USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 340 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 711 SER OG : rot 24:sc= 0.378 USER MOD Single : A 712 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0139) USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD Single : A 719 SER OG : rot 180:sc= 0.0393 USER MOD Single : A 721 TYR OH : rot 180:sc= 0 USER MOD Single : A 722 SER OG : rot 180:sc= 0 USER MOD Single : A 724 TYR OH : rot 180:sc= 0 USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 730 ASN : amide:sc= 0.0836 K(o=0.084,f=-2.6!) USER MOD Single : A 731 THR OG1 : rot 180:sc= 0 USER MOD Single : A 732 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 735 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.27) USER MOD Single : A 743 GLN : amide:sc= -0.0336 X(o=-0.034,f=-0.025) USER MOD Single : A 746 MET CE :methyl 157:sc= -3.75 (180deg=-5.15!) USER MOD Single : A 750 ASN : amide:sc= -1.03 K(o=-1,f=-2.1!) USER MOD Single : A 753 ASN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 3.266 48.490 -14.880 1.00 0.00 N ATOM 2 CA SER A 711 1.813 48.698 -14.639 1.00 0.00 C ATOM 3 C SER A 711 0.991 47.541 -15.199 1.00 0.00 C ATOM 4 O SER A 711 -0.091 47.746 -15.750 1.00 0.00 O ATOM 5 CB SER A 711 1.394 50.012 -15.299 1.00 0.00 C ATOM 6 OG SER A 711 2.346 51.034 -15.054 1.00 0.00 O ATOM 0 HA SER A 711 1.630 48.741 -13.565 1.00 0.00 H new ATOM 0 HB2 SER A 711 1.284 49.864 -16.373 1.00 0.00 H new ATOM 0 HB3 SER A 711 0.420 50.319 -14.918 1.00 0.00 H new ATOM 0 HG SER A 711 3.219 50.630 -14.868 1.00 0.00 H new ATOM 14 N LYS A 712 1.511 46.328 -15.054 1.00 0.00 N ATOM 15 CA LYS A 712 0.825 45.139 -15.546 1.00 0.00 C ATOM 16 C LYS A 712 1.211 43.910 -14.728 1.00 0.00 C ATOM 17 O LYS A 712 2.053 43.113 -15.146 1.00 0.00 O ATOM 18 CB LYS A 712 1.154 44.907 -17.022 1.00 0.00 C ATOM 19 CG LYS A 712 0.436 45.861 -17.962 1.00 0.00 C ATOM 20 CD LYS A 712 0.343 45.293 -19.368 1.00 0.00 C ATOM 21 CE LYS A 712 -0.633 46.083 -20.224 1.00 0.00 C ATOM 22 NZ LYS A 712 -0.202 47.498 -20.400 1.00 0.00 N ATOM 0 H LYS A 712 2.405 46.142 -14.600 1.00 0.00 H new ATOM 0 HA LYS A 712 -0.248 45.301 -15.442 1.00 0.00 H new ATOM 0 HB2 LYS A 712 2.230 45.009 -17.166 1.00 0.00 H new ATOM 0 HB3 LYS A 712 0.892 43.883 -17.287 1.00 0.00 H new ATOM 0 HG2 LYS A 712 -0.566 46.062 -17.583 1.00 0.00 H new ATOM 0 HG3 LYS A 712 0.964 46.814 -17.988 1.00 0.00 H new ATOM 0 HD2 LYS A 712 1.329 45.306 -19.833 1.00 0.00 H new ATOM 0 HD3 LYS A 712 0.026 44.251 -19.321 1.00 0.00 H new ATOM 0 HE2 LYS A 712 -0.725 45.608 -21.201 1.00 0.00 H new ATOM 0 HE3 LYS A 712 -1.621 46.059 -19.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 -0.868 47.988 -21.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 -0.187 47.974 -19.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 0.751 47.521 -20.817 1.00 0.00 H new ATOM 36 N LEU A 713 0.591 43.763 -13.562 1.00 0.00 N ATOM 37 CA LEU A 713 0.871 42.631 -12.685 1.00 0.00 C ATOM 38 C LEU A 713 -0.337 42.308 -11.813 1.00 0.00 C ATOM 39 O LEU A 713 -0.598 42.988 -10.819 1.00 0.00 O ATOM 40 CB LEU A 713 2.085 42.928 -11.805 1.00 0.00 C ATOM 41 CG LEU A 713 3.438 42.579 -12.429 1.00 0.00 C ATOM 42 CD1 LEU A 713 4.573 43.170 -11.607 1.00 0.00 C ATOM 43 CD2 LEU A 713 3.595 41.071 -12.552 1.00 0.00 C ATOM 0 H LEU A 713 -0.108 44.413 -13.202 1.00 0.00 H new ATOM 0 HA LEU A 713 1.088 41.765 -13.310 1.00 0.00 H new ATOM 0 HB2 LEU A 713 2.081 43.988 -11.553 1.00 0.00 H new ATOM 0 HB3 LEU A 713 1.980 42.378 -10.870 1.00 0.00 H new ATOM 0 HG LEU A 713 3.478 43.011 -13.429 1.00 0.00 H new ATOM 0 HD11 LEU A 713 5.527 42.912 -12.066 1.00 0.00 H new ATOM 0 HD12 LEU A 713 4.470 44.254 -11.571 1.00 0.00 H new ATOM 0 HD13 LEU A 713 4.537 42.768 -10.594 1.00 0.00 H new ATOM 0 HD21 LEU A 713 4.563 40.841 -12.998 1.00 0.00 H new ATOM 0 HD22 LEU A 713 3.534 40.617 -11.563 1.00 0.00 H new ATOM 0 HD23 LEU A 713 2.801 40.673 -13.184 1.00 0.00 H new ATOM 55 N GLU A 714 -1.073 41.266 -12.190 1.00 0.00 N ATOM 56 CA GLU A 714 -2.254 40.854 -11.441 1.00 0.00 C ATOM 57 C GLU A 714 -2.357 39.333 -11.381 1.00 0.00 C ATOM 58 O GLU A 714 -2.211 38.651 -12.397 1.00 0.00 O ATOM 59 CB GLU A 714 -3.517 41.437 -12.077 1.00 0.00 C ATOM 60 CG GLU A 714 -3.828 42.854 -11.621 1.00 0.00 C ATOM 61 CD GLU A 714 -3.438 43.897 -12.650 1.00 0.00 C ATOM 62 OE1 GLU A 714 -2.260 43.908 -13.066 1.00 0.00 O ATOM 63 OE2 GLU A 714 -4.309 44.701 -13.041 1.00 0.00 O ATOM 0 H GLU A 714 -0.872 40.693 -13.009 1.00 0.00 H new ATOM 0 HA GLU A 714 -2.159 41.235 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 714 -3.405 41.429 -13.161 1.00 0.00 H new ATOM 0 HB3 GLU A 714 -4.364 40.793 -11.839 1.00 0.00 H new ATOM 0 HG2 GLU A 714 -4.894 42.938 -11.410 1.00 0.00 H new ATOM 0 HG3 GLU A 714 -3.302 43.055 -10.688 1.00 0.00 H new ATOM 70 N GLY A 715 -2.607 38.808 -10.188 1.00 0.00 N ATOM 71 CA GLY A 715 -2.725 37.371 -10.020 1.00 0.00 C ATOM 72 C GLY A 715 -3.550 36.995 -8.805 1.00 0.00 C ATOM 73 O GLY A 715 -3.237 37.397 -7.685 1.00 0.00 O ATOM 0 H GLY A 715 -2.730 39.351 -9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -3.180 36.940 -10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -1.730 36.936 -9.928 1.00 0.00 H new ATOM 77 N SER A 716 -4.609 36.223 -9.027 1.00 0.00 N ATOM 78 CA SER A 716 -5.482 35.791 -7.943 1.00 0.00 C ATOM 79 C SER A 716 -5.924 34.345 -8.140 1.00 0.00 C ATOM 80 O SER A 716 -6.135 33.898 -9.268 1.00 0.00 O ATOM 81 CB SER A 716 -6.708 36.702 -7.854 1.00 0.00 C ATOM 82 OG SER A 716 -6.342 38.013 -7.457 1.00 0.00 O ATOM 0 H SER A 716 -4.883 35.884 -9.949 1.00 0.00 H new ATOM 0 HA SER A 716 -4.919 35.856 -7.012 1.00 0.00 H new ATOM 0 HB2 SER A 716 -7.209 36.738 -8.821 1.00 0.00 H new ATOM 0 HB3 SER A 716 -7.421 36.289 -7.141 1.00 0.00 H new ATOM 0 HG SER A 716 -7.143 38.576 -7.409 1.00 0.00 H new ATOM 88 N GLU A 717 -6.061 33.617 -7.037 1.00 0.00 N ATOM 89 CA GLU A 717 -6.478 32.220 -7.089 1.00 0.00 C ATOM 90 C GLU A 717 -7.932 32.069 -6.657 1.00 0.00 C ATOM 91 O GLU A 717 -8.258 32.219 -5.479 1.00 0.00 O ATOM 92 CB GLU A 717 -5.576 31.364 -6.198 1.00 0.00 C ATOM 93 CG GLU A 717 -5.340 29.964 -6.739 1.00 0.00 C ATOM 94 CD GLU A 717 -4.693 29.046 -5.719 1.00 0.00 C ATOM 95 OE1 GLU A 717 -3.526 29.297 -5.352 1.00 0.00 O ATOM 96 OE2 GLU A 717 -5.353 28.078 -5.289 1.00 0.00 O ATOM 0 H GLU A 717 -5.889 33.971 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 717 -6.388 31.878 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 717 -4.615 31.865 -6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 717 -6.023 31.291 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 717 -6.291 29.536 -7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 717 -4.706 30.022 -7.624 1.00 0.00 H new ATOM 103 N ASP A 718 -8.802 31.772 -7.617 1.00 0.00 N ATOM 104 CA ASP A 718 -10.222 31.602 -7.335 1.00 0.00 C ATOM 105 C ASP A 718 -10.906 30.811 -8.445 1.00 0.00 C ATOM 106 O ASP A 718 -10.836 31.181 -9.617 1.00 0.00 O ATOM 107 CB ASP A 718 -10.899 32.962 -7.171 1.00 0.00 C ATOM 108 CG ASP A 718 -10.858 33.461 -5.740 1.00 0.00 C ATOM 109 OD1 ASP A 718 -11.699 33.013 -4.930 1.00 0.00 O ATOM 110 OD2 ASP A 718 -9.986 34.298 -5.426 1.00 0.00 O ATOM 0 H ASP A 718 -8.548 31.644 -8.597 1.00 0.00 H new ATOM 0 HA ASP A 718 -10.316 31.044 -6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 718 -10.410 33.688 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 718 -11.936 32.890 -7.498 1.00 0.00 H new ATOM 115 N SER A 719 -11.567 29.721 -8.068 1.00 0.00 N ATOM 116 CA SER A 719 -12.264 28.879 -9.034 1.00 0.00 C ATOM 117 C SER A 719 -13.477 29.602 -9.611 1.00 0.00 C ATOM 118 O SER A 719 -14.598 29.438 -9.130 1.00 0.00 O ATOM 119 CB SER A 719 -12.703 27.569 -8.376 1.00 0.00 C ATOM 120 OG SER A 719 -11.908 27.278 -7.240 1.00 0.00 O ATOM 0 H SER A 719 -11.635 29.400 -7.102 1.00 0.00 H new ATOM 0 HA SER A 719 -11.575 28.656 -9.848 1.00 0.00 H new ATOM 0 HB2 SER A 719 -13.750 27.639 -8.083 1.00 0.00 H new ATOM 0 HB3 SER A 719 -12.627 26.754 -9.095 1.00 0.00 H new ATOM 0 HG SER A 719 -12.209 26.437 -6.836 1.00 0.00 H new ATOM 126 N LEU A 720 -13.245 30.403 -10.646 1.00 0.00 N ATOM 127 CA LEU A 720 -14.317 31.151 -11.290 1.00 0.00 C ATOM 128 C LEU A 720 -15.133 30.250 -12.212 1.00 0.00 C ATOM 129 O LEU A 720 -16.333 30.066 -12.016 1.00 0.00 O ATOM 130 CB LEU A 720 -13.743 32.326 -12.083 1.00 0.00 C ATOM 131 CG LEU A 720 -14.622 33.578 -12.114 1.00 0.00 C ATOM 132 CD1 LEU A 720 -15.986 33.260 -12.707 1.00 0.00 C ATOM 133 CD2 LEU A 720 -14.770 34.158 -10.715 1.00 0.00 C ATOM 0 H LEU A 720 -12.323 30.550 -11.056 1.00 0.00 H new ATOM 0 HA LEU A 720 -14.976 31.535 -10.511 1.00 0.00 H new ATOM 0 HB2 LEU A 720 -12.774 32.591 -11.660 1.00 0.00 H new ATOM 0 HB3 LEU A 720 -13.565 32.000 -13.108 1.00 0.00 H new ATOM 0 HG LEU A 720 -14.139 34.322 -12.747 1.00 0.00 H new ATOM 0 HD11 LEU A 720 -16.596 34.163 -12.720 1.00 0.00 H new ATOM 0 HD12 LEU A 720 -15.863 32.890 -13.725 1.00 0.00 H new ATOM 0 HD13 LEU A 720 -16.478 32.499 -12.101 1.00 0.00 H new ATOM 0 HD21 LEU A 720 -15.398 35.048 -10.755 1.00 0.00 H new ATOM 0 HD22 LEU A 720 -15.231 33.418 -10.061 1.00 0.00 H new ATOM 0 HD23 LEU A 720 -13.787 34.424 -10.326 1.00 0.00 H new ATOM 145 N TYR A 721 -14.471 29.691 -13.221 1.00 0.00 N ATOM 146 CA TYR A 721 -15.134 28.809 -14.174 1.00 0.00 C ATOM 147 C TYR A 721 -14.138 27.839 -14.801 1.00 0.00 C ATOM 148 O TYR A 721 -13.553 28.123 -15.846 1.00 0.00 O ATOM 149 CB TYR A 721 -15.821 29.630 -15.268 1.00 0.00 C ATOM 150 CG TYR A 721 -17.137 29.043 -15.727 1.00 0.00 C ATOM 151 CD1 TYR A 721 -18.101 28.644 -14.810 1.00 0.00 C ATOM 152 CD2 TYR A 721 -17.415 28.890 -17.080 1.00 0.00 C ATOM 153 CE1 TYR A 721 -19.304 28.109 -15.227 1.00 0.00 C ATOM 154 CE2 TYR A 721 -18.617 28.356 -17.504 1.00 0.00 C ATOM 155 CZ TYR A 721 -19.557 27.966 -16.575 1.00 0.00 C ATOM 156 OH TYR A 721 -20.754 27.433 -16.993 1.00 0.00 O ATOM 0 H TYR A 721 -13.477 29.833 -13.399 1.00 0.00 H new ATOM 0 HA TYR A 721 -15.886 28.232 -13.635 1.00 0.00 H new ATOM 0 HB2 TYR A 721 -15.993 30.641 -14.899 1.00 0.00 H new ATOM 0 HB3 TYR A 721 -15.151 29.713 -16.124 1.00 0.00 H new ATOM 0 HD1 TYR A 721 -17.907 28.754 -13.753 1.00 0.00 H new ATOM 0 HD2 TYR A 721 -16.680 29.193 -17.811 1.00 0.00 H new ATOM 0 HE1 TYR A 721 -20.043 27.804 -14.501 1.00 0.00 H new ATOM 0 HE2 TYR A 721 -18.819 28.245 -18.559 1.00 0.00 H new ATOM 0 HH TYR A 721 -20.774 27.402 -17.972 1.00 0.00 H new ATOM 166 N SER A 722 -13.951 26.693 -14.155 1.00 0.00 N ATOM 167 CA SER A 722 -13.024 25.677 -14.648 1.00 0.00 C ATOM 168 C SER A 722 -13.368 25.269 -16.078 1.00 0.00 C ATOM 169 O SER A 722 -12.501 24.824 -16.829 1.00 0.00 O ATOM 170 CB SER A 722 -13.050 24.450 -13.736 1.00 0.00 C ATOM 171 OG SER A 722 -12.796 24.809 -12.389 1.00 0.00 O ATOM 0 H SER A 722 -14.428 26.443 -13.289 1.00 0.00 H new ATOM 0 HA SER A 722 -12.022 26.105 -14.645 1.00 0.00 H new ATOM 0 HB2 SER A 722 -14.021 23.960 -13.808 1.00 0.00 H new ATOM 0 HB3 SER A 722 -12.304 23.729 -14.070 1.00 0.00 H new ATOM 0 HG SER A 722 -12.820 24.007 -11.827 1.00 0.00 H new ATOM 177 N ASP A 723 -14.634 25.422 -16.451 1.00 0.00 N ATOM 178 CA ASP A 723 -15.082 25.069 -17.792 1.00 0.00 C ATOM 179 C ASP A 723 -14.373 25.920 -18.840 1.00 0.00 C ATOM 180 O ASP A 723 -13.720 25.399 -19.743 1.00 0.00 O ATOM 181 CB ASP A 723 -16.596 25.249 -17.912 1.00 0.00 C ATOM 182 CG ASP A 723 -17.361 24.016 -17.469 1.00 0.00 C ATOM 183 OD1 ASP A 723 -17.518 23.089 -18.288 1.00 0.00 O ATOM 184 OD2 ASP A 723 -17.803 23.981 -16.302 1.00 0.00 O ATOM 0 H ASP A 723 -15.367 25.788 -15.844 1.00 0.00 H new ATOM 0 HA ASP A 723 -14.834 24.022 -17.968 1.00 0.00 H new ATOM 0 HB2 ASP A 723 -16.907 26.102 -17.309 1.00 0.00 H new ATOM 0 HB3 ASP A 723 -16.851 25.480 -18.946 1.00 0.00 H new ATOM 189 N TYR A 724 -14.505 27.236 -18.711 1.00 0.00 N ATOM 190 CA TYR A 724 -13.878 28.167 -19.639 1.00 0.00 C ATOM 191 C TYR A 724 -12.357 28.137 -19.490 1.00 0.00 C ATOM 192 O TYR A 724 -11.624 28.352 -20.455 1.00 0.00 O ATOM 193 CB TYR A 724 -14.413 29.584 -19.401 1.00 0.00 C ATOM 194 CG TYR A 724 -13.442 30.682 -19.775 1.00 0.00 C ATOM 195 CD1 TYR A 724 -12.439 31.071 -18.899 1.00 0.00 C ATOM 196 CD2 TYR A 724 -13.523 31.319 -21.006 1.00 0.00 C ATOM 197 CE1 TYR A 724 -11.545 32.067 -19.235 1.00 0.00 C ATOM 198 CE2 TYR A 724 -12.633 32.317 -21.351 1.00 0.00 C ATOM 199 CZ TYR A 724 -11.645 32.687 -20.463 1.00 0.00 C ATOM 200 OH TYR A 724 -10.755 33.680 -20.803 1.00 0.00 O ATOM 0 H TYR A 724 -15.044 27.682 -17.969 1.00 0.00 H new ATOM 0 HA TYR A 724 -14.125 27.864 -20.656 1.00 0.00 H new ATOM 0 HB2 TYR A 724 -15.331 29.715 -19.974 1.00 0.00 H new ATOM 0 HB3 TYR A 724 -14.676 29.689 -18.348 1.00 0.00 H new ATOM 0 HD1 TYR A 724 -12.356 30.586 -17.938 1.00 0.00 H new ATOM 0 HD2 TYR A 724 -14.294 31.030 -21.705 1.00 0.00 H new ATOM 0 HE1 TYR A 724 -10.771 32.359 -18.540 1.00 0.00 H new ATOM 0 HE2 TYR A 724 -12.710 32.805 -22.311 1.00 0.00 H new ATOM 0 HH TYR A 724 -10.963 34.012 -21.701 1.00 0.00 H new ATOM 210 N VAL A 725 -11.894 27.875 -18.274 1.00 0.00 N ATOM 211 CA VAL A 725 -10.464 27.821 -17.995 1.00 0.00 C ATOM 212 C VAL A 725 -9.852 26.517 -18.504 1.00 0.00 C ATOM 213 O VAL A 725 -8.695 26.487 -18.922 1.00 0.00 O ATOM 214 CB VAL A 725 -10.190 27.967 -16.483 1.00 0.00 C ATOM 215 CG1 VAL A 725 -8.718 27.744 -16.165 1.00 0.00 C ATOM 216 CG2 VAL A 725 -10.648 29.333 -15.993 1.00 0.00 C ATOM 0 H VAL A 725 -12.488 27.696 -17.465 1.00 0.00 H new ATOM 0 HA VAL A 725 -9.999 28.655 -18.521 1.00 0.00 H new ATOM 0 HB VAL A 725 -10.760 27.200 -15.959 1.00 0.00 H new ATOM 0 HG11 VAL A 725 -8.557 27.854 -15.093 1.00 0.00 H new ATOM 0 HG12 VAL A 725 -8.427 26.740 -16.475 1.00 0.00 H new ATOM 0 HG13 VAL A 725 -8.115 28.478 -16.699 1.00 0.00 H new ATOM 0 HG21 VAL A 725 -10.449 29.422 -14.925 1.00 0.00 H new ATOM 0 HG22 VAL A 725 -10.107 30.112 -16.529 1.00 0.00 H new ATOM 0 HG23 VAL A 725 -11.717 29.444 -16.173 1.00 0.00 H new ATOM 226 N ASP A 726 -10.635 25.447 -18.468 1.00 0.00 N ATOM 227 CA ASP A 726 -10.168 24.144 -18.928 1.00 0.00 C ATOM 228 C ASP A 726 -9.974 24.140 -20.442 1.00 0.00 C ATOM 229 O ASP A 726 -9.164 23.381 -20.972 1.00 0.00 O ATOM 230 CB ASP A 726 -11.160 23.051 -18.525 1.00 0.00 C ATOM 231 CG ASP A 726 -10.696 21.667 -18.937 1.00 0.00 C ATOM 232 OD1 ASP A 726 -10.775 21.348 -20.142 1.00 0.00 O ATOM 233 OD2 ASP A 726 -10.253 20.902 -18.054 1.00 0.00 O ATOM 0 H ASP A 726 -11.596 25.455 -18.126 1.00 0.00 H new ATOM 0 HA ASP A 726 -9.206 23.942 -18.456 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -11.305 23.076 -17.445 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -12.128 23.257 -18.981 1.00 0.00 H new ATOM 238 N VAL A 727 -10.725 24.993 -21.133 1.00 0.00 N ATOM 239 CA VAL A 727 -10.634 25.086 -22.585 1.00 0.00 C ATOM 240 C VAL A 727 -9.220 25.446 -23.027 1.00 0.00 C ATOM 241 O VAL A 727 -8.776 25.050 -24.103 1.00 0.00 O ATOM 242 CB VAL A 727 -11.617 26.134 -23.142 1.00 0.00 C ATOM 243 CG1 VAL A 727 -11.653 26.076 -24.662 1.00 0.00 C ATOM 244 CG2 VAL A 727 -13.005 25.928 -22.560 1.00 0.00 C ATOM 0 H VAL A 727 -11.402 25.628 -20.711 1.00 0.00 H new ATOM 0 HA VAL A 727 -10.895 24.105 -22.982 1.00 0.00 H new ATOM 0 HB VAL A 727 -11.270 27.124 -22.847 1.00 0.00 H new ATOM 0 HG11 VAL A 727 -12.352 26.823 -25.038 1.00 0.00 H new ATOM 0 HG12 VAL A 727 -10.658 26.279 -25.058 1.00 0.00 H new ATOM 0 HG13 VAL A 727 -11.975 25.085 -24.981 1.00 0.00 H new ATOM 0 HG21 VAL A 727 -13.684 26.678 -22.965 1.00 0.00 H new ATOM 0 HG22 VAL A 727 -13.365 24.933 -22.821 1.00 0.00 H new ATOM 0 HG23 VAL A 727 -12.963 26.025 -21.475 1.00 0.00 H new ATOM 254 N PHE A 728 -8.518 26.200 -22.188 1.00 0.00 N ATOM 255 CA PHE A 728 -7.153 26.615 -22.492 1.00 0.00 C ATOM 256 C PHE A 728 -6.150 25.569 -22.014 1.00 0.00 C ATOM 257 O PHE A 728 -5.110 25.363 -22.640 1.00 0.00 O ATOM 258 CB PHE A 728 -6.850 27.964 -21.840 1.00 0.00 C ATOM 259 CG PHE A 728 -7.666 29.096 -22.396 1.00 0.00 C ATOM 260 CD1 PHE A 728 -9.032 29.157 -22.174 1.00 0.00 C ATOM 261 CD2 PHE A 728 -7.065 30.099 -23.140 1.00 0.00 C ATOM 262 CE1 PHE A 728 -9.785 30.197 -22.686 1.00 0.00 C ATOM 263 CE2 PHE A 728 -7.813 31.142 -23.654 1.00 0.00 C ATOM 264 CZ PHE A 728 -9.175 31.191 -23.426 1.00 0.00 C ATOM 0 H PHE A 728 -8.871 26.536 -21.292 1.00 0.00 H new ATOM 0 HA PHE A 728 -7.061 26.715 -23.574 1.00 0.00 H new ATOM 0 HB2 PHE A 728 -7.031 27.889 -20.768 1.00 0.00 H new ATOM 0 HB3 PHE A 728 -5.792 28.192 -21.970 1.00 0.00 H new ATOM 0 HD1 PHE A 728 -9.514 28.383 -21.595 1.00 0.00 H new ATOM 0 HD2 PHE A 728 -6.001 30.066 -23.320 1.00 0.00 H new ATOM 0 HE1 PHE A 728 -10.850 30.232 -22.508 1.00 0.00 H new ATOM 0 HE2 PHE A 728 -7.333 31.917 -24.233 1.00 0.00 H new ATOM 0 HZ PHE A 728 -9.761 32.005 -23.826 1.00 0.00 H new ATOM 274 N TYR A 729 -6.469 24.913 -20.904 1.00 0.00 N ATOM 275 CA TYR A 729 -5.596 23.889 -20.343 1.00 0.00 C ATOM 276 C TYR A 729 -6.229 22.507 -20.465 1.00 0.00 C ATOM 277 O TYR A 729 -6.117 21.678 -19.562 1.00 0.00 O ATOM 278 CB TYR A 729 -5.294 24.196 -18.874 1.00 0.00 C ATOM 279 CG TYR A 729 -4.102 25.104 -18.678 1.00 0.00 C ATOM 280 CD1 TYR A 729 -2.811 24.648 -18.914 1.00 0.00 C ATOM 281 CD2 TYR A 729 -4.266 26.418 -18.258 1.00 0.00 C ATOM 282 CE1 TYR A 729 -1.718 25.476 -18.735 1.00 0.00 C ATOM 283 CE2 TYR A 729 -3.179 27.251 -18.078 1.00 0.00 C ATOM 284 CZ TYR A 729 -1.907 26.776 -18.318 1.00 0.00 C ATOM 285 OH TYR A 729 -0.821 27.602 -18.139 1.00 0.00 O ATOM 0 H TYR A 729 -7.326 25.072 -20.375 1.00 0.00 H new ATOM 0 HA TYR A 729 -4.664 23.893 -20.908 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -6.171 24.658 -18.421 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -5.118 23.260 -18.345 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -2.659 23.631 -19.243 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -5.260 26.795 -18.069 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -0.721 25.106 -18.921 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -3.325 28.270 -17.751 1.00 0.00 H new ATOM 0 HH TYR A 729 -1.127 28.485 -17.844 1.00 0.00 H new ATOM 295 N ASN A 730 -6.897 22.267 -21.590 1.00 0.00 N ATOM 296 CA ASN A 730 -7.549 20.984 -21.833 1.00 0.00 C ATOM 297 C ASN A 730 -6.537 19.844 -21.803 1.00 0.00 C ATOM 298 O ASN A 730 -5.401 19.997 -22.252 1.00 0.00 O ATOM 299 CB ASN A 730 -8.273 21.004 -23.179 1.00 0.00 C ATOM 300 CG ASN A 730 -7.327 21.240 -24.341 1.00 0.00 C ATOM 301 OD1 ASN A 730 -6.706 22.297 -24.446 1.00 0.00 O ATOM 302 ND2 ASN A 730 -7.216 20.254 -25.223 1.00 0.00 N ATOM 0 H ASN A 730 -7.001 22.943 -22.347 1.00 0.00 H new ATOM 0 HA ASN A 730 -8.277 20.819 -21.039 1.00 0.00 H new ATOM 0 HB2 ASN A 730 -8.792 20.056 -23.323 1.00 0.00 H new ATOM 0 HB3 ASN A 730 -9.033 21.785 -23.168 1.00 0.00 H new ATOM 0 HD21 ASN A 730 -6.597 20.356 -26.027 1.00 0.00 H new ATOM 0 HD22 ASN A 730 -7.750 19.394 -25.097 1.00 0.00 H new ATOM 309 N THR A 731 -6.957 18.700 -21.272 1.00 0.00 N ATOM 310 CA THR A 731 -6.087 17.533 -21.185 1.00 0.00 C ATOM 311 C THR A 731 -4.858 17.834 -20.335 1.00 0.00 C ATOM 312 O THR A 731 -3.977 18.590 -20.744 1.00 0.00 O ATOM 313 CB THR A 731 -5.659 17.084 -22.581 1.00 0.00 C ATOM 314 OG1 THR A 731 -6.752 17.133 -23.482 1.00 0.00 O ATOM 315 CG2 THR A 731 -5.102 15.678 -22.613 1.00 0.00 C ATOM 0 H THR A 731 -7.894 18.557 -20.896 1.00 0.00 H new ATOM 0 HA THR A 731 -6.647 16.728 -20.709 1.00 0.00 H new ATOM 0 HB THR A 731 -4.871 17.777 -22.877 1.00 0.00 H new ATOM 0 HG1 THR A 731 -6.457 16.843 -24.370 1.00 0.00 H new ATOM 0 HG21 THR A 731 -4.818 15.422 -23.634 1.00 0.00 H new ATOM 0 HG22 THR A 731 -4.226 15.619 -21.967 1.00 0.00 H new ATOM 0 HG23 THR A 731 -5.860 14.978 -22.262 1.00 0.00 H new ATOM 323 N LYS A 732 -4.803 17.235 -19.149 1.00 0.00 N ATOM 324 CA LYS A 732 -3.681 17.439 -18.241 1.00 0.00 C ATOM 325 C LYS A 732 -3.114 16.101 -17.767 1.00 0.00 C ATOM 326 O LYS A 732 -3.510 15.586 -16.722 1.00 0.00 O ATOM 327 CB LYS A 732 -4.117 18.276 -17.037 1.00 0.00 C ATOM 328 CG LYS A 732 -3.959 19.772 -17.248 1.00 0.00 C ATOM 329 CD LYS A 732 -3.902 20.519 -15.924 1.00 0.00 C ATOM 330 CE LYS A 732 -5.294 20.874 -15.426 1.00 0.00 C ATOM 331 NZ LYS A 732 -5.326 21.055 -13.948 1.00 0.00 N ATOM 0 H LYS A 732 -5.523 16.605 -18.795 1.00 0.00 H new ATOM 0 HA LYS A 732 -2.900 17.973 -18.782 1.00 0.00 H new ATOM 0 HB2 LYS A 732 -5.161 18.057 -16.812 1.00 0.00 H new ATOM 0 HB3 LYS A 732 -3.534 17.977 -16.166 1.00 0.00 H new ATOM 0 HG2 LYS A 732 -3.049 19.966 -17.816 1.00 0.00 H new ATOM 0 HG3 LYS A 732 -4.792 20.147 -17.843 1.00 0.00 H new ATOM 0 HD2 LYS A 732 -3.393 19.906 -15.180 1.00 0.00 H new ATOM 0 HD3 LYS A 732 -3.314 21.429 -16.043 1.00 0.00 H new ATOM 0 HE2 LYS A 732 -5.630 21.790 -15.911 1.00 0.00 H new ATOM 0 HE3 LYS A 732 -5.993 20.087 -15.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 -6.292 21.296 -13.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 -5.030 20.173 -13.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 -4.678 21.823 -13.678 1.00 0.00 H new ATOM 345 N PRO A 733 -2.175 15.523 -18.534 1.00 0.00 N ATOM 346 CA PRO A 733 -1.554 14.240 -18.189 1.00 0.00 C ATOM 347 C PRO A 733 -0.995 14.230 -16.770 1.00 0.00 C ATOM 348 O PRO A 733 -0.389 15.205 -16.324 1.00 0.00 O ATOM 349 CB PRO A 733 -0.422 14.103 -19.209 1.00 0.00 C ATOM 350 CG PRO A 733 -0.861 14.925 -20.373 1.00 0.00 C ATOM 351 CD PRO A 733 -1.645 16.071 -19.797 1.00 0.00 C ATOM 0 HA PRO A 733 -2.272 13.421 -18.219 1.00 0.00 H new ATOM 0 HB2 PRO A 733 0.523 14.464 -18.803 1.00 0.00 H new ATOM 0 HB3 PRO A 733 -0.269 13.062 -19.494 1.00 0.00 H new ATOM 0 HG2 PRO A 733 -0.004 15.285 -20.942 1.00 0.00 H new ATOM 0 HG3 PRO A 733 -1.474 14.338 -21.057 1.00 0.00 H new ATOM 0 HD2 PRO A 733 -1.014 16.942 -19.623 1.00 0.00 H new ATOM 0 HD3 PRO A 733 -2.446 16.386 -20.466 1.00 0.00 H new ATOM 359 N TYR A 734 -1.202 13.123 -16.065 1.00 0.00 N ATOM 360 CA TYR A 734 -0.718 12.987 -14.695 1.00 0.00 C ATOM 361 C TYR A 734 -0.820 11.540 -14.224 1.00 0.00 C ATOM 362 O TYR A 734 0.101 11.015 -13.598 1.00 0.00 O ATOM 363 CB TYR A 734 -1.513 13.898 -13.759 1.00 0.00 C ATOM 364 CG TYR A 734 -0.907 15.273 -13.590 1.00 0.00 C ATOM 365 CD1 TYR A 734 0.433 15.426 -13.259 1.00 0.00 C ATOM 366 CD2 TYR A 734 -1.674 16.417 -13.764 1.00 0.00 C ATOM 367 CE1 TYR A 734 0.990 16.680 -13.103 1.00 0.00 C ATOM 368 CE2 TYR A 734 -1.124 17.675 -13.612 1.00 0.00 C ATOM 369 CZ TYR A 734 0.209 17.801 -13.281 1.00 0.00 C ATOM 370 OH TYR A 734 0.761 19.053 -13.129 1.00 0.00 O ATOM 0 H TYR A 734 -1.701 12.307 -16.419 1.00 0.00 H new ATOM 0 HA TYR A 734 0.331 13.284 -14.675 1.00 0.00 H new ATOM 0 HB2 TYR A 734 -2.528 14.003 -14.143 1.00 0.00 H new ATOM 0 HB3 TYR A 734 -1.590 13.422 -12.782 1.00 0.00 H new ATOM 0 HD1 TYR A 734 1.050 14.550 -13.121 1.00 0.00 H new ATOM 0 HD2 TYR A 734 -2.718 16.322 -14.023 1.00 0.00 H new ATOM 0 HE1 TYR A 734 2.033 16.782 -12.843 1.00 0.00 H new ATOM 0 HE2 TYR A 734 -1.734 18.555 -13.752 1.00 0.00 H new ATOM 0 HH TYR A 734 0.076 19.735 -13.290 1.00 0.00 H new ATOM 380 N LYS A 735 -1.944 10.900 -14.531 1.00 0.00 N ATOM 381 CA LYS A 735 -2.166 9.513 -14.138 1.00 0.00 C ATOM 382 C LYS A 735 -1.106 8.601 -14.745 1.00 0.00 C ATOM 383 O LYS A 735 -0.894 8.599 -15.957 1.00 0.00 O ATOM 384 CB LYS A 735 -3.560 9.056 -14.572 1.00 0.00 C ATOM 385 CG LYS A 735 -3.853 9.312 -16.041 1.00 0.00 C ATOM 386 CD LYS A 735 -4.718 8.213 -16.636 1.00 0.00 C ATOM 387 CE LYS A 735 -6.183 8.615 -16.676 1.00 0.00 C ATOM 388 NZ LYS A 735 -6.911 7.955 -17.795 1.00 0.00 N ATOM 0 H LYS A 735 -2.715 11.320 -15.051 1.00 0.00 H new ATOM 0 HA LYS A 735 -2.093 9.451 -13.052 1.00 0.00 H new ATOM 0 HB2 LYS A 735 -3.663 7.990 -14.370 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -4.307 9.569 -13.966 1.00 0.00 H new ATOM 0 HG2 LYS A 735 -4.357 10.272 -16.151 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -2.916 9.378 -16.594 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -4.375 7.985 -17.645 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -4.606 7.302 -16.048 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -6.657 8.353 -15.730 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -6.259 9.697 -16.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -7.907 8.256 -17.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -6.475 8.225 -18.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -6.860 6.923 -17.681 1.00 0.00 H new ATOM 402 N HIS A 736 -0.443 7.825 -13.894 1.00 0.00 N ATOM 403 CA HIS A 736 0.596 6.906 -14.346 1.00 0.00 C ATOM 404 C HIS A 736 0.374 5.510 -13.775 1.00 0.00 C ATOM 405 O HIS A 736 0.437 4.515 -14.498 1.00 0.00 O ATOM 406 CB HIS A 736 1.976 7.425 -13.939 1.00 0.00 C ATOM 407 CG HIS A 736 3.016 7.256 -15.002 1.00 0.00 C ATOM 408 ND1 HIS A 736 2.942 6.288 -15.982 1.00 0.00 N ATOM 409 CD2 HIS A 736 4.162 7.940 -15.239 1.00 0.00 C ATOM 410 CE1 HIS A 736 3.996 6.382 -16.773 1.00 0.00 C ATOM 411 NE2 HIS A 736 4.750 7.377 -16.344 1.00 0.00 N ATOM 0 H HIS A 736 -0.607 7.814 -12.887 1.00 0.00 H new ATOM 0 HA HIS A 736 0.545 6.845 -15.433 1.00 0.00 H new ATOM 0 HB2 HIS A 736 1.897 8.482 -13.684 1.00 0.00 H new ATOM 0 HB3 HIS A 736 2.300 6.903 -13.039 1.00 0.00 H new ATOM 0 HD2 HIS A 736 4.542 8.773 -14.665 1.00 0.00 H new ATOM 0 HE1 HIS A 736 4.205 5.752 -17.625 1.00 0.00 H new ATOM 0 HE2 HIS A 736 5.628 7.679 -16.766 1.00 0.00 H new ATOM 420 N ARG A 737 0.113 5.443 -12.474 1.00 0.00 N ATOM 421 CA ARG A 737 -0.119 4.168 -11.804 1.00 0.00 C ATOM 422 C ARG A 737 -1.508 3.628 -12.131 1.00 0.00 C ATOM 423 O ARG A 737 -2.495 3.998 -11.495 1.00 0.00 O ATOM 424 CB ARG A 737 0.036 4.327 -10.291 1.00 0.00 C ATOM 425 CG ARG A 737 1.454 4.086 -9.796 1.00 0.00 C ATOM 426 CD ARG A 737 2.423 5.111 -10.364 1.00 0.00 C ATOM 427 NE ARG A 737 3.752 4.993 -9.770 1.00 0.00 N ATOM 428 CZ ARG A 737 4.039 5.341 -8.517 1.00 0.00 C ATOM 429 NH1 ARG A 737 3.093 5.827 -7.723 1.00 0.00 N ATOM 430 NH2 ARG A 737 5.275 5.201 -8.057 1.00 0.00 N ATOM 0 H ARG A 737 0.057 6.257 -11.862 1.00 0.00 H new ATOM 0 HA ARG A 737 0.623 3.456 -12.165 1.00 0.00 H new ATOM 0 HB2 ARG A 737 -0.273 5.333 -10.006 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -0.638 3.632 -9.790 1.00 0.00 H new ATOM 0 HG2 ARG A 737 1.473 4.130 -8.707 1.00 0.00 H new ATOM 0 HG3 ARG A 737 1.775 3.084 -10.080 1.00 0.00 H new ATOM 0 HD2 ARG A 737 2.496 4.982 -11.444 1.00 0.00 H new ATOM 0 HD3 ARG A 737 2.035 6.114 -10.188 1.00 0.00 H new ATOM 0 HE ARG A 737 4.505 4.622 -10.349 1.00 0.00 H new ATOM 0 HH11 ARG A 737 2.141 5.936 -8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 737 3.318 6.092 -6.764 1.00 0.00 H new ATOM 0 HH21 ARG A 737 6.005 4.827 -8.663 1.00 0.00 H new ATOM 0 HH22 ARG A 737 5.495 5.467 -7.097 1.00 0.00 H new ATOM 444 N ASP A 738 -1.577 2.748 -13.125 1.00 0.00 N ATOM 445 CA ASP A 738 -2.844 2.156 -13.536 1.00 0.00 C ATOM 446 C ASP A 738 -3.484 1.387 -12.385 1.00 0.00 C ATOM 447 O ASP A 738 -4.709 1.306 -12.284 1.00 0.00 O ATOM 448 CB ASP A 738 -2.633 1.225 -14.732 1.00 0.00 C ATOM 449 CG ASP A 738 -1.698 0.075 -14.409 1.00 0.00 C ATOM 450 OD1 ASP A 738 -0.491 0.328 -14.216 1.00 0.00 O ATOM 451 OD2 ASP A 738 -2.174 -1.078 -14.351 1.00 0.00 O ATOM 0 H ASP A 738 -0.770 2.429 -13.661 1.00 0.00 H new ATOM 0 HA ASP A 738 -3.515 2.964 -13.828 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -3.595 0.828 -15.055 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -2.228 1.796 -15.567 1.00 0.00 H new ATOM 456 N ASP A 739 -2.648 0.824 -11.519 1.00 0.00 N ATOM 457 CA ASP A 739 -3.132 0.061 -10.374 1.00 0.00 C ATOM 458 C ASP A 739 -3.993 0.931 -9.463 1.00 0.00 C ATOM 459 O ASP A 739 -5.107 0.553 -9.101 1.00 0.00 O ATOM 460 CB ASP A 739 -1.956 -0.517 -9.585 1.00 0.00 C ATOM 461 CG ASP A 739 -1.560 -1.899 -10.063 1.00 0.00 C ATOM 462 OD1 ASP A 739 -2.466 -2.704 -10.367 1.00 0.00 O ATOM 463 OD2 ASP A 739 -0.346 -2.178 -10.134 1.00 0.00 O ATOM 0 H ASP A 739 -1.632 0.882 -11.588 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.746 -0.758 -10.749 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -1.100 0.153 -9.671 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -2.219 -0.563 -8.528 1.00 0.00 H new ATOM 468 N ARG A 740 -3.469 2.097 -9.101 1.00 0.00 N ATOM 469 CA ARG A 740 -4.191 3.020 -8.232 1.00 0.00 C ATOM 470 C ARG A 740 -5.511 3.444 -8.866 1.00 0.00 C ATOM 471 O ARG A 740 -6.532 3.547 -8.187 1.00 0.00 O ATOM 472 CB ARG A 740 -3.333 4.254 -7.938 1.00 0.00 C ATOM 473 CG ARG A 740 -3.545 4.823 -6.545 1.00 0.00 C ATOM 474 CD ARG A 740 -2.327 5.595 -6.068 1.00 0.00 C ATOM 475 NE ARG A 740 -2.122 5.461 -4.627 1.00 0.00 N ATOM 476 CZ ARG A 740 -1.350 6.274 -3.910 1.00 0.00 C ATOM 477 NH1 ARG A 740 -0.709 7.279 -4.493 1.00 0.00 N ATOM 478 NH2 ARG A 740 -1.218 6.081 -2.605 1.00 0.00 N ATOM 0 H ARG A 740 -2.549 2.425 -9.395 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.407 2.505 -7.296 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.282 3.993 -8.059 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -3.556 5.026 -8.675 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -4.415 5.479 -6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -3.759 4.012 -5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -1.442 5.237 -6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -2.444 6.649 -6.321 1.00 0.00 H new ATOM 0 HE ARG A 740 -2.598 4.700 -4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 740 -0.806 7.432 -5.497 1.00 0.00 H new ATOM 0 HH12 ARG A 740 -0.119 7.898 -3.937 1.00 0.00 H new ATOM 0 HH21 ARG A 740 -1.708 5.310 -2.151 1.00 0.00 H new ATOM 0 HH22 ARG A 740 -0.626 6.704 -2.055 1.00 0.00 H new ATOM 492 N LEU A 741 -5.486 3.685 -10.173 1.00 0.00 N ATOM 493 CA LEU A 741 -6.684 4.092 -10.896 1.00 0.00 C ATOM 494 C LEU A 741 -7.785 3.048 -10.746 1.00 0.00 C ATOM 495 O LEU A 741 -8.960 3.385 -10.602 1.00 0.00 O ATOM 496 CB LEU A 741 -6.367 4.310 -12.377 1.00 0.00 C ATOM 497 CG LEU A 741 -5.911 5.724 -12.740 1.00 0.00 C ATOM 498 CD1 LEU A 741 -7.052 6.714 -12.562 1.00 0.00 C ATOM 499 CD2 LEU A 741 -4.713 6.131 -11.895 1.00 0.00 C ATOM 0 H LEU A 741 -4.650 3.605 -10.752 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.035 5.031 -10.469 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.589 3.606 -12.674 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.255 4.069 -12.962 1.00 0.00 H new ATOM 0 HG LEU A 741 -5.611 5.731 -13.788 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -6.710 7.715 -12.825 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -7.882 6.433 -13.210 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -7.383 6.705 -11.524 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -4.402 7.140 -12.167 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.987 6.107 -10.840 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -3.891 5.438 -12.072 1.00 0.00 H new ATOM 511 N LEU A 742 -7.395 1.778 -10.773 1.00 0.00 N ATOM 512 CA LEU A 742 -8.349 0.685 -10.632 1.00 0.00 C ATOM 513 C LEU A 742 -9.098 0.797 -9.309 1.00 0.00 C ATOM 514 O LEU A 742 -10.267 0.422 -9.211 1.00 0.00 O ATOM 515 CB LEU A 742 -7.628 -0.664 -10.718 1.00 0.00 C ATOM 516 CG LEU A 742 -8.307 -1.704 -11.611 1.00 0.00 C ATOM 517 CD1 LEU A 742 -7.520 -3.006 -11.607 1.00 0.00 C ATOM 518 CD2 LEU A 742 -9.738 -1.943 -11.157 1.00 0.00 C ATOM 0 H LEU A 742 -6.426 1.481 -10.891 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.071 0.750 -11.446 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -6.616 -0.495 -11.087 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -7.536 -1.075 -9.713 1.00 0.00 H new ATOM 0 HG LEU A 742 -8.330 -1.320 -12.631 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -8.018 -3.734 -12.248 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -6.512 -2.823 -11.980 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -7.465 -3.395 -10.590 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -10.206 -2.686 -11.804 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -9.738 -2.305 -10.129 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -10.298 -1.010 -11.212 1.00 0.00 H new ATOM 530 N GLN A 743 -8.418 1.320 -8.294 1.00 0.00 N ATOM 531 CA GLN A 743 -9.021 1.489 -6.980 1.00 0.00 C ATOM 532 C GLN A 743 -10.207 2.443 -7.051 1.00 0.00 C ATOM 533 O GLN A 743 -11.285 2.150 -6.535 1.00 0.00 O ATOM 534 CB GLN A 743 -7.987 2.016 -5.983 1.00 0.00 C ATOM 535 CG GLN A 743 -6.780 1.104 -5.821 1.00 0.00 C ATOM 536 CD GLN A 743 -7.135 -0.223 -5.181 1.00 0.00 C ATOM 537 OE1 GLN A 743 -7.151 -0.350 -3.956 1.00 0.00 O ATOM 538 NE2 GLN A 743 -7.422 -1.222 -6.008 1.00 0.00 N ATOM 0 H GLN A 743 -7.449 1.634 -8.358 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.376 0.516 -6.641 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.648 2.999 -6.309 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.465 2.149 -5.012 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.332 0.924 -6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -6.028 1.607 -5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -7.396 -1.072 -7.017 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -7.668 -2.139 -5.634 1.00 0.00 H new ATOM 547 N ALA A 744 -10.004 3.588 -7.695 1.00 0.00 N ATOM 548 CA ALA A 744 -11.057 4.582 -7.833 1.00 0.00 C ATOM 549 C ALA A 744 -12.143 4.104 -8.791 1.00 0.00 C ATOM 550 O ALA A 744 -13.332 4.181 -8.484 1.00 0.00 O ATOM 551 CB ALA A 744 -10.477 5.907 -8.305 1.00 0.00 C ATOM 0 H ALA A 744 -9.118 3.849 -8.129 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.513 4.728 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -11.278 6.640 -8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.746 6.263 -7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -9.992 5.768 -9.271 1.00 0.00 H new ATOM 557 N LEU A 745 -11.727 3.607 -9.953 1.00 0.00 N ATOM 558 CA LEU A 745 -12.669 3.116 -10.953 1.00 0.00 C ATOM 559 C LEU A 745 -13.551 2.020 -10.367 1.00 0.00 C ATOM 560 O LEU A 745 -14.776 2.059 -10.496 1.00 0.00 O ATOM 561 CB LEU A 745 -11.919 2.585 -12.178 1.00 0.00 C ATOM 562 CG LEU A 745 -10.909 3.555 -12.797 1.00 0.00 C ATOM 563 CD1 LEU A 745 -9.765 2.793 -13.453 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.595 4.463 -13.806 1.00 0.00 C ATOM 0 H LEU A 745 -10.746 3.534 -10.224 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.303 3.947 -11.261 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.395 1.672 -11.895 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.649 2.311 -12.940 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.494 4.174 -12.001 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.058 3.500 -13.887 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.257 2.185 -12.705 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.160 2.148 -14.237 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -10.863 5.146 -14.237 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.037 3.858 -14.598 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.377 5.036 -13.307 1.00 0.00 H new ATOM 576 N MET A 746 -12.924 1.043 -9.721 1.00 0.00 N ATOM 577 CA MET A 746 -13.655 -0.061 -9.113 1.00 0.00 C ATOM 578 C MET A 746 -14.454 0.421 -7.906 1.00 0.00 C ATOM 579 O MET A 746 -15.561 -0.051 -7.652 1.00 0.00 O ATOM 580 CB MET A 746 -12.690 -1.177 -8.701 1.00 0.00 C ATOM 581 CG MET A 746 -11.900 -0.880 -7.438 1.00 0.00 C ATOM 582 SD MET A 746 -12.754 -1.417 -5.943 1.00 0.00 S ATOM 583 CE MET A 746 -11.861 -0.497 -4.694 1.00 0.00 C ATOM 0 H MET A 746 -11.912 0.994 -9.605 1.00 0.00 H new ATOM 0 HA MET A 746 -14.353 -0.457 -9.851 1.00 0.00 H new ATOM 0 HB2 MET A 746 -13.257 -2.097 -8.554 1.00 0.00 H new ATOM 0 HB3 MET A 746 -11.992 -1.359 -9.518 1.00 0.00 H new ATOM 0 HG2 MET A 746 -10.930 -1.375 -7.496 1.00 0.00 H new ATOM 0 HG3 MET A 746 -11.708 0.191 -7.377 1.00 0.00 H new ATOM 0 HE1 MET A 746 -12.486 -0.386 -3.808 1.00 0.00 H new ATOM 0 HE2 MET A 746 -10.949 -1.032 -4.431 1.00 0.00 H new ATOM 0 HE3 MET A 746 -11.604 0.489 -5.082 1.00 0.00 H new ATOM 593 N ASP A 747 -13.880 1.369 -7.170 1.00 0.00 N ATOM 594 CA ASP A 747 -14.535 1.921 -5.988 1.00 0.00 C ATOM 595 C ASP A 747 -15.916 2.469 -6.337 1.00 0.00 C ATOM 596 O ASP A 747 -16.869 2.309 -5.575 1.00 0.00 O ATOM 597 CB ASP A 747 -13.675 3.028 -5.373 1.00 0.00 C ATOM 598 CG ASP A 747 -12.784 2.515 -4.260 1.00 0.00 C ATOM 599 OD1 ASP A 747 -13.258 1.689 -3.451 1.00 0.00 O ATOM 600 OD2 ASP A 747 -11.611 2.939 -4.196 1.00 0.00 O ATOM 0 H ASP A 747 -12.964 1.770 -7.371 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.656 1.117 -5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -13.058 3.479 -6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -14.323 3.814 -4.984 1.00 0.00 H new ATOM 605 N ILE A 748 -16.015 3.116 -7.495 1.00 0.00 N ATOM 606 CA ILE A 748 -17.277 3.688 -7.946 1.00 0.00 C ATOM 607 C ILE A 748 -18.343 2.608 -8.101 1.00 0.00 C ATOM 608 O ILE A 748 -19.447 2.730 -7.572 1.00 0.00 O ATOM 609 CB ILE A 748 -17.112 4.429 -9.288 1.00 0.00 C ATOM 610 CG1 ILE A 748 -15.964 5.437 -9.201 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.408 5.128 -9.673 1.00 0.00 C ATOM 612 CD1 ILE A 748 -15.097 5.473 -10.441 1.00 0.00 C ATOM 0 H ILE A 748 -15.235 3.257 -8.137 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.592 4.401 -7.184 1.00 0.00 H new ATOM 0 HB ILE A 748 -16.873 3.698 -10.061 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -16.376 6.431 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -15.342 5.194 -8.339 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.274 5.646 -10.623 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.204 4.390 -9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -18.676 5.849 -8.901 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -14.304 6.209 -10.309 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -14.656 4.490 -10.605 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -15.706 5.746 -11.303 1.00 0.00 H new ATOM 624 N LEU A 749 -18.005 1.550 -8.830 1.00 0.00 N ATOM 625 CA LEU A 749 -18.933 0.448 -9.055 1.00 0.00 C ATOM 626 C LEU A 749 -19.315 -0.218 -7.736 1.00 0.00 C ATOM 627 O LEU A 749 -20.469 -0.587 -7.527 1.00 0.00 O ATOM 628 CB LEU A 749 -18.315 -0.584 -10.000 1.00 0.00 C ATOM 629 CG LEU A 749 -18.527 -0.304 -11.489 1.00 0.00 C ATOM 630 CD1 LEU A 749 -17.956 1.055 -11.864 1.00 0.00 C ATOM 631 CD2 LEU A 749 -17.892 -1.401 -12.331 1.00 0.00 C ATOM 0 H LEU A 749 -17.095 1.432 -9.275 1.00 0.00 H new ATOM 0 HA LEU A 749 -19.835 0.854 -9.513 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -17.244 -0.638 -9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -18.732 -1.564 -9.767 1.00 0.00 H new ATOM 0 HG LEU A 749 -19.599 -0.292 -11.689 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -18.116 1.236 -12.927 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -18.455 1.832 -11.284 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -16.887 1.072 -11.650 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -18.052 -1.187 -13.388 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -16.822 -1.443 -12.127 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -18.347 -2.360 -12.082 1.00 0.00 H new ATOM 643 N ASN A 750 -18.336 -0.368 -6.851 1.00 0.00 N ATOM 644 CA ASN A 750 -18.567 -0.989 -5.552 1.00 0.00 C ATOM 645 C ASN A 750 -19.584 -0.191 -4.742 1.00 0.00 C ATOM 646 O ASN A 750 -20.385 -0.760 -3.999 1.00 0.00 O ATOM 647 CB ASN A 750 -17.254 -1.102 -4.775 1.00 0.00 C ATOM 648 CG ASN A 750 -16.465 -2.340 -5.149 1.00 0.00 C ATOM 649 OD1 ASN A 750 -16.914 -3.157 -5.954 1.00 0.00 O ATOM 650 ND2 ASN A 750 -15.282 -2.487 -4.566 1.00 0.00 N ATOM 0 H ASN A 750 -17.374 -0.068 -7.009 1.00 0.00 H new ATOM 0 HA ASN A 750 -18.967 -1.989 -5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.646 -0.217 -4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -17.468 -1.120 -3.706 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -14.706 -3.301 -4.779 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -14.949 -1.786 -3.905 1.00 0.00 H new ATOM 657 N GLU A 751 -19.548 1.129 -4.891 1.00 0.00 N ATOM 658 CA GLU A 751 -20.466 2.006 -4.174 1.00 0.00 C ATOM 659 C GLU A 751 -21.914 1.685 -4.531 1.00 0.00 C ATOM 660 O GLU A 751 -22.761 1.528 -3.652 1.00 0.00 O ATOM 661 CB GLU A 751 -20.162 3.470 -4.494 1.00 0.00 C ATOM 662 CG GLU A 751 -18.979 4.028 -3.720 1.00 0.00 C ATOM 663 CD GLU A 751 -19.404 4.886 -2.544 1.00 0.00 C ATOM 664 OE1 GLU A 751 -20.125 5.882 -2.766 1.00 0.00 O ATOM 665 OE2 GLU A 751 -19.016 4.564 -1.401 1.00 0.00 O ATOM 0 H GLU A 751 -18.892 1.615 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 751 -20.328 1.840 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -19.965 3.567 -5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -21.044 4.072 -4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -18.364 3.204 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -18.357 4.620 -4.391 1.00 0.00 H new ATOM 672 N GLU A 752 -22.191 1.591 -5.828 1.00 0.00 N ATOM 673 CA GLU A 752 -23.532 1.292 -6.304 1.00 0.00 C ATOM 674 C GLU A 752 -23.766 -0.215 -6.369 1.00 0.00 C ATOM 675 O GLU A 752 -24.170 -0.747 -7.403 1.00 0.00 O ATOM 676 CB GLU A 752 -23.757 1.918 -7.682 1.00 0.00 C ATOM 677 CG GLU A 752 -24.254 3.354 -7.624 1.00 0.00 C ATOM 678 CD GLU A 752 -25.680 3.455 -7.122 1.00 0.00 C ATOM 679 OE1 GLU A 752 -26.152 2.498 -6.472 1.00 0.00 O ATOM 680 OE2 GLU A 752 -26.328 4.493 -7.379 1.00 0.00 O ATOM 0 H GLU A 752 -21.501 1.718 -6.568 1.00 0.00 H new ATOM 0 HA GLU A 752 -24.245 1.719 -5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -22.823 1.888 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -24.479 1.314 -8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -23.601 3.935 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -24.190 3.798 -8.618 1.00 0.00 H new ATOM 687 N ASN A 753 -23.513 -0.896 -5.257 1.00 0.00 N ATOM 688 CA ASN A 753 -23.697 -2.342 -5.187 1.00 0.00 C ATOM 689 C ASN A 753 -22.812 -3.052 -6.207 1.00 0.00 C ATOM 690 O ASN A 753 -22.166 -2.356 -7.016 1.00 0.00 O ATOM 691 CB ASN A 753 -25.164 -2.702 -5.429 1.00 0.00 C ATOM 692 CG ASN A 753 -25.966 -2.750 -4.144 1.00 0.00 C ATOM 693 OD1 ASN A 753 -26.622 -3.747 -3.843 1.00 0.00 O ATOM 694 ND2 ASN A 753 -25.917 -1.668 -3.374 1.00 0.00 N ATOM 695 OXT ASN A 753 -22.774 -4.301 -6.187 1.00 0.00 O ATOM 0 H ASN A 753 -23.180 -0.471 -4.392 1.00 0.00 H new ATOM 0 HA ASN A 753 -23.409 -2.673 -4.189 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -25.608 -1.971 -6.104 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -25.221 -3.670 -5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -26.436 -1.643 -2.496 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -25.361 -0.863 -3.661 1.00 0.00 H new TER 702 ASN A 753