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 180:sc= 0 USER MOD Single : A 712 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 716 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 719 SER OG : rot -52:sc= 0.352 USER MOD Single : A 721 TYR OH : rot 180:sc= 0 USER MOD Single : A 722 SER OG : rot -50:sc= 0.185 USER MOD Single : A 724 TYR OH : rot 67:sc= 1.04 USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 730 ASN : amide:sc= 0.764 K(o=0.76,f=-5.4!) 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 X(o=0,f=0) USER MOD Single : A 743 GLN : amide:sc=-0.00113 X(o=-0.0011,f=-0.25) USER MOD Single : A 746 MET CE :methyl 177:sc= -2.09 (180deg=-2.34) USER MOD Single : A 750 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.29) USER MOD Single : A 753 ASN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 -2.805 -18.402 -30.929 1.00 0.00 N ATOM 2 CA SER A 711 -2.603 -17.343 -29.906 1.00 0.00 C ATOM 3 C SER A 711 -3.508 -16.144 -30.168 1.00 0.00 C ATOM 4 O SER A 711 -4.277 -15.732 -29.301 1.00 0.00 O ATOM 5 CB SER A 711 -1.136 -16.915 -29.931 1.00 0.00 C ATOM 6 OG SER A 711 -0.860 -15.973 -28.908 1.00 0.00 O ATOM 0 HA SER A 711 -2.861 -17.739 -28.924 1.00 0.00 H new ATOM 0 HB2 SER A 711 -0.497 -17.789 -29.806 1.00 0.00 H new ATOM 0 HB3 SER A 711 -0.897 -16.482 -30.902 1.00 0.00 H new ATOM 0 HG SER A 711 0.085 -15.717 -28.945 1.00 0.00 H new ATOM 14 N LYS A 712 -3.407 -15.586 -31.370 1.00 0.00 N ATOM 15 CA LYS A 712 -4.216 -14.431 -31.746 1.00 0.00 C ATOM 16 C LYS A 712 -3.936 -13.248 -30.829 1.00 0.00 C ATOM 17 O LYS A 712 -4.539 -13.118 -29.764 1.00 0.00 O ATOM 18 CB LYS A 712 -5.703 -14.788 -31.700 1.00 0.00 C ATOM 19 CG LYS A 712 -6.535 -14.069 -32.749 1.00 0.00 C ATOM 20 CD LYS A 712 -7.856 -14.781 -32.995 1.00 0.00 C ATOM 21 CE LYS A 712 -8.249 -14.734 -34.463 1.00 0.00 C ATOM 22 NZ LYS A 712 -7.724 -15.906 -35.217 1.00 0.00 N ATOM 0 H LYS A 712 -2.774 -15.914 -32.100 1.00 0.00 H new ATOM 0 HA LYS A 712 -3.949 -14.147 -32.764 1.00 0.00 H new ATOM 0 HB2 LYS A 712 -5.814 -15.864 -31.835 1.00 0.00 H new ATOM 0 HB3 LYS A 712 -6.095 -14.549 -30.711 1.00 0.00 H new ATOM 0 HG2 LYS A 712 -6.726 -13.046 -32.425 1.00 0.00 H new ATOM 0 HG3 LYS A 712 -5.974 -14.008 -33.681 1.00 0.00 H new ATOM 0 HD2 LYS A 712 -7.777 -15.819 -32.671 1.00 0.00 H new ATOM 0 HD3 LYS A 712 -8.638 -14.318 -32.393 1.00 0.00 H new ATOM 0 HE2 LYS A 712 -9.335 -14.705 -34.547 1.00 0.00 H new ATOM 0 HE3 LYS A 712 -7.870 -13.815 -34.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 -8.014 -15.836 -36.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 -6.686 -15.920 -35.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 -8.105 -16.782 -34.806 1.00 0.00 H new ATOM 36 N LEU A 713 -3.017 -12.384 -31.249 1.00 0.00 N ATOM 37 CA LEU A 713 -2.656 -11.210 -30.464 1.00 0.00 C ATOM 38 C LEU A 713 -3.321 -9.956 -31.023 1.00 0.00 C ATOM 39 O LEU A 713 -2.938 -9.457 -32.081 1.00 0.00 O ATOM 40 CB LEU A 713 -1.137 -11.029 -30.445 1.00 0.00 C ATOM 41 CG LEU A 713 -0.386 -11.956 -29.486 1.00 0.00 C ATOM 42 CD1 LEU A 713 1.083 -12.046 -29.871 1.00 0.00 C ATOM 43 CD2 LEU A 713 -0.536 -11.471 -28.053 1.00 0.00 C ATOM 0 H LEU A 713 -2.509 -12.475 -32.129 1.00 0.00 H new ATOM 0 HA LEU A 713 -3.009 -11.364 -29.444 1.00 0.00 H new ATOM 0 HB2 LEU A 713 -0.755 -11.188 -31.453 1.00 0.00 H new ATOM 0 HB3 LEU A 713 -0.913 -9.996 -30.178 1.00 0.00 H new ATOM 0 HG LEU A 713 -0.820 -12.953 -29.559 1.00 0.00 H new ATOM 0 HD11 LEU A 713 1.601 -12.709 -29.178 1.00 0.00 H new ATOM 0 HD12 LEU A 713 1.170 -12.440 -30.884 1.00 0.00 H new ATOM 0 HD13 LEU A 713 1.532 -11.054 -29.827 1.00 0.00 H new ATOM 0 HD21 LEU A 713 0.004 -12.141 -27.384 1.00 0.00 H new ATOM 0 HD22 LEU A 713 -0.128 -10.464 -27.965 1.00 0.00 H new ATOM 0 HD23 LEU A 713 -1.592 -11.460 -27.781 1.00 0.00 H new ATOM 55 N GLU A 714 -4.320 -9.453 -30.305 1.00 0.00 N ATOM 56 CA GLU A 714 -5.040 -8.257 -30.730 1.00 0.00 C ATOM 57 C GLU A 714 -5.653 -7.537 -29.533 1.00 0.00 C ATOM 58 O GLU A 714 -6.503 -8.086 -28.834 1.00 0.00 O ATOM 59 CB GLU A 714 -6.133 -8.624 -31.734 1.00 0.00 C ATOM 60 CG GLU A 714 -7.168 -9.590 -31.180 1.00 0.00 C ATOM 61 CD GLU A 714 -8.105 -10.117 -32.249 1.00 0.00 C ATOM 62 OE1 GLU A 714 -8.731 -9.295 -32.948 1.00 0.00 O ATOM 63 OE2 GLU A 714 -8.210 -11.354 -32.388 1.00 0.00 O ATOM 0 H GLU A 714 -4.649 -9.854 -29.427 1.00 0.00 H new ATOM 0 HA GLU A 714 -4.328 -7.585 -31.209 1.00 0.00 H new ATOM 0 HB2 GLU A 714 -6.636 -7.714 -32.060 1.00 0.00 H new ATOM 0 HB3 GLU A 714 -5.671 -9.066 -32.616 1.00 0.00 H new ATOM 0 HG2 GLU A 714 -6.659 -10.428 -30.703 1.00 0.00 H new ATOM 0 HG3 GLU A 714 -7.750 -9.089 -30.407 1.00 0.00 H new ATOM 70 N GLY A 715 -5.214 -6.304 -29.303 1.00 0.00 N ATOM 71 CA GLY A 715 -5.730 -5.529 -28.190 1.00 0.00 C ATOM 72 C GLY A 715 -4.998 -4.214 -28.010 1.00 0.00 C ATOM 73 O GLY A 715 -4.128 -3.865 -28.808 1.00 0.00 O ATOM 0 H GLY A 715 -4.510 -5.828 -29.867 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -6.790 -5.332 -28.349 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -5.648 -6.115 -27.275 1.00 0.00 H new ATOM 77 N SER A 716 -5.351 -3.483 -26.958 1.00 0.00 N ATOM 78 CA SER A 716 -4.722 -2.197 -26.675 1.00 0.00 C ATOM 79 C SER A 716 -4.934 -1.222 -27.828 1.00 0.00 C ATOM 80 O SER A 716 -4.085 -0.373 -28.100 1.00 0.00 O ATOM 81 CB SER A 716 -3.226 -2.384 -26.418 1.00 0.00 C ATOM 82 OG SER A 716 -2.960 -3.657 -25.857 1.00 0.00 O ATOM 0 H SER A 716 -6.069 -3.758 -26.287 1.00 0.00 H new ATOM 0 HA SER A 716 -5.188 -1.781 -25.782 1.00 0.00 H new ATOM 0 HB2 SER A 716 -2.677 -2.273 -27.353 1.00 0.00 H new ATOM 0 HB3 SER A 716 -2.869 -1.605 -25.745 1.00 0.00 H new ATOM 0 HG SER A 716 -1.997 -3.752 -25.704 1.00 0.00 H new ATOM 88 N GLU A 717 -6.071 -1.349 -28.503 1.00 0.00 N ATOM 89 CA GLU A 717 -6.395 -0.478 -29.628 1.00 0.00 C ATOM 90 C GLU A 717 -7.898 -0.231 -29.710 1.00 0.00 C ATOM 91 O GLU A 717 -8.596 -0.849 -30.513 1.00 0.00 O ATOM 92 CB GLU A 717 -5.895 -1.094 -30.936 1.00 0.00 C ATOM 93 CG GLU A 717 -4.472 -0.700 -31.288 1.00 0.00 C ATOM 94 CD GLU A 717 -4.410 0.486 -32.232 1.00 0.00 C ATOM 95 OE1 GLU A 717 -4.604 1.627 -31.764 1.00 0.00 O ATOM 96 OE2 GLU A 717 -4.166 0.272 -33.439 1.00 0.00 O ATOM 0 H GLU A 717 -6.784 -2.047 -28.291 1.00 0.00 H new ATOM 0 HA GLU A 717 -5.897 0.479 -29.471 1.00 0.00 H new ATOM 0 HB2 GLU A 717 -5.955 -2.180 -30.863 1.00 0.00 H new ATOM 0 HB3 GLU A 717 -6.558 -0.792 -31.747 1.00 0.00 H new ATOM 0 HG2 GLU A 717 -3.929 -0.460 -30.374 1.00 0.00 H new ATOM 0 HG3 GLU A 717 -3.966 -1.550 -31.746 1.00 0.00 H new ATOM 103 N ASP A 718 -8.389 0.676 -28.872 1.00 0.00 N ATOM 104 CA ASP A 718 -9.809 1.006 -28.850 1.00 0.00 C ATOM 105 C ASP A 718 -10.042 2.444 -29.305 1.00 0.00 C ATOM 106 O ASP A 718 -9.195 3.315 -29.103 1.00 0.00 O ATOM 107 CB ASP A 718 -10.378 0.807 -27.444 1.00 0.00 C ATOM 108 CG ASP A 718 -11.800 0.279 -27.465 1.00 0.00 C ATOM 109 OD1 ASP A 718 -11.983 -0.921 -27.761 1.00 0.00 O ATOM 110 OD2 ASP A 718 -12.730 1.064 -27.186 1.00 0.00 O ATOM 0 H ASP A 718 -7.825 1.195 -28.200 1.00 0.00 H new ATOM 0 HA ASP A 718 -10.322 0.337 -29.541 1.00 0.00 H new ATOM 0 HB2 ASP A 718 -9.744 0.113 -26.893 1.00 0.00 H new ATOM 0 HB3 ASP A 718 -10.353 1.755 -26.907 1.00 0.00 H new ATOM 115 N SER A 719 -11.194 2.686 -29.920 1.00 0.00 N ATOM 116 CA SER A 719 -11.539 4.018 -30.403 1.00 0.00 C ATOM 117 C SER A 719 -13.050 4.226 -30.393 1.00 0.00 C ATOM 118 O SER A 719 -13.599 4.906 -31.260 1.00 0.00 O ATOM 119 CB SER A 719 -10.993 4.225 -31.818 1.00 0.00 C ATOM 120 OG SER A 719 -11.069 5.588 -32.198 1.00 0.00 O ATOM 0 H SER A 719 -11.905 1.977 -30.096 1.00 0.00 H new ATOM 0 HA SER A 719 -11.086 4.750 -29.734 1.00 0.00 H new ATOM 0 HB2 SER A 719 -9.957 3.888 -31.865 1.00 0.00 H new ATOM 0 HB3 SER A 719 -11.559 3.615 -32.523 1.00 0.00 H new ATOM 0 HG SER A 719 -11.979 5.919 -32.049 1.00 0.00 H new ATOM 126 N LEU A 720 -13.717 3.638 -29.406 1.00 0.00 N ATOM 127 CA LEU A 720 -15.165 3.760 -29.283 1.00 0.00 C ATOM 128 C LEU A 720 -15.558 5.166 -28.841 1.00 0.00 C ATOM 129 O LEU A 720 -16.310 5.856 -29.530 1.00 0.00 O ATOM 130 CB LEU A 720 -15.700 2.731 -28.285 1.00 0.00 C ATOM 131 CG LEU A 720 -16.028 1.360 -28.881 1.00 0.00 C ATOM 132 CD1 LEU A 720 -17.223 1.456 -29.815 1.00 0.00 C ATOM 133 CD2 LEU A 720 -14.819 0.798 -29.614 1.00 0.00 C ATOM 0 H LEU A 720 -13.278 3.072 -28.680 1.00 0.00 H new ATOM 0 HA LEU A 720 -15.605 3.571 -30.262 1.00 0.00 H new ATOM 0 HB2 LEU A 720 -14.963 2.599 -27.493 1.00 0.00 H new ATOM 0 HB3 LEU A 720 -16.600 3.133 -27.820 1.00 0.00 H new ATOM 0 HG LEU A 720 -16.284 0.681 -28.067 1.00 0.00 H new ATOM 0 HD11 LEU A 720 -17.441 0.472 -30.229 1.00 0.00 H new ATOM 0 HD12 LEU A 720 -18.090 1.817 -29.261 1.00 0.00 H new ATOM 0 HD13 LEU A 720 -16.996 2.149 -30.626 1.00 0.00 H new ATOM 0 HD21 LEU A 720 -15.068 -0.177 -30.032 1.00 0.00 H new ATOM 0 HD22 LEU A 720 -14.534 1.476 -30.419 1.00 0.00 H new ATOM 0 HD23 LEU A 720 -13.988 0.692 -28.917 1.00 0.00 H new ATOM 145 N TYR A 721 -15.043 5.584 -27.689 1.00 0.00 N ATOM 146 CA TYR A 721 -15.341 6.909 -27.156 1.00 0.00 C ATOM 147 C TYR A 721 -14.061 7.626 -26.738 1.00 0.00 C ATOM 148 O TYR A 721 -13.801 7.813 -25.549 1.00 0.00 O ATOM 149 CB TYR A 721 -16.293 6.799 -25.965 1.00 0.00 C ATOM 150 CG TYR A 721 -17.755 6.802 -26.354 1.00 0.00 C ATOM 151 CD1 TYR A 721 -18.286 5.786 -27.139 1.00 0.00 C ATOM 152 CD2 TYR A 721 -18.603 7.821 -25.937 1.00 0.00 C ATOM 153 CE1 TYR A 721 -19.621 5.785 -27.497 1.00 0.00 C ATOM 154 CE2 TYR A 721 -19.938 7.827 -26.291 1.00 0.00 C ATOM 155 CZ TYR A 721 -20.442 6.807 -27.072 1.00 0.00 C ATOM 156 OH TYR A 721 -21.772 6.810 -27.426 1.00 0.00 O ATOM 0 H TYR A 721 -14.418 5.026 -27.107 1.00 0.00 H new ATOM 0 HA TYR A 721 -15.822 7.492 -27.942 1.00 0.00 H new ATOM 0 HB2 TYR A 721 -16.073 5.882 -25.419 1.00 0.00 H new ATOM 0 HB3 TYR A 721 -16.106 7.629 -25.283 1.00 0.00 H new ATOM 0 HD1 TYR A 721 -17.645 4.984 -27.475 1.00 0.00 H new ATOM 0 HD2 TYR A 721 -18.212 8.621 -25.326 1.00 0.00 H new ATOM 0 HE1 TYR A 721 -20.019 4.987 -28.107 1.00 0.00 H new ATOM 0 HE2 TYR A 721 -20.584 8.626 -25.958 1.00 0.00 H new ATOM 0 HH TYR A 721 -22.210 7.599 -27.044 1.00 0.00 H new ATOM 166 N SER A 722 -13.265 8.029 -27.723 1.00 0.00 N ATOM 167 CA SER A 722 -12.011 8.728 -27.459 1.00 0.00 C ATOM 168 C SER A 722 -12.247 9.983 -26.623 1.00 0.00 C ATOM 169 O SER A 722 -11.350 10.445 -25.919 1.00 0.00 O ATOM 170 CB SER A 722 -11.324 9.100 -28.774 1.00 0.00 C ATOM 171 OG SER A 722 -9.914 9.114 -28.628 1.00 0.00 O ATOM 0 H SER A 722 -13.466 7.884 -28.712 1.00 0.00 H new ATOM 0 HA SER A 722 -11.364 8.056 -26.895 1.00 0.00 H new ATOM 0 HB2 SER A 722 -11.605 8.387 -29.549 1.00 0.00 H new ATOM 0 HB3 SER A 722 -11.668 10.081 -29.103 1.00 0.00 H new ATOM 0 HG SER A 722 -9.671 9.656 -27.848 1.00 0.00 H new ATOM 177 N ASP A 723 -13.457 10.528 -26.703 1.00 0.00 N ATOM 178 CA ASP A 723 -13.804 11.728 -25.948 1.00 0.00 C ATOM 179 C ASP A 723 -13.773 11.450 -24.449 1.00 0.00 C ATOM 180 O ASP A 723 -13.049 12.106 -23.699 1.00 0.00 O ATOM 181 CB ASP A 723 -15.190 12.231 -26.357 1.00 0.00 C ATOM 182 CG ASP A 723 -15.282 12.527 -27.841 1.00 0.00 C ATOM 183 OD1 ASP A 723 -15.068 11.598 -28.647 1.00 0.00 O ATOM 184 OD2 ASP A 723 -15.567 13.691 -28.198 1.00 0.00 O ATOM 0 H ASP A 723 -14.212 10.159 -27.281 1.00 0.00 H new ATOM 0 HA ASP A 723 -13.066 12.498 -26.174 1.00 0.00 H new ATOM 0 HB2 ASP A 723 -15.938 11.484 -26.091 1.00 0.00 H new ATOM 0 HB3 ASP A 723 -15.427 13.134 -25.794 1.00 0.00 H new ATOM 189 N TYR A 724 -14.562 10.470 -24.019 1.00 0.00 N ATOM 190 CA TYR A 724 -14.625 10.098 -22.612 1.00 0.00 C ATOM 191 C TYR A 724 -13.311 9.464 -22.162 1.00 0.00 C ATOM 192 O TYR A 724 -12.912 9.592 -21.005 1.00 0.00 O ATOM 193 CB TYR A 724 -15.796 9.134 -22.378 1.00 0.00 C ATOM 194 CG TYR A 724 -15.605 8.206 -21.199 1.00 0.00 C ATOM 195 CD1 TYR A 724 -14.857 7.044 -21.324 1.00 0.00 C ATOM 196 CD2 TYR A 724 -16.168 8.496 -19.962 1.00 0.00 C ATOM 197 CE1 TYR A 724 -14.674 6.194 -20.251 1.00 0.00 C ATOM 198 CE2 TYR A 724 -15.990 7.653 -18.884 1.00 0.00 C ATOM 199 CZ TYR A 724 -15.242 6.503 -19.032 1.00 0.00 C ATOM 200 OH TYR A 724 -15.063 5.660 -17.959 1.00 0.00 O ATOM 0 H TYR A 724 -15.167 9.919 -24.627 1.00 0.00 H new ATOM 0 HA TYR A 724 -14.786 10.998 -22.019 1.00 0.00 H new ATOM 0 HB2 TYR A 724 -16.706 9.715 -22.226 1.00 0.00 H new ATOM 0 HB3 TYR A 724 -15.946 8.536 -23.277 1.00 0.00 H new ATOM 0 HD1 TYR A 724 -14.410 6.800 -22.277 1.00 0.00 H new ATOM 0 HD2 TYR A 724 -16.754 9.395 -19.842 1.00 0.00 H new ATOM 0 HE1 TYR A 724 -14.090 5.293 -20.365 1.00 0.00 H new ATOM 0 HE2 TYR A 724 -16.434 7.892 -17.929 1.00 0.00 H new ATOM 0 HH TYR A 724 -14.121 5.669 -17.690 1.00 0.00 H new ATOM 210 N VAL A 725 -12.647 8.779 -23.085 1.00 0.00 N ATOM 211 CA VAL A 725 -11.381 8.120 -22.787 1.00 0.00 C ATOM 212 C VAL A 725 -10.232 9.126 -22.761 1.00 0.00 C ATOM 213 O VAL A 725 -9.267 8.961 -22.016 1.00 0.00 O ATOM 214 CB VAL A 725 -11.077 7.015 -23.820 1.00 0.00 C ATOM 215 CG1 VAL A 725 -9.677 6.446 -23.625 1.00 0.00 C ATOM 216 CG2 VAL A 725 -12.124 5.913 -23.737 1.00 0.00 C ATOM 0 H VAL A 725 -12.965 8.665 -24.048 1.00 0.00 H new ATOM 0 HA VAL A 725 -11.474 7.666 -21.800 1.00 0.00 H new ATOM 0 HB VAL A 725 -11.117 7.460 -24.814 1.00 0.00 H new ATOM 0 HG11 VAL A 725 -9.493 5.670 -24.368 1.00 0.00 H new ATOM 0 HG12 VAL A 725 -8.941 7.242 -23.742 1.00 0.00 H new ATOM 0 HG13 VAL A 725 -9.594 6.019 -22.626 1.00 0.00 H new ATOM 0 HG21 VAL A 725 -11.897 5.140 -24.471 1.00 0.00 H new ATOM 0 HG22 VAL A 725 -12.116 5.478 -22.738 1.00 0.00 H new ATOM 0 HG23 VAL A 725 -13.109 6.331 -23.943 1.00 0.00 H new ATOM 226 N ASP A 726 -10.345 10.170 -23.576 1.00 0.00 N ATOM 227 CA ASP A 726 -9.317 11.202 -23.642 1.00 0.00 C ATOM 228 C ASP A 726 -9.115 11.856 -22.278 1.00 0.00 C ATOM 229 O ASP A 726 -8.035 12.360 -21.975 1.00 0.00 O ATOM 230 CB ASP A 726 -9.693 12.262 -24.680 1.00 0.00 C ATOM 231 CG ASP A 726 -9.084 11.983 -26.039 1.00 0.00 C ATOM 232 OD1 ASP A 726 -8.716 10.817 -26.296 1.00 0.00 O ATOM 233 OD2 ASP A 726 -8.974 12.930 -26.846 1.00 0.00 O ATOM 0 H ASP A 726 -11.138 10.323 -24.199 1.00 0.00 H new ATOM 0 HA ASP A 726 -8.381 10.729 -23.940 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -10.778 12.306 -24.773 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -9.363 13.241 -24.331 1.00 0.00 H new ATOM 238 N VAL A 727 -10.164 11.844 -21.461 1.00 0.00 N ATOM 239 CA VAL A 727 -10.101 12.437 -20.130 1.00 0.00 C ATOM 240 C VAL A 727 -9.224 11.608 -19.198 1.00 0.00 C ATOM 241 O VAL A 727 -8.629 12.135 -18.257 1.00 0.00 O ATOM 242 CB VAL A 727 -11.504 12.571 -19.509 1.00 0.00 C ATOM 243 CG1 VAL A 727 -11.442 13.368 -18.215 1.00 0.00 C ATOM 244 CG2 VAL A 727 -12.465 13.215 -20.496 1.00 0.00 C ATOM 0 H VAL A 727 -11.066 11.431 -21.697 1.00 0.00 H new ATOM 0 HA VAL A 727 -9.665 13.429 -20.247 1.00 0.00 H new ATOM 0 HB VAL A 727 -11.875 11.573 -19.275 1.00 0.00 H new ATOM 0 HG11 VAL A 727 -12.443 13.452 -17.791 1.00 0.00 H new ATOM 0 HG12 VAL A 727 -10.789 12.860 -17.506 1.00 0.00 H new ATOM 0 HG13 VAL A 727 -11.050 14.364 -18.420 1.00 0.00 H new ATOM 0 HG21 VAL A 727 -13.451 13.302 -20.040 1.00 0.00 H new ATOM 0 HG22 VAL A 727 -12.101 14.207 -20.764 1.00 0.00 H new ATOM 0 HG23 VAL A 727 -12.533 12.599 -21.393 1.00 0.00 H new ATOM 254 N PHE A 728 -9.145 10.308 -19.465 1.00 0.00 N ATOM 255 CA PHE A 728 -8.339 9.406 -18.649 1.00 0.00 C ATOM 256 C PHE A 728 -6.860 9.527 -19.003 1.00 0.00 C ATOM 257 O PHE A 728 -5.991 9.279 -18.168 1.00 0.00 O ATOM 258 CB PHE A 728 -8.805 7.963 -18.836 1.00 0.00 C ATOM 259 CG PHE A 728 -10.163 7.689 -18.255 1.00 0.00 C ATOM 260 CD1 PHE A 728 -11.307 8.136 -18.896 1.00 0.00 C ATOM 261 CD2 PHE A 728 -10.295 6.985 -17.069 1.00 0.00 C ATOM 262 CE1 PHE A 728 -12.557 7.887 -18.363 1.00 0.00 C ATOM 263 CE2 PHE A 728 -11.544 6.733 -16.533 1.00 0.00 C ATOM 264 CZ PHE A 728 -12.676 7.184 -17.180 1.00 0.00 C ATOM 0 H PHE A 728 -9.629 9.855 -20.240 1.00 0.00 H new ATOM 0 HA PHE A 728 -8.467 9.688 -17.604 1.00 0.00 H new ATOM 0 HB2 PHE A 728 -8.821 7.730 -19.901 1.00 0.00 H new ATOM 0 HB3 PHE A 728 -8.080 7.293 -18.374 1.00 0.00 H new ATOM 0 HD1 PHE A 728 -11.221 8.685 -19.822 1.00 0.00 H new ATOM 0 HD2 PHE A 728 -9.413 6.629 -16.558 1.00 0.00 H new ATOM 0 HE1 PHE A 728 -13.441 8.242 -18.871 1.00 0.00 H new ATOM 0 HE2 PHE A 728 -11.634 6.183 -15.608 1.00 0.00 H new ATOM 0 HZ PHE A 728 -13.653 6.988 -16.763 1.00 0.00 H new ATOM 274 N TYR A 729 -6.581 9.906 -20.247 1.00 0.00 N ATOM 275 CA TYR A 729 -5.207 10.058 -20.710 1.00 0.00 C ATOM 276 C TYR A 729 -4.449 11.062 -19.849 1.00 0.00 C ATOM 277 O TYR A 729 -3.246 10.921 -19.627 1.00 0.00 O ATOM 278 CB TYR A 729 -5.186 10.504 -22.173 1.00 0.00 C ATOM 279 CG TYR A 729 -5.119 9.358 -23.157 1.00 0.00 C ATOM 280 CD1 TYR A 729 -6.269 8.688 -23.553 1.00 0.00 C ATOM 281 CD2 TYR A 729 -3.903 8.946 -23.688 1.00 0.00 C ATOM 282 CE1 TYR A 729 -6.212 7.640 -24.451 1.00 0.00 C ATOM 283 CE2 TYR A 729 -3.836 7.898 -24.588 1.00 0.00 C ATOM 284 CZ TYR A 729 -4.993 7.249 -24.966 1.00 0.00 C ATOM 285 OH TYR A 729 -4.931 6.205 -25.860 1.00 0.00 O ATOM 0 H TYR A 729 -7.289 10.113 -20.952 1.00 0.00 H new ATOM 0 HA TYR A 729 -4.713 9.090 -20.625 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -6.080 11.094 -22.377 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -4.329 11.158 -22.332 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -7.225 8.992 -23.152 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -2.996 9.452 -23.393 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -7.116 7.130 -24.748 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -2.883 7.590 -24.993 1.00 0.00 H new ATOM 0 HH TYR A 729 -4.000 6.058 -26.127 1.00 0.00 H new ATOM 295 N ASN A 730 -5.159 12.075 -19.365 1.00 0.00 N ATOM 296 CA ASN A 730 -4.553 13.103 -18.526 1.00 0.00 C ATOM 297 C ASN A 730 -3.434 13.823 -19.272 1.00 0.00 C ATOM 298 O ASN A 730 -3.267 13.650 -20.478 1.00 0.00 O ATOM 299 CB ASN A 730 -4.009 12.484 -17.237 1.00 0.00 C ATOM 300 CG ASN A 730 -4.248 13.365 -16.028 1.00 0.00 C ATOM 301 OD1 ASN A 730 -3.815 14.516 -15.987 1.00 0.00 O ATOM 302 ND2 ASN A 730 -4.942 12.826 -15.031 1.00 0.00 N ATOM 0 H ASN A 730 -6.155 12.207 -19.539 1.00 0.00 H new ATOM 0 HA ASN A 730 -5.323 13.832 -18.273 1.00 0.00 H new ATOM 0 HB2 ASN A 730 -4.480 11.514 -17.076 1.00 0.00 H new ATOM 0 HB3 ASN A 730 -2.940 12.304 -17.347 1.00 0.00 H new ATOM 0 HD21 ASN A 730 -5.134 13.371 -14.190 1.00 0.00 H new ATOM 0 HD22 ASN A 730 -5.283 11.868 -15.106 1.00 0.00 H new ATOM 309 N THR A 731 -2.670 14.633 -18.544 1.00 0.00 N ATOM 310 CA THR A 731 -1.567 15.380 -19.136 1.00 0.00 C ATOM 311 C THR A 731 -0.321 14.508 -19.255 1.00 0.00 C ATOM 312 O THR A 731 0.272 14.396 -20.328 1.00 0.00 O ATOM 313 CB THR A 731 -1.257 16.622 -18.300 1.00 0.00 C ATOM 314 OG1 THR A 731 -2.409 17.435 -18.164 1.00 0.00 O ATOM 315 CG2 THR A 731 -0.155 17.478 -18.885 1.00 0.00 C ATOM 0 H THR A 731 -2.795 14.788 -17.544 1.00 0.00 H new ATOM 0 HA THR A 731 -1.868 15.691 -20.137 1.00 0.00 H new ATOM 0 HB THR A 731 -0.925 16.244 -17.333 1.00 0.00 H new ATOM 0 HG1 THR A 731 -2.191 18.224 -17.625 1.00 0.00 H new ATOM 0 HG21 THR A 731 0.014 18.342 -18.243 1.00 0.00 H new ATOM 0 HG22 THR A 731 0.762 16.893 -18.955 1.00 0.00 H new ATOM 0 HG23 THR A 731 -0.446 17.817 -19.879 1.00 0.00 H new ATOM 323 N LYS A 732 0.071 13.892 -18.144 1.00 0.00 N ATOM 324 CA LYS A 732 1.247 13.030 -18.123 1.00 0.00 C ATOM 325 C LYS A 732 1.013 11.808 -17.238 1.00 0.00 C ATOM 326 O LYS A 732 0.175 11.836 -16.336 1.00 0.00 O ATOM 327 CB LYS A 732 2.467 13.808 -17.625 1.00 0.00 C ATOM 328 CG LYS A 732 2.944 14.877 -18.594 1.00 0.00 C ATOM 329 CD LYS A 732 3.826 15.902 -17.901 1.00 0.00 C ATOM 330 CE LYS A 732 4.395 16.907 -18.889 1.00 0.00 C ATOM 331 NZ LYS A 732 4.858 18.151 -18.214 1.00 0.00 N ATOM 0 H LYS A 732 -0.408 13.974 -17.247 1.00 0.00 H new ATOM 0 HA LYS A 732 1.433 12.688 -19.141 1.00 0.00 H new ATOM 0 HB2 LYS A 732 2.224 14.276 -16.671 1.00 0.00 H new ATOM 0 HB3 LYS A 732 3.282 13.109 -17.438 1.00 0.00 H new ATOM 0 HG2 LYS A 732 3.498 14.410 -19.409 1.00 0.00 H new ATOM 0 HG3 LYS A 732 2.083 15.377 -19.039 1.00 0.00 H new ATOM 0 HD2 LYS A 732 3.248 16.426 -17.140 1.00 0.00 H new ATOM 0 HD3 LYS A 732 4.642 15.393 -17.387 1.00 0.00 H new ATOM 0 HE2 LYS A 732 5.228 16.455 -19.427 1.00 0.00 H new ATOM 0 HE3 LYS A 732 3.635 17.157 -19.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 5.239 18.810 -18.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 4.058 18.597 -17.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 5.601 17.916 -17.525 1.00 0.00 H new ATOM 345 N PRO A 733 1.754 10.713 -17.487 1.00 0.00 N ATOM 346 CA PRO A 733 1.622 9.478 -16.707 1.00 0.00 C ATOM 347 C PRO A 733 2.154 9.630 -15.286 1.00 0.00 C ATOM 348 O PRO A 733 1.741 8.907 -14.379 1.00 0.00 O ATOM 349 CB PRO A 733 2.470 8.473 -17.490 1.00 0.00 C ATOM 350 CG PRO A 733 3.470 9.304 -18.213 1.00 0.00 C ATOM 351 CD PRO A 733 2.775 10.596 -18.543 1.00 0.00 C ATOM 0 HA PRO A 733 0.580 9.179 -16.590 1.00 0.00 H new ATOM 0 HB2 PRO A 733 2.955 7.760 -16.823 1.00 0.00 H new ATOM 0 HB3 PRO A 733 1.859 7.895 -18.184 1.00 0.00 H new ATOM 0 HG2 PRO A 733 4.350 9.481 -17.595 1.00 0.00 H new ATOM 0 HG3 PRO A 733 3.812 8.803 -19.118 1.00 0.00 H new ATOM 0 HD2 PRO A 733 3.466 11.439 -18.529 1.00 0.00 H new ATOM 0 HD3 PRO A 733 2.325 10.568 -19.536 1.00 0.00 H new ATOM 359 N TYR A 734 3.071 10.575 -15.098 1.00 0.00 N ATOM 360 CA TYR A 734 3.660 10.823 -13.785 1.00 0.00 C ATOM 361 C TYR A 734 4.481 9.623 -13.320 1.00 0.00 C ATOM 362 O TYR A 734 5.709 9.636 -13.391 1.00 0.00 O ATOM 363 CB TYR A 734 2.567 11.141 -12.760 1.00 0.00 C ATOM 364 CG TYR A 734 2.386 12.621 -12.509 1.00 0.00 C ATOM 365 CD1 TYR A 734 3.431 13.395 -12.020 1.00 0.00 C ATOM 366 CD2 TYR A 734 1.169 13.243 -12.758 1.00 0.00 C ATOM 367 CE1 TYR A 734 3.268 14.747 -11.788 1.00 0.00 C ATOM 368 CE2 TYR A 734 0.999 14.595 -12.530 1.00 0.00 C ATOM 369 CZ TYR A 734 2.051 15.343 -12.044 1.00 0.00 C ATOM 370 OH TYR A 734 1.885 16.689 -11.815 1.00 0.00 O ATOM 0 H TYR A 734 3.423 11.182 -15.838 1.00 0.00 H new ATOM 0 HA TYR A 734 4.325 11.682 -13.871 1.00 0.00 H new ATOM 0 HB2 TYR A 734 1.622 10.721 -13.106 1.00 0.00 H new ATOM 0 HB3 TYR A 734 2.809 10.648 -11.818 1.00 0.00 H new ATOM 0 HD1 TYR A 734 4.386 12.932 -11.818 1.00 0.00 H new ATOM 0 HD2 TYR A 734 0.342 12.660 -13.136 1.00 0.00 H new ATOM 0 HE1 TYR A 734 4.090 15.335 -11.408 1.00 0.00 H new ATOM 0 HE2 TYR A 734 0.047 15.064 -12.731 1.00 0.00 H new ATOM 0 HH TYR A 734 0.970 16.950 -12.048 1.00 0.00 H new ATOM 380 N LYS A 735 3.795 8.588 -12.846 1.00 0.00 N ATOM 381 CA LYS A 735 4.462 7.382 -12.371 1.00 0.00 C ATOM 382 C LYS A 735 3.595 6.151 -12.605 1.00 0.00 C ATOM 383 O LYS A 735 3.640 5.190 -11.836 1.00 0.00 O ATOM 384 CB LYS A 735 4.794 7.511 -10.883 1.00 0.00 C ATOM 385 CG LYS A 735 6.125 6.881 -10.499 1.00 0.00 C ATOM 386 CD LYS A 735 7.292 7.789 -10.851 1.00 0.00 C ATOM 387 CE LYS A 735 8.578 7.324 -10.186 1.00 0.00 C ATOM 388 NZ LYS A 735 9.419 8.470 -9.741 1.00 0.00 N ATOM 0 H LYS A 735 2.777 8.561 -12.781 1.00 0.00 H new ATOM 0 HA LYS A 735 5.387 7.263 -12.935 1.00 0.00 H new ATOM 0 HB2 LYS A 735 4.810 8.567 -10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 735 3.999 7.045 -10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 735 6.135 6.672 -9.429 1.00 0.00 H new ATOM 0 HG3 LYS A 735 6.238 5.926 -11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 735 7.426 7.808 -11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 735 7.068 8.809 -10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 735 8.337 6.696 -9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 735 9.145 6.707 -10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 10.286 8.111 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 9.671 9.055 -10.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 8.888 9.045 -9.056 1.00 0.00 H new ATOM 402 N HIS A 736 2.804 6.184 -13.674 1.00 0.00 N ATOM 403 CA HIS A 736 1.925 5.069 -14.009 1.00 0.00 C ATOM 404 C HIS A 736 0.930 4.803 -12.886 1.00 0.00 C ATOM 405 O HIS A 736 1.216 4.047 -11.956 1.00 0.00 O ATOM 406 CB HIS A 736 2.748 3.811 -14.288 1.00 0.00 C ATOM 407 CG HIS A 736 3.160 3.670 -15.720 1.00 0.00 C ATOM 408 ND1 HIS A 736 3.801 4.669 -16.421 1.00 0.00 N ATOM 409 CD2 HIS A 736 3.020 2.637 -16.585 1.00 0.00 C ATOM 410 CE1 HIS A 736 4.037 4.258 -17.655 1.00 0.00 C ATOM 411 NE2 HIS A 736 3.573 3.028 -17.780 1.00 0.00 N ATOM 0 H HIS A 736 2.754 6.970 -14.322 1.00 0.00 H new ATOM 0 HA HIS A 736 1.367 5.336 -14.906 1.00 0.00 H new ATOM 0 HB2 HIS A 736 3.640 3.824 -13.662 1.00 0.00 H new ATOM 0 HB3 HIS A 736 2.167 2.935 -13.998 1.00 0.00 H new ATOM 0 HD2 HIS A 736 2.559 1.683 -16.374 1.00 0.00 H new ATOM 0 HE1 HIS A 736 4.526 4.831 -18.429 1.00 0.00 H new ATOM 0 HE2 HIS A 736 3.618 2.461 -18.626 1.00 0.00 H new ATOM 420 N ARG A 737 -0.239 5.427 -12.977 1.00 0.00 N ATOM 421 CA ARG A 737 -1.277 5.256 -11.967 1.00 0.00 C ATOM 422 C ARG A 737 -2.331 4.256 -12.433 1.00 0.00 C ATOM 423 O ARG A 737 -3.518 4.413 -12.150 1.00 0.00 O ATOM 424 CB ARG A 737 -1.937 6.601 -11.650 1.00 0.00 C ATOM 425 CG ARG A 737 -2.365 6.744 -10.201 1.00 0.00 C ATOM 426 CD ARG A 737 -2.521 8.203 -9.807 1.00 0.00 C ATOM 427 NE ARG A 737 -3.857 8.711 -10.110 1.00 0.00 N ATOM 428 CZ ARG A 737 -4.943 8.413 -9.400 1.00 0.00 C ATOM 429 NH1 ARG A 737 -4.856 7.611 -8.347 1.00 0.00 N ATOM 430 NH2 ARG A 737 -6.119 8.919 -9.745 1.00 0.00 N ATOM 0 H ARG A 737 -0.492 6.056 -13.739 1.00 0.00 H new ATOM 0 HA ARG A 737 -0.808 4.867 -11.063 1.00 0.00 H new ATOM 0 HB2 ARG A 737 -1.241 7.404 -11.895 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -2.809 6.728 -12.291 1.00 0.00 H new ATOM 0 HG2 ARG A 737 -3.309 6.222 -10.046 1.00 0.00 H new ATOM 0 HG3 ARG A 737 -1.628 6.268 -9.554 1.00 0.00 H new ATOM 0 HD2 ARG A 737 -2.324 8.314 -8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 737 -1.777 8.802 -10.332 1.00 0.00 H new ATOM 0 HE ARG A 737 -3.964 9.331 -10.913 1.00 0.00 H new ATOM 0 HH11 ARG A 737 -3.954 7.219 -8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 737 -5.691 7.386 -7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 737 -6.191 9.536 -10.554 1.00 0.00 H new ATOM 0 HH22 ARG A 737 -6.952 8.691 -9.201 1.00 0.00 H new ATOM 444 N ASP A 738 -1.886 3.229 -13.148 1.00 0.00 N ATOM 445 CA ASP A 738 -2.790 2.201 -13.654 1.00 0.00 C ATOM 446 C ASP A 738 -3.397 1.399 -12.509 1.00 0.00 C ATOM 447 O ASP A 738 -4.604 1.155 -12.478 1.00 0.00 O ATOM 448 CB ASP A 738 -2.049 1.266 -14.611 1.00 0.00 C ATOM 449 CG ASP A 738 -0.855 0.600 -13.958 1.00 0.00 C ATOM 450 OD1 ASP A 738 -0.271 1.201 -13.032 1.00 0.00 O ATOM 451 OD2 ASP A 738 -0.502 -0.524 -14.374 1.00 0.00 O ATOM 0 H ASP A 738 -0.906 3.085 -13.391 1.00 0.00 H new ATOM 0 HA ASP A 738 -3.597 2.696 -14.194 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -2.736 0.501 -14.972 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -1.716 1.831 -15.481 1.00 0.00 H new ATOM 456 N ASP A 739 -2.554 0.991 -11.566 1.00 0.00 N ATOM 457 CA ASP A 739 -3.007 0.216 -10.417 1.00 0.00 C ATOM 458 C ASP A 739 -3.928 1.045 -9.529 1.00 0.00 C ATOM 459 O ASP A 739 -5.018 0.607 -9.166 1.00 0.00 O ATOM 460 CB ASP A 739 -1.809 -0.283 -9.606 1.00 0.00 C ATOM 461 CG ASP A 739 -2.034 -1.669 -9.035 1.00 0.00 C ATOM 462 OD1 ASP A 739 -1.772 -2.656 -9.753 1.00 0.00 O ATOM 463 OD2 ASP A 739 -2.471 -1.766 -7.870 1.00 0.00 O ATOM 0 H ASP A 739 -1.553 1.185 -11.575 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.567 -0.642 -10.789 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -0.923 -0.294 -10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -1.609 0.414 -8.792 1.00 0.00 H new ATOM 468 N ARG A 740 -3.480 2.248 -9.183 1.00 0.00 N ATOM 469 CA ARG A 740 -4.265 3.140 -8.337 1.00 0.00 C ATOM 470 C ARG A 740 -5.600 3.475 -8.990 1.00 0.00 C ATOM 471 O ARG A 740 -6.607 3.663 -8.308 1.00 0.00 O ATOM 472 CB ARG A 740 -3.484 4.425 -8.053 1.00 0.00 C ATOM 473 CG ARG A 740 -2.576 4.330 -6.838 1.00 0.00 C ATOM 474 CD ARG A 740 -1.259 3.655 -7.180 1.00 0.00 C ATOM 475 NE ARG A 740 -0.620 3.072 -6.002 1.00 0.00 N ATOM 476 CZ ARG A 740 0.606 2.552 -6.004 1.00 0.00 C ATOM 477 NH1 ARG A 740 1.328 2.542 -7.117 1.00 0.00 N ATOM 478 NH2 ARG A 740 1.110 2.042 -4.889 1.00 0.00 N ATOM 0 H ARG A 740 -2.579 2.627 -9.475 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.462 2.627 -7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.882 4.675 -8.927 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -4.189 5.244 -7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -2.383 5.329 -6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -3.079 3.771 -6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -1.433 2.875 -7.921 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -0.586 4.382 -7.635 1.00 0.00 H new ATOM 0 HE ARG A 740 -1.144 3.063 -5.127 1.00 0.00 H new ATOM 0 HH11 ARG A 740 0.945 2.934 -7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 740 2.266 2.142 -7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 740 0.559 2.048 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 740 2.049 1.643 -4.889 1.00 0.00 H new ATOM 492 N LEU A 741 -5.604 3.548 -10.318 1.00 0.00 N ATOM 493 CA LEU A 741 -6.818 3.856 -11.061 1.00 0.00 C ATOM 494 C LEU A 741 -7.892 2.805 -10.804 1.00 0.00 C ATOM 495 O LEU A 741 -9.061 3.132 -10.607 1.00 0.00 O ATOM 496 CB LEU A 741 -6.516 3.947 -12.561 1.00 0.00 C ATOM 497 CG LEU A 741 -6.550 5.361 -13.143 1.00 0.00 C ATOM 498 CD1 LEU A 741 -7.948 5.949 -13.034 1.00 0.00 C ATOM 499 CD2 LEU A 741 -5.539 6.252 -12.436 1.00 0.00 C ATOM 0 H LEU A 741 -4.780 3.398 -10.900 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.192 4.821 -10.717 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.531 3.518 -12.744 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.237 3.331 -13.099 1.00 0.00 H new ATOM 0 HG LEU A 741 -6.282 5.306 -14.198 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -7.953 6.955 -13.453 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -8.650 5.323 -13.585 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -8.244 5.991 -11.986 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -5.576 7.254 -12.863 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -5.777 6.301 -11.373 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -4.538 5.840 -12.565 1.00 0.00 H new ATOM 511 N LEU A 742 -7.483 1.540 -10.799 1.00 0.00 N ATOM 512 CA LEU A 742 -8.412 0.440 -10.559 1.00 0.00 C ATOM 513 C LEU A 742 -9.118 0.614 -9.220 1.00 0.00 C ATOM 514 O LEU A 742 -10.294 0.279 -9.078 1.00 0.00 O ATOM 515 CB LEU A 742 -7.670 -0.898 -10.589 1.00 0.00 C ATOM 516 CG LEU A 742 -7.538 -1.534 -11.974 1.00 0.00 C ATOM 517 CD1 LEU A 742 -6.539 -2.681 -11.942 1.00 0.00 C ATOM 518 CD2 LEU A 742 -8.893 -2.018 -12.469 1.00 0.00 C ATOM 0 H LEU A 742 -6.518 1.251 -10.958 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.161 0.447 -11.350 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -6.672 -0.752 -10.176 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.187 -1.598 -9.932 1.00 0.00 H new ATOM 0 HG LEU A 742 -7.169 -0.778 -12.667 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -6.458 -3.121 -12.936 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -5.564 -2.306 -11.631 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -6.878 -3.439 -11.236 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -8.781 -2.468 -13.456 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -9.290 -2.759 -11.776 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -9.580 -1.174 -12.531 1.00 0.00 H new ATOM 530 N GLN A 743 -8.394 1.144 -8.240 1.00 0.00 N ATOM 531 CA GLN A 743 -8.954 1.368 -6.913 1.00 0.00 C ATOM 532 C GLN A 743 -10.101 2.369 -6.976 1.00 0.00 C ATOM 533 O GLN A 743 -11.170 2.141 -6.407 1.00 0.00 O ATOM 534 CB GLN A 743 -7.871 1.870 -5.957 1.00 0.00 C ATOM 535 CG GLN A 743 -7.156 0.759 -5.210 1.00 0.00 C ATOM 536 CD GLN A 743 -5.960 0.219 -5.970 1.00 0.00 C ATOM 537 OE1 GLN A 743 -4.833 0.679 -5.783 1.00 0.00 O ATOM 538 NE2 GLN A 743 -6.198 -0.759 -6.833 1.00 0.00 N ATOM 0 H GLN A 743 -7.419 1.426 -8.340 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.341 0.420 -6.541 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.138 2.446 -6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.323 2.550 -5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.827 1.132 -4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -7.857 -0.054 -5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -7.148 -1.110 -6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -5.431 -1.160 -7.373 1.00 0.00 H new ATOM 547 N ALA A 744 -9.874 3.480 -7.670 1.00 0.00 N ATOM 548 CA ALA A 744 -10.888 4.515 -7.807 1.00 0.00 C ATOM 549 C ALA A 744 -12.034 4.048 -8.697 1.00 0.00 C ATOM 550 O ALA A 744 -13.204 4.188 -8.344 1.00 0.00 O ATOM 551 CB ALA A 744 -10.271 5.791 -8.361 1.00 0.00 C ATOM 0 H ALA A 744 -8.995 3.685 -8.146 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.294 4.723 -6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -11.042 6.556 -8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.493 6.143 -7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -9.835 5.589 -9.340 1.00 0.00 H new ATOM 557 N LEU A 745 -11.689 3.486 -9.852 1.00 0.00 N ATOM 558 CA LEU A 745 -12.691 2.994 -10.789 1.00 0.00 C ATOM 559 C LEU A 745 -13.538 1.902 -10.147 1.00 0.00 C ATOM 560 O LEU A 745 -14.763 1.904 -10.259 1.00 0.00 O ATOM 561 CB LEU A 745 -12.019 2.457 -12.057 1.00 0.00 C ATOM 562 CG LEU A 745 -11.012 3.405 -12.713 1.00 0.00 C ATOM 563 CD1 LEU A 745 -9.879 2.621 -13.361 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.707 4.287 -13.740 1.00 0.00 C ATOM 0 H LEU A 745 -10.725 3.361 -10.160 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.341 3.826 -11.059 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.510 1.525 -11.812 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.794 2.215 -12.785 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.586 4.044 -11.939 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.174 3.313 -13.822 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.365 2.031 -12.603 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.286 1.957 -14.124 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -10.978 4.956 -14.198 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.160 3.662 -14.510 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.482 4.876 -13.249 1.00 0.00 H new ATOM 576 N MET A 746 -12.875 0.970 -9.468 1.00 0.00 N ATOM 577 CA MET A 746 -13.566 -0.126 -8.802 1.00 0.00 C ATOM 578 C MET A 746 -14.383 0.386 -7.621 1.00 0.00 C ATOM 579 O MET A 746 -15.421 -0.181 -7.277 1.00 0.00 O ATOM 580 CB MET A 746 -12.562 -1.178 -8.325 1.00 0.00 C ATOM 581 CG MET A 746 -11.879 -1.925 -9.460 1.00 0.00 C ATOM 582 SD MET A 746 -12.644 -3.522 -9.798 1.00 0.00 S ATOM 583 CE MET A 746 -14.379 -3.082 -9.765 1.00 0.00 C ATOM 0 H MET A 746 -11.860 0.953 -9.365 1.00 0.00 H new ATOM 0 HA MET A 746 -14.245 -0.584 -9.521 1.00 0.00 H new ATOM 0 HB2 MET A 746 -11.803 -0.692 -7.712 1.00 0.00 H new ATOM 0 HB3 MET A 746 -13.076 -1.896 -7.686 1.00 0.00 H new ATOM 0 HG2 MET A 746 -11.909 -1.314 -10.362 1.00 0.00 H new ATOM 0 HG3 MET A 746 -10.828 -2.075 -9.211 1.00 0.00 H new ATOM 0 HE1 MET A 746 -14.981 -3.957 -10.011 1.00 0.00 H new ATOM 0 HE2 MET A 746 -14.645 -2.726 -8.770 1.00 0.00 H new ATOM 0 HE3 MET A 746 -14.569 -2.295 -10.495 1.00 0.00 H new ATOM 593 N ASP A 747 -13.909 1.462 -6.999 1.00 0.00 N ATOM 594 CA ASP A 747 -14.597 2.050 -5.856 1.00 0.00 C ATOM 595 C ASP A 747 -15.986 2.541 -6.251 1.00 0.00 C ATOM 596 O ASP A 747 -16.973 2.247 -5.578 1.00 0.00 O ATOM 597 CB ASP A 747 -13.777 3.207 -5.281 1.00 0.00 C ATOM 598 CG ASP A 747 -14.407 3.799 -4.035 1.00 0.00 C ATOM 599 OD1 ASP A 747 -15.556 4.283 -4.124 1.00 0.00 O ATOM 600 OD2 ASP A 747 -13.754 3.779 -2.972 1.00 0.00 O ATOM 0 H ASP A 747 -13.051 1.944 -7.268 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.708 1.279 -5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -12.773 2.855 -5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.672 3.985 -6.037 1.00 0.00 H new ATOM 605 N ILE A 748 -16.053 3.289 -7.348 1.00 0.00 N ATOM 606 CA ILE A 748 -17.319 3.821 -7.834 1.00 0.00 C ATOM 607 C ILE A 748 -18.285 2.696 -8.191 1.00 0.00 C ATOM 608 O ILE A 748 -19.473 2.757 -7.872 1.00 0.00 O ATOM 609 CB ILE A 748 -17.116 4.721 -9.069 1.00 0.00 C ATOM 610 CG1 ILE A 748 -16.036 5.770 -8.793 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.426 5.391 -9.457 1.00 0.00 C ATOM 612 CD1 ILE A 748 -15.075 5.965 -9.944 1.00 0.00 C ATOM 0 H ILE A 748 -15.244 3.540 -7.917 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.742 4.418 -7.026 1.00 0.00 H new ATOM 0 HB ILE A 748 -16.787 4.100 -9.902 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -16.515 6.722 -8.565 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -15.474 5.476 -7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.267 6.023 -10.331 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.169 4.629 -9.691 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -18.782 6.002 -8.627 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -14.338 6.722 -9.678 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -14.568 5.024 -10.158 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -15.626 6.289 -10.827 1.00 0.00 H new ATOM 624 N LEU A 749 -17.768 1.668 -8.856 1.00 0.00 N ATOM 625 CA LEU A 749 -18.584 0.529 -9.259 1.00 0.00 C ATOM 626 C LEU A 749 -19.167 -0.180 -8.041 1.00 0.00 C ATOM 627 O LEU A 749 -20.298 -0.666 -8.075 1.00 0.00 O ATOM 628 CB LEU A 749 -17.752 -0.454 -10.088 1.00 0.00 C ATOM 629 CG LEU A 749 -17.767 -0.202 -11.595 1.00 0.00 C ATOM 630 CD1 LEU A 749 -19.153 -0.459 -12.167 1.00 0.00 C ATOM 631 CD2 LEU A 749 -17.316 1.218 -11.903 1.00 0.00 C ATOM 0 H LEU A 749 -16.787 1.601 -9.127 1.00 0.00 H new ATOM 0 HA LEU A 749 -19.407 0.901 -9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -16.720 -0.418 -9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -18.117 -1.464 -9.900 1.00 0.00 H new ATOM 0 HG LEU A 749 -17.069 -0.894 -12.066 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -19.143 -0.274 -13.241 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -19.438 -1.494 -11.980 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -19.872 0.207 -11.691 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -17.333 1.379 -12.981 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -17.989 1.926 -11.419 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -16.303 1.367 -11.530 1.00 0.00 H new ATOM 643 N ASN A 750 -18.388 -0.236 -6.964 1.00 0.00 N ATOM 644 CA ASN A 750 -18.827 -0.884 -5.736 1.00 0.00 C ATOM 645 C ASN A 750 -20.081 -0.213 -5.185 1.00 0.00 C ATOM 646 O ASN A 750 -21.096 -0.869 -4.950 1.00 0.00 O ATOM 647 CB ASN A 750 -17.712 -0.848 -4.688 1.00 0.00 C ATOM 648 CG ASN A 750 -16.728 -1.990 -4.853 1.00 0.00 C ATOM 649 OD1 ASN A 750 -17.120 -3.148 -4.992 1.00 0.00 O ATOM 650 ND2 ASN A 750 -15.440 -1.667 -4.834 1.00 0.00 N ATOM 0 H ASN A 750 -17.449 0.160 -6.919 1.00 0.00 H new ATOM 0 HA ASN A 750 -19.064 -1.922 -5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -17.180 0.100 -4.760 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -18.152 -0.892 -3.692 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -14.731 -2.393 -4.937 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -15.160 -0.693 -4.716 1.00 0.00 H new ATOM 657 N GLU A 751 -20.003 1.097 -4.978 1.00 0.00 N ATOM 658 CA GLU A 751 -21.130 1.857 -4.454 1.00 0.00 C ATOM 659 C GLU A 751 -22.330 1.766 -5.392 1.00 0.00 C ATOM 660 O GLU A 751 -23.402 1.301 -5.003 1.00 0.00 O ATOM 661 CB GLU A 751 -20.737 3.322 -4.252 1.00 0.00 C ATOM 662 CG GLU A 751 -19.749 3.534 -3.116 1.00 0.00 C ATOM 663 CD GLU A 751 -20.308 3.111 -1.772 1.00 0.00 C ATOM 664 OE1 GLU A 751 -21.524 3.289 -1.551 1.00 0.00 O ATOM 665 OE2 GLU A 751 -19.530 2.600 -0.939 1.00 0.00 O ATOM 0 H GLU A 751 -19.170 1.654 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 751 -21.409 1.427 -3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -20.303 3.704 -5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -21.635 3.907 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -18.839 2.970 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -19.469 4.587 -3.074 1.00 0.00 H new ATOM 672 N GLU A 752 -22.143 2.214 -6.628 1.00 0.00 N ATOM 673 CA GLU A 752 -23.209 2.183 -7.624 1.00 0.00 C ATOM 674 C GLU A 752 -24.402 3.016 -7.167 1.00 0.00 C ATOM 675 O GLU A 752 -25.379 2.481 -6.642 1.00 0.00 O ATOM 676 CB GLU A 752 -23.649 0.742 -7.886 1.00 0.00 C ATOM 677 CG GLU A 752 -24.062 0.486 -9.326 1.00 0.00 C ATOM 678 CD GLU A 752 -25.103 -0.611 -9.446 1.00 0.00 C ATOM 679 OE1 GLU A 752 -24.722 -1.799 -9.384 1.00 0.00 O ATOM 680 OE2 GLU A 752 -26.297 -0.282 -9.602 1.00 0.00 O ATOM 0 H GLU A 752 -21.263 2.603 -6.965 1.00 0.00 H new ATOM 0 HA GLU A 752 -22.822 2.611 -8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -22.833 0.068 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -24.484 0.500 -7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -24.457 1.406 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -23.183 0.213 -9.910 1.00 0.00 H new ATOM 687 N ASN A 753 -24.317 4.326 -7.370 1.00 0.00 N ATOM 688 CA ASN A 753 -25.390 5.232 -6.979 1.00 0.00 C ATOM 689 C ASN A 753 -25.953 5.965 -8.192 1.00 0.00 C ATOM 690 O ASN A 753 -25.318 5.903 -9.267 1.00 0.00 O ATOM 691 CB ASN A 753 -24.883 6.244 -5.950 1.00 0.00 C ATOM 692 CG ASN A 753 -25.063 5.759 -4.525 1.00 0.00 C ATOM 693 OD1 ASN A 753 -25.677 6.435 -3.700 1.00 0.00 O ATOM 694 ND2 ASN A 753 -24.527 4.581 -4.229 1.00 0.00 N ATOM 695 OXT ASN A 753 -27.026 6.592 -8.060 1.00 0.00 O ATOM 0 H ASN A 753 -23.515 4.784 -7.803 1.00 0.00 H new ATOM 0 HA ASN A 753 -26.187 4.638 -6.533 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -23.827 6.445 -6.132 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -25.414 7.187 -6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -24.616 4.203 -3.286 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -24.026 4.054 -4.945 1.00 0.00 H new TER 702 ASN A 753