.012 1.00 0.00 C ATOM 61 C GLY A 7 -6.041 -9.128 3.255 1.00 0.00 C ATOM 62 O GLY A 7 -7.132 -9.301 3.800 1.00 0.00 O ATOM 0 H GLY A 7 -5.982 -11.665 1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.497 -10.461 3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.423 -10.048 2.199 1.00 0.00 H new ATOM 66 N ARG A 8 -5.614 -7.936 2.853 1.00 0.00 N ATOM 67 CA ARG A 8 -6.421 -6.734 3.033 1.00 0.00 C ATOM 68 C ARG A 8 -6.411 -5.878 1.770 1.00 0.00 C ATOM 69 O ARG A 8 -5.356 -5.430 1.321 1.00 0.00 O ATOM 70 CB ARG A 8 -5.902 -5.919 4.219 1.00 0.00 C ATOM 71 CG ARG A 8 -6.562 -6.277 5.540 1.00 0.00 C ATOM 72 CD ARG A 8 -5.707 -5.853 6.724 1.00 0.00 C ATOM 73 NE ARG A 8 -6.333 -6.190 8.000 1.00 0.00 N ATOM 74 CZ ARG A 8 -7.349 -5.513 8.521 1.00 0.00 C ATOM 75 NH1 ARG A 8 -7.852 -4.467 7.880 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.865 -5.881 9.687 1.00 0.00 N ATOM 0 H ARG A 8 -4.714 -7.776 2.400 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.447 -7.042 3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.826 -6.068 4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.061 -4.860 4.018 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.537 -5.794 5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.735 -7.352 5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.733 -6.337 6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.532 -4.778 6.679 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.970 -6.989 8.519 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.458 -4.180 6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.633 -3.949 8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.481 -6.685 10.184 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.646 -5.360 10.086 1.00 0.00 H new ATOM 90 N ARG A 9 -7.592 -5.656 1.203 1.00 0.00 N ATOM 91 CA ARG A 9 -7.719 -4.856 -0.009 1.00 0.00 C ATOM 92 C ARG A 9 -7.877 -3.377 0.331 1.00 0.00 C ATOM 93 O ARG A 9 -8.964 -2.925 0.689 1.00 0.00 O ATOM 94 CB ARG A 9 -8.914 -5.331 -0.837 1.00 0.00 C ATOM 95 CG ARG A 9 -8.610 -6.537 -1.711 1.00 0.00 C ATOM 96 CD ARG A 9 -9.881 -7.153 -2.273 1.00 0.00 C ATOM 97 NE ARG A 9 -9.596 -8.206 -3.244 1.00 0.00 N ATOM 98 CZ ARG A 9 -9.131 -9.405 -2.912 1.00 0.00 C ATOM 99 NH1 ARG A 9 -8.899 -9.701 -1.640 1.00 0.00 N ATOM 100 NH2 ARG A 9 -8.896 -10.311 -3.853 1.00 0.00 N ATOM 0 H ARG A 9 -8.475 -6.019 1.563 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.808 -4.982 -0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.736 -5.578 -0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.255 -4.512 -1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.956 -6.238 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.070 -7.283 -1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.476 -7.564 -1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.482 -6.376 -2.746 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.763 -8.010 -4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.078 -9.007 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.542 -10.623 -1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.072 -10.087 -4.832 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.539 -11.231 -3.597 1.00 0.00 H new ATOM 114 N MET A 10 -6.785 -2.628 0.216 1.00 0.00 N ATOM 115 CA MET A 10 -6.803 -1.200 0.510 1.00 0.00 C ATOM 116 C MET A 10 -6.951 -0.383 -0.769 1.00 0.00 C ATOM 117 O MET A 10 -6.467 -0.778 -1.830 1.00 0.00 O ATOM 118 CB MET A 10 -5.524 -0.793 1.244 1.00 0.00 C ATOM 119 CG MET A 10 -5.083 -1.794 2.300 1.00 0.00 C ATOM 120 SD MET A 10 -4.000 -1.062 3.542 1.00 0.00 S ATOM 121 CE MET A 10 -5.196 -0.247 4.597 1.00 0.00 C ATOM 0 H MET A 10 -5.877 -2.986 -0.079 1.00 0.00 H new ATOM 0 HA MET A 10 -7.661 -0.997 1.150 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.722 -0.668 0.517 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.679 0.177 1.717 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.963 -2.210 2.791 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.566 -2.623 1.816 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.929 0.804 4.705 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.188 -0.325 4.151 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.200 -0.723 5.577 1.00 0.00 H new ATOM 131 N VAL A 11 -7.624 0.758 -0.663 1.00 0.00 N ATOM 132 CA VAL A 11 -7.836 1.631 -1.811 1.00 0.00 C ATOM 133 C VAL A 11 -7.019 2.913 -1.685 1.00 0.00 C ATOM 134 O VAL A 11 -7.097 3.613 -0.676 1.00 0.00 O ATOM 135 CB VAL A 11 -9.323 1.997 -1.972 1.00 0.00 C ATOM 136 CG1 VAL A 11 -9.821 2.758 -0.753 1.00 0.00 C ATOM 137 CG2 VAL A 11 -9.538 2.807 -3.241 1.00 0.00 C ATOM 0 H VAL A 11 -8.032 1.100 0.207 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.508 1.079 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.899 1.075 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.874 3.008 -0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.704 2.138 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.243 3.674 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.594 3.057 -3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.951 3.724 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.222 2.221 -4.104 1.00 0.00 H new ATOM 147 N ALA A 12 -6.237 3.213 -2.717 1.00 0.00 N ATOM 148 CA ALA A 12 -5.408 4.412 -2.723 1.00 0.00 C ATOM 149 C ALA A 12 -6.264 5.672 -2.658 1.00 0.00 C ATOM 150 O ALA A 12 -7.085 5.924 -3.541 1.00 0.00 O ATOM 151 CB ALA A 12 -4.524 4.436 -3.961 1.00 0.00 C ATOM 0 H ALA A 12 -6.160 2.643 -3.559 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.774 4.389 -1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.910 5.337 -3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.879 3.557 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.149 4.431 -4.854 1.00 0.00 H new ATOM 157 N LEU A 13 -6.069 6.460 -1.606 1.00 0.00 N ATOM 158 CA LEU A 13 -6.825 7.695 -1.425 1.00 0.00 C ATOM 159 C LEU A 13 -6.218 8.830 -2.244 1.00 0.00 C ATOM 160 O LEU A 13 -6.920 9.749 -2.667 1.00 0.00 O ATOM 161 CB LEU A 13 -6.861 8.082 0.054 1.00 0.00 C ATOM 162 CG LEU A 13 -7.495 7.061 1.000 1.00 0.00 C ATOM 163 CD1 LEU A 13 -7.161 7.392 2.446 1.00 0.00 C ATOM 164 CD2 LEU A 13 -9.003 7.010 0.797 1.00 0.00 C ATOM 0 H LEU A 13 -5.394 6.266 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.843 7.523 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.839 8.269 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.404 9.022 0.150 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.084 6.078 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.621 6.654 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.080 7.376 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.543 8.383 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.437 6.278 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.431 7.992 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.222 6.723 -0.231 1.00 0.00 H new ATOM 176 N TYR A 14 -4.910 8.758 -2.466 1.00 0.00 N ATOM 177 CA TYR A 14 -4.209 9.779 -3.235 1.00 0.00 C ATOM 178 C TYR A 14 -2.957 9.204 -3.891 1.00 0.00 C ATOM 179 O TYR A 14 -2.184 8.486 -3.256 1.00 0.00 O ATOM 180 CB TYR A 14 -3.831 10.956 -2.334 1.00 0.00 C ATOM 181 CG TYR A 14 -4.979 11.470 -1.495 1.00 0.00 C ATOM 182 CD1 TYR A 14 -5.262 10.913 -0.254 1.00 0.00 C ATOM 183 CD2 TYR A 14 -5.781 12.512 -1.944 1.00 0.00 C ATOM 184 CE1 TYR A 14 -6.311 11.379 0.515 1.00 0.00 C ATOM 185 CE2 TYR A 14 -6.831 12.985 -1.181 1.00 0.00 C ATOM 186 CZ TYR A 14 -7.092 12.415 0.048 1.00 0.00 C ATOM 187 OH TYR A 14 -8.137 12.883 0.812 1.00 0.00 O ATOM 0 H TYR A 14 -4.314 8.004 -2.124 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.879 10.131 -4.019 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.018 10.651 -1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.452 11.769 -2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.652 10.102 0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.580 12.960 -2.906 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.518 10.934 1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.444 13.796 -1.545 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.586 13.615 0.339 1.00 0.00 H new ATOM 197 N ASP A 15 -2.764 9.525 -5.165 1.00 0.00 N ATOM 198 CA ASP A 15 -1.606 9.042 -5.908 1.00 0.00 C ATOM 199 C ASP A 15 -0.340 9.133 -5.061 1.00 0.00 C ATOM 200 O ASP A 15 -0.082 10.153 -4.421 1.00 0.00 O ATOM 201 CB ASP A 15 -1.430 9.844 -7.198 1.00 0.00 C ATOM 202 CG ASP A 15 0.021 9.942 -7.626 1.00 0.00 C ATOM 203 OD1 ASP A 15 0.687 8.889 -7.713 1.00 0.00 O ATOM 204 OD2 ASP A 15 0.491 11.072 -7.875 1.00 0.00 O ATOM 0 H ASP A 15 -3.394 10.118 -5.705 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.778 7.996 -6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.010 9.377 -7.994 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.832 10.847 -7.056 1.00 0.00 H new ATOM 209 N TYR A 16 0.444 8.061 -5.062 1.00 0.00 N ATOM 210 CA TYR A 16 1.681 8.019 -4.291 1.00 0.00 C ATOM 211 C TYR A 16 2.897 7.992 -5.213 1.00 0.00 C ATOM 212 O TYR A 16 2.777 7.731 -6.410 1.00 0.00 O ATOM 213 CB TYR A 16 1.695 6.794 -3.376 1.00 0.00 C ATOM 214 CG TYR A 16 3.007 6.593 -2.652 1.00 0.00 C ATOM 215 CD1 TYR A 16 3.402 7.457 -1.638 1.00 0.00 C ATOM 216 CD2 TYR A 16 3.851 5.540 -2.982 1.00 0.00 C ATOM 217 CE1 TYR A 16 4.601 7.278 -0.974 1.00 0.00 C ATOM 218 CE2 TYR A 16 5.050 5.353 -2.322 1.00 0.00 C ATOM 219 CZ TYR A 16 5.421 6.224 -1.320 1.00 0.00 C ATOM 220 OH TYR A 16 6.616 6.042 -0.661 1.00 0.00 O ATOM 0 H TYR A 16 0.245 7.210 -5.588 1.00 0.00 H new ATOM 0 HA TYR A 16 1.729 8.921 -3.681 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.896 6.891 -2.641 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.477 5.906 -3.969 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.761 8.282 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.565 4.856 -3.768 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.894 7.959 -0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.694 4.528 -2.590 1.00 0.00 H new ATOM 0 HH TYR A 16 6.777 5.084 -0.534 1.00 0.00 H new ATOM 230 N ASP A 17 4.067 8.264 -4.645 1.00 0.00 N ATOM 231 CA ASP A 17 5.306 8.270 -5.414 1.00 0.00 C ATOM 232 C ASP A 17 6.518 8.182 -4.491 1.00 0.00 C ATOM 233 O ASP A 17 6.879 9.140 -3.807 1.00 0.00 O ATOM 234 CB ASP A 17 5.393 9.533 -6.272 1.00 0.00 C ATOM 235 CG ASP A 17 4.763 9.349 -7.638 1.00 0.00 C ATOM 236 OD1 ASP A 17 5.478 8.921 -8.569 1.00 0.00 O ATOM 237 OD2 ASP A 17 3.555 9.633 -7.777 1.00 0.00 O ATOM 0 H ASP A 17 4.183 8.483 -3.656 1.00 0.00 H new ATOM 0 HA ASP A 17 5.304 7.397 -6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.898 10.355 -5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.439 9.816 -6.392 1.00 0.00 H new ATOM 242 N PRO A 18 7.162 7.005 -4.470 1.00 0.00 N ATOM 243 CA PRO A 18 8.343 6.764 -3.636 1.00 0.00 C ATOM 244 C PRO A 18 9.565 7.536 -4.123 1.00 0.00 C ATOM 245 O PRO A 18 10.652 7.417 -3.557 1.00 0.00 O ATOM 246 CB PRO A 18 8.572 5.257 -3.773 1.00 0.00 C ATOM 247 CG PRO A 18 7.963 4.899 -5.085 1.00 0.00 C ATOM 248 CD PRO A 18 6.788 5.821 -5.260 1.00 0.00 C ATOM 0 HA PRO A 18 8.191 7.094 -2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.634 5.014 -3.750 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.102 4.709 -2.956 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.681 5.023 -5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.646 3.856 -5.097 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.627 6.072 -6.308 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.865 5.370 -4.895 1.00 0.00 H new ATOM 256 N ARG A 19 9.379 8.327 -5.174 1.00 0.00 N ATOM 257 CA ARG A 19 10.467 9.117 -5.737 1.00 0.00 C ATOM 258 C ARG A 19 10.425 10.550 -5.214 1.00 0.00 C ATOM 259 O ARG A 19 11.460 11.200 -5.076 1.00 0.00 O ATOM 260 CB ARG A 19 10.387 9.118 -7.265 1.00 0.00 C ATOM 261 CG ARG A 19 11.001 7.886 -7.908 1.00 0.00 C ATOM 262 CD ARG A 19 10.980 7.980 -9.426 1.00 0.00 C ATOM 263 NE ARG A 19 12.124 8.726 -9.943 1.00 0.00 N ATOM 264 CZ ARG A 19 13.381 8.312 -9.836 1.00 0.00 C ATOM 265 NH1 ARG A 19 13.655 7.163 -9.234 1.00 0.00 N ATOM 266 NH2 ARG A 19 14.368 9.047 -10.333 1.00 0.00 N ATOM 0 H ARG A 19 8.485 8.438 -5.653 1.00 0.00 H new ATOM 0 HA ARG A 19 11.409 8.663 -5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.342 9.191 -7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.891 10.006 -7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.029 7.769 -7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.455 6.998 -7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.979 6.976 -9.852 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.057 8.463 -9.747 1.00 0.00 H new ATOM 0 HE ARG A 19 11.948 9.614 -10.412 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.899 6.595 -8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.622 6.847 -9.153 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.161 9.931 -10.798 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.333 8.728 -10.250 1.00 0.00 H new ATOM 280 N GLU A 20 9.221 11.034 -4.925 1.00 0.00 N ATOM 281 CA GLU A 20 9.046 12.390 -4.419 1.00 0.00 C ATOM 282 C GLU A 20 8.749 12.378 -2.922 1.00 0.00 C ATOM 283 O GLU A 20 9.360 13.118 -2.151 1.00 0.00 O ATOM 284 CB GLU A 20 7.914 13.096 -5.168 1.00 0.00 C ATOM 285 CG GLU A 20 8.152 13.209 -6.665 1.00 0.00 C ATOM 286 CD GLU A 20 7.712 11.970 -7.421 1.00 0.00 C ATOM 287 OE1 GLU A 20 6.489 11.738 -7.517 1.00 0.00 O ATOM 288 OE2 GLU A 20 8.590 11.232 -7.914 1.00 0.00 O ATOM 0 H GLU A 20 8.354 10.508 -5.032 1.00 0.00 H new ATOM 0 HA GLU A 20 9.976 12.934 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.983 12.555 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.783 14.095 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.614 14.075 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.212 13.385 -6.848 1.00 0.00 H new ATOM 295 N SER A 21 7.806 11.532 -2.519 1.00 0.00 N ATOM 296 CA SER A 21 7.424 11.426 -1.116 1.00 0.00 C ATOM 297 C SER A 21 8.530 10.764 -0.300 1.00 0.00 C ATOM 298 O SER A 21 9.144 11.394 0.561 1.00 0.00 O ATOM 299 CB SER A 21 6.126 10.628 -0.978 1.00 0.00 C ATOM 300 OG SER A 21 5.009 11.396 -1.389 1.00 0.00 O ATOM 0 H SER A 21 7.293 10.910 -3.144 1.00 0.00 H new ATOM 0 HA SER A 21 7.266 12.433 -0.731 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.188 9.720 -1.578 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.995 10.316 0.058 1.00 0.00 H new ATOM 0 HG SER A 21 4.192 10.863 -1.293 1.00 0.00 H new ATOM 306 N SER A 22 8.780 9.488 -0.578 1.00 0.00 N ATOM 307 CA SER A 22 9.809 8.738 0.131 1.00 0.00 C ATOM 308 C SER A 22 11.176 9.393 -0.044 1.00 0.00 C ATOM 309 O SER A 22 11.504 9.932 -1.101 1.00 0.00 O ATOM 310 CB SER A 22 9.855 7.294 -0.371 1.00 0.00 C ATOM 311 OG SER A 22 10.274 6.410 0.654 1.00 0.00 O ATOM 0 H SER A 22 8.283 8.952 -1.290 1.00 0.00 H new ATOM 0 HA SER A 22 9.558 8.738 1.192 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.869 6.999 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.537 7.222 -1.219 1.00 0.00 H new ATOM 0 HG SER A 22 10.214 5.486 0.334 1.00 0.00 H new ATOM 317 N PRO A 23 11.994 9.346 1.018 1.00 0.00 N ATOM 318 CA PRO A 23 13.339 9.929 1.008 1.00 0.00 C ATOM 319 C PRO A 23 14.299 9.155 0.111 1.00 0.00 C ATOM 320 O PRO A 23 15.508 9.381 0.140 1.00 0.00 O ATOM 321 CB PRO A 23 13.778 9.832 2.471 1.00 0.00 C ATOM 322 CG PRO A 23 12.989 8.699 3.030 1.00 0.00 C ATOM 323 CD PRO A 23 11.669 8.719 2.311 1.00 0.00 C ATOM 0 HA PRO A 23 13.340 10.946 0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 23 14.849 9.646 2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.574 10.759 3.008 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.504 7.751 2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.850 8.813 4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.267 7.714 2.181 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.922 9.293 2.859 1.00 0.00 H new ATOM 331 N ASN A 24 13.752 8.243 -0.686 1.00 0.00 N ATOM 332 CA ASN A 24 14.562 7.436 -1.592 1.00 0.00 C ATOM 333 C ASN A 24 15.320 6.355 -0.827 1.00 0.00 C ATOM 334 O ASN A 24 16.534 6.213 -0.973 1.00 0.00 O ATOM 335 CB ASN A 24 15.546 8.322 -2.356 1.00 0.00 C ATOM 336 CG ASN A 24 14.995 9.712 -2.613 1.00 0.00 C ATOM 337 OD1 ASN A 24 13.818 9.875 -2.935 1.00 0.00 O ATOM 338 ND2 ASN A 24 15.846 10.721 -2.470 1.00 0.00 N ATOM 0 H ASN A 24 12.752 8.044 -0.723 1.00 0.00 H new ATOM 0 HA ASN A 24 13.893 6.951 -2.303 1.00 0.00 H new ATOM 0 HB2 ASN A 24 16.474 8.401 -1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 24 15.792 7.850 -3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.533 11.679 -2.629 1.00 0.00 H new ATOM 0 HD22 ASN A 24 16.813 10.538 -2.202 1.00 0.00 H new ATOM 345 N VAL A 25 14.596 5.596 -0.011 1.00 0.00 N ATOM 346 CA VAL A 25 15.200 4.527 0.776 1.00 0.00 C ATOM 347 C VAL A 25 14.802 3.157 0.238 1.00 0.00 C ATOM 348 O VAL A 25 13.783 2.593 0.640 1.00 0.00 O ATOM 349 CB VAL A 25 14.793 4.623 2.258 1.00 0.00 C ATOM 350 CG1 VAL A 25 15.721 5.568 3.006 1.00 0.00 C ATOM 351 CG2 VAL A 25 13.346 5.073 2.385 1.00 0.00 C ATOM 0 H VAL A 25 13.590 5.701 0.123 1.00 0.00 H new ATOM 0 HA VAL A 25 16.281 4.646 0.696 1.00 0.00 H new ATOM 0 HB VAL A 25 14.882 3.633 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.418 5.623 4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 25 16.744 5.198 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.666 6.561 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.076 5.135 3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.228 6.052 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.696 4.354 1.886 1.00 0.00 H new ATOM 361 N ASP A 26 15.611 2.626 -0.671 1.00 0.00 N ATOM 362 CA ASP A 26 15.345 1.321 -1.263 1.00 0.00 C ATOM 363 C ASP A 26 14.013 1.323 -2.007 1.00 0.00 C ATOM 364 O ASP A 26 13.365 0.285 -2.143 1.00 0.00 O ATOM 365 CB ASP A 26 15.338 0.239 -0.182 1.00 0.00 C ATOM 366 CG ASP A 26 16.724 -0.307 0.100 1.00 0.00 C ATOM 367 OD1 ASP A 26 17.592 -0.209 -0.792 1.00 0.00 O ATOM 368 OD2 ASP A 26 16.940 -0.831 1.213 1.00 0.00 O ATOM 0 H ASP A 26 16.458 3.080 -1.014 1.00 0.00 H new ATOM 0 HA ASP A 26 16.139 1.105 -1.977 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.919 0.650 0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.686 -0.577 -0.493 1.00 0.00 H new ATOM 373 N VAL A 27 13.610 2.496 -2.486 1.00 0.00 N ATOM 374 CA VAL A 27 12.356 2.633 -3.216 1.00 0.00 C ATOM 375 C VAL A 27 12.212 1.543 -4.271 1.00 0.00 C ATOM 376 O VAL A 27 11.104 1.230 -4.707 1.00 0.00 O ATOM 377 CB VAL A 27 12.251 4.010 -3.898 1.00 0.00 C ATOM 378 CG1 VAL A 27 12.291 5.124 -2.862 1.00 0.00 C ATOM 379 CG2 VAL A 27 13.364 4.183 -4.921 1.00 0.00 C ATOM 0 H VAL A 27 14.134 3.365 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 27 11.553 2.535 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 27 11.296 4.066 -4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.216 6.089 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.457 5.008 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.230 5.074 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.275 5.161 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.331 4.107 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.285 3.405 -5.680 1.00 0.00 H new ATOM 389 N GLU A 28 13.339 0.968 -4.678 1.00 0.00 N ATOM 390 CA GLU A 28 13.338 -0.088 -5.683 1.00 0.00 C ATOM 391 C GLU A 28 12.315 -1.167 -5.339 1.00 0.00 C ATOM 392 O GLU A 28 11.853 -1.901 -6.211 1.00 0.00 O ATOM 393 CB GLU A 28 14.730 -0.711 -5.803 1.00 0.00 C ATOM 394 CG GLU A 28 15.671 0.071 -6.705 1.00 0.00 C ATOM 395 CD GLU A 28 16.784 -0.789 -7.272 1.00 0.00 C ATOM 396 OE1 GLU A 28 16.477 -1.863 -7.830 1.00 0.00 O ATOM 397 OE2 GLU A 28 17.961 -0.387 -7.159 1.00 0.00 O ATOM 0 H GLU A 28 14.264 1.216 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 28 13.063 0.358 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.172 -0.787 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.633 -1.727 -6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.102 0.509 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.106 0.897 -6.142 1.00 0.00 H new ATOM 404 N ALA A 29 11.965 -1.255 -4.059 1.00 0.00 N ATOM 405 CA ALA A 29 10.996 -2.242 -3.598 1.00 0.00 C ATOM 406 C ALA A 29 9.619 -1.615 -3.415 1.00 0.00 C ATOM 407 O ALA A 29 8.597 -2.278 -3.587 1.00 0.00 O ATOM 408 CB ALA A 29 11.467 -2.876 -2.298 1.00 0.00 C ATOM 0 H ALA A 29 12.338 -0.655 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 29 10.914 -3.018 -4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.734 -3.611 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.426 -3.368 -2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.579 -2.104 -1.536 1.00 0.00 H new ATOM 414 N GLU A 30 9.599 -0.332 -3.065 1.00 0.00 N ATOM 415 CA GLU A 30 8.346 0.383 -2.856 1.00 0.00 C ATOM 416 C GLU A 30 7.447 0.273 -4.084 1.00 0.00 C ATOM 417 O GLU A 30 7.927 0.127 -5.209 1.00 0.00 O ATOM 418 CB GLU A 30 8.619 1.855 -2.541 1.00 0.00 C ATOM 419 CG GLU A 30 9.030 2.103 -1.099 1.00 0.00 C ATOM 420 CD GLU A 30 8.862 3.552 -0.685 1.00 0.00 C ATOM 421 OE1 GLU A 30 9.647 4.399 -1.161 1.00 0.00 O ATOM 422 OE2 GLU A 30 7.946 3.839 0.114 1.00 0.00 O ATOM 0 H GLU A 30 10.436 0.233 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 30 7.834 -0.073 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.405 2.219 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.724 2.437 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.434 1.470 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.071 1.810 -0.966 1.00 0.00 H new ATOM 429 N LEU A 31 6.139 0.345 -3.861 1.00 0.00 N ATOM 430 CA LEU A 31 5.171 0.253 -4.948 1.00 0.00 C ATOM 431 C LEU A 31 4.621 1.630 -5.305 1.00 0.00 C ATOM 432 O LEU A 31 4.254 2.411 -4.426 1.00 0.00 O ATOM 433 CB LEU A 31 4.024 -0.682 -4.559 1.00 0.00 C ATOM 434 CG LEU A 31 4.293 -2.178 -4.721 1.00 0.00 C ATOM 435 CD1 LEU A 31 3.054 -2.985 -4.365 1.00 0.00 C ATOM 436 CD2 LEU A 31 4.744 -2.488 -6.141 1.00 0.00 C ATOM 0 H LEU A 31 5.725 0.467 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 31 5.681 -0.152 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.763 -0.491 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.152 -0.423 -5.159 1.00 0.00 H new ATOM 0 HG LEU A 31 5.094 -2.460 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.265 -4.048 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.775 -2.786 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.233 -2.700 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.931 -3.557 -6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.965 -2.191 -6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.659 -1.938 -6.360 1.00 0.00 H new ATOM 448 N THR A 32 4.563 1.921 -6.601 1.00 0.00 N ATOM 449 CA THR A 32 4.057 3.203 -7.074 1.00 0.00 C ATOM 450 C THR A 32 2.650 3.062 -7.643 1.00 0.00 C ATOM 451 O THR A 32 2.471 2.657 -8.792 1.00 0.00 O ATOM 452 CB THR A 32 4.976 3.807 -8.153 1.00 0.00 C ATOM 453 OG1 THR A 32 6.340 3.758 -7.718 1.00 0.00 O ATOM 454 CG2 THR A 32 4.585 5.246 -8.454 1.00 0.00 C ATOM 0 H THR A 32 4.860 1.286 -7.342 1.00 0.00 H new ATOM 0 HA THR A 32 4.033 3.870 -6.213 1.00 0.00 H new ATOM 0 HB THR A 32 4.864 3.220 -9.064 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.918 4.142 -8.410 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.248 5.651 -9.219 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.556 5.276 -8.813 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.670 5.844 -7.546 1.00 0.00 H new ATOM 462 N PHE A 33 1.652 3.400 -6.832 1.00 0.00 N ATOM 463 CA PHE A 33 0.260 3.311 -7.255 1.00 0.00 C ATOM 464 C PHE A 33 -0.344 4.701 -7.436 1.00 0.00 C ATOM 465 O PHE A 33 0.299 5.711 -7.149 1.00 0.00 O ATOM 466 CB PHE A 33 -0.556 2.517 -6.233 1.00 0.00 C ATOM 467 CG PHE A 33 -0.233 2.865 -4.808 1.00 0.00 C ATOM 468 CD1 PHE A 33 0.917 2.379 -4.206 1.00 0.00 C ATOM 469 CD2 PHE A 33 -1.078 3.677 -4.070 1.00 0.00 C ATOM 470 CE1 PHE A 33 1.218 2.697 -2.895 1.00 0.00 C ATOM 471 CE2 PHE A 33 -0.782 3.999 -2.759 1.00 0.00 C ATOM 472 CZ PHE A 33 0.367 3.508 -2.170 1.00 0.00 C ATOM 0 H PHE A 33 1.782 3.738 -5.878 1.00 0.00 H new ATOM 0 HA PHE A 33 0.230 2.794 -8.214 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.617 2.694 -6.410 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.380 1.452 -6.388 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.586 1.744 -4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.979 4.063 -4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.118 2.312 -2.438 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.449 4.634 -2.195 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.599 3.758 -1.145 1.00 0.00 H new ATOM 482 N CYS A 34 -1.583 4.743 -7.914 1.00 0.00 N ATOM 483 CA CYS A 34 -2.274 6.008 -8.135 1.00 0.00 C ATOM 484 C CYS A 34 -3.556 6.078 -7.312 1.00 0.00 C ATOM 485 O CYS A 34 -3.907 5.132 -6.606 1.00 0.00 O ATOM 486 CB CYS A 34 -2.596 6.185 -9.620 1.00 0.00 C ATOM 487 SG CYS A 34 -1.268 6.953 -10.577 1.00 0.00 S ATOM 0 H CYS A 34 -2.129 3.916 -8.156 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.614 6.815 -7.816 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.822 5.209 -10.050 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.496 6.792 -9.716 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.634 7.058 -11.820 1.00 0.00 H new ATOM 493 N THR A 35 -4.253 7.207 -7.407 1.00 0.00 N ATOM 494 CA THR A 35 -5.495 7.402 -6.670 1.00 0.00 C ATOM 495 C THR A 35 -6.558 6.400 -7.107 1.00 0.00 C ATOM 496 O THR A 35 -6.965 6.379 -8.268 1.00 0.00 O ATOM 497 CB THR A 35 -6.043 8.829 -6.859 1.00 0.00 C ATOM 498 OG1 THR A 35 -5.033 9.789 -6.529 1.00 0.00 O ATOM 499 CG2 THR A 35 -7.270 9.058 -5.990 1.00 0.00 C ATOM 0 H THR A 35 -3.978 8.000 -7.987 1.00 0.00 H new ATOM 0 HA THR A 35 -5.264 7.246 -5.616 1.00 0.00 H new ATOM 0 HB THR A 35 -6.330 8.948 -7.904 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.422 9.895 -7.288 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.639 10.073 -6.141 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.048 8.345 -6.263 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.004 8.921 -4.942 1.00 0.00 H new ATOM 507 N GLY A 36 -7.004 5.570 -6.169 1.00 0.00 N ATOM 508 CA GLY A 36 -8.016 4.577 -6.478 1.00 0.00 C ATOM 509 C GLY A 36 -7.440 3.180 -6.599 1.00 0.00 C ATOM 510 O GLY A 36 -8.068 2.204 -6.187 1.00 0.00 O ATOM 0 H GLY A 36 -6.683 5.568 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.779 4.586 -5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.510 4.845 -7.412 1.00 0.00 H new ATOM 514 N ASP A 37 -6.243 3.083 -7.166 1.00 0.00 N ATOM 515 CA ASP A 37 -5.582 1.794 -7.341 1.00 0.00 C ATOM 516 C ASP A 37 -5.693 0.950 -6.075 1.00 0.00 C ATOM 517 O ASP A 37 -5.263 1.368 -4.999 1.00 0.00 O ATOM 518 CB ASP A 37 -4.110 1.997 -7.706 1.00 0.00 C ATOM 519 CG ASP A 37 -3.903 2.179 -9.196 1.00 0.00 C ATOM 520 OD1 ASP A 37 -4.537 1.439 -9.978 1.00 0.00 O ATOM 521 OD2 ASP A 37 -3.108 3.061 -9.581 1.00 0.00 O ATOM 0 H ASP A 37 -5.710 3.881 -7.512 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.080 1.265 -8.153 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.725 2.870 -7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.532 1.138 -7.364 1.00 0.00 H new ATOM 526 N ILE A 38 -6.273 -0.237 -6.211 1.00 0.00 N ATOM 527 CA ILE A 38 -6.441 -1.139 -5.078 1.00 0.00 C ATOM 528 C ILE A 38 -5.194 -1.990 -4.864 1.00 0.00 C ATOM 529 O ILE A 38 -4.566 -2.442 -5.822 1.00 0.00 O ATOM 530 CB ILE A 38 -7.655 -2.067 -5.272 1.00 0.00 C ATOM 531 CG1 ILE A 38 -8.929 -1.242 -5.467 1.00 0.00 C ATOM 532 CG2 ILE A 38 -7.801 -3.004 -4.082 1.00 0.00 C ATOM 533 CD1 ILE A 38 -9.267 -0.364 -4.282 1.00 0.00 C ATOM 0 H ILE A 38 -6.635 -0.597 -7.094 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.608 -0.515 -4.200 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.494 -2.669 -6.166 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.815 -0.616 -6.352 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.763 -1.917 -5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.663 -3.653 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.901 -3.612 -3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.943 -2.419 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.181 0.192 -4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.413 -0.986 -3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.450 0.335 -4.103 1.00 0.00 H new ATOM 545 N ILE A 39 -4.842 -2.207 -3.601 1.00 0.00 N ATOM 546 CA ILE A 39 -3.672 -3.007 -3.262 1.00 0.00 C ATOM 547 C ILE A 39 -3.977 -3.971 -2.120 1.00 0.00 C ATOM 548 O ILE A 39 -4.582 -3.592 -1.117 1.00 0.00 O ATOM 549 CB ILE A 39 -2.479 -2.118 -2.862 1.00 0.00 C ATOM 550 CG1 ILE A 39 -2.116 -1.169 -4.007 1.00 0.00 C ATOM 551 CG2 ILE A 39 -1.283 -2.977 -2.480 1.00 0.00 C ATOM 552 CD1 ILE A 39 -1.528 0.144 -3.539 1.00 0.00 C ATOM 0 H ILE A 39 -5.350 -1.840 -2.796 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.409 -3.575 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.764 -1.521 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.402 -1.663 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.009 -0.968 -4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.448 -2.335 -2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.548 -3.616 -1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.995 -3.597 -3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.295 0.767 -4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.249 0.660 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.617 -0.047 -2.972 1.00 0.00 H new ATOM 564 N THR A 40 -3.553 -5.221 -2.279 1.00 0.00 N ATOM 565 CA THR A 40 -3.780 -6.240 -1.262 1.00 0.00 C ATOM 566 C THR A 40 -2.595 -6.339 -0.309 1.00 0.00 C ATOM 567 O THR A 40 -1.638 -7.070 -0.566 1.00 0.00 O ATOM 568 CB THR A 40 -4.031 -7.621 -1.897 1.00 0.00 C ATOM 569 OG1 THR A 40 -5.123 -7.545 -2.821 1.00 0.00 O ATOM 570 CG2 THR A 40 -4.336 -8.660 -0.829 1.00 0.00 C ATOM 0 H THR A 40 -3.050 -5.552 -3.103 1.00 0.00 H new ATOM 0 HA THR A 40 -4.667 -5.938 -0.704 1.00 0.00 H new ATOM 0 HB THR A 40 -3.127 -7.922 -2.427 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.275 -8.427 -3.221 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.510 -9.627 -1.301 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.491 -8.737 -0.144 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.226 -8.362 -0.275 1.00 0.00 H new ATOM 578 N VAL A 41 -2.665 -5.600 0.794 1.00 0.00 N ATOM 579 CA VAL A 41 -1.598 -5.607 1.788 1.00 0.00 C ATOM 580 C VAL A 41 -1.557 -6.931 2.541 1.00 0.00 C ATOM 581 O VAL A 41 -2.567 -7.626 2.652 1.00 0.00 O ATOM 582 CB VAL A 41 -1.766 -4.458 2.799 1.00 0.00 C ATOM 583 CG1 VAL A 41 -1.719 -3.112 2.092 1.00 0.00 C ATOM 584 CG2 VAL A 41 -3.066 -4.616 3.574 1.00 0.00 C ATOM 0 H VAL A 41 -3.449 -4.989 1.022 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.661 -5.471 1.248 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.939 -4.498 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.839 -2.313 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.760 -3.000 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.524 -3.058 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.168 -3.795 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.907 -4.603 2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.055 -5.563 4.113 1.00 0.00 H new ATOM 594 N PHE A 42 -0.382 -7.275 3.059 1.00 0.00 N ATOM 595 CA PHE A 42 -0.209 -8.517 3.803 1.00 0.00 C ATOM 596 C PHE A 42 0.550 -8.270 5.104 1.00 0.00 C ATOM 597 O PHE A 42 1.722 -7.896 5.091 1.00 0.00 O ATOM 598 CB PHE A 42 0.537 -9.546 2.952 1.00 0.00 C ATOM 599 CG PHE A 42 -0.218 -9.970 1.725 1.00 0.00 C ATOM 600 CD1 PHE A 42 -1.388 -10.704 1.834 1.00 0.00 C ATOM 601 CD2 PHE A 42 0.241 -9.633 0.462 1.00 0.00 C ATOM 602 CE1 PHE A 42 -2.085 -11.095 0.707 1.00 0.00 C ATOM 603 CE2 PHE A 42 -0.452 -10.021 -0.670 1.00 0.00 C ATOM 604 CZ PHE A 42 -1.617 -10.753 -0.547 1.00 0.00 C ATOM 0 H PHE A 42 0.464 -6.711 2.977 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.197 -8.906 4.047 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.498 -9.129 2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.748 -10.425 3.561 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.760 -10.974 2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.151 -9.060 0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.995 -11.668 0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.083 -9.752 -1.649 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.161 -11.057 -1.429 1.00 0.00 H new ATOM 614 N GLY A 43 -0.129 -8.482 6.228 1.00 0.00 N ATOM 615 CA GLY A 43 0.496 -8.277 7.521 1.00 0.00 C ATOM 616 C GLY A 43 0.214 -6.901 8.090 1.00 0.00 C ATOM 617 O GLY A 43 -0.458 -6.087 7.457 1.00 0.00 O ATOM 0 H GLY A 43 -1.100 -8.792 6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.139 -9.035 8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.573 -8.414 7.426 1.00 0.00 H new ATOM 621 N GLU A 44 0.729 -6.640 9.287 1.00 0.00 N ATOM 622 CA GLU A 44 0.527 -5.352 9.941 1.00 0.00 C ATOM 623 C GLU A 44 1.622 -4.365 9.549 1.00 0.00 C ATOM 624 O GLU A 44 2.529 -4.699 8.786 1.00 0.00 O ATOM 625 CB GLU A 44 0.502 -5.525 11.461 1.00 0.00 C ATOM 626 CG GLU A 44 1.802 -6.065 12.034 1.00 0.00 C ATOM 627 CD GLU A 44 1.607 -6.764 13.365 1.00 0.00 C ATOM 628 OE1 GLU A 44 0.724 -7.643 13.449 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.337 -6.433 14.322 1.00 0.00 O ATOM 0 H GLU A 44 1.289 -7.303 9.824 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.433 -4.953 9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.283 -4.563 11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.311 -6.200 11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.246 -6.762 11.323 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.508 -5.244 12.159 1.00 0.00 H new ATOM 636 N ILE A 45 1.529 -3.148 10.075 1.00 0.00 N ATOM 637 CA ILE A 45 2.511 -2.112 9.780 1.00 0.00 C ATOM 638 C ILE A 45 3.833 -2.391 10.488 1.00 0.00 C ATOM 639 O ILE A 45 3.863 -2.639 11.693 1.00 0.00 O ATOM 640 CB ILE A 45 2.003 -0.719 10.196 1.00 0.00 C ATOM 641 CG1 ILE A 45 0.693 -0.394 9.474 1.00 0.00 C ATOM 642 CG2 ILE A 45 3.055 0.339 9.899 1.00 0.00 C ATOM 643 CD1 ILE A 45 0.084 0.925 9.894 1.00 0.00 C ATOM 0 H ILE A 45 0.784 -2.856 10.707 1.00 0.00 H new ATOM 0 HA ILE A 45 2.669 -2.125 8.702 1.00 0.00 H new ATOM 0 HB ILE A 45 1.813 -0.723 11.269 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.875 -0.376 8.399 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.024 -1.193 9.662 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.681 1.318 10.199 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.965 0.113 10.454 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.273 0.345 8.831 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.841 1.091 9.342 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.129 0.903 10.963 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.783 1.733 9.680 1.00 0.00 H new ATOM 655 N ASP A 46 4.924 -2.346 9.731 1.00 0.00 N ATOM 656 CA ASP A 46 6.250 -2.590 10.286 1.00 0.00 C ATOM 657 C ASP A 46 6.758 -1.365 11.039 1.00 0.00 C ATOM 658 O ASP A 46 6.141 -0.302 11.001 1.00 0.00 O ATOM 659 CB ASP A 46 7.231 -2.964 9.173 1.00 0.00 C ATOM 660 CG ASP A 46 6.919 -4.312 8.554 1.00 0.00 C ATOM 661 OD1 ASP A 46 5.766 -4.511 8.115 1.00 0.00 O ATOM 662 OD2 ASP A 46 7.827 -5.167 8.507 1.00 0.00 O ATOM 0 H ASP A 46 4.916 -2.143 8.731 1.00 0.00 H new ATOM 0 HA ASP A 46 6.176 -3.420 10.988 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.206 -2.198 8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.244 -2.978 9.575 1.00 0.00 H new ATOM 667 N GLU A 47 7.887 -1.524 11.724 1.00 0.00 N ATOM 668 CA GLU A 47 8.476 -0.430 12.488 1.00 0.00 C ATOM 669 C GLU A 47 8.589 0.830 11.635 1.00 0.00 C ATOM 670 O GLU A 47 8.363 1.941 12.116 1.00 0.00 O ATOM 671 CB GLU A 47 9.857 -0.830 13.012 1.00 0.00 C ATOM 672 CG GLU A 47 9.838 -2.064 13.898 1.00 0.00 C ATOM 673 CD GLU A 47 11.078 -2.181 14.762 1.00 0.00 C ATOM 674 OE1 GLU A 47 12.174 -1.832 14.276 1.00 0.00 O ATOM 675 OE2 GLU A 47 10.953 -2.621 15.924 1.00 0.00 O ATOM 0 H GLU A 47 8.411 -2.398 11.765 1.00 0.00 H new ATOM 0 HA GLU A 47 7.822 -0.218 13.334 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.519 -1.011 12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.279 0.004 13.574 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.956 -2.034 14.537 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.749 -2.953 13.274 1.00 0.00 H new ATOM 682 N ASP A 48 8.940 0.649 10.367 1.00 0.00 N ATOM 683 CA ASP A 48 9.083 1.771 9.446 1.00 0.00 C ATOM 684 C ASP A 48 7.783 2.563 9.348 1.00 0.00 C ATOM 685 O ASP A 48 7.791 3.793 9.368 1.00 0.00 O ATOM 686 CB ASP A 48 9.495 1.271 8.060 1.00 0.00 C ATOM 687 CG ASP A 48 10.289 2.304 7.285 1.00 0.00 C ATOM 688 OD1 ASP A 48 10.036 3.512 7.474 1.00 0.00 O ATOM 689 OD2 ASP A 48 11.164 1.904 6.489 1.00 0.00 O ATOM 0 H ASP A 48 9.131 -0.264 9.953 1.00 0.00 H new ATOM 0 HA ASP A 48 9.861 2.430 9.833 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.090 0.364 8.166 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.603 1.003 7.494 1.00 0.00 H new ATOM 694 N GLY A 49 6.667 1.848 9.242 1.00 0.00 N ATOM 695 CA GLY A 49 5.374 2.501 9.142 1.00 0.00 C ATOM 696 C GLY A 49 4.753 2.350 7.767 1.00 0.00 C ATOM 697 O GLY A 49 4.039 3.237 7.300 1.00 0.00 O ATOM 0 H GLY A 49 6.635 0.829 9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.700 2.082 9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.487 3.560 9.372 1.00 0.00 H new ATOM 701 N PHE A 50 5.026 1.223 7.117 1.00 0.00 N ATOM 702 CA PHE A 50 4.491 0.960 5.787 1.00 0.00 C ATOM 703 C PHE A 50 3.815 -0.407 5.733 1.00 0.00 C ATOM 704 O PHE A 50 3.843 -1.164 6.705 1.00 0.00 O ATOM 705 CB PHE A 50 5.607 1.031 4.742 1.00 0.00 C ATOM 706 CG PHE A 50 6.241 2.388 4.634 1.00 0.00 C ATOM 707 CD1 PHE A 50 7.147 2.822 5.589 1.00 0.00 C ATOM 708 CD2 PHE A 50 5.931 3.230 3.578 1.00 0.00 C ATOM 709 CE1 PHE A 50 7.733 4.070 5.492 1.00 0.00 C ATOM 710 CE2 PHE A 50 6.514 4.479 3.476 1.00 0.00 C ATOM 711 CZ PHE A 50 7.415 4.900 4.435 1.00 0.00 C ATOM 0 H PHE A 50 5.614 0.478 7.490 1.00 0.00 H new ATOM 0 HA PHE A 50 3.745 1.724 5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.375 0.299 4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.202 0.749 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.398 2.178 6.419 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.226 2.907 2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.439 4.396 6.242 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.265 5.125 2.647 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.870 5.877 4.358 1.00 0.00 H new ATOM 721 N TYR A 51 3.209 -0.717 4.593 1.00 0.00 N ATOM 722 CA TYR A 51 2.523 -1.991 4.413 1.00 0.00 C ATOM 723 C TYR A 51 3.132 -2.778 3.256 1.00 0.00 C ATOM 724 O TYR A 51 3.717 -2.203 2.338 1.00 0.00 O ATOM 725 CB TYR A 51 1.033 -1.760 4.159 1.00 0.00 C ATOM 726 CG TYR A 51 0.198 -1.746 5.420 1.00 0.00 C ATOM 727 CD1 TYR A 51 0.378 -2.709 6.406 1.00 0.00 C ATOM 728 CD2 TYR A 51 -0.770 -0.771 5.625 1.00 0.00 C ATOM 729 CE1 TYR A 51 -0.382 -2.700 7.559 1.00 0.00 C ATOM 730 CE2 TYR A 51 -1.534 -0.755 6.776 1.00 0.00 C ATOM 731 CZ TYR A 51 -1.336 -1.721 7.740 1.00 0.00 C ATOM 732 OH TYR A 51 -2.096 -1.709 8.887 1.00 0.00 O ATOM 0 H TYR A 51 3.179 -0.103 3.779 1.00 0.00 H new ATOM 0 HA TYR A 51 2.643 -2.572 5.327 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.905 -0.811 3.638 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.661 -2.541 3.496 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.125 -3.477 6.268 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.928 -0.013 4.872 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.230 -3.456 8.315 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.282 0.010 6.920 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.720 -0.954 8.858 1.00 0.00 H new ATOM 742 N TYR A 52 2.989 -4.098 3.309 1.00 0.00 N ATOM 743 CA TYR A 52 3.525 -4.966 2.267 1.00 0.00 C ATOM 744 C TYR A 52 2.401 -5.629 1.478 1.00 0.00 C ATOM 745 O TYR A 52 1.856 -6.652 1.891 1.00 0.00 O ATOM 746 CB TYR A 52 4.431 -6.035 2.882 1.00 0.00 C ATOM 747 CG TYR A 52 5.550 -6.480 1.967 1.00 0.00 C ATOM 748 CD1 TYR A 52 5.354 -6.580 0.595 1.00 0.00 C ATOM 749 CD2 TYR A 52 6.803 -6.799 2.475 1.00 0.00 C ATOM 750 CE1 TYR A 52 6.373 -6.986 -0.244 1.00 0.00 C ATOM 751 CE2 TYR A 52 7.828 -7.206 1.643 1.00 0.00 C ATOM 752 CZ TYR A 52 7.608 -7.298 0.284 1.00 0.00 C ATOM 753 OH TYR A 52 8.626 -7.702 -0.548 1.00 0.00 O ATOM 0 H TYR A 52 2.507 -4.590 4.062 1.00 0.00 H new ATOM 0 HA TYR A 52 4.110 -4.352 1.583 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.861 -5.648 3.806 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.826 -6.901 3.150 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.388 -6.336 0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.979 -6.728 3.538 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.203 -7.059 -1.308 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.796 -7.451 2.054 1.00 0.00 H new ATOM 0 HH TYR A 52 9.430 -7.882 -0.017 1.00 0.00 H new ATOM 763 N GLY A 53 2.059 -5.038 0.337 1.00 0.00 N ATOM 764 CA GLY A 53 1.002 -5.584 -0.494 1.00 0.00 C ATOM 765 C GLY A 53 1.471 -5.890 -1.902 1.00 0.00 C ATOM 766 O GLY A 53 2.656 -5.767 -2.208 1.00 0.00 O ATOM 0 H GLY A 53 2.495 -4.191 -0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.618 -6.496 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.175 -4.876 -0.536 1.00 0.00 H new ATOM 770 N GLU A 54 0.538 -6.291 -2.761 1.00 0.00 N ATOM 771 CA GLU A 54 0.865 -6.618 -4.144 1.00 0.00 C ATOM 772 C GLU A 54 0.034 -5.780 -5.112 1.00 0.00 C ATOM 773 O GLU A 54 -1.125 -5.463 -4.840 1.00 0.00 O ATOM 774 CB GLU A 54 0.628 -8.106 -4.409 1.00 0.00 C ATOM 775 CG GLU A 54 1.414 -8.646 -5.592 1.00 0.00 C ATOM 776 CD GLU A 54 0.894 -9.987 -6.074 1.00 0.00 C ATOM 777 OE1 GLU A 54 -0.341 -10.155 -6.145 1.00 0.00 O ATOM 778 OE2 GLU A 54 1.724 -10.868 -6.381 1.00 0.00 O ATOM 0 H GLU A 54 -0.448 -6.397 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 54 1.919 -6.391 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.895 -8.672 -3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.435 -8.270 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.370 -7.928 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.463 -8.746 -5.312 1.00 0.00 H new ATOM 785 N LEU A 55 0.635 -5.423 -6.241 1.00 0.00 N ATOM 786 CA LEU A 55 -0.048 -4.621 -7.250 1.00 0.00 C ATOM 787 C LEU A 55 0.473 -4.944 -8.647 1.00 0.00 C ATOM 788 O LEU A 55 1.677 -5.087 -8.853 1.00 0.00 O ATOM 789 CB LEU A 55 0.138 -3.131 -6.957 1.00 0.00 C ATOM 790 CG LEU A 55 -0.441 -2.166 -7.993 1.00 0.00 C ATOM 791 CD1 LEU A 55 -1.960 -2.177 -7.943 1.00 0.00 C ATOM 792 CD2 LEU A 55 0.092 -0.758 -7.766 1.00 0.00 C ATOM 0 H LEU A 55 1.594 -5.676 -6.481 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.110 -4.863 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.317 -2.911 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.205 -2.931 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.129 -2.496 -8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.354 -1.484 -8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.324 -3.182 -8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.294 -1.872 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.330 -0.085 -8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.190 -0.418 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.178 -0.762 -7.854 1.00 0.00 H new ATOM 804 N ASN A 56 -0.443 -5.056 -9.604 1.00 0.00 N ATOM 805 CA ASN A 56 -0.076 -5.360 -10.982 1.00 0.00 C ATOM 806 C ASN A 56 0.951 -6.488 -11.035 1.00 0.00 C ATOM 807 O ASN A 56 1.796 -6.530 -11.928 1.00 0.00 O ATOM 808 CB ASN A 56 0.483 -4.114 -11.670 1.00 0.00 C ATOM 809 CG ASN A 56 -0.519 -2.975 -11.706 1.00 0.00 C ATOM 810 OD1 ASN A 56 -1.718 -3.194 -11.877 1.00 0.00 O ATOM 811 ND2 ASN A 56 -0.029 -1.751 -11.544 1.00 0.00 N ATOM 0 H ASN A 56 -1.445 -4.941 -9.450 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.974 -5.685 -11.508 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.382 -3.787 -11.148 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.779 -4.366 -12.688 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.654 -0.945 -11.558 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.973 -1.617 -11.405 1.00 0.00 H new ATOM 818 N GLY A 57 0.871 -7.400 -10.071 1.00 0.00 N ATOM 819 CA GLY A 57 1.799 -8.515 -10.026 1.00 0.00 C ATOM 820 C GLY A 57 3.153 -8.121 -9.470 1.00 0.00 C ATOM 821 O GLY A 57 4.179 -8.666 -9.875 1.00 0.00 O ATOM 0 H GLY A 57 0.180 -7.387 -9.321 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.376 -9.311 -9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.926 -8.919 -11.030 1.00 0.00 H new ATOM 825 N GLN A 58 3.155 -7.170 -8.541 1.00 0.00 N ATOM 826 CA GLN A 58 4.394 -6.702 -7.931 1.00 0.00 C ATOM 827 C GLN A 58 4.242 -6.574 -6.419 1.00 0.00 C ATOM 828 O GLN A 58 3.328 -5.910 -5.930 1.00 0.00 O ATOM 829 CB GLN A 58 4.806 -5.356 -8.530 1.00 0.00 C ATOM 830 CG GLN A 58 5.535 -5.479 -9.859 1.00 0.00 C ATOM 831 CD GLN A 58 6.386 -4.264 -10.172 1.00 0.00 C ATOM 832 OE1 GLN A 58 5.963 -3.126 -9.966 1.00 0.00 O ATOM 833 NE2 GLN A 58 7.593 -4.500 -10.673 1.00 0.00 N ATOM 0 H GLN A 58 2.313 -6.709 -8.195 1.00 0.00 H new ATOM 0 HA GLN A 58 5.172 -7.437 -8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.916 -4.742 -8.669 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.447 -4.833 -7.820 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.168 -6.366 -9.841 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.806 -5.623 -10.657 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.902 -5.460 -10.827 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.211 -3.722 -10.903 1.00 0.00 H new ATOM 842 N LYS A 59 5.144 -7.214 -5.682 1.00 0.00 N ATOM 843 CA LYS A 59 5.111 -7.172 -4.225 1.00 0.00 C ATOM 844 C LYS A 59 6.137 -6.179 -3.687 1.00 0.00 C ATOM 845 O LYS A 59 7.337 -6.329 -3.911 1.00 0.00 O ATOM 846 CB LYS A 59 5.381 -8.563 -3.648 1.00 0.00 C ATOM 847 CG LYS A 59 4.210 -9.519 -3.793 1.00 0.00 C ATOM 848 CD LYS A 59 4.410 -10.776 -2.963 1.00 0.00 C ATOM 849 CE LYS A 59 3.907 -10.589 -1.539 1.00 0.00 C ATOM 850 NZ LYS A 59 3.978 -11.854 -0.756 1.00 0.00 N ATOM 0 H LYS A 59 5.907 -7.768 -6.070 1.00 0.00 H new ATOM 0 HA LYS A 59 4.118 -6.845 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.252 -8.991 -4.145 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.632 -8.467 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.291 -9.020 -3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.088 -9.790 -4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.884 -11.609 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.468 -11.037 -2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.499 -9.821 -1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.877 -10.233 -1.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.627 -11.686 0.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.393 -12.580 -1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.964 -12.181 -0.713 1.00 0.00 H new ATOM 864 N GLY A 60 5.655 -5.165 -2.974 1.00 0.00 N ATOM 865 CA GLY A 60 6.544 -4.164 -2.414 1.00 0.00 C ATOM 866 C GLY A 60 5.978 -3.521 -1.163 1.00 0.00 C ATOM 867 O GLY A 60 5.243 -4.158 -0.407 1.00 0.00 O ATOM 0 H GLY A 60 4.665 -5.019 -2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.504 -4.625 -2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.735 -3.393 -3.161 1.00 0.00 H new ATOM 871 N LEU A 61 6.321 -2.257 -0.942 1.00 0.00 N ATOM 872 CA LEU A 61 5.844 -1.528 0.228 1.00 0.00 C ATOM 873 C LEU A 61 4.825 -0.466 -0.171 1.00 0.00 C ATOM 874 O LEU A 61 4.832 0.024 -1.301 1.00 0.00 O ATOM 875 CB LEU A 61 7.018 -0.876 0.960 1.00 0.00 C ATOM 876 CG LEU A 61 7.979 -1.829 1.671 1.00 0.00 C ATOM 877 CD1 LEU A 61 9.284 -1.122 2.003 1.00 0.00 C ATOM 878 CD2 LEU A 61 7.339 -2.390 2.932 1.00 0.00 C ATOM 0 H LEU A 61 6.928 -1.715 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 61 5.357 -2.239 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.588 -0.288 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.619 -0.179 1.696 1.00 0.00 H new ATOM 0 HG LEU A 61 8.200 -2.659 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.955 -1.816 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.751 -0.770 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.082 -0.272 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.038 -3.066 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.088 -1.572 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.432 -2.934 2.669 1.00 0.00 H new ATOM 890 N VAL A 62 3.949 -0.112 0.765 1.00 0.00 N ATOM 891 CA VAL A 62 2.926 0.895 0.512 1.00 0.00 C ATOM 892 C VAL A 62 2.555 1.636 1.792 1.00 0.00 C ATOM 893 O VAL A 62 2.236 1.033 2.817 1.00 0.00 O ATOM 894 CB VAL A 62 1.655 0.265 -0.089 1.00 0.00 C ATOM 895 CG1 VAL A 62 1.829 0.034 -1.582 1.00 0.00 C ATOM 896 CG2 VAL A 62 1.316 -1.035 0.625 1.00 0.00 C ATOM 0 H VAL A 62 3.928 -0.508 1.705 1.00 0.00 H new ATOM 0 HA VAL A 62 3.347 1.601 -0.204 1.00 0.00 H new ATOM 0 HB VAL A 62 0.825 0.957 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.921 -0.412 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.020 0.986 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.670 -0.638 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.416 -1.466 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.144 -1.736 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.146 -0.835 1.683 1.00 0.00 H new ATOM 906 N PRO A 63 2.598 2.975 1.735 1.00 0.00 N ATOM 907 CA PRO A 63 2.269 3.828 2.881 1.00 0.00 C ATOM 908 C PRO A 63 0.784 3.792 3.222 1.00 0.00 C ATOM 909 O PRO A 63 -0.052 4.265 2.452 1.00 0.00 O ATOM 910 CB PRO A 63 2.677 5.226 2.411 1.00 0.00 C ATOM 911 CG PRO A 63 2.593 5.166 0.925 1.00 0.00 C ATOM 912 CD PRO A 63 2.970 3.760 0.546 1.00 0.00 C ATOM 0 HA PRO A 63 2.777 3.504 3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.012 5.989 2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.685 5.476 2.741 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.587 5.407 0.581 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.268 5.888 0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.432 3.425 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.034 3.675 0.325 1.00 0.00 H new ATOM 920 N SER A 64 0.461 3.228 4.382 1.00 0.00 N ATOM 921 CA SER A 64 -0.925 3.128 4.824 1.00 0.00 C ATOM 922 C SER A 64 -1.605 4.493 4.791 1.00 0.00 C ATOM 923 O SER A 64 -2.799 4.597 4.513 1.00 0.00 O ATOM 924 CB SER A 64 -0.991 2.547 6.238 1.00 0.00 C ATOM 925 OG SER A 64 -2.329 2.474 6.697 1.00 0.00 O ATOM 0 H SER A 64 1.140 2.833 5.032 1.00 0.00 H new ATOM 0 HA SER A 64 -1.452 2.462 4.140 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.545 1.552 6.247 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.404 3.166 6.917 1.00 0.00 H new ATOM 0 HG SER A 64 -2.344 2.098 7.602 1.00 0.00 H new ATOM 931 N ASN A 65 -0.836 5.538 5.078 1.00 0.00 N ATOM 932 CA ASN A 65 -1.364 6.898 5.082 1.00 0.00 C ATOM 933 C ASN A 65 -1.984 7.245 3.732 1.00 0.00 C ATOM 934 O ASN A 65 -2.796 8.165 3.628 1.00 0.00 O ATOM 935 CB ASN A 65 -0.254 7.897 5.418 1.00 0.00 C ATOM 936 CG ASN A 65 0.333 7.667 6.797 1.00 0.00 C ATOM 937 OD1 ASN A 65 0.499 6.527 7.231 1.00 0.00 O ATOM 938 ND2 ASN A 65 0.650 8.752 7.493 1.00 0.00 N ATOM 0 H ASN A 65 0.155 5.470 5.311 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.141 6.957 5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.537 7.821 4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.651 8.910 5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.049 8.660 8.427 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.495 9.678 7.093 1.00 0.00 H new ATOM 945 N PHE A 66 -1.597 6.501 2.701 1.00 0.00 N ATOM 946 CA PHE A 66 -2.115 6.730 1.357 1.00 0.00 C ATOM 947 C PHE A 66 -3.177 5.694 1.000 1.00 0.00 C ATOM 948 O PHE A 66 -3.875 5.826 -0.006 1.00 0.00 O ATOM 949 CB PHE A 66 -0.977 6.684 0.334 1.00 0.00 C ATOM 950 CG PHE A 66 -0.088 7.894 0.372 1.00 0.00 C ATOM 951 CD1 PHE A 66 0.736 8.131 1.461 1.00 0.00 C ATOM 952 CD2 PHE A 66 -0.076 8.794 -0.681 1.00 0.00 C ATOM 953 CE1 PHE A 66 1.555 9.243 1.499 1.00 0.00 C ATOM 954 CE2 PHE A 66 0.742 9.908 -0.648 1.00 0.00 C ATOM 955 CZ PHE A 66 1.558 10.133 0.443 1.00 0.00 C ATOM 0 H PHE A 66 -0.927 5.735 2.770 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.574 7.718 1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.374 5.794 0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.401 6.586 -0.665 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.738 7.438 2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.712 8.624 -1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.192 9.416 2.354 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.743 10.602 -1.475 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.197 11.003 0.470 1.00 0.00 H new ATOM 965 N LEU A 67 -3.292 4.664 1.830 1.00 0.00 N ATOM 966 CA LEU A 67 -4.269 3.604 1.603 1.00 0.00 C ATOM 967 C LEU A 67 -5.439 3.724 2.573 1.00 0.00 C ATOM 968 O LEU A 67 -5.356 4.435 3.574 1.00 0.00 O ATOM 969 CB LEU A 67 -3.607 2.233 1.752 1.00 0.00 C ATOM 970 CG LEU A 67 -2.228 2.080 1.109 1.00 0.00 C ATOM 971 CD1 LEU A 67 -1.597 0.754 1.507 1.00 0.00 C ATOM 972 CD2 LEU A 67 -2.331 2.189 -0.406 1.00 0.00 C ATOM 0 H LEU A 67 -2.721 4.540 2.666 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.651 3.708 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.517 2.009 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.271 1.483 1.323 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.589 2.886 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.616 0.663 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.488 0.714 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.234 -0.066 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.340 2.078 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.986 1.404 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.740 3.163 -0.674 1.00 0.00 H new ATOM 984 N GLU A 68 -6.527 3.023 2.270 1.00 0.00 N ATOM 985 CA GLU A 68 -7.714 3.052 3.117 1.00 0.00 C ATOM 986 C GLU A 68 -8.451 1.717 3.065 1.00 0.00 C ATOM 987 O GLU A 68 -8.932 1.303 2.011 1.00 0.00 O ATOM 988 CB GLU A 68 -8.650 4.181 2.684 1.00 0.00 C ATOM 989 CG GLU A 68 -9.923 4.268 3.509 1.00 0.00 C ATOM 990 CD GLU A 68 -11.001 5.093 2.835 1.00 0.00 C ATOM 991 OE1 GLU A 68 -11.516 4.652 1.786 1.00 0.00 O ATOM 992 OE2 GLU A 68 -11.330 6.180 3.355 1.00 0.00 O ATOM 0 H GLU A 68 -6.611 2.429 1.445 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.393 3.231 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.117 5.129 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.915 4.040 1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.302 3.263 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.692 4.704 4.481 1.00 0.00 H new ATOM 999 N GLU A 69 -8.536 1.049 4.212 1.00 0.00 N ATOM 1000 CA GLU A 69 -9.213 -0.240 4.296 1.00 0.00 C ATOM 1001 C GLU A 69 -10.537 -0.209 3.537 1.00 0.00 C ATOM 1002 O GLU A 69 -11.411 0.609 3.823 1.00 0.00 O ATOM 1003 CB GLU A 69 -9.460 -0.616 5.758 1.00 0.00 C ATOM 1004 CG GLU A 69 -10.402 -1.796 5.932 1.00 0.00 C ATOM 1005 CD GLU A 69 -10.752 -2.054 7.385 1.00 0.00 C ATOM 1006 OE1 GLU A 69 -9.944 -1.688 8.264 1.00 0.00 O ATOM 1007 OE2 GLU A 69 -11.834 -2.622 7.642 1.00 0.00 O ATOM 0 H GLU A 69 -8.145 1.379 5.094 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.569 -0.991 3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.506 -0.851 6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.871 0.247 6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.317 -1.612 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.942 -2.689 5.509 1.00 0.00 H new ATOM 1014 N VAL A 70 -10.676 -1.107 2.566 1.00 0.00 N ATOM 1015 CA VAL A 70 -11.892 -1.184 1.765 1.00 0.00 C ATOM 1016 C VAL A 70 -12.973 -1.984 2.483 1.00 0.00 C ATOM 1017 O VAL A 70 -12.724 -3.088 2.968 1.00 0.00 O ATOM 1018 CB VAL A 70 -11.620 -1.827 0.392 1.00 0.00 C ATOM 1019 CG1 VAL A 70 -12.923 -2.049 -0.361 1.00 0.00 C ATOM 1020 CG2 VAL A 70 -10.666 -0.964 -0.419 1.00 0.00 C ATOM 0 H VAL A 70 -9.962 -1.791 2.315 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.239 -0.161 1.617 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.150 -2.798 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.711 -2.504 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.569 -2.710 0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.424 -1.093 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.484 -1.433 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.106 0.022 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.723 -0.862 0.117 1.00 0.00 H new ATOM 1030 N SER A 71 -14.175 -1.420 2.548 1.00 0.00 N ATOM 1031 CA SER A 71 -15.295 -2.080 3.210 1.00 0.00 C ATOM 1032 C SER A 71 -16.621 -1.463 2.777 1.00 0.00 C ATOM 1033 O SER A 71 -16.675 -0.306 2.361 1.00 0.00 O ATOM 1034 CB SER A 71 -15.145 -1.982 4.729 1.00 0.00 C ATOM 1035 OG SER A 71 -15.851 -3.025 5.379 1.00 0.00 O ATOM 0 H SER A 71 -14.398 -0.508 2.150 1.00 0.00 H new ATOM 0 HA SER A 71 -15.291 -3.130 2.919 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.090 -2.031 4.997 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.517 -1.017 5.073 1.00 0.00 H new ATOM 0 HG SER A 71 -15.498 -3.144 6.285 1.00 0.00 H new ATOM 1041 N GLY A 72 -17.692 -2.245 2.879 1.00 0.00 N ATOM 1042 CA GLY A 72 -19.004 -1.760 2.495 1.00 0.00 C ATOM 1043 C GLY A 72 -19.999 -1.812 3.638 1.00 0.00 C ATOM 1044 O GLY A 72 -19.651 -1.608 4.801 1.00 0.00 O ATOM 0 H GLY A 72 -17.674 -3.206 3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -18.918 -0.734 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -19.379 -2.356 1.663 1.00 0.00 H new ATOM 1048 N PRO A 73 -21.269 -2.089 3.309 1.00 0.00 N ATOM 1049 CA PRO A 73 -22.344 -2.172 4.303 1.00 0.00 C ATOM 1050 C PRO A 73 -22.207 -3.395 5.204 1.00 0.00 C ATOM 1051 O PRO A 73 -22.659 -3.388 6.349 1.00 0.00 O ATOM 1052 CB PRO A 73 -23.610 -2.277 3.449 1.00 0.00 C ATOM 1053 CG PRO A 73 -23.149 -2.863 2.159 1.00 0.00 C ATOM 1054 CD PRO A 73 -21.755 -2.344 1.943 1.00 0.00 C ATOM 0 HA PRO A 73 -22.340 -1.318 4.980 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -24.358 -2.910 3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -24.068 -1.300 3.299 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -23.158 -3.952 2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -23.806 -2.569 1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -21.131 -3.072 1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.753 -1.436 1.340 1.00 0.00 H new ATOM 1062 N SER A 74 -21.580 -4.443 4.680 1.00 0.00 N ATOM 1063 CA SER A 74 -21.387 -5.675 5.436 1.00 0.00 C ATOM 1064 C SER A 74 -21.068 -5.371 6.897 1.00 0.00 C ATOM 1065 O SER A 74 -21.874 -5.638 7.788 1.00 0.00 O ATOM 1066 CB SER A 74 -20.260 -6.506 4.819 1.00 0.00 C ATOM 1067 OG SER A 74 -20.050 -7.702 5.549 1.00 0.00 O ATOM 0 H SER A 74 -21.197 -4.464 3.735 1.00 0.00 H new ATOM 0 HA SER A 74 -22.314 -6.246 5.395 1.00 0.00 H new ATOM 0 HB2 SER A 74 -20.505 -6.746 3.784 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.340 -5.921 4.801 1.00 0.00 H new ATOM 0 HG SER A 74 -19.326 -8.216 5.134 1.00 0.00 H new ATOM 1073 N SER A 75 -19.887 -4.810 7.134 1.00 0.00 N ATOM 1074 CA SER A 75 -19.458 -4.472 8.487 1.00 0.00 C ATOM 1075 C SER A 75 -20.190 -3.234 8.995 1.00 0.00 C ATOM 1076 O SER A 75 -20.748 -3.236 10.092 1.00 0.00 O ATOM 1077 CB SER A 75 -17.947 -4.236 8.522 1.00 0.00 C ATOM 1078 OG SER A 75 -17.611 -2.996 7.924 1.00 0.00 O ATOM 0 H SER A 75 -19.210 -4.580 6.407 1.00 0.00 H new ATOM 0 HA SER A 75 -19.702 -5.310 9.139 1.00 0.00 H new ATOM 0 HB2 SER A 75 -17.597 -4.252 9.554 1.00 0.00 H new ATOM 0 HB3 SER A 75 -17.437 -5.045 8.000 1.00 0.00 H new ATOM 0 HG SER A 75 -16.640 -2.868 7.960 1.00 0.00 H new ATOM 1084 N GLY A 76 -20.183 -2.177 8.189 1.00 0.00 N ATOM 1085 CA GLY A 76 -20.849 -0.946 8.573 1.00 0.00 C ATOM 1086 C GLY A 76 -21.278 -0.121 7.376 1.00 0.00 C ATOM 1087 O GLY A 76 -20.440 0.387 6.631 1.00 0.00 O ATOM 0 H GLY A 76 -19.728 -2.151 7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -21.723 -1.183 9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -20.180 -0.354 9.197 1.00 0.00 H new TER 1091 GLY A 76