USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=10 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 -28:sc= 0.138 USER MOD Single : A 712 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD Single : A 719 SER OG : rot 180:sc= 0 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= -1.04 K(o=-1,f=-1.9!) USER MOD Single : A 731 THR OG1 : rot -114:sc= 1.24 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+ 161:sc= 0 (180deg=-0.355) USER MOD Single : A 736 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=-0.14) USER MOD Single : A 743 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 746 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 750 ASN : amide:sc= 0 X(o=0,f=0.095) USER MOD Single : A 753 ASN : amide:sc= -0.013 K(o=-0.013,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 -20.039 20.647 -2.179 1.00 0.00 N ATOM 2 CA SER A 711 -20.753 19.546 -1.482 1.00 0.00 C ATOM 3 C SER A 711 -20.542 19.619 0.026 1.00 0.00 C ATOM 4 O SER A 711 -21.482 19.453 0.805 1.00 0.00 O ATOM 5 CB SER A 711 -20.239 18.212 -2.024 1.00 0.00 C ATOM 6 OG SER A 711 -18.829 18.119 -1.897 1.00 0.00 O ATOM 0 HA SER A 711 -21.823 19.640 -1.668 1.00 0.00 H new ATOM 0 HB2 SER A 711 -20.711 17.391 -1.485 1.00 0.00 H new ATOM 0 HB3 SER A 711 -20.521 18.109 -3.072 1.00 0.00 H new ATOM 0 HG SER A 711 -18.438 19.017 -1.928 1.00 0.00 H new ATOM 14 N LYS A 712 -19.302 19.868 0.434 1.00 0.00 N ATOM 15 CA LYS A 712 -18.966 19.963 1.849 1.00 0.00 C ATOM 16 C LYS A 712 -18.952 21.418 2.308 1.00 0.00 C ATOM 17 O LYS A 712 -19.105 22.336 1.503 1.00 0.00 O ATOM 18 CB LYS A 712 -17.605 19.319 2.117 1.00 0.00 C ATOM 19 CG LYS A 712 -17.686 17.832 2.425 1.00 0.00 C ATOM 20 CD LYS A 712 -17.672 16.998 1.154 1.00 0.00 C ATOM 21 CE LYS A 712 -16.887 15.710 1.341 1.00 0.00 C ATOM 22 NZ LYS A 712 -15.423 15.922 1.182 1.00 0.00 N ATOM 0 H LYS A 712 -18.513 20.008 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 712 -19.730 19.429 2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 712 -16.965 19.467 1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 712 -17.129 19.830 2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 712 -16.847 17.545 3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 712 -18.597 17.625 2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 712 -18.695 16.762 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 712 -17.233 17.578 0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 712 -17.089 15.303 2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 712 -17.227 14.970 0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 -14.925 15.019 1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 -15.227 16.286 0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 -15.093 16.609 1.890 1.00 0.00 H new ATOM 36 N LEU A 713 -18.767 21.620 3.609 1.00 0.00 N ATOM 37 CA LEU A 713 -18.733 22.964 4.176 1.00 0.00 C ATOM 38 C LEU A 713 -17.425 23.667 3.830 1.00 0.00 C ATOM 39 O LEU A 713 -16.372 23.036 3.748 1.00 0.00 O ATOM 40 CB LEU A 713 -18.907 22.903 5.694 1.00 0.00 C ATOM 41 CG LEU A 713 -20.353 22.774 6.176 1.00 0.00 C ATOM 42 CD1 LEU A 713 -20.395 22.250 7.604 1.00 0.00 C ATOM 43 CD2 LEU A 713 -21.069 24.112 6.076 1.00 0.00 C ATOM 0 H LEU A 713 -18.638 20.871 4.290 1.00 0.00 H new ATOM 0 HA LEU A 713 -19.556 23.535 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 713 -18.336 22.057 6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 713 -18.474 23.803 6.130 1.00 0.00 H new ATOM 0 HG LEU A 713 -20.868 22.060 5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 713 -21.432 22.165 7.930 1.00 0.00 H new ATOM 0 HD12 LEU A 713 -19.920 21.270 7.646 1.00 0.00 H new ATOM 0 HD13 LEU A 713 -19.864 22.939 8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 713 -22.096 24.002 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 713 -20.554 24.847 6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 713 -21.070 24.447 5.039 1.00 0.00 H new ATOM 55 N GLU A 714 -17.501 24.981 3.629 1.00 0.00 N ATOM 56 CA GLU A 714 -16.325 25.776 3.291 1.00 0.00 C ATOM 57 C GLU A 714 -15.817 25.436 1.892 1.00 0.00 C ATOM 58 O GLU A 714 -15.892 26.257 0.979 1.00 0.00 O ATOM 59 CB GLU A 714 -15.212 25.553 4.318 1.00 0.00 C ATOM 60 CG GLU A 714 -14.086 26.571 4.228 1.00 0.00 C ATOM 61 CD GLU A 714 -12.790 26.060 4.825 1.00 0.00 C ATOM 62 OE1 GLU A 714 -12.133 25.214 4.185 1.00 0.00 O ATOM 63 OE2 GLU A 714 -12.432 26.507 5.937 1.00 0.00 O ATOM 0 H GLU A 714 -18.366 25.517 3.695 1.00 0.00 H new ATOM 0 HA GLU A 714 -16.617 26.826 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 714 -15.641 25.587 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 714 -14.799 24.554 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 714 -13.922 26.834 3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 714 -14.384 27.484 4.744 1.00 0.00 H new ATOM 70 N GLY A 715 -15.300 24.222 1.733 1.00 0.00 N ATOM 71 CA GLY A 715 -14.790 23.797 0.442 1.00 0.00 C ATOM 72 C GLY A 715 -13.298 24.028 0.306 1.00 0.00 C ATOM 73 O GLY A 715 -12.686 24.688 1.145 1.00 0.00 O ATOM 0 H GLY A 715 -15.225 23.525 2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -15.005 22.738 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -15.312 24.337 -0.348 1.00 0.00 H new ATOM 77 N SER A 716 -12.712 23.483 -0.756 1.00 0.00 N ATOM 78 CA SER A 716 -11.283 23.633 -1.001 1.00 0.00 C ATOM 79 C SER A 716 -10.969 25.015 -1.564 1.00 0.00 C ATOM 80 O SER A 716 -10.001 25.657 -1.158 1.00 0.00 O ATOM 81 CB SER A 716 -10.794 22.552 -1.966 1.00 0.00 C ATOM 82 OG SER A 716 -9.506 22.865 -2.472 1.00 0.00 O ATOM 0 H SER A 716 -13.205 22.934 -1.460 1.00 0.00 H new ATOM 0 HA SER A 716 -10.763 23.523 -0.049 1.00 0.00 H new ATOM 0 HB2 SER A 716 -10.763 21.590 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 716 -11.498 22.452 -2.792 1.00 0.00 H new ATOM 0 HG SER A 716 -9.215 22.158 -3.085 1.00 0.00 H new ATOM 88 N GLU A 717 -11.796 25.468 -2.501 1.00 0.00 N ATOM 89 CA GLU A 717 -11.607 26.773 -3.121 1.00 0.00 C ATOM 90 C GLU A 717 -12.945 27.377 -3.534 1.00 0.00 C ATOM 91 O GLU A 717 -13.041 28.062 -4.554 1.00 0.00 O ATOM 92 CB GLU A 717 -10.690 26.656 -4.339 1.00 0.00 C ATOM 93 CG GLU A 717 -9.873 27.909 -4.608 1.00 0.00 C ATOM 94 CD GLU A 717 -8.503 27.600 -5.181 1.00 0.00 C ATOM 95 OE1 GLU A 717 -8.405 27.392 -6.408 1.00 0.00 O ATOM 96 OE2 GLU A 717 -7.528 27.565 -4.402 1.00 0.00 O ATOM 0 H GLU A 717 -12.604 24.950 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 717 -11.141 27.431 -2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 717 -10.012 25.815 -4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 717 -11.294 26.431 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 717 -10.416 28.551 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 717 -9.757 28.469 -3.680 1.00 0.00 H new ATOM 103 N ASP A 718 -13.977 27.121 -2.735 1.00 0.00 N ATOM 104 CA ASP A 718 -15.310 27.638 -3.017 1.00 0.00 C ATOM 105 C ASP A 718 -15.837 27.094 -4.342 1.00 0.00 C ATOM 106 O ASP A 718 -15.065 26.794 -5.252 1.00 0.00 O ATOM 107 CB ASP A 718 -15.291 29.167 -3.052 1.00 0.00 C ATOM 108 CG ASP A 718 -14.704 29.768 -1.790 1.00 0.00 C ATOM 109 OD1 ASP A 718 -13.648 29.280 -1.336 1.00 0.00 O ATOM 110 OD2 ASP A 718 -15.302 30.726 -1.255 1.00 0.00 O ATOM 0 H ASP A 718 -13.914 26.558 -1.887 1.00 0.00 H new ATOM 0 HA ASP A 718 -15.975 27.308 -2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 718 -14.712 29.501 -3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 718 -16.307 29.537 -3.188 1.00 0.00 H new ATOM 115 N SER A 719 -17.157 26.969 -4.442 1.00 0.00 N ATOM 116 CA SER A 719 -17.787 26.462 -5.655 1.00 0.00 C ATOM 117 C SER A 719 -17.769 27.515 -6.759 1.00 0.00 C ATOM 118 O SER A 719 -17.847 28.714 -6.488 1.00 0.00 O ATOM 119 CB SER A 719 -19.226 26.033 -5.366 1.00 0.00 C ATOM 120 OG SER A 719 -19.272 24.712 -4.856 1.00 0.00 O ATOM 0 H SER A 719 -17.810 27.212 -3.697 1.00 0.00 H new ATOM 0 HA SER A 719 -17.219 25.596 -5.995 1.00 0.00 H new ATOM 0 HB2 SER A 719 -19.676 26.719 -4.648 1.00 0.00 H new ATOM 0 HB3 SER A 719 -19.817 26.094 -6.280 1.00 0.00 H new ATOM 0 HG SER A 719 -20.203 24.462 -4.678 1.00 0.00 H new ATOM 126 N LEU A 720 -17.669 27.059 -8.003 1.00 0.00 N ATOM 127 CA LEU A 720 -17.642 27.962 -9.148 1.00 0.00 C ATOM 128 C LEU A 720 -17.839 27.196 -10.451 1.00 0.00 C ATOM 129 O LEU A 720 -18.590 27.624 -11.327 1.00 0.00 O ATOM 130 CB LEU A 720 -16.318 28.728 -9.188 1.00 0.00 C ATOM 131 CG LEU A 720 -16.416 30.163 -9.708 1.00 0.00 C ATOM 132 CD1 LEU A 720 -17.076 30.190 -11.078 1.00 0.00 C ATOM 133 CD2 LEU A 720 -17.185 31.033 -8.725 1.00 0.00 C ATOM 0 H LEU A 720 -17.605 26.070 -8.244 1.00 0.00 H new ATOM 0 HA LEU A 720 -18.462 28.672 -9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 720 -15.898 28.750 -8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 720 -15.616 28.178 -9.815 1.00 0.00 H new ATOM 0 HG LEU A 720 -15.407 30.565 -9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 720 -17.137 31.219 -11.432 1.00 0.00 H new ATOM 0 HD12 LEU A 720 -16.485 29.600 -11.778 1.00 0.00 H new ATOM 0 HD13 LEU A 720 -18.080 29.771 -11.007 1.00 0.00 H new ATOM 0 HD21 LEU A 720 -17.246 32.051 -9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 720 -18.191 30.634 -8.595 1.00 0.00 H new ATOM 0 HD23 LEU A 720 -16.670 31.039 -7.764 1.00 0.00 H new ATOM 145 N TYR A 721 -17.159 26.060 -10.574 1.00 0.00 N ATOM 146 CA TYR A 721 -17.260 25.234 -11.772 1.00 0.00 C ATOM 147 C TYR A 721 -16.917 23.780 -11.460 1.00 0.00 C ATOM 148 O TYR A 721 -16.195 23.126 -12.212 1.00 0.00 O ATOM 149 CB TYR A 721 -16.332 25.772 -12.864 1.00 0.00 C ATOM 150 CG TYR A 721 -16.994 25.884 -14.220 1.00 0.00 C ATOM 151 CD1 TYR A 721 -17.837 24.883 -14.688 1.00 0.00 C ATOM 152 CD2 TYR A 721 -16.774 26.990 -15.031 1.00 0.00 C ATOM 153 CE1 TYR A 721 -18.442 24.983 -15.926 1.00 0.00 C ATOM 154 CE2 TYR A 721 -17.376 27.097 -16.270 1.00 0.00 C ATOM 155 CZ TYR A 721 -18.209 26.091 -16.714 1.00 0.00 C ATOM 156 OH TYR A 721 -18.811 26.194 -17.946 1.00 0.00 O ATOM 0 H TYR A 721 -16.532 25.691 -9.859 1.00 0.00 H new ATOM 0 HA TYR A 721 -18.289 25.274 -12.129 1.00 0.00 H new ATOM 0 HB2 TYR A 721 -15.965 26.754 -12.566 1.00 0.00 H new ATOM 0 HB3 TYR A 721 -15.464 25.118 -12.946 1.00 0.00 H new ATOM 0 HD1 TYR A 721 -18.022 24.014 -14.074 1.00 0.00 H new ATOM 0 HD2 TYR A 721 -16.122 27.779 -14.687 1.00 0.00 H new ATOM 0 HE1 TYR A 721 -19.095 24.197 -16.275 1.00 0.00 H new ATOM 0 HE2 TYR A 721 -17.195 27.964 -16.888 1.00 0.00 H new ATOM 0 HH TYR A 721 -18.543 27.035 -18.372 1.00 0.00 H new ATOM 166 N SER A 722 -17.440 23.280 -10.344 1.00 0.00 N ATOM 167 CA SER A 722 -17.192 21.903 -9.929 1.00 0.00 C ATOM 168 C SER A 722 -17.563 20.920 -11.037 1.00 0.00 C ATOM 169 O SER A 722 -17.012 19.823 -11.114 1.00 0.00 O ATOM 170 CB SER A 722 -17.982 21.581 -8.661 1.00 0.00 C ATOM 171 OG SER A 722 -17.234 20.750 -7.790 1.00 0.00 O ATOM 0 H SER A 722 -18.039 23.809 -9.710 1.00 0.00 H new ATOM 0 HA SER A 722 -16.127 21.801 -9.722 1.00 0.00 H new ATOM 0 HB2 SER A 722 -18.246 22.506 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 722 -18.916 21.087 -8.927 1.00 0.00 H new ATOM 0 HG SER A 722 -17.761 20.560 -6.986 1.00 0.00 H new ATOM 177 N ASP A 723 -18.499 21.318 -11.893 1.00 0.00 N ATOM 178 CA ASP A 723 -18.937 20.468 -12.994 1.00 0.00 C ATOM 179 C ASP A 723 -17.773 20.157 -13.932 1.00 0.00 C ATOM 180 O ASP A 723 -17.444 18.994 -14.165 1.00 0.00 O ATOM 181 CB ASP A 723 -20.068 21.145 -13.772 1.00 0.00 C ATOM 182 CG ASP A 723 -21.155 21.678 -12.862 1.00 0.00 C ATOM 183 OD1 ASP A 723 -22.012 20.878 -12.427 1.00 0.00 O ATOM 184 OD2 ASP A 723 -21.155 22.895 -12.582 1.00 0.00 O ATOM 0 H ASP A 723 -18.968 22.223 -11.845 1.00 0.00 H new ATOM 0 HA ASP A 723 -19.306 19.532 -12.575 1.00 0.00 H new ATOM 0 HB2 ASP A 723 -19.659 21.964 -14.364 1.00 0.00 H new ATOM 0 HB3 ASP A 723 -20.502 20.431 -14.472 1.00 0.00 H new ATOM 189 N TYR A 724 -17.156 21.207 -14.463 1.00 0.00 N ATOM 190 CA TYR A 724 -16.029 21.053 -15.371 1.00 0.00 C ATOM 191 C TYR A 724 -14.810 20.501 -14.632 1.00 0.00 C ATOM 192 O TYR A 724 -13.992 19.784 -15.211 1.00 0.00 O ATOM 193 CB TYR A 724 -15.695 22.403 -16.022 1.00 0.00 C ATOM 194 CG TYR A 724 -14.241 22.558 -16.408 1.00 0.00 C ATOM 195 CD1 TYR A 724 -13.295 22.948 -15.469 1.00 0.00 C ATOM 196 CD2 TYR A 724 -13.816 22.308 -17.706 1.00 0.00 C ATOM 197 CE1 TYR A 724 -11.965 23.084 -15.812 1.00 0.00 C ATOM 198 CE2 TYR A 724 -12.488 22.443 -18.058 1.00 0.00 C ATOM 199 CZ TYR A 724 -11.566 22.832 -17.108 1.00 0.00 C ATOM 200 OH TYR A 724 -10.240 22.967 -17.454 1.00 0.00 O ATOM 0 H TYR A 724 -17.419 22.175 -14.279 1.00 0.00 H new ATOM 0 HA TYR A 724 -16.303 20.342 -16.150 1.00 0.00 H new ATOM 0 HB2 TYR A 724 -16.312 22.528 -16.912 1.00 0.00 H new ATOM 0 HB3 TYR A 724 -15.964 23.203 -15.333 1.00 0.00 H new ATOM 0 HD1 TYR A 724 -13.605 23.148 -14.454 1.00 0.00 H new ATOM 0 HD2 TYR A 724 -14.535 22.003 -18.452 1.00 0.00 H new ATOM 0 HE1 TYR A 724 -11.241 23.386 -15.070 1.00 0.00 H new ATOM 0 HE2 TYR A 724 -12.172 22.245 -19.072 1.00 0.00 H new ATOM 0 HH TYR A 724 -10.126 22.752 -18.403 1.00 0.00 H new ATOM 210 N VAL A 725 -14.695 20.844 -13.355 1.00 0.00 N ATOM 211 CA VAL A 725 -13.577 20.388 -12.538 1.00 0.00 C ATOM 212 C VAL A 725 -13.749 18.925 -12.139 1.00 0.00 C ATOM 213 O VAL A 725 -12.768 18.197 -11.977 1.00 0.00 O ATOM 214 CB VAL A 725 -13.429 21.257 -11.271 1.00 0.00 C ATOM 215 CG1 VAL A 725 -12.357 20.700 -10.343 1.00 0.00 C ATOM 216 CG2 VAL A 725 -13.119 22.698 -11.652 1.00 0.00 C ATOM 0 H VAL A 725 -15.363 21.437 -12.862 1.00 0.00 H new ATOM 0 HA VAL A 725 -12.673 20.484 -13.140 1.00 0.00 H new ATOM 0 HB VAL A 725 -14.376 21.236 -10.732 1.00 0.00 H new ATOM 0 HG11 VAL A 725 -12.276 21.333 -9.460 1.00 0.00 H new ATOM 0 HG12 VAL A 725 -12.627 19.688 -10.041 1.00 0.00 H new ATOM 0 HG13 VAL A 725 -11.400 20.679 -10.864 1.00 0.00 H new ATOM 0 HG21 VAL A 725 -13.017 23.299 -10.749 1.00 0.00 H new ATOM 0 HG22 VAL A 725 -12.188 22.733 -12.218 1.00 0.00 H new ATOM 0 HG23 VAL A 725 -13.930 23.095 -12.263 1.00 0.00 H new ATOM 226 N ASP A 726 -14.997 18.499 -11.984 1.00 0.00 N ATOM 227 CA ASP A 726 -15.294 17.121 -11.607 1.00 0.00 C ATOM 228 C ASP A 726 -14.722 16.142 -12.629 1.00 0.00 C ATOM 229 O ASP A 726 -14.417 14.996 -12.302 1.00 0.00 O ATOM 230 CB ASP A 726 -16.804 16.918 -11.478 1.00 0.00 C ATOM 231 CG ASP A 726 -17.164 15.519 -11.019 1.00 0.00 C ATOM 232 OD1 ASP A 726 -16.846 15.174 -9.861 1.00 0.00 O ATOM 233 OD2 ASP A 726 -17.765 14.769 -11.815 1.00 0.00 O ATOM 0 H ASP A 726 -15.820 19.087 -12.113 1.00 0.00 H new ATOM 0 HA ASP A 726 -14.826 16.926 -10.642 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -17.206 17.644 -10.771 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -17.277 17.114 -12.440 1.00 0.00 H new ATOM 238 N VAL A 727 -14.581 16.603 -13.868 1.00 0.00 N ATOM 239 CA VAL A 727 -14.046 15.769 -14.938 1.00 0.00 C ATOM 240 C VAL A 727 -12.628 15.306 -14.620 1.00 0.00 C ATOM 241 O VAL A 727 -12.186 14.259 -15.096 1.00 0.00 O ATOM 242 CB VAL A 727 -14.042 16.518 -16.284 1.00 0.00 C ATOM 243 CG1 VAL A 727 -13.675 15.573 -17.418 1.00 0.00 C ATOM 244 CG2 VAL A 727 -15.392 17.170 -16.538 1.00 0.00 C ATOM 0 H VAL A 727 -14.830 17.549 -14.155 1.00 0.00 H new ATOM 0 HA VAL A 727 -14.698 14.899 -15.017 1.00 0.00 H new ATOM 0 HB VAL A 727 -13.289 17.305 -16.239 1.00 0.00 H new ATOM 0 HG11 VAL A 727 -13.677 16.119 -18.362 1.00 0.00 H new ATOM 0 HG12 VAL A 727 -12.682 15.159 -17.240 1.00 0.00 H new ATOM 0 HG13 VAL A 727 -14.402 14.763 -17.466 1.00 0.00 H new ATOM 0 HG21 VAL A 727 -15.369 17.694 -17.493 1.00 0.00 H new ATOM 0 HG22 VAL A 727 -16.167 16.404 -16.563 1.00 0.00 H new ATOM 0 HG23 VAL A 727 -15.609 17.880 -15.740 1.00 0.00 H new ATOM 254 N PHE A 728 -11.918 16.091 -13.816 1.00 0.00 N ATOM 255 CA PHE A 728 -10.550 15.758 -13.438 1.00 0.00 C ATOM 256 C PHE A 728 -10.523 14.647 -12.393 1.00 0.00 C ATOM 257 O PHE A 728 -9.527 13.937 -12.254 1.00 0.00 O ATOM 258 CB PHE A 728 -9.833 16.998 -12.899 1.00 0.00 C ATOM 259 CG PHE A 728 -9.548 18.032 -13.951 1.00 0.00 C ATOM 260 CD1 PHE A 728 -10.572 18.794 -14.486 1.00 0.00 C ATOM 261 CD2 PHE A 728 -8.254 18.240 -14.401 1.00 0.00 C ATOM 262 CE1 PHE A 728 -10.312 19.747 -15.454 1.00 0.00 C ATOM 263 CE2 PHE A 728 -7.988 19.191 -15.368 1.00 0.00 C ATOM 264 CZ PHE A 728 -9.019 19.945 -15.895 1.00 0.00 C ATOM 0 H PHE A 728 -12.267 16.961 -13.414 1.00 0.00 H new ATOM 0 HA PHE A 728 -10.032 15.403 -14.329 1.00 0.00 H new ATOM 0 HB2 PHE A 728 -10.442 17.448 -12.115 1.00 0.00 H new ATOM 0 HB3 PHE A 728 -8.894 16.693 -12.437 1.00 0.00 H new ATOM 0 HD1 PHE A 728 -11.585 18.643 -14.144 1.00 0.00 H new ATOM 0 HD2 PHE A 728 -7.445 17.653 -13.992 1.00 0.00 H new ATOM 0 HE1 PHE A 728 -11.119 20.335 -15.864 1.00 0.00 H new ATOM 0 HE2 PHE A 728 -6.976 19.345 -15.711 1.00 0.00 H new ATOM 0 HZ PHE A 728 -8.813 20.688 -16.651 1.00 0.00 H new ATOM 274 N TYR A 729 -11.624 14.499 -11.659 1.00 0.00 N ATOM 275 CA TYR A 729 -11.724 13.474 -10.626 1.00 0.00 C ATOM 276 C TYR A 729 -11.428 12.090 -11.197 1.00 0.00 C ATOM 277 O TYR A 729 -10.939 11.207 -10.490 1.00 0.00 O ATOM 278 CB TYR A 729 -13.117 13.490 -9.994 1.00 0.00 C ATOM 279 CG TYR A 729 -13.151 12.938 -8.589 1.00 0.00 C ATOM 280 CD1 TYR A 729 -12.406 13.523 -7.573 1.00 0.00 C ATOM 281 CD2 TYR A 729 -13.929 11.830 -8.275 1.00 0.00 C ATOM 282 CE1 TYR A 729 -12.434 13.020 -6.286 1.00 0.00 C ATOM 283 CE2 TYR A 729 -13.963 11.322 -6.991 1.00 0.00 C ATOM 284 CZ TYR A 729 -13.214 11.920 -6.000 1.00 0.00 C ATOM 285 OH TYR A 729 -13.245 11.415 -4.720 1.00 0.00 O ATOM 0 H TYR A 729 -12.458 15.077 -11.762 1.00 0.00 H new ATOM 0 HA TYR A 729 -10.982 13.696 -9.859 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -13.489 14.514 -9.982 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -13.797 12.911 -10.619 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -11.794 14.386 -7.793 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -14.517 11.358 -9.048 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -11.848 13.486 -5.508 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -14.573 10.460 -6.764 1.00 0.00 H new ATOM 0 HH TYR A 729 -13.844 10.640 -4.688 1.00 0.00 H new ATOM 295 N ASN A 730 -11.727 11.905 -12.479 1.00 0.00 N ATOM 296 CA ASN A 730 -11.492 10.629 -13.143 1.00 0.00 C ATOM 297 C ASN A 730 -11.831 10.716 -14.627 1.00 0.00 C ATOM 298 O ASN A 730 -12.976 10.980 -14.998 1.00 0.00 O ATOM 299 CB ASN A 730 -12.320 9.526 -12.482 1.00 0.00 C ATOM 300 CG ASN A 730 -13.810 9.788 -12.573 1.00 0.00 C ATOM 301 OD1 ASN A 730 -14.438 9.526 -13.600 1.00 0.00 O ATOM 302 ND2 ASN A 730 -14.387 10.311 -11.496 1.00 0.00 N ATOM 0 H ASN A 730 -12.133 12.624 -13.079 1.00 0.00 H new ATOM 0 HA ASN A 730 -10.434 10.387 -13.045 1.00 0.00 H new ATOM 0 HB2 ASN A 730 -12.092 8.571 -12.956 1.00 0.00 H new ATOM 0 HB3 ASN A 730 -12.033 9.438 -11.434 1.00 0.00 H new ATOM 0 HD21 ASN A 730 -15.387 10.511 -11.499 1.00 0.00 H new ATOM 0 HD22 ASN A 730 -13.830 10.513 -10.666 1.00 0.00 H new ATOM 309 N THR A 731 -10.830 10.492 -15.472 1.00 0.00 N ATOM 310 CA THR A 731 -11.023 10.544 -16.916 1.00 0.00 C ATOM 311 C THR A 731 -9.877 9.846 -17.644 1.00 0.00 C ATOM 312 O THR A 731 -10.056 8.770 -18.214 1.00 0.00 O ATOM 313 CB THR A 731 -11.131 11.996 -17.385 1.00 0.00 C ATOM 314 OG1 THR A 731 -10.431 12.860 -16.506 1.00 0.00 O ATOM 315 CG2 THR A 731 -12.558 12.491 -17.476 1.00 0.00 C ATOM 0 H THR A 731 -9.877 10.273 -15.181 1.00 0.00 H new ATOM 0 HA THR A 731 -11.951 10.023 -17.152 1.00 0.00 H new ATOM 0 HB THR A 731 -10.695 12.010 -18.384 1.00 0.00 H new ATOM 0 HG1 THR A 731 -11.068 13.449 -16.051 1.00 0.00 H new ATOM 0 HG21 THR A 731 -12.563 13.527 -17.814 1.00 0.00 H new ATOM 0 HG22 THR A 731 -13.112 11.875 -18.185 1.00 0.00 H new ATOM 0 HG23 THR A 731 -13.028 12.427 -16.495 1.00 0.00 H new ATOM 323 N LYS A 732 -8.704 10.467 -17.620 1.00 0.00 N ATOM 324 CA LYS A 732 -7.527 9.906 -18.277 1.00 0.00 C ATOM 325 C LYS A 732 -7.195 8.524 -17.715 1.00 0.00 C ATOM 326 O LYS A 732 -6.749 8.403 -16.573 1.00 0.00 O ATOM 327 CB LYS A 732 -6.329 10.840 -18.102 1.00 0.00 C ATOM 328 CG LYS A 732 -6.441 12.129 -18.899 1.00 0.00 C ATOM 329 CD LYS A 732 -5.124 12.890 -18.914 1.00 0.00 C ATOM 330 CE LYS A 732 -5.349 14.389 -19.018 1.00 0.00 C ATOM 331 NZ LYS A 732 -4.366 15.158 -18.207 1.00 0.00 N ATOM 0 H LYS A 732 -8.541 11.359 -17.153 1.00 0.00 H new ATOM 0 HA LYS A 732 -7.749 9.802 -19.339 1.00 0.00 H new ATOM 0 HB2 LYS A 732 -6.221 11.084 -17.045 1.00 0.00 H new ATOM 0 HB3 LYS A 732 -5.422 10.315 -18.402 1.00 0.00 H new ATOM 0 HG2 LYS A 732 -6.743 11.901 -19.921 1.00 0.00 H new ATOM 0 HG3 LYS A 732 -7.221 12.757 -18.469 1.00 0.00 H new ATOM 0 HD2 LYS A 732 -4.563 12.667 -18.006 1.00 0.00 H new ATOM 0 HD3 LYS A 732 -4.517 12.553 -19.754 1.00 0.00 H new ATOM 0 HE2 LYS A 732 -5.276 14.695 -20.062 1.00 0.00 H new ATOM 0 HE3 LYS A 732 -6.359 14.628 -18.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 -4.555 16.176 -18.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 -4.452 14.886 -17.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 -3.403 14.951 -18.540 1.00 0.00 H new ATOM 345 N PRO A 733 -7.405 7.458 -18.509 1.00 0.00 N ATOM 346 CA PRO A 733 -7.121 6.086 -18.075 1.00 0.00 C ATOM 347 C PRO A 733 -5.625 5.813 -17.956 1.00 0.00 C ATOM 348 O PRO A 733 -5.175 5.163 -17.012 1.00 0.00 O ATOM 349 CB PRO A 733 -7.733 5.227 -19.185 1.00 0.00 C ATOM 350 CG PRO A 733 -7.718 6.102 -20.389 1.00 0.00 C ATOM 351 CD PRO A 733 -7.933 7.503 -19.887 1.00 0.00 C ATOM 0 HA PRO A 733 -7.528 5.881 -17.085 1.00 0.00 H new ATOM 0 HB2 PRO A 733 -7.153 4.318 -19.348 1.00 0.00 H new ATOM 0 HB3 PRO A 733 -8.747 4.917 -18.933 1.00 0.00 H new ATOM 0 HG2 PRO A 733 -6.769 6.019 -20.920 1.00 0.00 H new ATOM 0 HG3 PRO A 733 -8.502 5.814 -21.090 1.00 0.00 H new ATOM 0 HD2 PRO A 733 -7.402 8.234 -20.497 1.00 0.00 H new ATOM 0 HD3 PRO A 733 -8.987 7.779 -19.904 1.00 0.00 H new ATOM 359 N TYR A 734 -4.859 6.317 -18.919 1.00 0.00 N ATOM 360 CA TYR A 734 -3.413 6.128 -18.921 1.00 0.00 C ATOM 361 C TYR A 734 -2.732 7.126 -17.989 1.00 0.00 C ATOM 362 O TYR A 734 -2.493 8.275 -18.361 1.00 0.00 O ATOM 363 CB TYR A 734 -2.861 6.279 -20.340 1.00 0.00 C ATOM 364 CG TYR A 734 -3.535 5.380 -21.352 1.00 0.00 C ATOM 365 CD1 TYR A 734 -3.565 4.003 -21.174 1.00 0.00 C ATOM 366 CD2 TYR A 734 -4.140 5.909 -22.485 1.00 0.00 C ATOM 367 CE1 TYR A 734 -4.179 3.177 -22.097 1.00 0.00 C ATOM 368 CE2 TYR A 734 -4.756 5.091 -23.412 1.00 0.00 C ATOM 369 CZ TYR A 734 -4.774 3.727 -23.214 1.00 0.00 C ATOM 370 OH TYR A 734 -5.387 2.910 -24.135 1.00 0.00 O ATOM 0 H TYR A 734 -5.215 6.858 -19.707 1.00 0.00 H new ATOM 0 HA TYR A 734 -3.202 5.121 -18.561 1.00 0.00 H new ATOM 0 HB2 TYR A 734 -2.974 7.316 -20.656 1.00 0.00 H new ATOM 0 HB3 TYR A 734 -1.793 6.063 -20.330 1.00 0.00 H new ATOM 0 HD1 TYR A 734 -3.101 3.570 -20.300 1.00 0.00 H new ATOM 0 HD2 TYR A 734 -4.129 6.977 -22.644 1.00 0.00 H new ATOM 0 HE1 TYR A 734 -4.193 2.108 -21.945 1.00 0.00 H new ATOM 0 HE2 TYR A 734 -5.221 5.518 -24.288 1.00 0.00 H new ATOM 0 HH TYR A 734 -5.757 3.455 -24.861 1.00 0.00 H new ATOM 380 N LYS A 735 -2.423 6.679 -16.777 1.00 0.00 N ATOM 381 CA LYS A 735 -1.769 7.532 -15.791 1.00 0.00 C ATOM 382 C LYS A 735 -0.498 6.877 -15.262 1.00 0.00 C ATOM 383 O LYS A 735 -0.176 5.743 -15.620 1.00 0.00 O ATOM 384 CB LYS A 735 -2.723 7.832 -14.633 1.00 0.00 C ATOM 385 CG LYS A 735 -3.721 8.936 -14.939 1.00 0.00 C ATOM 386 CD LYS A 735 -3.170 10.304 -14.568 1.00 0.00 C ATOM 387 CE LYS A 735 -3.490 10.662 -13.127 1.00 0.00 C ATOM 388 NZ LYS A 735 -2.344 10.382 -12.219 1.00 0.00 N ATOM 0 H LYS A 735 -2.615 5.731 -16.453 1.00 0.00 H new ATOM 0 HA LYS A 735 -1.497 8.467 -16.280 1.00 0.00 H new ATOM 0 HB2 LYS A 735 -3.267 6.923 -14.376 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -2.140 8.113 -13.756 1.00 0.00 H new ATOM 0 HG2 LYS A 735 -3.970 8.919 -16.000 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -4.646 8.754 -14.391 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -2.090 10.314 -14.715 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -3.590 11.059 -15.233 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -3.753 11.718 -13.065 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -4.361 10.096 -12.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -2.462 10.917 -11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -2.311 9.365 -12.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -1.457 10.668 -12.681 1.00 0.00 H new ATOM 402 N HIS A 736 0.222 7.597 -14.407 1.00 0.00 N ATOM 403 CA HIS A 736 1.458 7.085 -13.829 1.00 0.00 C ATOM 404 C HIS A 736 1.199 5.815 -13.027 1.00 0.00 C ATOM 405 O HIS A 736 2.010 4.888 -13.032 1.00 0.00 O ATOM 406 CB HIS A 736 2.104 8.144 -12.935 1.00 0.00 C ATOM 407 CG HIS A 736 2.762 9.252 -13.698 1.00 0.00 C ATOM 408 ND1 HIS A 736 3.627 9.031 -14.749 1.00 0.00 N ATOM 409 CD2 HIS A 736 2.677 10.597 -13.558 1.00 0.00 C ATOM 410 CE1 HIS A 736 4.046 10.191 -15.223 1.00 0.00 C ATOM 411 NE2 HIS A 736 3.485 11.157 -14.519 1.00 0.00 N ATOM 0 H HIS A 736 -0.030 8.536 -14.100 1.00 0.00 H new ATOM 0 HA HIS A 736 2.139 6.844 -14.645 1.00 0.00 H new ATOM 0 HB2 HIS A 736 1.343 8.567 -12.279 1.00 0.00 H new ATOM 0 HB3 HIS A 736 2.845 7.665 -12.295 1.00 0.00 H new ATOM 0 HD2 HIS A 736 2.085 11.129 -12.828 1.00 0.00 H new ATOM 0 HE1 HIS A 736 4.731 10.326 -16.047 1.00 0.00 H new ATOM 0 HE2 HIS A 736 3.628 12.156 -14.665 1.00 0.00 H new ATOM 420 N ARG A 737 0.063 5.779 -12.336 1.00 0.00 N ATOM 421 CA ARG A 737 -0.303 4.622 -11.528 1.00 0.00 C ATOM 422 C ARG A 737 -1.586 3.980 -12.046 1.00 0.00 C ATOM 423 O ARG A 737 -2.687 4.352 -11.642 1.00 0.00 O ATOM 424 CB ARG A 737 -0.482 5.032 -10.065 1.00 0.00 C ATOM 425 CG ARG A 737 0.828 5.167 -9.306 1.00 0.00 C ATOM 426 CD ARG A 737 1.162 3.897 -8.542 1.00 0.00 C ATOM 427 NE ARG A 737 2.288 4.086 -7.630 1.00 0.00 N ATOM 428 CZ ARG A 737 3.562 4.093 -8.016 1.00 0.00 C ATOM 429 NH1 ARG A 737 3.876 3.921 -9.294 1.00 0.00 N ATOM 430 NH2 ARG A 737 4.524 4.272 -7.122 1.00 0.00 N ATOM 0 H ARG A 737 -0.619 6.538 -12.320 1.00 0.00 H new ATOM 0 HA ARG A 737 0.503 3.892 -11.599 1.00 0.00 H new ATOM 0 HB2 ARG A 737 -1.015 5.982 -10.025 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -1.108 4.294 -9.564 1.00 0.00 H new ATOM 0 HG2 ARG A 737 1.633 5.395 -10.005 1.00 0.00 H new ATOM 0 HG3 ARG A 737 0.763 6.004 -8.611 1.00 0.00 H new ATOM 0 HD2 ARG A 737 0.288 3.574 -7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 737 1.397 3.101 -9.248 1.00 0.00 H new ATOM 0 HE ARG A 737 2.086 4.220 -6.639 1.00 0.00 H new ATOM 0 HH11 ARG A 737 3.139 3.783 -9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 737 4.854 3.927 -9.584 1.00 0.00 H new ATOM 0 HH21 ARG A 737 4.288 4.404 -6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 737 5.500 4.277 -7.417 1.00 0.00 H new ATOM 444 N ASP A 738 -1.435 3.012 -12.947 1.00 0.00 N ATOM 445 CA ASP A 738 -2.582 2.318 -13.521 1.00 0.00 C ATOM 446 C ASP A 738 -3.298 1.484 -12.465 1.00 0.00 C ATOM 447 O ASP A 738 -4.521 1.342 -12.498 1.00 0.00 O ATOM 448 CB ASP A 738 -2.133 1.422 -14.677 1.00 0.00 C ATOM 449 CG ASP A 738 -3.282 1.039 -15.590 1.00 0.00 C ATOM 450 OD1 ASP A 738 -4.257 1.814 -15.675 1.00 0.00 O ATOM 451 OD2 ASP A 738 -3.205 -0.036 -16.222 1.00 0.00 O ATOM 0 H ASP A 738 -0.531 2.692 -13.294 1.00 0.00 H new ATOM 0 HA ASP A 738 -3.278 3.067 -13.898 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -1.368 1.938 -15.257 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -1.674 0.518 -14.276 1.00 0.00 H new ATOM 456 N ASP A 739 -2.530 0.937 -11.529 1.00 0.00 N ATOM 457 CA ASP A 739 -3.092 0.117 -10.462 1.00 0.00 C ATOM 458 C ASP A 739 -3.986 0.950 -9.550 1.00 0.00 C ATOM 459 O ASP A 739 -5.094 0.538 -9.206 1.00 0.00 O ATOM 460 CB ASP A 739 -1.972 -0.532 -9.645 1.00 0.00 C ATOM 461 CG ASP A 739 -0.982 0.485 -9.113 1.00 0.00 C ATOM 462 OD1 ASP A 739 -0.476 1.296 -9.916 1.00 0.00 O ATOM 463 OD2 ASP A 739 -0.713 0.469 -7.894 1.00 0.00 O ATOM 0 H ASP A 739 -1.517 1.047 -11.488 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.698 -0.665 -10.919 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -2.407 -1.083 -8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -1.446 -1.257 -10.266 1.00 0.00 H new ATOM 468 N ARG A 740 -3.496 2.121 -9.159 1.00 0.00 N ATOM 469 CA ARG A 740 -4.252 3.012 -8.286 1.00 0.00 C ATOM 470 C ARG A 740 -5.569 3.423 -8.937 1.00 0.00 C ATOM 471 O ARG A 740 -6.580 3.598 -8.257 1.00 0.00 O ATOM 472 CB ARG A 740 -3.426 4.255 -7.950 1.00 0.00 C ATOM 473 CG ARG A 740 -3.980 5.055 -6.783 1.00 0.00 C ATOM 474 CD ARG A 740 -3.298 6.409 -6.662 1.00 0.00 C ATOM 475 NE ARG A 740 -4.116 7.371 -5.929 1.00 0.00 N ATOM 476 CZ ARG A 740 -3.937 8.689 -5.981 1.00 0.00 C ATOM 477 NH1 ARG A 740 -2.967 9.205 -6.728 1.00 0.00 N ATOM 478 NH2 ARG A 740 -4.727 9.494 -5.284 1.00 0.00 N ATOM 0 H ARG A 740 -2.579 2.475 -9.432 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.475 2.473 -7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.405 3.951 -7.720 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -3.377 4.897 -8.829 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -5.053 5.197 -6.915 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -3.844 4.494 -5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -2.340 6.288 -6.156 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -3.086 6.798 -7.658 1.00 0.00 H new ATOM 0 HE ARG A 740 -4.869 7.012 -5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 740 -2.355 8.590 -7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 740 -2.834 10.216 -6.764 1.00 0.00 H new ATOM 0 HH21 ARG A 740 -5.472 9.103 -4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 740 -4.589 10.504 -5.324 1.00 0.00 H new ATOM 492 N LEU A 741 -5.550 3.573 -10.256 1.00 0.00 N ATOM 493 CA LEU A 741 -6.745 3.961 -10.996 1.00 0.00 C ATOM 494 C LEU A 741 -7.850 2.926 -10.818 1.00 0.00 C ATOM 495 O LEU A 741 -9.022 3.271 -10.674 1.00 0.00 O ATOM 496 CB LEU A 741 -6.421 4.131 -12.480 1.00 0.00 C ATOM 497 CG LEU A 741 -5.929 5.523 -12.881 1.00 0.00 C ATOM 498 CD1 LEU A 741 -5.373 5.507 -14.296 1.00 0.00 C ATOM 499 CD2 LEU A 741 -7.053 6.540 -12.758 1.00 0.00 C ATOM 0 H LEU A 741 -4.722 3.432 -10.835 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.096 4.914 -10.600 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.661 3.400 -12.756 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.314 3.897 -13.060 1.00 0.00 H new ATOM 0 HG LEU A 741 -5.127 5.813 -12.203 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -5.028 6.506 -14.563 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -4.538 4.808 -14.351 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -6.153 5.195 -14.990 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -6.686 7.525 -13.047 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -7.876 6.253 -13.412 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.404 6.572 -11.726 1.00 0.00 H new ATOM 511 N LEU A 742 -7.467 1.652 -10.825 1.00 0.00 N ATOM 512 CA LEU A 742 -8.425 0.566 -10.659 1.00 0.00 C ATOM 513 C LEU A 742 -9.169 0.703 -9.336 1.00 0.00 C ATOM 514 O LEU A 742 -10.356 0.395 -9.245 1.00 0.00 O ATOM 515 CB LEU A 742 -7.713 -0.787 -10.723 1.00 0.00 C ATOM 516 CG LEU A 742 -6.836 -1.000 -11.958 1.00 0.00 C ATOM 517 CD1 LEU A 742 -6.215 -2.388 -11.938 1.00 0.00 C ATOM 518 CD2 LEU A 742 -7.648 -0.796 -13.228 1.00 0.00 C ATOM 0 H LEU A 742 -6.501 1.348 -10.944 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.149 0.622 -11.472 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -7.093 -0.897 -9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.463 -1.577 -10.688 1.00 0.00 H new ATOM 0 HG LEU A 742 -6.032 -0.264 -11.941 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -5.594 -2.522 -12.824 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -5.601 -2.499 -11.045 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -7.004 -3.140 -11.931 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -7.009 -0.951 -14.097 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -8.472 -1.509 -13.251 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -8.046 0.219 -13.247 1.00 0.00 H new ATOM 530 N GLN A 743 -8.461 1.170 -8.312 1.00 0.00 N ATOM 531 CA GLN A 743 -9.055 1.351 -6.996 1.00 0.00 C ATOM 532 C GLN A 743 -10.186 2.371 -7.051 1.00 0.00 C ATOM 533 O GLN A 743 -11.267 2.145 -6.508 1.00 0.00 O ATOM 534 CB GLN A 743 -7.995 1.801 -5.989 1.00 0.00 C ATOM 535 CG GLN A 743 -7.319 0.650 -5.261 1.00 0.00 C ATOM 536 CD GLN A 743 -6.196 0.028 -6.069 1.00 0.00 C ATOM 537 OE1 GLN A 743 -5.018 0.272 -5.805 1.00 0.00 O ATOM 538 NE2 GLN A 743 -6.556 -0.779 -7.060 1.00 0.00 N ATOM 0 H GLN A 743 -7.476 1.429 -8.370 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.465 0.394 -6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.237 2.386 -6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.459 2.461 -5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.923 1.009 -4.311 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -8.061 -0.114 -5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -7.544 -0.953 -7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -5.844 -1.225 -7.638 1.00 0.00 H new ATOM 547 N ALA A 744 -9.931 3.496 -7.713 1.00 0.00 N ATOM 548 CA ALA A 744 -10.926 4.550 -7.841 1.00 0.00 C ATOM 549 C ALA A 744 -12.063 4.123 -8.761 1.00 0.00 C ATOM 550 O ALA A 744 -13.237 4.272 -8.426 1.00 0.00 O ATOM 551 CB ALA A 744 -10.280 5.829 -8.350 1.00 0.00 C ATOM 0 H ALA A 744 -9.041 3.699 -8.169 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.347 4.740 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -11.037 6.608 -8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.510 6.151 -7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -9.830 5.646 -9.326 1.00 0.00 H new ATOM 557 N LEU A 745 -11.705 3.587 -9.924 1.00 0.00 N ATOM 558 CA LEU A 745 -12.697 3.133 -10.891 1.00 0.00 C ATOM 559 C LEU A 745 -13.550 2.016 -10.300 1.00 0.00 C ATOM 560 O LEU A 745 -14.774 2.017 -10.437 1.00 0.00 O ATOM 561 CB LEU A 745 -12.011 2.646 -12.171 1.00 0.00 C ATOM 562 CG LEU A 745 -10.989 3.614 -12.771 1.00 0.00 C ATOM 563 CD1 LEU A 745 -9.851 2.849 -13.435 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.660 4.545 -13.770 1.00 0.00 C ATOM 0 H LEU A 745 -10.737 3.457 -10.219 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.345 3.975 -11.136 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.511 1.701 -11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.777 2.441 -12.919 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.572 4.216 -11.964 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.135 3.555 -13.856 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.352 2.224 -12.695 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.251 2.220 -14.231 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -10.919 5.227 -14.187 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.105 3.957 -14.573 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.438 5.119 -13.267 1.00 0.00 H new ATOM 576 N MET A 746 -12.896 1.068 -9.638 1.00 0.00 N ATOM 577 CA MET A 746 -13.594 -0.052 -9.021 1.00 0.00 C ATOM 578 C MET A 746 -14.384 0.407 -7.800 1.00 0.00 C ATOM 579 O MET A 746 -15.419 -0.169 -7.466 1.00 0.00 O ATOM 580 CB MET A 746 -12.598 -1.143 -8.619 1.00 0.00 C ATOM 581 CG MET A 746 -11.905 -1.801 -9.801 1.00 0.00 C ATOM 582 SD MET A 746 -10.443 -2.737 -9.316 1.00 0.00 S ATOM 583 CE MET A 746 -10.646 -4.217 -10.304 1.00 0.00 C ATOM 0 H MET A 746 -11.884 1.053 -9.515 1.00 0.00 H new ATOM 0 HA MET A 746 -14.293 -0.460 -9.752 1.00 0.00 H new ATOM 0 HB2 MET A 746 -11.844 -0.710 -7.962 1.00 0.00 H new ATOM 0 HB3 MET A 746 -13.121 -1.907 -8.044 1.00 0.00 H new ATOM 0 HG2 MET A 746 -12.607 -2.466 -10.304 1.00 0.00 H new ATOM 0 HG3 MET A 746 -11.619 -1.035 -10.522 1.00 0.00 H new ATOM 0 HE1 MET A 746 -9.816 -4.898 -10.114 1.00 0.00 H new ATOM 0 HE2 MET A 746 -11.584 -4.705 -10.039 1.00 0.00 H new ATOM 0 HE3 MET A 746 -10.662 -3.950 -11.361 1.00 0.00 H new ATOM 593 N ASP A 747 -13.889 1.448 -7.137 1.00 0.00 N ATOM 594 CA ASP A 747 -14.553 1.985 -5.954 1.00 0.00 C ATOM 595 C ASP A 747 -15.950 2.488 -6.296 1.00 0.00 C ATOM 596 O ASP A 747 -16.903 2.259 -5.551 1.00 0.00 O ATOM 597 CB ASP A 747 -13.722 3.118 -5.348 1.00 0.00 C ATOM 598 CG ASP A 747 -12.778 2.630 -4.267 1.00 0.00 C ATOM 599 OD1 ASP A 747 -12.455 1.423 -4.262 1.00 0.00 O ATOM 600 OD2 ASP A 747 -12.362 3.453 -3.425 1.00 0.00 O ATOM 0 H ASP A 747 -13.032 1.936 -7.398 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.646 1.182 -5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -13.147 3.604 -6.136 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -14.390 3.871 -4.930 1.00 0.00 H new ATOM 605 N ILE A 748 -16.066 3.176 -7.426 1.00 0.00 N ATOM 606 CA ILE A 748 -17.347 3.712 -7.869 1.00 0.00 C ATOM 607 C ILE A 748 -18.358 2.594 -8.102 1.00 0.00 C ATOM 608 O ILE A 748 -19.506 2.681 -7.668 1.00 0.00 O ATOM 609 CB ILE A 748 -17.197 4.533 -9.165 1.00 0.00 C ATOM 610 CG1 ILE A 748 -16.087 5.576 -9.012 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.514 5.205 -9.523 1.00 0.00 C ATOM 612 CD1 ILE A 748 -15.214 5.715 -10.239 1.00 0.00 C ATOM 0 H ILE A 748 -15.287 3.376 -8.053 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.708 4.366 -7.075 1.00 0.00 H new ATOM 0 HB ILE A 748 -16.924 3.856 -9.974 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -16.537 6.543 -8.785 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -15.462 5.307 -8.160 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.391 5.781 -10.440 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.282 4.445 -9.671 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -18.814 5.871 -8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -14.450 6.471 -10.058 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -14.735 4.760 -10.455 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -15.827 6.014 -11.089 1.00 0.00 H new ATOM 624 N LEU A 749 -17.921 1.545 -8.790 1.00 0.00 N ATOM 625 CA LEU A 749 -18.788 0.408 -9.083 1.00 0.00 C ATOM 626 C LEU A 749 -19.257 -0.265 -7.797 1.00 0.00 C ATOM 627 O LEU A 749 -20.356 -0.816 -7.738 1.00 0.00 O ATOM 628 CB LEU A 749 -18.056 -0.604 -9.965 1.00 0.00 C ATOM 629 CG LEU A 749 -18.935 -1.333 -10.983 1.00 0.00 C ATOM 630 CD1 LEU A 749 -18.140 -1.661 -12.236 1.00 0.00 C ATOM 631 CD2 LEU A 749 -19.520 -2.598 -10.374 1.00 0.00 C ATOM 0 H LEU A 749 -16.973 1.458 -9.155 1.00 0.00 H new ATOM 0 HA LEU A 749 -19.663 0.779 -9.617 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -17.260 -0.087 -10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -17.580 -1.345 -9.323 1.00 0.00 H new ATOM 0 HG LEU A 749 -19.758 -0.674 -11.261 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -18.782 -2.179 -12.949 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -17.771 -0.739 -12.684 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -17.297 -2.301 -11.975 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -20.142 -3.103 -11.113 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -18.712 -3.261 -10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -20.126 -2.337 -9.506 1.00 0.00 H new ATOM 643 N ASN A 750 -18.416 -0.216 -6.769 1.00 0.00 N ATOM 644 CA ASN A 750 -18.743 -0.823 -5.483 1.00 0.00 C ATOM 645 C ASN A 750 -20.003 -0.199 -4.893 1.00 0.00 C ATOM 646 O ASN A 750 -20.760 -0.858 -4.179 1.00 0.00 O ATOM 647 CB ASN A 750 -17.576 -0.662 -4.507 1.00 0.00 C ATOM 648 CG ASN A 750 -17.410 -1.867 -3.603 1.00 0.00 C ATOM 649 OD1 ASN A 750 -18.389 -2.479 -3.178 1.00 0.00 O ATOM 650 ND2 ASN A 750 -16.163 -2.213 -3.301 1.00 0.00 N ATOM 0 H ASN A 750 -17.503 0.238 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 750 -18.926 -1.885 -5.647 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.655 -0.503 -5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -17.736 0.227 -3.897 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -15.989 -3.014 -2.695 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -15.380 -1.677 -3.676 1.00 0.00 H new ATOM 657 N GLU A 751 -20.223 1.078 -5.192 1.00 0.00 N ATOM 658 CA GLU A 751 -21.388 1.792 -4.692 1.00 0.00 C ATOM 659 C GLU A 751 -22.590 1.592 -5.611 1.00 0.00 C ATOM 660 O GLU A 751 -23.215 2.559 -6.051 1.00 0.00 O ATOM 661 CB GLU A 751 -21.075 3.283 -4.552 1.00 0.00 C ATOM 662 CG GLU A 751 -20.413 3.644 -3.233 1.00 0.00 C ATOM 663 CD GLU A 751 -20.435 5.135 -2.960 1.00 0.00 C ATOM 664 OE1 GLU A 751 -19.547 5.847 -3.476 1.00 0.00 O ATOM 665 OE2 GLU A 751 -21.338 5.594 -2.228 1.00 0.00 O ATOM 0 H GLU A 751 -19.606 1.639 -5.780 1.00 0.00 H new ATOM 0 HA GLU A 751 -21.638 1.387 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -20.424 3.587 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -22.000 3.851 -4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -20.920 3.122 -2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -19.380 3.295 -3.241 1.00 0.00 H new ATOM 672 N GLU A 752 -22.910 0.334 -5.897 1.00 0.00 N ATOM 673 CA GLU A 752 -24.038 0.009 -6.762 1.00 0.00 C ATOM 674 C GLU A 752 -24.223 -1.501 -6.871 1.00 0.00 C ATOM 675 O GLU A 752 -23.794 -2.120 -7.843 1.00 0.00 O ATOM 676 CB GLU A 752 -23.831 0.611 -8.154 1.00 0.00 C ATOM 677 CG GLU A 752 -24.996 0.370 -9.099 1.00 0.00 C ATOM 678 CD GLU A 752 -24.646 0.675 -10.544 1.00 0.00 C ATOM 679 OE1 GLU A 752 -23.469 0.500 -10.919 1.00 0.00 O ATOM 680 OE2 GLU A 752 -25.553 1.087 -11.299 1.00 0.00 O ATOM 0 H GLU A 752 -22.404 -0.477 -5.542 1.00 0.00 H new ATOM 0 HA GLU A 752 -24.938 0.436 -6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -23.669 1.684 -8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -22.926 0.191 -8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -25.316 -0.669 -9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -25.840 0.989 -8.795 1.00 0.00 H new ATOM 687 N ASN A 753 -24.866 -2.086 -5.866 1.00 0.00 N ATOM 688 CA ASN A 753 -25.109 -3.524 -5.848 1.00 0.00 C ATOM 689 C ASN A 753 -26.605 -3.823 -5.863 1.00 0.00 C ATOM 690 O ASN A 753 -27.052 -4.552 -6.774 1.00 0.00 O ATOM 691 CB ASN A 753 -24.463 -4.157 -4.613 1.00 0.00 C ATOM 692 CG ASN A 753 -24.191 -5.637 -4.798 1.00 0.00 C ATOM 693 OD1 ASN A 753 -24.833 -6.301 -5.611 1.00 0.00 O ATOM 694 ND2 ASN A 753 -23.232 -6.160 -4.043 1.00 0.00 N ATOM 695 OXT ASN A 753 -27.316 -3.327 -4.964 1.00 0.00 O ATOM 0 H ASN A 753 -25.228 -1.587 -5.054 1.00 0.00 H new ATOM 0 HA ASN A 753 -24.661 -3.954 -6.744 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -23.527 -3.643 -4.392 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -25.116 -4.015 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -23.002 -7.150 -4.124 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -22.725 -5.571 -3.382 1.00 0.00 H new TER 702 ASN A 753