USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=12 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 -23:sc= 0.418 USER MOD Single : A 712 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.107) 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= -2.35 K(o=-2.3,f=-1.3) USER MOD Single : A 731 THR OG1 : rot -94:sc= 1.03 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+ -168:sc= -0.76 (180deg=-0.972) USER MOD Single : A 736 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 743 GLN : amide:sc= -0.315 X(o=-0.31,f=0) USER MOD Single : A 746 MET CE :methyl -140:sc= 0 (180deg=-0.0502) USER MOD Single : A 750 ASN : amide:sc= 0.408 X(o=0.41,f=0) USER MOD Single : A 753 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 -0.546 -27.124 -9.234 1.00 0.00 N ATOM 2 CA SER A 711 -1.052 -27.116 -10.632 1.00 0.00 C ATOM 3 C SER A 711 -0.503 -25.924 -11.410 1.00 0.00 C ATOM 4 O SER A 711 -0.050 -24.942 -10.822 1.00 0.00 O ATOM 5 CB SER A 711 -2.581 -27.064 -10.596 1.00 0.00 C ATOM 6 OG SER A 711 -3.038 -26.174 -9.593 1.00 0.00 O ATOM 0 HA SER A 711 -0.718 -28.021 -11.139 1.00 0.00 H new ATOM 0 HB2 SER A 711 -2.960 -26.747 -11.568 1.00 0.00 H new ATOM 0 HB3 SER A 711 -2.978 -28.062 -10.409 1.00 0.00 H new ATOM 0 HG SER A 711 -2.345 -26.069 -8.908 1.00 0.00 H new ATOM 14 N LYS A 712 -0.548 -26.019 -12.734 1.00 0.00 N ATOM 15 CA LYS A 712 -0.056 -24.947 -13.592 1.00 0.00 C ATOM 16 C LYS A 712 -0.808 -24.924 -14.920 1.00 0.00 C ATOM 17 O LYS A 712 -0.248 -24.563 -15.956 1.00 0.00 O ATOM 18 CB LYS A 712 1.444 -25.116 -13.846 1.00 0.00 C ATOM 19 CG LYS A 712 2.317 -24.487 -12.773 1.00 0.00 C ATOM 20 CD LYS A 712 3.784 -24.823 -12.981 1.00 0.00 C ATOM 21 CE LYS A 712 4.663 -24.151 -11.937 1.00 0.00 C ATOM 22 NZ LYS A 712 4.688 -22.671 -12.101 1.00 0.00 N ATOM 0 H LYS A 712 -0.919 -26.826 -13.236 1.00 0.00 H new ATOM 0 HA LYS A 712 -0.227 -24.000 -13.081 1.00 0.00 H new ATOM 0 HB2 LYS A 712 1.675 -26.179 -13.914 1.00 0.00 H new ATOM 0 HB3 LYS A 712 1.693 -24.674 -14.811 1.00 0.00 H new ATOM 0 HG2 LYS A 712 2.185 -23.405 -12.784 1.00 0.00 H new ATOM 0 HG3 LYS A 712 1.998 -24.837 -11.791 1.00 0.00 H new ATOM 0 HD2 LYS A 712 3.921 -25.903 -12.933 1.00 0.00 H new ATOM 0 HD3 LYS A 712 4.093 -24.506 -13.977 1.00 0.00 H new ATOM 0 HE2 LYS A 712 4.298 -24.400 -10.941 1.00 0.00 H new ATOM 0 HE3 LYS A 712 5.678 -24.542 -12.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 5.423 -22.266 -11.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 4.897 -22.435 -13.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 3.762 -22.277 -11.839 1.00 0.00 H new ATOM 36 N LEU A 713 -2.078 -25.312 -14.880 1.00 0.00 N ATOM 37 CA LEU A 713 -2.906 -25.337 -16.080 1.00 0.00 C ATOM 38 C LEU A 713 -4.251 -24.665 -15.827 1.00 0.00 C ATOM 39 O LEU A 713 -4.790 -24.728 -14.720 1.00 0.00 O ATOM 40 CB LEU A 713 -3.122 -26.777 -16.547 1.00 0.00 C ATOM 41 CG LEU A 713 -1.843 -27.560 -16.845 1.00 0.00 C ATOM 42 CD1 LEU A 713 -2.149 -29.041 -17.008 1.00 0.00 C ATOM 43 CD2 LEU A 713 -1.164 -27.015 -18.093 1.00 0.00 C ATOM 0 H LEU A 713 -2.556 -25.613 -14.031 1.00 0.00 H new ATOM 0 HA LEU A 713 -2.385 -24.784 -16.862 1.00 0.00 H new ATOM 0 HB2 LEU A 713 -3.686 -27.310 -15.782 1.00 0.00 H new ATOM 0 HB3 LEU A 713 -3.739 -26.763 -17.446 1.00 0.00 H new ATOM 0 HG LEU A 713 -1.162 -27.441 -16.002 1.00 0.00 H new ATOM 0 HD11 LEU A 713 -1.227 -29.582 -17.220 1.00 0.00 H new ATOM 0 HD12 LEU A 713 -2.592 -29.424 -16.089 1.00 0.00 H new ATOM 0 HD13 LEU A 713 -2.848 -29.179 -17.833 1.00 0.00 H new ATOM 0 HD21 LEU A 713 -0.255 -27.584 -18.291 1.00 0.00 H new ATOM 0 HD22 LEU A 713 -1.840 -27.104 -18.943 1.00 0.00 H new ATOM 0 HD23 LEU A 713 -0.910 -25.966 -17.940 1.00 0.00 H new ATOM 55 N GLU A 714 -4.792 -24.023 -16.856 1.00 0.00 N ATOM 56 CA GLU A 714 -6.075 -23.339 -16.745 1.00 0.00 C ATOM 57 C GLU A 714 -6.988 -23.701 -17.912 1.00 0.00 C ATOM 58 O GLU A 714 -6.528 -24.183 -18.947 1.00 0.00 O ATOM 59 CB GLU A 714 -5.867 -21.825 -16.694 1.00 0.00 C ATOM 60 CG GLU A 714 -5.057 -21.283 -17.861 1.00 0.00 C ATOM 61 CD GLU A 714 -3.621 -20.979 -17.481 1.00 0.00 C ATOM 62 OE1 GLU A 714 -2.790 -21.910 -17.510 1.00 0.00 O ATOM 63 OE2 GLU A 714 -3.327 -19.810 -17.155 1.00 0.00 O ATOM 0 H GLU A 714 -4.361 -23.962 -17.778 1.00 0.00 H new ATOM 0 HA GLU A 714 -6.553 -23.664 -15.821 1.00 0.00 H new ATOM 0 HB2 GLU A 714 -6.840 -21.333 -16.678 1.00 0.00 H new ATOM 0 HB3 GLU A 714 -5.364 -21.567 -15.762 1.00 0.00 H new ATOM 0 HG2 GLU A 714 -5.068 -22.008 -18.675 1.00 0.00 H new ATOM 0 HG3 GLU A 714 -5.530 -20.376 -18.237 1.00 0.00 H new ATOM 70 N GLY A 715 -8.284 -23.466 -17.738 1.00 0.00 N ATOM 71 CA GLY A 715 -9.239 -23.772 -18.785 1.00 0.00 C ATOM 72 C GLY A 715 -10.272 -22.677 -18.968 1.00 0.00 C ATOM 73 O GLY A 715 -11.206 -22.555 -18.175 1.00 0.00 O ATOM 0 H GLY A 715 -8.689 -23.069 -16.890 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -8.707 -23.925 -19.724 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -9.745 -24.708 -18.549 1.00 0.00 H new ATOM 77 N SER A 716 -10.104 -21.875 -20.017 1.00 0.00 N ATOM 78 CA SER A 716 -11.027 -20.785 -20.301 1.00 0.00 C ATOM 79 C SER A 716 -11.411 -20.768 -21.777 1.00 0.00 C ATOM 80 O SER A 716 -10.959 -21.608 -22.555 1.00 0.00 O ATOM 81 CB SER A 716 -10.401 -19.444 -19.910 1.00 0.00 C ATOM 82 OG SER A 716 -8.993 -19.475 -20.061 1.00 0.00 O ATOM 0 H SER A 716 -9.336 -21.962 -20.683 1.00 0.00 H new ATOM 0 HA SER A 716 -11.930 -20.943 -19.711 1.00 0.00 H new ATOM 0 HB2 SER A 716 -10.819 -18.650 -20.529 1.00 0.00 H new ATOM 0 HB3 SER A 716 -10.654 -19.209 -18.876 1.00 0.00 H new ATOM 0 HG SER A 716 -8.618 -18.606 -19.807 1.00 0.00 H new ATOM 88 N GLU A 717 -12.248 -19.807 -22.155 1.00 0.00 N ATOM 89 CA GLU A 717 -12.692 -19.681 -23.537 1.00 0.00 C ATOM 90 C GLU A 717 -11.981 -18.527 -24.235 1.00 0.00 C ATOM 91 O GLU A 717 -11.136 -17.857 -23.643 1.00 0.00 O ATOM 92 CB GLU A 717 -14.206 -19.469 -23.592 1.00 0.00 C ATOM 93 CG GLU A 717 -15.001 -20.765 -23.600 1.00 0.00 C ATOM 94 CD GLU A 717 -16.499 -20.529 -23.622 1.00 0.00 C ATOM 95 OE1 GLU A 717 -17.039 -20.038 -22.608 1.00 0.00 O ATOM 96 OE2 GLU A 717 -17.133 -20.835 -24.654 1.00 0.00 O ATOM 0 H GLU A 717 -12.632 -19.105 -21.523 1.00 0.00 H new ATOM 0 HA GLU A 717 -12.442 -20.606 -24.057 1.00 0.00 H new ATOM 0 HB2 GLU A 717 -14.512 -18.870 -22.735 1.00 0.00 H new ATOM 0 HB3 GLU A 717 -14.452 -18.896 -24.486 1.00 0.00 H new ATOM 0 HG2 GLU A 717 -14.717 -21.356 -24.471 1.00 0.00 H new ATOM 0 HG3 GLU A 717 -14.742 -21.351 -22.718 1.00 0.00 H new ATOM 103 N ASP A 718 -12.331 -18.298 -25.496 1.00 0.00 N ATOM 104 CA ASP A 718 -11.725 -17.223 -26.275 1.00 0.00 C ATOM 105 C ASP A 718 -12.746 -16.591 -27.216 1.00 0.00 C ATOM 106 O ASP A 718 -13.787 -17.181 -27.505 1.00 0.00 O ATOM 107 CB ASP A 718 -10.535 -17.753 -27.075 1.00 0.00 C ATOM 108 CG ASP A 718 -9.479 -18.386 -26.192 1.00 0.00 C ATOM 109 OD1 ASP A 718 -9.147 -17.792 -25.144 1.00 0.00 O ATOM 110 OD2 ASP A 718 -8.986 -19.478 -26.545 1.00 0.00 O ATOM 0 H ASP A 718 -13.031 -18.842 -26.001 1.00 0.00 H new ATOM 0 HA ASP A 718 -11.375 -16.458 -25.582 1.00 0.00 H new ATOM 0 HB2 ASP A 718 -10.886 -18.488 -27.799 1.00 0.00 H new ATOM 0 HB3 ASP A 718 -10.089 -16.935 -27.641 1.00 0.00 H new ATOM 115 N SER A 719 -12.440 -15.388 -27.691 1.00 0.00 N ATOM 116 CA SER A 719 -13.330 -14.676 -28.600 1.00 0.00 C ATOM 117 C SER A 719 -14.683 -14.417 -27.945 1.00 0.00 C ATOM 118 O SER A 719 -15.643 -15.156 -28.167 1.00 0.00 O ATOM 119 CB SER A 719 -13.521 -15.475 -29.891 1.00 0.00 C ATOM 120 OG SER A 719 -12.446 -15.256 -30.789 1.00 0.00 O ATOM 0 H SER A 719 -11.582 -14.886 -27.461 1.00 0.00 H new ATOM 0 HA SER A 719 -12.872 -13.716 -28.839 1.00 0.00 H new ATOM 0 HB2 SER A 719 -13.594 -16.537 -29.658 1.00 0.00 H new ATOM 0 HB3 SER A 719 -14.460 -15.188 -30.365 1.00 0.00 H new ATOM 0 HG SER A 719 -12.590 -15.779 -31.605 1.00 0.00 H new ATOM 126 N LEU A 720 -14.752 -13.364 -27.138 1.00 0.00 N ATOM 127 CA LEU A 720 -15.988 -13.006 -26.450 1.00 0.00 C ATOM 128 C LEU A 720 -15.816 -11.715 -25.657 1.00 0.00 C ATOM 129 O LEU A 720 -16.419 -10.692 -25.979 1.00 0.00 O ATOM 130 CB LEU A 720 -16.423 -14.141 -25.517 1.00 0.00 C ATOM 131 CG LEU A 720 -17.924 -14.433 -25.510 1.00 0.00 C ATOM 132 CD1 LEU A 720 -18.712 -13.172 -25.190 1.00 0.00 C ATOM 133 CD2 LEU A 720 -18.360 -15.011 -26.849 1.00 0.00 C ATOM 0 H LEU A 720 -13.967 -12.743 -26.944 1.00 0.00 H new ATOM 0 HA LEU A 720 -16.761 -12.847 -27.202 1.00 0.00 H new ATOM 0 HB2 LEU A 720 -15.893 -15.049 -25.803 1.00 0.00 H new ATOM 0 HB3 LEU A 720 -16.111 -13.896 -24.502 1.00 0.00 H new ATOM 0 HG LEU A 720 -18.128 -15.171 -24.734 1.00 0.00 H new ATOM 0 HD11 LEU A 720 -19.778 -13.399 -25.190 1.00 0.00 H new ATOM 0 HD12 LEU A 720 -18.420 -12.800 -24.208 1.00 0.00 H new ATOM 0 HD13 LEU A 720 -18.504 -12.412 -25.943 1.00 0.00 H new ATOM 0 HD21 LEU A 720 -19.431 -15.213 -26.827 1.00 0.00 H new ATOM 0 HD22 LEU A 720 -18.142 -14.296 -27.642 1.00 0.00 H new ATOM 0 HD23 LEU A 720 -17.820 -15.939 -27.038 1.00 0.00 H new ATOM 145 N TYR A 721 -14.988 -11.771 -24.617 1.00 0.00 N ATOM 146 CA TYR A 721 -14.736 -10.605 -23.778 1.00 0.00 C ATOM 147 C TYR A 721 -13.239 -10.392 -23.580 1.00 0.00 C ATOM 148 O TYR A 721 -12.801 -9.921 -22.531 1.00 0.00 O ATOM 149 CB TYR A 721 -15.425 -10.770 -22.422 1.00 0.00 C ATOM 150 CG TYR A 721 -16.799 -10.140 -22.359 1.00 0.00 C ATOM 151 CD1 TYR A 721 -17.807 -10.538 -23.227 1.00 0.00 C ATOM 152 CD2 TYR A 721 -17.087 -9.147 -21.430 1.00 0.00 C ATOM 153 CE1 TYR A 721 -19.063 -9.964 -23.174 1.00 0.00 C ATOM 154 CE2 TYR A 721 -18.341 -8.569 -21.370 1.00 0.00 C ATOM 155 CZ TYR A 721 -19.324 -8.981 -22.243 1.00 0.00 C ATOM 156 OH TYR A 721 -20.574 -8.408 -22.187 1.00 0.00 O ATOM 0 H TYR A 721 -14.481 -12.611 -24.336 1.00 0.00 H new ATOM 0 HA TYR A 721 -15.145 -9.729 -24.281 1.00 0.00 H new ATOM 0 HB2 TYR A 721 -15.511 -11.833 -22.195 1.00 0.00 H new ATOM 0 HB3 TYR A 721 -14.796 -10.329 -21.649 1.00 0.00 H new ATOM 0 HD1 TYR A 721 -17.606 -11.309 -23.956 1.00 0.00 H new ATOM 0 HD2 TYR A 721 -16.319 -8.822 -20.744 1.00 0.00 H new ATOM 0 HE1 TYR A 721 -19.836 -10.283 -23.858 1.00 0.00 H new ATOM 0 HE2 TYR A 721 -18.549 -7.798 -20.643 1.00 0.00 H new ATOM 0 HH TYR A 721 -20.593 -7.734 -21.476 1.00 0.00 H new ATOM 166 N SER A 722 -12.457 -10.741 -24.597 1.00 0.00 N ATOM 167 CA SER A 722 -11.006 -10.588 -24.537 1.00 0.00 C ATOM 168 C SER A 722 -10.618 -9.146 -24.220 1.00 0.00 C ATOM 169 O SER A 722 -9.560 -8.892 -23.649 1.00 0.00 O ATOM 170 CB SER A 722 -10.373 -11.018 -25.861 1.00 0.00 C ATOM 171 OG SER A 722 -10.649 -12.380 -26.141 1.00 0.00 O ATOM 0 H SER A 722 -12.803 -11.132 -25.473 1.00 0.00 H new ATOM 0 HA SER A 722 -10.633 -11.227 -23.737 1.00 0.00 H new ATOM 0 HB2 SER A 722 -10.753 -10.393 -26.669 1.00 0.00 H new ATOM 0 HB3 SER A 722 -9.295 -10.864 -25.819 1.00 0.00 H new ATOM 0 HG SER A 722 -10.235 -12.629 -26.993 1.00 0.00 H new ATOM 177 N ASP A 723 -11.484 -8.207 -24.590 1.00 0.00 N ATOM 178 CA ASP A 723 -11.227 -6.792 -24.339 1.00 0.00 C ATOM 179 C ASP A 723 -11.169 -6.512 -22.842 1.00 0.00 C ATOM 180 O ASP A 723 -10.177 -5.990 -22.333 1.00 0.00 O ATOM 181 CB ASP A 723 -12.310 -5.931 -24.992 1.00 0.00 C ATOM 182 CG ASP A 723 -11.832 -4.521 -25.279 1.00 0.00 C ATOM 183 OD1 ASP A 723 -11.094 -3.961 -24.440 1.00 0.00 O ATOM 184 OD2 ASP A 723 -12.194 -3.976 -26.342 1.00 0.00 O ATOM 0 H ASP A 723 -12.367 -8.399 -25.063 1.00 0.00 H new ATOM 0 HA ASP A 723 -10.262 -6.538 -24.777 1.00 0.00 H new ATOM 0 HB2 ASP A 723 -12.631 -6.399 -25.922 1.00 0.00 H new ATOM 0 HB3 ASP A 723 -13.181 -5.890 -24.338 1.00 0.00 H new ATOM 189 N TYR A 724 -12.241 -6.866 -22.141 1.00 0.00 N ATOM 190 CA TYR A 724 -12.319 -6.659 -20.701 1.00 0.00 C ATOM 191 C TYR A 724 -11.335 -7.570 -19.970 1.00 0.00 C ATOM 192 O TYR A 724 -10.816 -7.219 -18.911 1.00 0.00 O ATOM 193 CB TYR A 724 -13.752 -6.913 -20.213 1.00 0.00 C ATOM 194 CG TYR A 724 -13.840 -7.367 -18.772 1.00 0.00 C ATOM 195 CD1 TYR A 724 -13.642 -8.698 -18.431 1.00 0.00 C ATOM 196 CD2 TYR A 724 -14.117 -6.462 -17.754 1.00 0.00 C ATOM 197 CE1 TYR A 724 -13.717 -9.118 -17.120 1.00 0.00 C ATOM 198 CE2 TYR A 724 -14.193 -6.875 -16.438 1.00 0.00 C ATOM 199 CZ TYR A 724 -13.992 -8.202 -16.125 1.00 0.00 C ATOM 200 OH TYR A 724 -14.068 -8.616 -14.815 1.00 0.00 O ATOM 0 H TYR A 724 -13.070 -7.299 -22.549 1.00 0.00 H new ATOM 0 HA TYR A 724 -12.050 -5.626 -20.482 1.00 0.00 H new ATOM 0 HB2 TYR A 724 -14.333 -5.998 -20.331 1.00 0.00 H new ATOM 0 HB3 TYR A 724 -14.213 -7.668 -20.850 1.00 0.00 H new ATOM 0 HD1 TYR A 724 -13.425 -9.418 -19.207 1.00 0.00 H new ATOM 0 HD2 TYR A 724 -14.275 -5.421 -17.995 1.00 0.00 H new ATOM 0 HE1 TYR A 724 -13.561 -10.158 -16.873 1.00 0.00 H new ATOM 0 HE2 TYR A 724 -14.409 -6.161 -15.657 1.00 0.00 H new ATOM 0 HH TYR A 724 -14.268 -7.848 -14.240 1.00 0.00 H new ATOM 210 N VAL A 725 -11.088 -8.743 -20.541 1.00 0.00 N ATOM 211 CA VAL A 725 -10.172 -9.707 -19.945 1.00 0.00 C ATOM 212 C VAL A 725 -8.718 -9.308 -20.186 1.00 0.00 C ATOM 213 O VAL A 725 -7.852 -9.546 -19.344 1.00 0.00 O ATOM 214 CB VAL A 725 -10.423 -11.124 -20.506 1.00 0.00 C ATOM 215 CG1 VAL A 725 -9.349 -12.102 -20.043 1.00 0.00 C ATOM 216 CG2 VAL A 725 -11.808 -11.613 -20.104 1.00 0.00 C ATOM 0 H VAL A 725 -11.510 -9.050 -21.417 1.00 0.00 H new ATOM 0 HA VAL A 725 -10.358 -9.713 -18.871 1.00 0.00 H new ATOM 0 HB VAL A 725 -10.373 -11.071 -21.594 1.00 0.00 H new ATOM 0 HG11 VAL A 725 -9.555 -13.090 -20.455 1.00 0.00 H new ATOM 0 HG12 VAL A 725 -8.373 -11.761 -20.388 1.00 0.00 H new ATOM 0 HG13 VAL A 725 -9.350 -12.155 -18.954 1.00 0.00 H new ATOM 0 HG21 VAL A 725 -11.972 -12.613 -20.506 1.00 0.00 H new ATOM 0 HG22 VAL A 725 -11.882 -11.642 -19.017 1.00 0.00 H new ATOM 0 HG23 VAL A 725 -12.563 -10.934 -20.501 1.00 0.00 H new ATOM 226 N ASP A 726 -8.456 -8.703 -21.339 1.00 0.00 N ATOM 227 CA ASP A 726 -7.107 -8.275 -21.689 1.00 0.00 C ATOM 228 C ASP A 726 -6.728 -6.987 -20.962 1.00 0.00 C ATOM 229 O ASP A 726 -5.549 -6.724 -20.724 1.00 0.00 O ATOM 230 CB ASP A 726 -6.990 -8.072 -23.201 1.00 0.00 C ATOM 231 CG ASP A 726 -5.575 -7.737 -23.631 1.00 0.00 C ATOM 232 OD1 ASP A 726 -4.627 -8.223 -22.981 1.00 0.00 O ATOM 233 OD2 ASP A 726 -5.417 -6.990 -24.620 1.00 0.00 O ATOM 0 H ASP A 726 -9.160 -8.498 -22.048 1.00 0.00 H new ATOM 0 HA ASP A 726 -6.417 -9.059 -21.377 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -7.318 -8.977 -23.713 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -7.660 -7.270 -23.510 1.00 0.00 H new ATOM 238 N VAL A 727 -7.730 -6.182 -20.620 1.00 0.00 N ATOM 239 CA VAL A 727 -7.492 -4.920 -19.930 1.00 0.00 C ATOM 240 C VAL A 727 -7.524 -5.094 -18.414 1.00 0.00 C ATOM 241 O VAL A 727 -6.746 -4.472 -17.693 1.00 0.00 O ATOM 242 CB VAL A 727 -8.530 -3.855 -20.334 1.00 0.00 C ATOM 243 CG1 VAL A 727 -8.171 -2.502 -19.737 1.00 0.00 C ATOM 244 CG2 VAL A 727 -8.642 -3.763 -21.849 1.00 0.00 C ATOM 0 H VAL A 727 -8.712 -6.381 -20.809 1.00 0.00 H new ATOM 0 HA VAL A 727 -6.498 -4.586 -20.229 1.00 0.00 H new ATOM 0 HB VAL A 727 -9.500 -4.155 -19.938 1.00 0.00 H new ATOM 0 HG11 VAL A 727 -8.916 -1.764 -20.034 1.00 0.00 H new ATOM 0 HG12 VAL A 727 -8.149 -2.578 -18.650 1.00 0.00 H new ATOM 0 HG13 VAL A 727 -7.190 -2.193 -20.099 1.00 0.00 H new ATOM 0 HG21 VAL A 727 -9.380 -3.006 -22.114 1.00 0.00 H new ATOM 0 HG22 VAL A 727 -7.674 -3.490 -22.269 1.00 0.00 H new ATOM 0 HG23 VAL A 727 -8.952 -4.728 -22.250 1.00 0.00 H new ATOM 254 N PHE A 728 -8.433 -5.938 -17.936 1.00 0.00 N ATOM 255 CA PHE A 728 -8.565 -6.184 -16.505 1.00 0.00 C ATOM 256 C PHE A 728 -7.808 -7.440 -16.088 1.00 0.00 C ATOM 257 O PHE A 728 -7.091 -7.440 -15.087 1.00 0.00 O ATOM 258 CB PHE A 728 -10.042 -6.314 -16.124 1.00 0.00 C ATOM 259 CG PHE A 728 -10.838 -5.063 -16.370 1.00 0.00 C ATOM 260 CD1 PHE A 728 -10.976 -4.553 -17.652 1.00 0.00 C ATOM 261 CD2 PHE A 728 -11.448 -4.398 -15.319 1.00 0.00 C ATOM 262 CE1 PHE A 728 -11.708 -3.404 -17.879 1.00 0.00 C ATOM 263 CE2 PHE A 728 -12.181 -3.247 -15.541 1.00 0.00 C ATOM 264 CZ PHE A 728 -12.312 -2.749 -16.824 1.00 0.00 C ATOM 0 H PHE A 728 -9.087 -6.462 -18.517 1.00 0.00 H new ATOM 0 HA PHE A 728 -8.131 -5.334 -15.978 1.00 0.00 H new ATOM 0 HB2 PHE A 728 -10.484 -7.134 -16.690 1.00 0.00 H new ATOM 0 HB3 PHE A 728 -10.115 -6.580 -15.069 1.00 0.00 H new ATOM 0 HD1 PHE A 728 -10.506 -5.060 -18.482 1.00 0.00 H new ATOM 0 HD2 PHE A 728 -11.350 -4.783 -14.315 1.00 0.00 H new ATOM 0 HE1 PHE A 728 -11.808 -3.017 -18.882 1.00 0.00 H new ATOM 0 HE2 PHE A 728 -12.651 -2.737 -14.713 1.00 0.00 H new ATOM 0 HZ PHE A 728 -12.885 -1.851 -17.001 1.00 0.00 H new ATOM 274 N TYR A 729 -7.972 -8.510 -16.858 1.00 0.00 N ATOM 275 CA TYR A 729 -7.303 -9.771 -16.565 1.00 0.00 C ATOM 276 C TYR A 729 -6.005 -9.897 -17.358 1.00 0.00 C ATOM 277 O TYR A 729 -5.720 -10.943 -17.944 1.00 0.00 O ATOM 278 CB TYR A 729 -8.232 -10.948 -16.877 1.00 0.00 C ATOM 279 CG TYR A 729 -8.981 -11.464 -15.670 1.00 0.00 C ATOM 280 CD1 TYR A 729 -10.116 -10.813 -15.201 1.00 0.00 C ATOM 281 CD2 TYR A 729 -8.554 -12.603 -14.998 1.00 0.00 C ATOM 282 CE1 TYR A 729 -10.803 -11.283 -14.098 1.00 0.00 C ATOM 283 CE2 TYR A 729 -9.236 -13.079 -13.895 1.00 0.00 C ATOM 284 CZ TYR A 729 -10.359 -12.415 -13.449 1.00 0.00 C ATOM 285 OH TYR A 729 -11.042 -12.886 -12.350 1.00 0.00 O ATOM 0 H TYR A 729 -8.562 -8.529 -17.690 1.00 0.00 H new ATOM 0 HA TYR A 729 -7.056 -9.787 -15.504 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -8.951 -10.641 -17.637 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -7.644 -11.761 -17.304 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -10.467 -9.926 -15.707 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -7.674 -13.125 -15.344 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -11.683 -10.766 -13.746 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -8.891 -13.966 -13.385 1.00 0.00 H new ATOM 0 HH TYR A 729 -10.600 -13.692 -12.011 1.00 0.00 H new ATOM 295 N ASN A 730 -5.221 -8.826 -17.372 1.00 0.00 N ATOM 296 CA ASN A 730 -3.952 -8.815 -18.092 1.00 0.00 C ATOM 297 C ASN A 730 -3.203 -7.507 -17.855 1.00 0.00 C ATOM 298 O ASN A 730 -2.553 -6.979 -18.757 1.00 0.00 O ATOM 299 CB ASN A 730 -4.192 -9.022 -19.589 1.00 0.00 C ATOM 300 CG ASN A 730 -3.937 -10.452 -20.023 1.00 0.00 C ATOM 301 OD1 ASN A 730 -2.801 -10.926 -20.000 1.00 0.00 O ATOM 302 ND2 ASN A 730 -4.994 -11.148 -20.424 1.00 0.00 N ATOM 0 H ASN A 730 -5.441 -7.953 -16.893 1.00 0.00 H new ATOM 0 HA ASN A 730 -3.339 -9.633 -17.715 1.00 0.00 H new ATOM 0 HB2 ASN A 730 -5.219 -8.750 -19.831 1.00 0.00 H new ATOM 0 HB3 ASN A 730 -3.544 -8.353 -20.154 1.00 0.00 H new ATOM 0 HD21 ASN A 730 -4.882 -12.115 -20.729 1.00 0.00 H new ATOM 0 HD22 ASN A 730 -5.918 -10.716 -20.427 1.00 0.00 H new ATOM 309 N THR A 731 -3.299 -6.990 -16.633 1.00 0.00 N ATOM 310 CA THR A 731 -2.629 -5.744 -16.277 1.00 0.00 C ATOM 311 C THR A 731 -1.487 -6.001 -15.301 1.00 0.00 C ATOM 312 O THR A 731 -1.658 -5.889 -14.086 1.00 0.00 O ATOM 313 CB THR A 731 -3.629 -4.762 -15.664 1.00 0.00 C ATOM 314 OG1 THR A 731 -4.951 -5.069 -16.073 1.00 0.00 O ATOM 315 CG2 THR A 731 -3.357 -3.320 -16.036 1.00 0.00 C ATOM 0 H THR A 731 -3.833 -7.414 -15.875 1.00 0.00 H new ATOM 0 HA THR A 731 -2.214 -5.310 -17.186 1.00 0.00 H new ATOM 0 HB THR A 731 -3.514 -4.870 -14.585 1.00 0.00 H new ATOM 0 HG1 THR A 731 -5.182 -4.534 -16.861 1.00 0.00 H new ATOM 0 HG21 THR A 731 -4.102 -2.677 -15.568 1.00 0.00 H new ATOM 0 HG22 THR A 731 -2.364 -3.036 -15.689 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.409 -3.208 -17.119 1.00 0.00 H new ATOM 323 N LYS A 732 -0.322 -6.347 -15.837 1.00 0.00 N ATOM 324 CA LYS A 732 0.851 -6.621 -15.014 1.00 0.00 C ATOM 325 C LYS A 732 2.009 -5.699 -15.391 1.00 0.00 C ATOM 326 O LYS A 732 3.108 -6.161 -15.697 1.00 0.00 O ATOM 327 CB LYS A 732 1.273 -8.083 -15.163 1.00 0.00 C ATOM 328 CG LYS A 732 0.385 -9.055 -14.403 1.00 0.00 C ATOM 329 CD LYS A 732 0.248 -10.377 -15.138 1.00 0.00 C ATOM 330 CE LYS A 732 0.156 -11.547 -14.171 1.00 0.00 C ATOM 331 NZ LYS A 732 -1.220 -11.709 -13.625 1.00 0.00 N ATOM 0 H LYS A 732 -0.164 -6.445 -16.840 1.00 0.00 H new ATOM 0 HA LYS A 732 0.587 -6.432 -13.973 1.00 0.00 H new ATOM 0 HB2 LYS A 732 1.266 -8.348 -16.220 1.00 0.00 H new ATOM 0 HB3 LYS A 732 2.300 -8.193 -14.814 1.00 0.00 H new ATOM 0 HG2 LYS A 732 0.802 -9.231 -13.411 1.00 0.00 H new ATOM 0 HG3 LYS A 732 -0.601 -8.613 -14.261 1.00 0.00 H new ATOM 0 HD2 LYS A 732 -0.641 -10.354 -15.768 1.00 0.00 H new ATOM 0 HD3 LYS A 732 1.103 -10.517 -15.799 1.00 0.00 H new ATOM 0 HE2 LYS A 732 0.455 -12.463 -14.680 1.00 0.00 H new ATOM 0 HE3 LYS A 732 0.857 -11.396 -13.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 -1.241 -12.517 -12.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 -1.496 -10.844 -13.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 -1.886 -11.879 -14.406 1.00 0.00 H new ATOM 345 N PRO A 733 1.775 -4.375 -15.373 1.00 0.00 N ATOM 346 CA PRO A 733 2.805 -3.388 -15.715 1.00 0.00 C ATOM 347 C PRO A 733 3.900 -3.306 -14.658 1.00 0.00 C ATOM 348 O PRO A 733 3.761 -3.847 -13.560 1.00 0.00 O ATOM 349 CB PRO A 733 2.027 -2.071 -15.781 1.00 0.00 C ATOM 350 CG PRO A 733 0.848 -2.283 -14.897 1.00 0.00 C ATOM 351 CD PRO A 733 0.492 -3.738 -15.020 1.00 0.00 C ATOM 0 HA PRO A 733 3.321 -3.641 -16.641 1.00 0.00 H new ATOM 0 HB2 PRO A 733 2.635 -1.234 -15.436 1.00 0.00 H new ATOM 0 HB3 PRO A 733 1.720 -1.843 -16.802 1.00 0.00 H new ATOM 0 HG2 PRO A 733 1.084 -2.025 -13.864 1.00 0.00 H new ATOM 0 HG3 PRO A 733 0.014 -1.651 -15.201 1.00 0.00 H new ATOM 0 HD2 PRO A 733 0.090 -4.134 -14.087 1.00 0.00 H new ATOM 0 HD3 PRO A 733 -0.264 -3.903 -15.788 1.00 0.00 H new ATOM 359 N TYR A 734 4.991 -2.626 -14.995 1.00 0.00 N ATOM 360 CA TYR A 734 6.113 -2.473 -14.076 1.00 0.00 C ATOM 361 C TYR A 734 6.167 -1.055 -13.515 1.00 0.00 C ATOM 362 O TYR A 734 7.245 -0.506 -13.294 1.00 0.00 O ATOM 363 CB TYR A 734 7.428 -2.806 -14.781 1.00 0.00 C ATOM 364 CG TYR A 734 7.783 -4.275 -14.739 1.00 0.00 C ATOM 365 CD1 TYR A 734 8.031 -4.915 -13.531 1.00 0.00 C ATOM 366 CD2 TYR A 734 7.871 -5.023 -15.907 1.00 0.00 C ATOM 367 CE1 TYR A 734 8.357 -6.257 -13.488 1.00 0.00 C ATOM 368 CE2 TYR A 734 8.196 -6.364 -15.872 1.00 0.00 C ATOM 369 CZ TYR A 734 8.438 -6.978 -14.661 1.00 0.00 C ATOM 370 OH TYR A 734 8.761 -8.314 -14.624 1.00 0.00 O ATOM 0 H TYR A 734 5.122 -2.172 -15.899 1.00 0.00 H new ATOM 0 HA TYR A 734 5.969 -3.167 -13.248 1.00 0.00 H new ATOM 0 HB2 TYR A 734 7.364 -2.486 -15.821 1.00 0.00 H new ATOM 0 HB3 TYR A 734 8.233 -2.233 -14.320 1.00 0.00 H new ATOM 0 HD1 TYR A 734 7.968 -4.354 -12.610 1.00 0.00 H new ATOM 0 HD2 TYR A 734 7.682 -4.547 -16.858 1.00 0.00 H new ATOM 0 HE1 TYR A 734 8.547 -6.739 -12.541 1.00 0.00 H new ATOM 0 HE2 TYR A 734 8.261 -6.930 -16.789 1.00 0.00 H new ATOM 0 HH TYR A 734 8.774 -8.673 -15.536 1.00 0.00 H new ATOM 380 N LYS A 735 4.996 -0.470 -13.287 1.00 0.00 N ATOM 381 CA LYS A 735 4.911 0.885 -12.751 1.00 0.00 C ATOM 382 C LYS A 735 3.710 1.029 -11.822 1.00 0.00 C ATOM 383 O LYS A 735 2.762 0.247 -11.892 1.00 0.00 O ATOM 384 CB LYS A 735 4.812 1.901 -13.891 1.00 0.00 C ATOM 385 CG LYS A 735 5.535 3.207 -13.606 1.00 0.00 C ATOM 386 CD LYS A 735 6.969 3.171 -14.108 1.00 0.00 C ATOM 387 CE LYS A 735 7.074 3.695 -15.531 1.00 0.00 C ATOM 388 NZ LYS A 735 6.235 2.909 -16.477 1.00 0.00 N ATOM 0 H LYS A 735 4.094 -0.911 -13.464 1.00 0.00 H new ATOM 0 HA LYS A 735 5.817 1.079 -12.177 1.00 0.00 H new ATOM 0 HB2 LYS A 735 5.223 1.458 -14.798 1.00 0.00 H new ATOM 0 HB3 LYS A 735 3.761 2.113 -14.088 1.00 0.00 H new ATOM 0 HG2 LYS A 735 5.002 4.030 -14.082 1.00 0.00 H new ATOM 0 HG3 LYS A 735 5.529 3.401 -12.533 1.00 0.00 H new ATOM 0 HD2 LYS A 735 7.601 3.769 -13.451 1.00 0.00 H new ATOM 0 HD3 LYS A 735 7.344 2.149 -14.067 1.00 0.00 H new ATOM 0 HE2 LYS A 735 6.767 4.740 -15.556 1.00 0.00 H new ATOM 0 HE3 LYS A 735 8.114 3.661 -15.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 6.485 3.161 -17.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 6.402 1.893 -16.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 5.231 3.123 -16.311 1.00 0.00 H new ATOM 402 N HIS A 736 3.759 2.031 -10.953 1.00 0.00 N ATOM 403 CA HIS A 736 2.674 2.278 -10.009 1.00 0.00 C ATOM 404 C HIS A 736 1.868 3.507 -10.414 1.00 0.00 C ATOM 405 O HIS A 736 2.131 4.616 -9.947 1.00 0.00 O ATOM 406 CB HIS A 736 3.231 2.462 -8.595 1.00 0.00 C ATOM 407 CG HIS A 736 3.912 1.241 -8.057 1.00 0.00 C ATOM 408 ND1 HIS A 736 5.167 0.838 -8.464 1.00 0.00 N ATOM 409 CD2 HIS A 736 3.507 0.333 -7.138 1.00 0.00 C ATOM 410 CE1 HIS A 736 5.503 -0.264 -7.819 1.00 0.00 C ATOM 411 NE2 HIS A 736 4.513 -0.591 -7.009 1.00 0.00 N ATOM 0 H HIS A 736 4.538 2.686 -10.882 1.00 0.00 H new ATOM 0 HA HIS A 736 2.012 1.412 -10.022 1.00 0.00 H new ATOM 0 HB2 HIS A 736 3.938 3.292 -8.597 1.00 0.00 H new ATOM 0 HB3 HIS A 736 2.417 2.739 -7.925 1.00 0.00 H new ATOM 0 HD2 HIS A 736 2.567 0.336 -6.606 1.00 0.00 H new ATOM 0 HE1 HIS A 736 6.430 -0.806 -7.934 1.00 0.00 H new ATOM 0 HE2 HIS A 736 4.498 -1.400 -6.388 1.00 0.00 H new ATOM 420 N ARG A 737 0.885 3.303 -11.286 1.00 0.00 N ATOM 421 CA ARG A 737 0.041 4.397 -11.754 1.00 0.00 C ATOM 422 C ARG A 737 -1.352 3.891 -12.114 1.00 0.00 C ATOM 423 O ARG A 737 -2.338 4.248 -11.468 1.00 0.00 O ATOM 424 CB ARG A 737 0.678 5.076 -12.968 1.00 0.00 C ATOM 425 CG ARG A 737 0.008 6.385 -13.353 1.00 0.00 C ATOM 426 CD ARG A 737 0.752 7.583 -12.783 1.00 0.00 C ATOM 427 NE ARG A 737 0.284 7.930 -11.444 1.00 0.00 N ATOM 428 CZ ARG A 737 0.782 8.932 -10.722 1.00 0.00 C ATOM 429 NH1 ARG A 737 1.763 9.685 -11.204 1.00 0.00 N ATOM 430 NH2 ARG A 737 0.297 9.181 -9.512 1.00 0.00 N ATOM 0 H ARG A 737 0.654 2.392 -11.682 1.00 0.00 H new ATOM 0 HA ARG A 737 -0.052 5.124 -10.947 1.00 0.00 H new ATOM 0 HB2 ARG A 737 1.731 5.264 -12.758 1.00 0.00 H new ATOM 0 HB3 ARG A 737 0.639 4.394 -13.817 1.00 0.00 H new ATOM 0 HG2 ARG A 737 -0.036 6.466 -14.439 1.00 0.00 H new ATOM 0 HG3 ARG A 737 -1.020 6.388 -12.991 1.00 0.00 H new ATOM 0 HD2 ARG A 737 1.819 7.364 -12.749 1.00 0.00 H new ATOM 0 HD3 ARG A 737 0.623 8.439 -13.445 1.00 0.00 H new ATOM 0 HE ARG A 737 -0.468 7.373 -11.038 1.00 0.00 H new ATOM 0 HH11 ARG A 737 2.140 9.498 -12.133 1.00 0.00 H new ATOM 0 HH12 ARG A 737 2.140 10.451 -10.645 1.00 0.00 H new ATOM 0 HH21 ARG A 737 -0.456 8.605 -9.136 1.00 0.00 H new ATOM 0 HH22 ARG A 737 0.678 9.948 -8.958 1.00 0.00 H new ATOM 444 N ASP A 738 -1.426 3.059 -13.148 1.00 0.00 N ATOM 445 CA ASP A 738 -2.700 2.504 -13.594 1.00 0.00 C ATOM 446 C ASP A 738 -3.354 1.685 -12.487 1.00 0.00 C ATOM 447 O ASP A 738 -4.579 1.598 -12.408 1.00 0.00 O ATOM 448 CB ASP A 738 -2.493 1.635 -14.835 1.00 0.00 C ATOM 449 CG ASP A 738 -2.483 2.448 -16.115 1.00 0.00 C ATOM 450 OD1 ASP A 738 -1.627 3.350 -16.238 1.00 0.00 O ATOM 451 OD2 ASP A 738 -3.329 2.182 -16.994 1.00 0.00 O ATOM 0 H ASP A 738 -0.619 2.754 -13.693 1.00 0.00 H new ATOM 0 HA ASP A 738 -3.362 3.333 -13.846 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -1.551 1.095 -14.744 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -3.285 0.888 -14.888 1.00 0.00 H new ATOM 456 N ASP A 739 -2.529 1.085 -11.633 1.00 0.00 N ATOM 457 CA ASP A 739 -3.029 0.271 -10.532 1.00 0.00 C ATOM 458 C ASP A 739 -3.922 1.093 -9.608 1.00 0.00 C ATOM 459 O ASP A 739 -4.995 0.646 -9.205 1.00 0.00 O ATOM 460 CB ASP A 739 -1.864 -0.322 -9.739 1.00 0.00 C ATOM 461 CG ASP A 739 -1.243 -1.521 -10.431 1.00 0.00 C ATOM 462 OD1 ASP A 739 -0.411 -1.315 -11.339 1.00 0.00 O ATOM 463 OD2 ASP A 739 -1.590 -2.663 -10.065 1.00 0.00 O ATOM 0 H ASP A 739 -1.512 1.148 -11.683 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.623 -0.540 -10.954 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -1.102 0.443 -9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -2.215 -0.618 -8.750 1.00 0.00 H new ATOM 468 N ARG A 740 -3.470 2.299 -9.276 1.00 0.00 N ATOM 469 CA ARG A 740 -4.229 3.184 -8.400 1.00 0.00 C ATOM 470 C ARG A 740 -5.586 3.518 -9.008 1.00 0.00 C ATOM 471 O ARG A 740 -6.574 3.685 -8.294 1.00 0.00 O ATOM 472 CB ARG A 740 -3.445 4.469 -8.133 1.00 0.00 C ATOM 473 CG ARG A 740 -3.598 4.992 -6.714 1.00 0.00 C ATOM 474 CD ARG A 740 -2.318 5.644 -6.218 1.00 0.00 C ATOM 475 NE ARG A 740 -2.071 5.364 -4.806 1.00 0.00 N ATOM 476 CZ ARG A 740 -0.886 5.506 -4.218 1.00 0.00 C ATOM 477 NH1 ARG A 740 0.164 5.922 -4.915 1.00 0.00 N ATOM 478 NH2 ARG A 740 -0.749 5.229 -2.928 1.00 0.00 N ATOM 0 H ARG A 740 -2.583 2.685 -9.600 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.393 2.665 -7.455 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.389 4.288 -8.333 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -3.775 5.238 -8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -4.413 5.715 -6.678 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -3.870 4.171 -6.050 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -1.476 5.286 -6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -2.379 6.722 -6.368 1.00 0.00 H new ATOM 0 HE ARG A 740 -2.853 5.040 -4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 740 0.065 6.135 -5.908 1.00 0.00 H new ATOM 0 HH12 ARG A 740 1.070 6.029 -4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 740 -1.552 4.907 -2.387 1.00 0.00 H new ATOM 0 HH22 ARG A 740 0.159 5.338 -2.477 1.00 0.00 H new ATOM 492 N LEU A 741 -5.630 3.608 -10.333 1.00 0.00 N ATOM 493 CA LEU A 741 -6.871 3.918 -11.033 1.00 0.00 C ATOM 494 C LEU A 741 -7.914 2.838 -10.776 1.00 0.00 C ATOM 495 O LEU A 741 -9.091 3.134 -10.577 1.00 0.00 O ATOM 496 CB LEU A 741 -6.615 4.054 -12.536 1.00 0.00 C ATOM 497 CG LEU A 741 -5.755 5.252 -12.941 1.00 0.00 C ATOM 498 CD1 LEU A 741 -5.488 5.236 -14.438 1.00 0.00 C ATOM 499 CD2 LEU A 741 -6.428 6.554 -12.532 1.00 0.00 C ATOM 0 H LEU A 741 -4.823 3.471 -10.942 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.251 4.867 -10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -6.132 3.143 -12.891 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.575 4.126 -13.047 1.00 0.00 H new ATOM 0 HG LEU A 741 -4.799 5.181 -12.421 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -4.875 6.096 -14.707 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -4.963 4.318 -14.704 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -6.434 5.282 -14.977 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -5.802 7.396 -12.828 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -7.398 6.632 -13.024 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -6.567 6.568 -11.451 1.00 0.00 H new ATOM 511 N LEU A 742 -7.471 1.584 -10.773 1.00 0.00 N ATOM 512 CA LEU A 742 -8.367 0.460 -10.532 1.00 0.00 C ATOM 513 C LEU A 742 -9.076 0.618 -9.193 1.00 0.00 C ATOM 514 O LEU A 742 -10.246 0.266 -9.054 1.00 0.00 O ATOM 515 CB LEU A 742 -7.590 -0.858 -10.562 1.00 0.00 C ATOM 516 CG LEU A 742 -7.022 -1.244 -11.928 1.00 0.00 C ATOM 517 CD1 LEU A 742 -6.043 -2.399 -11.793 1.00 0.00 C ATOM 518 CD2 LEU A 742 -8.145 -1.603 -12.889 1.00 0.00 C ATOM 0 H LEU A 742 -6.499 1.322 -10.935 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.116 0.444 -11.323 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -6.768 -0.794 -9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.247 -1.657 -10.220 1.00 0.00 H new ATOM 0 HG LEU A 742 -6.485 -0.386 -12.332 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -5.650 -2.659 -12.776 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -5.222 -2.105 -11.139 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -6.555 -3.262 -11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -7.723 -1.875 -13.856 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -8.710 -2.445 -12.490 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -8.808 -0.746 -13.010 1.00 0.00 H new ATOM 530 N GLN A 743 -8.360 1.157 -8.210 1.00 0.00 N ATOM 531 CA GLN A 743 -8.928 1.369 -6.884 1.00 0.00 C ATOM 532 C GLN A 743 -10.132 2.299 -6.961 1.00 0.00 C ATOM 533 O GLN A 743 -11.191 2.008 -6.408 1.00 0.00 O ATOM 534 CB GLN A 743 -7.873 1.950 -5.939 1.00 0.00 C ATOM 535 CG GLN A 743 -7.197 0.904 -5.067 1.00 0.00 C ATOM 536 CD GLN A 743 -6.344 -0.060 -5.867 1.00 0.00 C ATOM 537 OE1 GLN A 743 -5.124 0.093 -5.948 1.00 0.00 O ATOM 538 NE2 GLN A 743 -6.982 -1.060 -6.464 1.00 0.00 N ATOM 0 H GLN A 743 -7.389 1.454 -8.307 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.257 0.406 -6.493 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.114 2.466 -6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.342 2.697 -5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.575 1.403 -4.324 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -7.957 0.344 -4.522 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -7.994 -1.148 -6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -6.460 -1.740 -7.017 1.00 0.00 H new ATOM 547 N ALA A 744 -9.963 3.422 -7.653 1.00 0.00 N ATOM 548 CA ALA A 744 -11.039 4.390 -7.804 1.00 0.00 C ATOM 549 C ALA A 744 -12.135 3.857 -8.721 1.00 0.00 C ATOM 550 O ALA A 744 -13.319 3.925 -8.392 1.00 0.00 O ATOM 551 CB ALA A 744 -10.495 5.709 -8.334 1.00 0.00 C ATOM 0 H ALA A 744 -9.092 3.682 -8.116 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.478 4.562 -6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -11.312 6.423 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.757 6.105 -7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -10.026 5.546 -9.304 1.00 0.00 H new ATOM 557 N LEU A 745 -11.732 3.327 -9.873 1.00 0.00 N ATOM 558 CA LEU A 745 -12.680 2.783 -10.838 1.00 0.00 C ATOM 559 C LEU A 745 -13.558 1.715 -10.191 1.00 0.00 C ATOM 560 O LEU A 745 -14.783 1.749 -10.311 1.00 0.00 O ATOM 561 CB LEU A 745 -11.940 2.192 -12.041 1.00 0.00 C ATOM 562 CG LEU A 745 -11.004 3.159 -12.772 1.00 0.00 C ATOM 563 CD1 LEU A 745 -9.853 2.404 -13.425 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.774 3.959 -13.812 1.00 0.00 C ATOM 0 H LEU A 745 -10.755 3.263 -10.160 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.318 3.597 -11.181 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.358 1.334 -11.703 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.677 1.818 -12.752 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.587 3.851 -12.041 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.200 3.110 -13.939 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.285 1.875 -12.660 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.250 1.687 -14.144 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -11.094 4.641 -14.322 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.219 3.279 -14.538 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.562 4.531 -13.321 1.00 0.00 H new ATOM 576 N MET A 746 -12.925 0.770 -9.502 1.00 0.00 N ATOM 577 CA MET A 746 -13.655 -0.301 -8.836 1.00 0.00 C ATOM 578 C MET A 746 -14.462 0.241 -7.661 1.00 0.00 C ATOM 579 O MET A 746 -15.583 -0.201 -7.409 1.00 0.00 O ATOM 580 CB MET A 746 -12.691 -1.390 -8.355 1.00 0.00 C ATOM 581 CG MET A 746 -11.811 -0.964 -7.193 1.00 0.00 C ATOM 582 SD MET A 746 -12.583 -1.260 -5.591 1.00 0.00 S ATOM 583 CE MET A 746 -12.338 -3.025 -5.416 1.00 0.00 C ATOM 0 H MET A 746 -11.912 0.725 -9.391 1.00 0.00 H new ATOM 0 HA MET A 746 -14.346 -0.737 -9.557 1.00 0.00 H new ATOM 0 HB2 MET A 746 -13.267 -2.267 -8.059 1.00 0.00 H new ATOM 0 HB3 MET A 746 -12.056 -1.692 -9.187 1.00 0.00 H new ATOM 0 HG2 MET A 746 -10.865 -1.504 -7.241 1.00 0.00 H new ATOM 0 HG3 MET A 746 -11.578 0.096 -7.289 1.00 0.00 H new ATOM 0 HE1 MET A 746 -13.231 -3.475 -4.982 1.00 0.00 H new ATOM 0 HE2 MET A 746 -12.149 -3.465 -6.395 1.00 0.00 H new ATOM 0 HE3 MET A 746 -11.485 -3.211 -4.764 1.00 0.00 H new ATOM 593 N ASP A 747 -13.884 1.202 -6.947 1.00 0.00 N ATOM 594 CA ASP A 747 -14.551 1.806 -5.799 1.00 0.00 C ATOM 595 C ASP A 747 -15.880 2.432 -6.209 1.00 0.00 C ATOM 596 O ASP A 747 -16.897 2.251 -5.537 1.00 0.00 O ATOM 597 CB ASP A 747 -13.651 2.864 -5.156 1.00 0.00 C ATOM 598 CG ASP A 747 -14.286 3.503 -3.935 1.00 0.00 C ATOM 599 OD1 ASP A 747 -15.061 4.466 -4.106 1.00 0.00 O ATOM 600 OD2 ASP A 747 -14.008 3.038 -2.810 1.00 0.00 O ATOM 0 H ASP A 747 -12.957 1.579 -7.143 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.750 1.019 -5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -12.704 2.406 -4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.423 3.637 -5.890 1.00 0.00 H new ATOM 605 N ILE A 748 -15.867 3.170 -7.314 1.00 0.00 N ATOM 606 CA ILE A 748 -17.070 3.822 -7.813 1.00 0.00 C ATOM 607 C ILE A 748 -18.140 2.797 -8.175 1.00 0.00 C ATOM 608 O ILE A 748 -19.318 2.980 -7.873 1.00 0.00 O ATOM 609 CB ILE A 748 -16.768 4.694 -9.047 1.00 0.00 C ATOM 610 CG1 ILE A 748 -15.602 5.642 -8.761 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.005 5.479 -9.460 1.00 0.00 C ATOM 612 CD1 ILE A 748 -14.640 5.784 -9.920 1.00 0.00 C ATOM 0 H ILE A 748 -15.035 3.331 -7.881 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.440 4.461 -7.011 1.00 0.00 H new ATOM 0 HB ILE A 748 -16.485 4.039 -9.871 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -15.998 6.625 -8.505 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -15.057 5.281 -7.889 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -17.774 6.089 -10.333 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -18.811 4.787 -9.704 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -18.318 6.124 -8.639 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -13.839 6.471 -9.646 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -14.216 4.810 -10.162 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -15.171 6.174 -10.788 1.00 0.00 H new ATOM 624 N LEU A 749 -17.720 1.717 -8.828 1.00 0.00 N ATOM 625 CA LEU A 749 -18.641 0.662 -9.233 1.00 0.00 C ATOM 626 C LEU A 749 -19.308 0.025 -8.018 1.00 0.00 C ATOM 627 O LEU A 749 -20.465 -0.388 -8.078 1.00 0.00 O ATOM 628 CB LEU A 749 -17.902 -0.405 -10.043 1.00 0.00 C ATOM 629 CG LEU A 749 -17.891 -0.178 -11.554 1.00 0.00 C ATOM 630 CD1 LEU A 749 -16.710 0.692 -11.955 1.00 0.00 C ATOM 631 CD2 LEU A 749 -17.850 -1.508 -12.293 1.00 0.00 C ATOM 0 H LEU A 749 -16.748 1.550 -9.087 1.00 0.00 H new ATOM 0 HA LEU A 749 -19.416 1.109 -9.856 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -16.872 -0.457 -9.691 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -18.358 -1.374 -9.840 1.00 0.00 H new ATOM 0 HG LEU A 749 -18.809 0.341 -11.830 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -16.719 0.843 -13.035 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -16.782 1.657 -11.453 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -15.781 0.201 -11.665 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -17.843 -1.327 -13.368 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -16.949 -2.053 -12.011 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -18.728 -2.097 -12.030 1.00 0.00 H new ATOM 643 N ASN A 750 -18.571 -0.050 -6.914 1.00 0.00 N ATOM 644 CA ASN A 750 -19.091 -0.637 -5.685 1.00 0.00 C ATOM 645 C ASN A 750 -20.322 0.123 -5.198 1.00 0.00 C ATOM 646 O ASN A 750 -21.253 -0.469 -4.652 1.00 0.00 O ATOM 647 CB ASN A 750 -18.014 -0.635 -4.598 1.00 0.00 C ATOM 648 CG ASN A 750 -17.204 -1.917 -4.587 1.00 0.00 C ATOM 649 OD1 ASN A 750 -17.111 -2.597 -3.566 1.00 0.00 O ATOM 650 ND2 ASN A 750 -16.608 -2.250 -5.727 1.00 0.00 N ATOM 0 H ASN A 750 -17.611 0.289 -6.846 1.00 0.00 H new ATOM 0 HA ASN A 750 -19.381 -1.666 -5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -17.346 0.213 -4.753 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -18.484 -0.497 -3.624 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -16.046 -3.100 -5.779 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -16.713 -1.656 -6.550 1.00 0.00 H new ATOM 657 N GLU A 751 -20.318 1.436 -5.399 1.00 0.00 N ATOM 658 CA GLU A 751 -21.435 2.277 -4.982 1.00 0.00 C ATOM 659 C GLU A 751 -22.724 1.857 -5.681 1.00 0.00 C ATOM 660 O GLU A 751 -23.813 1.987 -5.126 1.00 0.00 O ATOM 661 CB GLU A 751 -21.134 3.746 -5.279 1.00 0.00 C ATOM 662 CG GLU A 751 -20.409 4.459 -4.150 1.00 0.00 C ATOM 663 CD GLU A 751 -19.683 5.705 -4.619 1.00 0.00 C ATOM 664 OE1 GLU A 751 -19.263 5.741 -5.795 1.00 0.00 O ATOM 665 OE2 GLU A 751 -19.535 6.646 -3.810 1.00 0.00 O ATOM 0 H GLU A 751 -19.554 1.941 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 751 -21.569 2.152 -3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -20.530 3.809 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -22.070 4.266 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -21.127 4.731 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -19.693 3.775 -3.694 1.00 0.00 H new ATOM 672 N GLU A 752 -22.590 1.353 -6.903 1.00 0.00 N ATOM 673 CA GLU A 752 -23.745 0.914 -7.681 1.00 0.00 C ATOM 674 C GLU A 752 -24.703 2.073 -7.930 1.00 0.00 C ATOM 675 O GLU A 752 -25.585 2.348 -7.117 1.00 0.00 O ATOM 676 CB GLU A 752 -24.472 -0.219 -6.955 1.00 0.00 C ATOM 677 CG GLU A 752 -23.596 -1.432 -6.689 1.00 0.00 C ATOM 678 CD GLU A 752 -23.703 -2.480 -7.778 1.00 0.00 C ATOM 679 OE1 GLU A 752 -24.817 -3.004 -7.990 1.00 0.00 O ATOM 680 OE2 GLU A 752 -22.674 -2.776 -8.420 1.00 0.00 O ATOM 0 H GLU A 752 -21.694 1.238 -7.377 1.00 0.00 H new ATOM 0 HA GLU A 752 -23.388 0.549 -8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -24.856 0.156 -6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -25.333 -0.526 -7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -22.558 -1.113 -6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -23.877 -1.876 -5.734 1.00 0.00 H new ATOM 687 N ASN A 753 -24.526 2.750 -9.061 1.00 0.00 N ATOM 688 CA ASN A 753 -25.377 3.879 -9.419 1.00 0.00 C ATOM 689 C ASN A 753 -26.494 3.441 -10.359 1.00 0.00 C ATOM 690 O ASN A 753 -27.256 4.318 -10.820 1.00 0.00 O ATOM 691 CB ASN A 753 -24.545 4.983 -10.073 1.00 0.00 C ATOM 692 CG ASN A 753 -23.997 5.970 -9.061 1.00 0.00 C ATOM 693 OD1 ASN A 753 -22.940 5.750 -8.471 1.00 0.00 O ATOM 694 ND2 ASN A 753 -24.715 7.068 -8.856 1.00 0.00 N ATOM 695 OXT ASN A 753 -26.597 2.227 -10.629 1.00 0.00 O ATOM 0 H ASN A 753 -23.800 2.536 -9.745 1.00 0.00 H new ATOM 0 HA ASN A 753 -25.828 4.267 -8.506 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -23.718 4.534 -10.623 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -25.159 5.515 -10.800 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -24.395 7.769 -8.187 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -25.586 7.211 -9.367 1.00 0.00 H new TER 702 ASN A 753