USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 772 SER OG : rot 157:sc= 1.17 USER MOD Set 1.2: A 781 THR OG1 : rot 11:sc= 1.02 USER MOD Set 2.1: A 759 HIS : no HE2:sc= -2.36! C(o=-2.8!,f=-8.3!) USER MOD Set 2.2: A 769 HIS : no HD1:sc= -0.46 X(o=-2.8,f=-3) USER MOD Single : A 728 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 732 MET CE :methyl 172:sc= 0 (180deg=-0.0636) USER MOD Single : A 737 MET CE :methyl -153:sc= -0.195 (180deg=-0.313) USER MOD Single : A 739 SER OG : rot 180:sc= 0 USER MOD Single : A 740 LYS NZ :NH3+ 164:sc= -0.172 (180deg=-0.341) USER MOD Single : A 741 LYS NZ :NH3+ -145:sc= -0.028 (180deg=-0.405) USER MOD Single : A 742 MET CE :methyl 163:sc= -0.346 (180deg=-0.556) USER MOD Single : A 743 GLN : amide:sc= 0.854 K(o=0.85,f=-3.5!) USER MOD Single : A 749 SER OG : rot 180:sc= 0.055 USER MOD Single : A 751 ASN : amide:sc= 0.0589 X(o=0.059,f=0) USER MOD Single : A 752 SER OG : rot 5:sc= 0.391 USER MOD Single : A 753 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 760 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1.2) USER MOD Single : A 765 HIS : no HD1:sc=-0.00447 X(o=-0.0045,f=-0.23) USER MOD Single : A 771 SER OG : rot -160:sc= 0 USER MOD Single : A 776 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 783 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 784 LYS NZ :NH3+ 144:sc= -0.485 (180deg=-1.45!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 725 -2.558 6.354 -13.466 1.00 1.00 N ATOM 2 CA GLY A 725 -2.473 6.011 -12.042 1.00 1.00 C ATOM 3 C GLY A 725 -1.037 6.128 -11.567 1.00 1.00 C ATOM 4 O GLY A 725 -0.298 6.986 -12.057 1.00 1.00 O ATOM 0 HA2 GLY A 725 -3.113 6.675 -11.460 1.00 1.00 H new ATOM 0 HA3 GLY A 725 -2.837 4.996 -11.881 1.00 1.00 H new ATOM 8 N VAL A 726 -0.608 5.253 -10.653 1.00 1.00 N ATOM 9 CA VAL A 726 0.790 5.144 -10.255 1.00 1.00 C ATOM 10 C VAL A 726 1.186 3.667 -10.333 1.00 1.00 C ATOM 11 O VAL A 726 1.167 2.922 -9.350 1.00 1.00 O ATOM 12 CB VAL A 726 1.085 5.836 -8.920 1.00 1.00 C ATOM 13 CG1 VAL A 726 2.605 5.988 -8.746 1.00 1.00 C ATOM 14 CG2 VAL A 726 0.437 7.224 -8.777 1.00 1.00 C ATOM 0 H VAL A 726 -1.225 4.601 -10.170 1.00 1.00 H new ATOM 0 HA VAL A 726 1.430 5.696 -10.944 1.00 1.00 H new ATOM 0 HB VAL A 726 0.651 5.199 -8.149 1.00 1.00 H new ATOM 0 HG11 VAL A 726 2.815 6.480 -7.796 1.00 1.00 H new ATOM 0 HG12 VAL A 726 3.073 5.003 -8.756 1.00 1.00 H new ATOM 0 HG13 VAL A 726 3.006 6.588 -9.562 1.00 1.00 H new ATOM 0 HG21 VAL A 726 0.693 7.647 -7.806 1.00 1.00 H new ATOM 0 HG22 VAL A 726 0.804 7.880 -9.567 1.00 1.00 H new ATOM 0 HG23 VAL A 726 -0.646 7.130 -8.857 1.00 1.00 H new ATOM 24 N ASP A 727 1.516 3.240 -11.548 1.00 1.00 N ATOM 25 CA ASP A 727 2.012 1.910 -11.875 1.00 1.00 C ATOM 26 C ASP A 727 3.335 1.607 -11.167 1.00 1.00 C ATOM 27 O ASP A 727 3.609 0.448 -10.874 1.00 1.00 O ATOM 28 CB ASP A 727 2.180 1.811 -13.391 1.00 1.00 C ATOM 29 CG ASP A 727 2.609 0.418 -13.842 1.00 1.00 C ATOM 30 OD1 ASP A 727 1.856 -0.554 -13.607 1.00 1.00 O ATOM 31 OD2 ASP A 727 3.591 0.309 -14.616 1.00 1.00 O ATOM 0 H ASP A 727 1.441 3.841 -12.369 1.00 1.00 H new ATOM 0 HA ASP A 727 1.291 1.170 -11.528 1.00 1.00 H new ATOM 0 HB2 ASP A 727 1.239 2.072 -13.875 1.00 1.00 H new ATOM 0 HB3 ASP A 727 2.921 2.540 -13.720 1.00 1.00 H new ATOM 36 N HIS A 728 4.131 2.626 -10.817 1.00 1.00 N ATOM 37 CA HIS A 728 5.360 2.445 -10.044 1.00 1.00 C ATOM 38 C HIS A 728 5.056 1.818 -8.679 1.00 1.00 C ATOM 39 O HIS A 728 5.782 0.921 -8.227 1.00 1.00 O ATOM 40 CB HIS A 728 6.082 3.787 -9.870 1.00 1.00 C ATOM 41 CG HIS A 728 6.681 4.309 -11.150 1.00 1.00 C ATOM 42 ND1 HIS A 728 7.547 3.625 -11.972 1.00 1.00 N ATOM 43 CD2 HIS A 728 6.462 5.540 -11.705 1.00 1.00 C ATOM 44 CE1 HIS A 728 7.846 4.427 -13.005 1.00 1.00 C ATOM 45 NE2 HIS A 728 7.178 5.592 -12.908 1.00 1.00 N ATOM 0 H HIS A 728 3.939 3.597 -11.063 1.00 1.00 H new ATOM 0 HA HIS A 728 6.014 1.766 -10.592 1.00 1.00 H new ATOM 0 HB2 HIS A 728 5.379 4.522 -9.479 1.00 1.00 H new ATOM 0 HB3 HIS A 728 6.871 3.674 -9.127 1.00 1.00 H new ATOM 0 HD2 HIS A 728 5.849 6.327 -11.292 1.00 1.00 H new ATOM 0 HE1 HIS A 728 8.528 4.173 -13.803 1.00 1.00 H new ATOM 0 HE2 HIS A 728 7.191 6.361 -13.578 1.00 1.00 H new ATOM 53 N PHE A 729 3.984 2.276 -8.017 1.00 1.00 N ATOM 54 CA PHE A 729 3.566 1.652 -6.774 1.00 1.00 C ATOM 55 C PHE A 729 3.110 0.248 -7.093 1.00 1.00 C ATOM 56 O PHE A 729 3.486 -0.659 -6.373 1.00 1.00 O ATOM 57 CB PHE A 729 2.410 2.362 -6.074 1.00 1.00 C ATOM 58 CG PHE A 729 2.623 3.805 -5.696 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.891 4.324 -5.362 1.00 1.00 C ATOM 60 CD2 PHE A 729 1.496 4.636 -5.677 1.00 1.00 C ATOM 61 CE1 PHE A 729 4.023 5.685 -5.035 1.00 1.00 C ATOM 62 CE2 PHE A 729 1.641 5.995 -5.394 1.00 1.00 C ATOM 63 CZ PHE A 729 2.899 6.527 -5.076 1.00 1.00 C ATOM 0 H PHE A 729 3.407 3.060 -8.321 1.00 1.00 H new ATOM 0 HA PHE A 729 4.421 1.691 -6.099 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.536 2.307 -6.723 1.00 1.00 H new ATOM 0 HB3 PHE A 729 2.170 1.806 -5.168 1.00 1.00 H new ATOM 0 HD1 PHE A 729 4.757 3.679 -5.357 1.00 1.00 H new ATOM 0 HD2 PHE A 729 0.518 4.227 -5.881 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.987 6.083 -4.753 1.00 1.00 H new ATOM 0 HE2 PHE A 729 0.777 6.642 -5.420 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.003 7.581 -4.863 1.00 1.00 H new ATOM 73 N ARG A 730 2.318 0.040 -8.152 1.00 1.00 N ATOM 74 CA ARG A 730 1.866 -1.307 -8.484 1.00 1.00 C ATOM 75 C ARG A 730 3.059 -2.242 -8.625 1.00 1.00 C ATOM 76 O ARG A 730 2.995 -3.331 -8.076 1.00 1.00 O ATOM 77 CB ARG A 730 0.921 -1.301 -9.688 1.00 1.00 C ATOM 78 CG ARG A 730 0.214 -2.659 -9.877 1.00 1.00 C ATOM 79 CD ARG A 730 0.729 -3.417 -11.103 1.00 1.00 C ATOM 80 NE ARG A 730 0.499 -2.635 -12.328 1.00 1.00 N ATOM 81 CZ ARG A 730 -0.638 -2.519 -13.019 1.00 1.00 C ATOM 82 NH1 ARG A 730 -1.648 -3.361 -12.837 1.00 1.00 N ATOM 83 NH2 ARG A 730 -0.737 -1.520 -13.881 1.00 1.00 N ATOM 0 H ARG A 730 1.985 0.773 -8.779 1.00 1.00 H new ATOM 0 HA ARG A 730 1.267 -1.701 -7.663 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.173 -0.519 -9.558 1.00 1.00 H new ATOM 0 HB3 ARG A 730 1.484 -1.057 -10.589 1.00 1.00 H new ATOM 0 HG2 ARG A 730 0.362 -3.270 -8.986 1.00 1.00 H new ATOM 0 HG3 ARG A 730 -0.859 -2.496 -9.978 1.00 1.00 H new ATOM 0 HD2 ARG A 730 1.794 -3.622 -10.990 1.00 1.00 H new ATOM 0 HD3 ARG A 730 0.225 -4.381 -11.180 1.00 1.00 H new ATOM 0 HE ARG A 730 1.302 -2.122 -12.692 1.00 1.00 H new ATOM 0 HH11 ARG A 730 -1.566 -4.117 -12.157 1.00 1.00 H new ATOM 0 HH12 ARG A 730 -2.507 -3.252 -13.377 1.00 1.00 H new ATOM 0 HH21 ARG A 730 0.040 -0.870 -14.000 1.00 1.00 H new ATOM 0 HH22 ARG A 730 -1.590 -1.400 -14.427 1.00 1.00 H new ATOM 97 N ALA A 731 4.154 -1.815 -9.251 1.00 1.00 N ATOM 98 CA ALA A 731 5.366 -2.612 -9.323 1.00 1.00 C ATOM 99 C ALA A 731 5.911 -2.908 -7.923 1.00 1.00 C ATOM 100 O ALA A 731 6.169 -4.073 -7.622 1.00 1.00 O ATOM 101 CB ALA A 731 6.403 -1.898 -10.196 1.00 1.00 C ATOM 0 H ALA A 731 4.221 -0.911 -9.719 1.00 1.00 H new ATOM 0 HA ALA A 731 5.134 -3.572 -9.784 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.311 -2.499 -10.248 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.001 -1.761 -11.200 1.00 1.00 H new ATOM 0 HB3 ALA A 731 6.636 -0.925 -9.762 1.00 1.00 H new ATOM 107 N MET A 732 6.043 -1.902 -7.046 1.00 1.00 N ATOM 108 CA MET A 732 6.458 -2.155 -5.665 1.00 1.00 C ATOM 109 C MET A 732 5.548 -3.177 -4.979 1.00 1.00 C ATOM 110 O MET A 732 6.024 -4.074 -4.291 1.00 1.00 O ATOM 111 CB MET A 732 6.430 -0.872 -4.835 1.00 1.00 C ATOM 112 CG MET A 732 7.490 0.160 -5.197 1.00 1.00 C ATOM 113 SD MET A 732 7.418 1.671 -4.190 1.00 1.00 S ATOM 114 CE MET A 732 8.081 1.048 -2.619 1.00 1.00 C ATOM 0 H MET A 732 5.871 -0.921 -7.267 1.00 1.00 H new ATOM 0 HA MET A 732 7.474 -2.546 -5.719 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.447 -0.412 -4.940 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.547 -1.136 -3.784 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.476 -0.292 -5.087 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.378 0.429 -6.247 1.00 1.00 H new ATOM 0 HE1 MET A 732 8.237 1.881 -1.934 1.00 1.00 H new ATOM 0 HE2 MET A 732 7.374 0.344 -2.179 1.00 1.00 H new ATOM 0 HE3 MET A 732 9.030 0.544 -2.799 1.00 1.00 H new ATOM 124 N ILE A 733 4.235 -3.016 -5.106 1.00 1.00 N ATOM 125 CA ILE A 733 3.270 -3.915 -4.500 1.00 1.00 C ATOM 126 C ILE A 733 3.345 -5.315 -5.129 1.00 1.00 C ATOM 127 O ILE A 733 3.156 -6.299 -4.426 1.00 1.00 O ATOM 128 CB ILE A 733 1.861 -3.276 -4.431 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.905 -1.886 -3.750 1.00 1.00 C ATOM 130 CG2 ILE A 733 0.940 -4.137 -3.575 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.590 -1.193 -3.367 1.00 1.00 C ATOM 0 H ILE A 733 3.812 -2.253 -5.635 1.00 1.00 H new ATOM 0 HA ILE A 733 3.532 -4.077 -3.454 1.00 1.00 H new ATOM 0 HB ILE A 733 1.503 -3.190 -5.457 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.499 -1.985 -2.842 1.00 1.00 H new ATOM 0 HG13 ILE A 733 2.448 -1.213 -4.414 1.00 1.00 H new ATOM 0 HG21 ILE A 733 -0.049 -3.680 -3.532 1.00 1.00 H new ATOM 0 HG22 ILE A 733 0.861 -5.132 -4.013 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.348 -4.215 -2.567 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.807 -0.231 -2.902 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.012 -1.035 -4.262 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.040 -1.819 -2.665 1.00 1.00 H new ATOM 143 N VAL A 734 3.646 -5.452 -6.417 1.00 1.00 N ATOM 144 CA VAL A 734 3.845 -6.754 -7.059 1.00 1.00 C ATOM 145 C VAL A 734 5.098 -7.425 -6.478 1.00 1.00 C ATOM 146 O VAL A 734 5.080 -8.637 -6.218 1.00 1.00 O ATOM 147 CB VAL A 734 3.802 -6.585 -8.591 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.267 -7.821 -9.374 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.335 -6.329 -8.990 1.00 1.00 C ATOM 0 H VAL A 734 3.760 -4.661 -7.051 1.00 1.00 H new ATOM 0 HA VAL A 734 3.036 -7.450 -6.839 1.00 1.00 H new ATOM 0 HB VAL A 734 4.480 -5.767 -8.836 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.206 -7.619 -10.443 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.298 -8.054 -9.107 1.00 1.00 H new ATOM 0 HG13 VAL A 734 3.628 -8.669 -9.128 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.268 -6.204 -10.071 1.00 1.00 H new ATOM 0 HG22 VAL A 734 1.721 -7.176 -8.684 1.00 1.00 H new ATOM 0 HG23 VAL A 734 1.977 -5.425 -8.498 1.00 1.00 H new ATOM 159 N GLU A 735 6.160 -6.657 -6.217 1.00 1.00 N ATOM 160 CA GLU A 735 7.346 -7.181 -5.557 1.00 1.00 C ATOM 161 C GLU A 735 6.938 -7.611 -4.142 1.00 1.00 C ATOM 162 O GLU A 735 7.288 -8.699 -3.701 1.00 1.00 O ATOM 163 CB GLU A 735 8.435 -6.103 -5.524 1.00 1.00 C ATOM 164 CG GLU A 735 9.745 -6.599 -4.895 1.00 1.00 C ATOM 165 CD GLU A 735 10.488 -5.464 -4.191 1.00 1.00 C ATOM 166 OE1 GLU A 735 10.605 -4.343 -4.741 1.00 1.00 O ATOM 167 OE2 GLU A 735 10.922 -5.658 -3.029 1.00 1.00 O ATOM 0 H GLU A 735 6.217 -5.667 -6.456 1.00 1.00 H new ATOM 0 HA GLU A 735 7.752 -8.039 -6.094 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.632 -5.761 -6.540 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.071 -5.242 -4.963 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.530 -7.394 -4.181 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.382 -7.029 -5.668 1.00 1.00 H new ATOM 174 N PHE A 736 6.149 -6.801 -3.433 1.00 1.00 N ATOM 175 CA PHE A 736 5.632 -7.128 -2.110 1.00 1.00 C ATOM 176 C PHE A 736 4.794 -8.408 -2.137 1.00 1.00 C ATOM 177 O PHE A 736 4.889 -9.198 -1.200 1.00 1.00 O ATOM 178 CB PHE A 736 4.833 -5.939 -1.572 1.00 1.00 C ATOM 179 CG PHE A 736 4.265 -6.065 -0.170 1.00 1.00 C ATOM 180 CD1 PHE A 736 5.032 -6.567 0.902 1.00 1.00 C ATOM 181 CD2 PHE A 736 2.948 -5.623 0.063 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.460 -6.653 2.183 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.382 -5.705 1.342 1.00 1.00 C ATOM 184 CZ PHE A 736 3.133 -6.248 2.395 1.00 1.00 C ATOM 0 H PHE A 736 5.849 -5.886 -3.770 1.00 1.00 H new ATOM 0 HA PHE A 736 6.469 -7.321 -1.439 1.00 1.00 H new ATOM 0 HB2 PHE A 736 5.476 -5.059 -1.599 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.006 -5.750 -2.256 1.00 1.00 H new ATOM 0 HD1 PHE A 736 6.052 -6.883 0.740 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.369 -5.217 -0.753 1.00 1.00 H new ATOM 0 HE1 PHE A 736 5.044 -7.033 3.008 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.376 -5.353 1.516 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.688 -6.355 3.373 1.00 1.00 H new ATOM 194 N MET A 737 4.003 -8.646 -3.188 1.00 1.00 N ATOM 195 CA MET A 737 3.241 -9.877 -3.383 1.00 1.00 C ATOM 196 C MET A 737 4.198 -11.062 -3.473 1.00 1.00 C ATOM 197 O MET A 737 3.962 -12.057 -2.785 1.00 1.00 O ATOM 198 CB MET A 737 2.310 -9.780 -4.603 1.00 1.00 C ATOM 199 CG MET A 737 1.086 -8.876 -4.394 1.00 1.00 C ATOM 200 SD MET A 737 -0.076 -9.352 -3.089 1.00 1.00 S ATOM 201 CE MET A 737 -0.630 -10.963 -3.694 1.00 1.00 C ATOM 0 H MET A 737 3.874 -7.971 -3.942 1.00 1.00 H new ATOM 0 HA MET A 737 2.590 -10.032 -2.522 1.00 1.00 H new ATOM 0 HB2 MET A 737 2.882 -9.407 -5.453 1.00 1.00 H new ATOM 0 HB3 MET A 737 1.967 -10.781 -4.864 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.442 -7.868 -4.179 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.537 -8.826 -5.334 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.632 -11.168 -3.318 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.645 -10.957 -4.784 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.053 -11.737 -3.345 1.00 1.00 H new ATOM 211 N ALA A 738 5.282 -10.954 -4.251 1.00 1.00 N ATOM 212 CA ALA A 738 6.309 -11.995 -4.319 1.00 1.00 C ATOM 213 C ALA A 738 6.960 -12.212 -2.944 1.00 1.00 C ATOM 214 O ALA A 738 7.092 -13.340 -2.471 1.00 1.00 O ATOM 215 CB ALA A 738 7.374 -11.613 -5.355 1.00 1.00 C ATOM 0 H ALA A 738 5.469 -10.147 -4.847 1.00 1.00 H new ATOM 0 HA ALA A 738 5.835 -12.928 -4.622 1.00 1.00 H new ATOM 0 HB1 ALA A 738 8.134 -12.393 -5.399 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.907 -11.505 -6.334 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.838 -10.669 -5.069 1.00 1.00 H new ATOM 221 N SER A 739 7.373 -11.117 -2.311 1.00 1.00 N ATOM 222 CA SER A 739 8.104 -11.055 -1.057 1.00 1.00 C ATOM 223 C SER A 739 7.284 -11.632 0.106 1.00 1.00 C ATOM 224 O SER A 739 7.825 -12.344 0.956 1.00 1.00 O ATOM 225 CB SER A 739 8.479 -9.578 -0.853 1.00 1.00 C ATOM 226 OG SER A 739 9.582 -9.393 -0.002 1.00 1.00 O ATOM 0 H SER A 739 7.191 -10.188 -2.690 1.00 1.00 H new ATOM 0 HA SER A 739 9.004 -11.670 -1.088 1.00 1.00 H new ATOM 0 HB2 SER A 739 8.698 -9.130 -1.822 1.00 1.00 H new ATOM 0 HB3 SER A 739 7.620 -9.046 -0.443 1.00 1.00 H new ATOM 0 HG SER A 739 9.771 -8.435 0.085 1.00 1.00 H new ATOM 232 N LYS A 740 5.977 -11.339 0.151 1.00 1.00 N ATOM 233 CA LYS A 740 4.993 -11.748 1.163 1.00 1.00 C ATOM 234 C LYS A 740 5.500 -11.617 2.597 1.00 1.00 C ATOM 235 O LYS A 740 5.172 -12.451 3.435 1.00 1.00 O ATOM 236 CB LYS A 740 4.304 -13.083 0.792 1.00 1.00 C ATOM 237 CG LYS A 740 5.271 -14.279 0.735 1.00 1.00 C ATOM 238 CD LYS A 740 4.662 -15.603 0.260 1.00 1.00 C ATOM 239 CE LYS A 740 3.686 -16.275 1.234 1.00 1.00 C ATOM 240 NZ LYS A 740 2.283 -15.862 1.033 1.00 1.00 N ATOM 0 H LYS A 740 5.547 -10.766 -0.575 1.00 1.00 H new ATOM 0 HA LYS A 740 4.181 -11.021 1.147 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.521 -13.293 1.521 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.816 -12.974 -0.177 1.00 1.00 H new ATOM 0 HG2 LYS A 740 6.098 -14.023 0.073 1.00 1.00 H new ATOM 0 HG3 LYS A 740 5.692 -14.430 1.729 1.00 1.00 H new ATOM 0 HD2 LYS A 740 4.142 -15.425 -0.681 1.00 1.00 H new ATOM 0 HD3 LYS A 740 5.473 -16.300 0.049 1.00 1.00 H new ATOM 0 HE2 LYS A 740 3.759 -17.357 1.122 1.00 1.00 H new ATOM 0 HE3 LYS A 740 3.984 -16.040 2.256 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 1.651 -16.531 1.518 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 2.143 -14.908 1.423 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 2.065 -15.855 0.016 1.00 1.00 H new ATOM 253 N LYS A 741 6.260 -10.549 2.882 1.00 1.00 N ATOM 254 CA LYS A 741 6.934 -10.288 4.151 1.00 1.00 C ATOM 255 C LYS A 741 5.938 -10.343 5.306 1.00 1.00 C ATOM 256 O LYS A 741 5.860 -11.378 5.956 1.00 1.00 O ATOM 257 CB LYS A 741 7.664 -8.944 4.028 1.00 1.00 C ATOM 258 CG LYS A 741 8.775 -9.008 2.966 1.00 1.00 C ATOM 259 CD LYS A 741 10.203 -8.767 3.467 1.00 1.00 C ATOM 260 CE LYS A 741 10.829 -9.994 4.139 1.00 1.00 C ATOM 261 NZ LYS A 741 10.281 -10.251 5.483 1.00 1.00 N ATOM 0 H LYS A 741 6.426 -9.812 2.197 1.00 1.00 H new ATOM 0 HA LYS A 741 7.675 -11.056 4.374 1.00 1.00 H new ATOM 0 HB2 LYS A 741 6.951 -8.163 3.765 1.00 1.00 H new ATOM 0 HB3 LYS A 741 8.094 -8.672 4.992 1.00 1.00 H new ATOM 0 HG2 LYS A 741 8.739 -9.988 2.491 1.00 1.00 H new ATOM 0 HG3 LYS A 741 8.554 -8.271 2.194 1.00 1.00 H new ATOM 0 HD2 LYS A 741 10.828 -8.464 2.627 1.00 1.00 H new ATOM 0 HD3 LYS A 741 10.196 -7.938 4.175 1.00 1.00 H new ATOM 0 HE2 LYS A 741 10.665 -10.870 3.511 1.00 1.00 H new ATOM 0 HE3 LYS A 741 11.907 -9.852 4.212 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 11.032 -10.623 6.099 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 9.913 -9.364 5.883 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 9.511 -10.947 5.417 1.00 1.00 H new ATOM 274 N MET A 742 5.207 -9.255 5.537 1.00 1.00 N ATOM 275 CA MET A 742 4.111 -9.045 6.478 1.00 1.00 C ATOM 276 C MET A 742 3.447 -7.735 6.071 1.00 1.00 C ATOM 277 O MET A 742 2.331 -7.761 5.564 1.00 1.00 O ATOM 278 CB MET A 742 4.496 -9.055 7.970 1.00 1.00 C ATOM 279 CG MET A 742 4.644 -10.425 8.643 1.00 1.00 C ATOM 280 SD MET A 742 3.130 -11.430 8.713 1.00 1.00 S ATOM 281 CE MET A 742 3.351 -12.556 7.306 1.00 1.00 C ATOM 0 H MET A 742 5.390 -8.402 5.008 1.00 1.00 H new ATOM 0 HA MET A 742 3.433 -9.896 6.410 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.439 -8.520 8.080 1.00 1.00 H new ATOM 0 HB3 MET A 742 3.743 -8.488 8.518 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.410 -10.990 8.112 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.006 -10.274 9.660 1.00 1.00 H new ATOM 0 HE1 MET A 742 2.671 -13.402 7.407 1.00 1.00 H new ATOM 0 HE2 MET A 742 3.135 -12.026 6.378 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.379 -12.917 7.287 1.00 1.00 H new ATOM 291 N GLN A 743 4.151 -6.606 6.203 1.00 1.00 N ATOM 292 CA GLN A 743 3.668 -5.262 5.893 1.00 1.00 C ATOM 293 C GLN A 743 4.688 -4.423 5.128 1.00 1.00 C ATOM 294 O GLN A 743 5.885 -4.495 5.400 1.00 1.00 O ATOM 295 CB GLN A 743 3.181 -4.517 7.156 1.00 1.00 C ATOM 296 CG GLN A 743 3.934 -4.667 8.495 1.00 1.00 C ATOM 297 CD GLN A 743 5.428 -4.957 8.445 1.00 1.00 C ATOM 298 OE1 GLN A 743 5.831 -6.115 8.532 1.00 1.00 O ATOM 299 NE2 GLN A 743 6.277 -3.959 8.357 1.00 1.00 N ATOM 0 H GLN A 743 5.113 -6.607 6.543 1.00 1.00 H new ATOM 0 HA GLN A 743 2.813 -5.402 5.232 1.00 1.00 H new ATOM 0 HB2 GLN A 743 3.162 -3.454 6.915 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.149 -4.822 7.331 1.00 1.00 H new ATOM 0 HG2 GLN A 743 3.791 -3.748 9.064 1.00 1.00 H new ATOM 0 HG3 GLN A 743 3.457 -5.468 9.059 1.00 1.00 H new ATOM 0 HE21 GLN A 743 5.933 -3.001 8.285 1.00 1.00 H new ATOM 0 HE22 GLN A 743 7.281 -4.141 8.360 1.00 1.00 H new ATOM 308 N LEU A 744 4.192 -3.602 4.203 1.00 1.00 N ATOM 309 CA LEU A 744 4.928 -2.620 3.421 1.00 1.00 C ATOM 310 C LEU A 744 4.186 -1.327 3.720 1.00 1.00 C ATOM 311 O LEU A 744 2.956 -1.266 3.638 1.00 1.00 O ATOM 312 CB LEU A 744 4.986 -2.974 1.926 1.00 1.00 C ATOM 313 CG LEU A 744 6.016 -2.160 1.106 1.00 1.00 C ATOM 314 CD1 LEU A 744 6.055 -2.709 -0.320 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.758 -0.652 1.063 1.00 1.00 C ATOM 0 H LEU A 744 3.200 -3.609 3.968 1.00 1.00 H new ATOM 0 HA LEU A 744 5.984 -2.560 3.684 1.00 1.00 H new ATOM 0 HB2 LEU A 744 5.220 -4.034 1.827 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.997 -2.824 1.493 1.00 1.00 H new ATOM 0 HG LEU A 744 6.972 -2.279 1.616 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.778 -2.143 -0.908 1.00 1.00 H new ATOM 0 HD12 LEU A 744 6.348 -3.759 -0.298 1.00 1.00 H new ATOM 0 HD13 LEU A 744 5.068 -2.617 -0.772 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.531 -0.168 0.466 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.782 -0.462 0.616 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.777 -0.251 2.076 1.00 1.00 H new ATOM 327 N GLU A 745 4.919 -0.305 4.131 1.00 1.00 N ATOM 328 CA GLU A 745 4.388 0.955 4.569 1.00 1.00 C ATOM 329 C GLU A 745 4.713 2.011 3.513 1.00 1.00 C ATOM 330 O GLU A 745 5.882 2.290 3.229 1.00 1.00 O ATOM 331 CB GLU A 745 5.039 1.194 5.928 1.00 1.00 C ATOM 332 CG GLU A 745 4.410 0.275 6.995 1.00 1.00 C ATOM 333 CD GLU A 745 5.379 -0.048 8.130 1.00 1.00 C ATOM 334 OE1 GLU A 745 5.795 0.866 8.880 1.00 1.00 O ATOM 335 OE2 GLU A 745 5.773 -1.229 8.271 1.00 1.00 O ATOM 0 H GLU A 745 5.938 -0.342 4.166 1.00 1.00 H new ATOM 0 HA GLU A 745 3.304 0.987 4.682 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.111 1.006 5.863 1.00 1.00 H new ATOM 0 HB3 GLU A 745 4.916 2.237 6.219 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.521 0.755 7.405 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.083 -0.653 6.525 1.00 1.00 H new ATOM 342 N PHE A 746 3.677 2.585 2.911 1.00 1.00 N ATOM 343 CA PHE A 746 3.751 3.655 1.930 1.00 1.00 C ATOM 344 C PHE A 746 3.610 4.992 2.700 1.00 1.00 C ATOM 345 O PHE A 746 2.933 5.062 3.735 1.00 1.00 O ATOM 346 CB PHE A 746 2.684 3.426 0.841 1.00 1.00 C ATOM 347 CG PHE A 746 3.042 2.418 -0.244 1.00 1.00 C ATOM 348 CD1 PHE A 746 2.847 1.038 -0.038 1.00 1.00 C ATOM 349 CD2 PHE A 746 3.546 2.856 -1.487 1.00 1.00 C ATOM 350 CE1 PHE A 746 3.212 0.113 -1.031 1.00 1.00 C ATOM 351 CE2 PHE A 746 3.918 1.929 -2.477 1.00 1.00 C ATOM 352 CZ PHE A 746 3.768 0.556 -2.242 1.00 1.00 C ATOM 0 H PHE A 746 2.717 2.301 3.105 1.00 1.00 H new ATOM 0 HA PHE A 746 4.703 3.680 1.399 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.764 3.098 1.325 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.469 4.382 0.364 1.00 1.00 H new ATOM 0 HD1 PHE A 746 2.415 0.689 0.888 1.00 1.00 H new ATOM 0 HD2 PHE A 746 3.647 3.914 -1.680 1.00 1.00 H new ATOM 0 HE1 PHE A 746 3.064 -0.943 -0.862 1.00 1.00 H new ATOM 0 HE2 PHE A 746 4.319 2.275 -3.418 1.00 1.00 H new ATOM 0 HZ PHE A 746 4.079 -0.159 -2.989 1.00 1.00 H new ATOM 362 N PRO A 747 4.247 6.074 2.220 1.00 1.00 N ATOM 363 CA PRO A 747 4.286 7.349 2.928 1.00 1.00 C ATOM 364 C PRO A 747 2.988 8.170 2.874 1.00 1.00 C ATOM 365 O PRO A 747 2.220 8.067 1.916 1.00 1.00 O ATOM 366 CB PRO A 747 5.425 8.115 2.247 1.00 1.00 C ATOM 367 CG PRO A 747 5.372 7.623 0.806 1.00 1.00 C ATOM 368 CD PRO A 747 5.023 6.148 0.989 1.00 1.00 C ATOM 0 HA PRO A 747 4.427 7.172 3.994 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.277 9.193 2.309 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.388 7.898 2.710 1.00 1.00 H new ATOM 0 HG2 PRO A 747 4.619 8.151 0.222 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.325 7.757 0.294 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.449 5.774 0.141 1.00 1.00 H new ATOM 0 HD3 PRO A 747 5.924 5.538 1.057 1.00 1.00 H new ATOM 376 N PRO A 748 2.784 9.089 3.839 1.00 1.00 N ATOM 377 CA PRO A 748 1.659 10.022 3.861 1.00 1.00 C ATOM 378 C PRO A 748 1.663 10.960 2.650 1.00 1.00 C ATOM 379 O PRO A 748 0.624 11.532 2.326 1.00 1.00 O ATOM 380 CB PRO A 748 1.751 10.798 5.166 1.00 1.00 C ATOM 381 CG PRO A 748 3.237 10.739 5.500 1.00 1.00 C ATOM 382 CD PRO A 748 3.653 9.363 4.978 1.00 1.00 C ATOM 0 HA PRO A 748 0.718 9.475 3.802 1.00 1.00 H new ATOM 0 HB2 PRO A 748 1.405 11.825 5.049 1.00 1.00 H new ATOM 0 HB3 PRO A 748 1.144 10.344 5.949 1.00 1.00 H new ATOM 0 HG2 PRO A 748 3.792 11.540 5.012 1.00 1.00 H new ATOM 0 HG3 PRO A 748 3.414 10.835 6.571 1.00 1.00 H new ATOM 0 HD2 PRO A 748 4.701 9.359 4.680 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.538 8.601 5.749 1.00 1.00 H new ATOM 390 N SER A 749 2.830 11.167 2.024 1.00 1.00 N ATOM 391 CA SER A 749 3.022 11.940 0.806 1.00 1.00 C ATOM 392 C SER A 749 1.981 11.619 -0.272 1.00 1.00 C ATOM 393 O SER A 749 1.748 12.447 -1.151 1.00 1.00 O ATOM 394 CB SER A 749 4.434 11.683 0.262 1.00 1.00 C ATOM 395 OG SER A 749 5.387 11.634 1.309 1.00 1.00 O ATOM 0 H SER A 749 3.704 10.777 2.377 1.00 1.00 H new ATOM 0 HA SER A 749 2.896 12.992 1.062 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.448 10.743 -0.290 1.00 1.00 H new ATOM 0 HB3 SER A 749 4.704 12.470 -0.442 1.00 1.00 H new ATOM 0 HG SER A 749 6.277 11.467 0.934 1.00 1.00 H new ATOM 401 N LEU A 750 1.383 10.424 -0.259 1.00 1.00 N ATOM 402 CA LEU A 750 0.303 10.071 -1.161 1.00 1.00 C ATOM 403 C LEU A 750 -0.837 11.056 -0.923 1.00 1.00 C ATOM 404 O LEU A 750 -1.444 11.037 0.143 1.00 1.00 O ATOM 405 CB LEU A 750 -0.108 8.608 -0.921 1.00 1.00 C ATOM 406 CG LEU A 750 0.755 7.521 -1.598 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.125 7.985 -2.088 1.00 1.00 C ATOM 408 CD2 LEU A 750 0.900 6.263 -0.757 1.00 1.00 C ATOM 0 H LEU A 750 1.642 9.676 0.384 1.00 1.00 H new ATOM 0 HA LEU A 750 0.605 10.140 -2.206 1.00 1.00 H new ATOM 0 HB2 LEU A 750 -0.102 8.426 0.154 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -1.137 8.484 -1.260 1.00 1.00 H new ATOM 0 HG LEU A 750 0.178 7.281 -2.491 1.00 1.00 H new ATOM 0 HD11 LEU A 750 2.650 7.147 -2.547 1.00 1.00 H new ATOM 0 HD12 LEU A 750 1.999 8.780 -2.823 1.00 1.00 H new ATOM 0 HD13 LEU A 750 2.706 8.359 -1.245 1.00 1.00 H new ATOM 0 HD21 LEU A 750 1.517 5.539 -1.289 1.00 1.00 H new ATOM 0 HD22 LEU A 750 1.371 6.513 0.193 1.00 1.00 H new ATOM 0 HD23 LEU A 750 -0.085 5.834 -0.572 1.00 1.00 H new ATOM 420 N ASN A 751 -1.130 11.893 -1.927 1.00 1.00 N ATOM 421 CA ASN A 751 -2.113 12.961 -1.774 1.00 1.00 C ATOM 422 C ASN A 751 -3.526 12.403 -1.733 1.00 1.00 C ATOM 423 O ASN A 751 -4.175 12.411 -0.692 1.00 1.00 O ATOM 424 CB ASN A 751 -1.972 13.974 -2.916 1.00 1.00 C ATOM 425 CG ASN A 751 -0.813 14.954 -2.802 1.00 1.00 C ATOM 426 OD1 ASN A 751 -0.832 15.994 -3.446 1.00 1.00 O ATOM 427 ND2 ASN A 751 0.230 14.680 -2.040 1.00 1.00 N ATOM 0 H ASN A 751 -0.699 11.847 -2.850 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.924 13.466 -0.827 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -1.866 13.424 -3.851 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.898 14.544 -2.985 1.00 1.00 H new ATOM 0 HD21 ASN A 751 1.012 15.333 -1.992 1.00 1.00 H new ATOM 0 HD22 ASN A 751 0.254 13.815 -1.500 1.00 1.00 H new ATOM 434 N SER A 752 -4.028 11.931 -2.870 1.00 1.00 N ATOM 435 CA SER A 752 -5.312 11.260 -2.997 1.00 1.00 C ATOM 436 C SER A 752 -5.186 10.210 -4.091 1.00 1.00 C ATOM 437 O SER A 752 -5.383 9.034 -3.801 1.00 1.00 O ATOM 438 CB SER A 752 -6.453 12.253 -3.236 1.00 1.00 C ATOM 439 OG SER A 752 -6.652 13.056 -2.082 1.00 1.00 O ATOM 0 H SER A 752 -3.532 12.009 -3.758 1.00 1.00 H new ATOM 0 HA SER A 752 -5.574 10.762 -2.063 1.00 1.00 H new ATOM 0 HB2 SER A 752 -6.221 12.886 -4.093 1.00 1.00 H new ATOM 0 HB3 SER A 752 -7.370 11.714 -3.476 1.00 1.00 H new ATOM 0 HG SER A 752 -5.962 12.850 -1.417 1.00 1.00 H new ATOM 445 N HIS A 753 -4.768 10.593 -5.305 1.00 1.00 N ATOM 446 CA HIS A 753 -4.627 9.647 -6.411 1.00 1.00 C ATOM 447 C HIS A 753 -3.660 8.534 -6.048 1.00 1.00 C ATOM 448 O HIS A 753 -3.871 7.381 -6.428 1.00 1.00 O ATOM 449 CB HIS A 753 -4.046 10.312 -7.675 1.00 1.00 C ATOM 450 CG HIS A 753 -4.764 11.481 -8.292 1.00 1.00 C ATOM 451 ND1 HIS A 753 -5.956 12.043 -7.901 1.00 1.00 N ATOM 452 CD2 HIS A 753 -4.295 12.198 -9.358 1.00 1.00 C ATOM 453 CE1 HIS A 753 -6.199 13.087 -8.708 1.00 1.00 C ATOM 454 NE2 HIS A 753 -5.199 13.239 -9.595 1.00 1.00 N ATOM 0 H HIS A 753 -4.522 11.554 -5.542 1.00 1.00 H new ATOM 0 HA HIS A 753 -5.631 9.269 -6.603 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.034 10.639 -7.437 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -3.960 9.540 -8.440 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -3.392 11.997 -9.915 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -7.075 13.717 -8.653 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -5.116 13.970 -10.302 1.00 1.00 H new ATOM 462 N ASP A 754 -2.578 8.885 -5.352 1.00 1.00 N ATOM 463 CA ASP A 754 -1.515 7.996 -5.005 1.00 1.00 C ATOM 464 C ASP A 754 -2.057 6.990 -3.984 1.00 1.00 C ATOM 465 O ASP A 754 -1.903 5.781 -4.149 1.00 1.00 O ATOM 466 CB ASP A 754 -0.398 8.872 -4.421 1.00 1.00 C ATOM 467 CG ASP A 754 -0.040 10.127 -5.208 1.00 1.00 C ATOM 468 OD1 ASP A 754 0.785 10.047 -6.142 1.00 1.00 O ATOM 469 OD2 ASP A 754 -0.613 11.186 -4.863 1.00 1.00 O ATOM 0 H ASP A 754 -2.431 9.835 -5.011 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.125 7.431 -5.852 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.690 9.172 -3.414 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.500 8.262 -4.324 1.00 1.00 H new ATOM 474 N ARG A 755 -2.736 7.489 -2.938 1.00 1.00 N ATOM 475 CA ARG A 755 -3.258 6.678 -1.841 1.00 1.00 C ATOM 476 C ARG A 755 -4.354 5.761 -2.363 1.00 1.00 C ATOM 477 O ARG A 755 -4.352 4.573 -2.043 1.00 1.00 O ATOM 478 CB ARG A 755 -3.784 7.564 -0.686 1.00 1.00 C ATOM 479 CG ARG A 755 -4.259 6.682 0.480 1.00 1.00 C ATOM 480 CD ARG A 755 -4.641 7.441 1.764 1.00 1.00 C ATOM 481 NE ARG A 755 -5.717 8.429 1.568 1.00 1.00 N ATOM 482 CZ ARG A 755 -6.973 8.177 1.182 1.00 1.00 C ATOM 483 NH1 ARG A 755 -7.414 6.929 1.089 1.00 1.00 N ATOM 484 NH2 ARG A 755 -7.786 9.169 0.861 1.00 1.00 N ATOM 0 H ARG A 755 -2.937 8.484 -2.835 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.446 6.072 -1.439 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.997 8.237 -0.346 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -4.606 8.187 -1.040 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -5.122 6.104 0.149 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -3.470 5.969 0.720 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -4.953 6.722 2.522 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -3.758 7.950 2.151 1.00 1.00 H new ATOM 0 HE ARG A 755 -5.480 9.405 1.745 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -6.794 6.151 1.313 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -8.373 6.748 0.794 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -7.457 10.133 0.907 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -8.742 8.970 0.568 1.00 1.00 H new ATOM 498 N LEU A 756 -5.286 6.303 -3.154 1.00 1.00 N ATOM 499 CA LEU A 756 -6.388 5.528 -3.693 1.00 1.00 C ATOM 500 C LEU A 756 -5.835 4.396 -4.548 1.00 1.00 C ATOM 501 O LEU A 756 -6.307 3.268 -4.431 1.00 1.00 O ATOM 502 CB LEU A 756 -7.355 6.434 -4.437 1.00 1.00 C ATOM 503 CG LEU A 756 -8.481 5.690 -5.181 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.423 4.956 -4.219 1.00 1.00 C ATOM 505 CD2 LEU A 756 -9.290 6.686 -6.013 1.00 1.00 C ATOM 0 H LEU A 756 -5.291 7.284 -3.432 1.00 1.00 H new ATOM 0 HA LEU A 756 -6.964 5.070 -2.889 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.803 7.128 -3.726 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.794 7.031 -5.156 1.00 1.00 H new ATOM 0 HG LEU A 756 -8.012 4.945 -5.824 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.200 4.447 -4.789 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -8.857 4.224 -3.643 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.883 5.675 -3.541 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -10.086 6.159 -6.539 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -9.726 7.439 -5.357 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -8.636 7.171 -6.738 1.00 1.00 H new ATOM 517 N ARG A 757 -4.802 4.654 -5.362 1.00 1.00 N ATOM 518 CA ARG A 757 -4.185 3.582 -6.124 1.00 1.00 C ATOM 519 C ARG A 757 -3.604 2.534 -5.178 1.00 1.00 C ATOM 520 O ARG A 757 -3.901 1.370 -5.394 1.00 1.00 O ATOM 521 CB ARG A 757 -3.161 4.115 -7.124 1.00 1.00 C ATOM 522 CG ARG A 757 -2.881 3.123 -8.264 1.00 1.00 C ATOM 523 CD ARG A 757 -3.969 3.102 -9.352 1.00 1.00 C ATOM 524 NE ARG A 757 -3.802 1.951 -10.263 1.00 1.00 N ATOM 525 CZ ARG A 757 -4.300 0.715 -10.084 1.00 1.00 C ATOM 526 NH1 ARG A 757 -5.097 0.446 -9.054 1.00 1.00 N ATOM 527 NH2 ARG A 757 -3.996 -0.254 -10.937 1.00 1.00 N ATOM 0 H ARG A 757 -4.390 5.577 -5.502 1.00 1.00 H new ATOM 0 HA ARG A 757 -4.952 3.092 -6.723 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -3.522 5.054 -7.544 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.230 4.337 -6.603 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -1.925 3.374 -8.724 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -2.780 2.122 -7.845 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -4.952 3.057 -8.884 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -3.931 4.029 -9.924 1.00 1.00 H new ATOM 0 HE ARG A 757 -3.256 2.109 -11.110 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -5.337 1.181 -8.389 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -5.469 -0.496 -8.929 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -3.384 -0.062 -11.730 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -4.374 -1.191 -10.800 1.00 1.00 H new ATOM 541 N VAL A 758 -2.825 2.893 -4.151 1.00 1.00 N ATOM 542 CA VAL A 758 -2.274 1.906 -3.210 1.00 1.00 C ATOM 543 C VAL A 758 -3.386 1.004 -2.652 1.00 1.00 C ATOM 544 O VAL A 758 -3.224 -0.219 -2.681 1.00 1.00 O ATOM 545 CB VAL A 758 -1.417 2.591 -2.119 1.00 1.00 C ATOM 546 CG1 VAL A 758 -1.007 1.644 -0.979 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.126 3.142 -2.747 1.00 1.00 C ATOM 0 H VAL A 758 -2.561 3.857 -3.949 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.592 1.246 -3.747 1.00 1.00 H new ATOM 0 HB VAL A 758 -2.040 3.381 -1.699 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.408 2.190 -0.250 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.900 1.251 -0.494 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.421 0.819 -1.384 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.476 3.624 -1.977 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.441 2.324 -3.191 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.378 3.869 -3.519 1.00 1.00 H new ATOM 557 N HIS A 759 -4.514 1.577 -2.209 1.00 1.00 N ATOM 558 CA HIS A 759 -5.667 0.800 -1.758 1.00 1.00 C ATOM 559 C HIS A 759 -6.123 -0.165 -2.852 1.00 1.00 C ATOM 560 O HIS A 759 -6.224 -1.363 -2.614 1.00 1.00 O ATOM 561 CB HIS A 759 -6.831 1.718 -1.354 1.00 1.00 C ATOM 562 CG HIS A 759 -6.586 2.521 -0.104 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.191 2.022 1.114 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.780 3.866 0.044 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.135 3.044 1.979 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.481 4.193 1.374 1.00 1.00 N ATOM 0 H HIS A 759 -4.648 2.587 -2.155 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.360 0.228 -0.883 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -7.040 2.403 -2.176 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.724 1.110 -1.211 1.00 1.00 H new ATOM 0 HD1 HIS A 759 -5.978 1.047 1.323 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -7.105 4.552 -0.724 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -5.851 2.956 3.017 1.00 1.00 H new ATOM 574 N GLN A 760 -6.385 0.350 -4.051 1.00 1.00 N ATOM 575 CA GLN A 760 -6.906 -0.405 -5.177 1.00 1.00 C ATOM 576 C GLN A 760 -5.975 -1.559 -5.565 1.00 1.00 C ATOM 577 O GLN A 760 -6.459 -2.665 -5.769 1.00 1.00 O ATOM 578 CB GLN A 760 -7.135 0.565 -6.339 1.00 1.00 C ATOM 579 CG GLN A 760 -8.356 1.469 -6.122 1.00 1.00 C ATOM 580 CD GLN A 760 -8.488 2.527 -7.213 1.00 1.00 C ATOM 581 OE1 GLN A 760 -7.552 2.808 -7.966 1.00 1.00 O ATOM 582 NE2 GLN A 760 -9.662 3.130 -7.330 1.00 1.00 N ATOM 0 H GLN A 760 -6.234 1.335 -4.268 1.00 1.00 H new ATOM 0 HA GLN A 760 -7.853 -0.870 -4.902 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.248 1.184 -6.470 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.267 -0.002 -7.260 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.259 0.859 -6.098 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.276 1.958 -5.151 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.426 2.886 -6.699 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -9.802 3.838 -8.051 1.00 1.00 H new ATOM 591 N ILE A 761 -4.667 -1.351 -5.743 1.00 1.00 N ATOM 592 CA ILE A 761 -3.682 -2.389 -6.002 1.00 1.00 C ATOM 593 C ILE A 761 -3.782 -3.463 -4.917 1.00 1.00 C ATOM 594 O ILE A 761 -3.866 -4.650 -5.223 1.00 1.00 O ATOM 595 CB ILE A 761 -2.302 -1.705 -6.022 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.250 -0.607 -7.103 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.199 -2.735 -6.292 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.030 0.325 -7.012 1.00 1.00 C ATOM 0 H ILE A 761 -4.256 -0.418 -5.708 1.00 1.00 H new ATOM 0 HA ILE A 761 -3.849 -2.887 -6.957 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.141 -1.249 -5.045 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.256 -1.081 -8.084 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.156 -0.005 -7.035 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.230 -2.236 -6.303 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.208 -3.492 -5.508 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -1.373 -3.210 -7.257 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.077 1.065 -7.811 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.031 0.832 -6.047 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.116 -0.261 -7.113 1.00 1.00 H new ATOM 610 N ALA A 762 -3.778 -3.052 -3.650 1.00 1.00 N ATOM 611 CA ALA A 762 -3.869 -3.982 -2.540 1.00 1.00 C ATOM 612 C ALA A 762 -5.155 -4.812 -2.585 1.00 1.00 C ATOM 613 O ALA A 762 -5.106 -6.018 -2.339 1.00 1.00 O ATOM 614 CB ALA A 762 -3.718 -3.193 -1.238 1.00 1.00 C ATOM 0 H ALA A 762 -3.712 -2.073 -3.372 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.063 -4.712 -2.607 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -3.784 -3.875 -0.390 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.750 -2.692 -1.227 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.512 -2.450 -1.169 1.00 1.00 H new ATOM 620 N GLU A 763 -6.273 -4.172 -2.914 1.00 1.00 N ATOM 621 CA GLU A 763 -7.588 -4.780 -3.010 1.00 1.00 C ATOM 622 C GLU A 763 -7.658 -5.769 -4.176 1.00 1.00 C ATOM 623 O GLU A 763 -8.231 -6.849 -4.036 1.00 1.00 O ATOM 624 CB GLU A 763 -8.618 -3.656 -3.223 1.00 1.00 C ATOM 625 CG GLU A 763 -10.055 -4.139 -3.035 1.00 1.00 C ATOM 626 CD GLU A 763 -11.052 -3.126 -3.587 1.00 1.00 C ATOM 627 OE1 GLU A 763 -11.142 -3.005 -4.827 1.00 1.00 O ATOM 628 OE2 GLU A 763 -11.801 -2.499 -2.799 1.00 1.00 O ATOM 0 H GLU A 763 -6.284 -3.175 -3.129 1.00 1.00 H new ATOM 0 HA GLU A 763 -7.798 -5.332 -2.094 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.416 -2.845 -2.524 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -8.503 -3.247 -4.227 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.189 -5.097 -3.538 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.250 -4.306 -1.976 1.00 1.00 H new ATOM 635 N GLU A 764 -7.104 -5.399 -5.335 1.00 1.00 N ATOM 636 CA GLU A 764 -7.004 -6.196 -6.539 1.00 1.00 C ATOM 637 C GLU A 764 -6.161 -7.438 -6.288 1.00 1.00 C ATOM 638 O GLU A 764 -6.451 -8.508 -6.817 1.00 1.00 O ATOM 639 CB GLU A 764 -6.376 -5.297 -7.610 1.00 1.00 C ATOM 640 CG GLU A 764 -6.523 -5.835 -9.026 1.00 1.00 C ATOM 641 CD GLU A 764 -5.234 -6.418 -9.611 1.00 1.00 C ATOM 642 OE1 GLU A 764 -4.472 -5.649 -10.246 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.016 -7.648 -9.492 1.00 1.00 O ATOM 0 H GLU A 764 -6.690 -4.474 -5.454 1.00 1.00 H new ATOM 0 HA GLU A 764 -7.983 -6.547 -6.865 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -6.835 -4.310 -7.557 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.317 -5.169 -7.388 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -7.293 -6.606 -9.032 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -6.872 -5.031 -9.674 1.00 1.00 H new ATOM 650 N HIS A 765 -5.125 -7.302 -5.467 1.00 1.00 N ATOM 651 CA HIS A 765 -4.284 -8.381 -5.037 1.00 1.00 C ATOM 652 C HIS A 765 -4.891 -8.958 -3.748 1.00 1.00 C ATOM 653 O HIS A 765 -6.109 -8.983 -3.560 1.00 1.00 O ATOM 654 CB HIS A 765 -2.850 -7.873 -4.955 1.00 1.00 C ATOM 655 CG HIS A 765 -2.343 -7.301 -6.260 1.00 1.00 C ATOM 656 ND1 HIS A 765 -2.726 -7.607 -7.550 1.00 1.00 N ATOM 657 CD2 HIS A 765 -1.483 -6.254 -6.343 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.087 -6.761 -8.378 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.278 -5.941 -7.688 1.00 1.00 N ATOM 0 H HIS A 765 -4.850 -6.401 -5.077 1.00 1.00 H new ATOM 0 HA HIS A 765 -4.237 -9.217 -5.734 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -2.787 -7.107 -4.182 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.199 -8.691 -4.648 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.031 -5.746 -5.504 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -2.208 -6.744 -9.451 1.00 1.00 H new ATOM 0 HE2 HIS A 765 -0.646 -5.236 -8.067 1.00 1.00 H new ATOM 667 N GLY A 766 -4.049 -9.472 -2.862 1.00 1.00 N ATOM 668 CA GLY A 766 -4.407 -10.146 -1.640 1.00 1.00 C ATOM 669 C GLY A 766 -3.881 -9.405 -0.424 1.00 1.00 C ATOM 670 O GLY A 766 -3.168 -10.013 0.387 1.00 1.00 O ATOM 0 H GLY A 766 -3.039 -9.422 -2.993 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -5.492 -10.232 -1.574 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -4.007 -11.160 -1.651 1.00 1.00 H new ATOM 674 N LEU A 767 -4.177 -8.102 -0.308 1.00 1.00 N ATOM 675 CA LEU A 767 -3.619 -7.297 0.766 1.00 1.00 C ATOM 676 C LEU A 767 -4.663 -6.547 1.573 1.00 1.00 C ATOM 677 O LEU A 767 -5.646 -6.028 1.042 1.00 1.00 O ATOM 678 CB LEU A 767 -2.675 -6.225 0.207 1.00 1.00 C ATOM 679 CG LEU A 767 -1.565 -6.660 -0.739 1.00 1.00 C ATOM 680 CD1 LEU A 767 -0.674 -5.486 -1.110 1.00 1.00 C ATOM 681 CD2 LEU A 767 -0.647 -7.679 -0.092 1.00 1.00 C ATOM 0 H LEU A 767 -4.794 -7.596 -0.943 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.107 -8.014 1.407 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.284 -5.485 -0.313 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.211 -5.718 1.053 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.066 -7.079 -1.611 1.00 1.00 H new ATOM 0 HD11 LEU A 767 0.111 -5.824 -1.787 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.271 -4.718 -1.602 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.222 -5.073 -0.208 1.00 1.00 H new ATOM 0 HD21 LEU A 767 0.133 -7.966 -0.797 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.190 -7.244 0.797 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.223 -8.560 0.190 1.00 1.00 H new ATOM 693 N ARG A 768 -4.394 -6.443 2.873 1.00 1.00 N ATOM 694 CA ARG A 768 -5.181 -5.667 3.815 1.00 1.00 C ATOM 695 C ARG A 768 -4.559 -4.277 3.708 1.00 1.00 C ATOM 696 O ARG A 768 -3.401 -4.130 4.092 1.00 1.00 O ATOM 697 CB ARG A 768 -5.045 -6.252 5.235 1.00 1.00 C ATOM 698 CG ARG A 768 -5.867 -5.438 6.243 1.00 1.00 C ATOM 699 CD ARG A 768 -5.603 -5.813 7.705 1.00 1.00 C ATOM 700 NE ARG A 768 -6.402 -4.961 8.598 1.00 1.00 N ATOM 701 CZ ARG A 768 -6.457 -5.008 9.932 1.00 1.00 C ATOM 702 NH1 ARG A 768 -5.786 -5.937 10.608 1.00 1.00 N ATOM 703 NH2 ARG A 768 -7.197 -4.122 10.588 1.00 1.00 N ATOM 0 H ARG A 768 -3.599 -6.912 3.307 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.251 -5.664 3.606 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.380 -7.289 5.239 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -3.996 -6.255 5.533 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.649 -4.379 6.104 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -6.927 -5.576 6.028 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -5.853 -6.861 7.870 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -4.543 -5.698 7.932 1.00 1.00 H new ATOM 0 HE ARG A 768 -6.981 -4.253 8.147 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -5.222 -6.624 10.108 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -5.836 -5.962 11.626 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -7.718 -3.412 10.073 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -7.244 -4.151 11.606 1.00 1.00 H new ATOM 717 N HIS A 769 -5.245 -3.301 3.126 1.00 1.00 N ATOM 718 CA HIS A 769 -4.770 -1.923 3.030 1.00 1.00 C ATOM 719 C HIS A 769 -5.439 -1.125 4.140 1.00 1.00 C ATOM 720 O HIS A 769 -6.624 -1.328 4.402 1.00 1.00 O ATOM 721 CB HIS A 769 -5.156 -1.335 1.663 1.00 1.00 C ATOM 722 CG HIS A 769 -6.571 -1.613 1.205 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.697 -0.846 1.435 1.00 1.00 N ATOM 724 CD2 HIS A 769 -6.965 -2.712 0.487 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.733 -1.465 0.852 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.342 -2.618 0.281 1.00 1.00 N ATOM 0 H HIS A 769 -6.161 -3.445 2.701 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.685 -1.884 3.131 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.011 -0.255 1.698 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.468 -1.725 0.913 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.324 -3.509 0.142 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.745 -1.089 0.842 1.00 1.00 H new ATOM 0 HE2 HIS A 769 -8.934 -3.290 -0.206 1.00 1.00 H new ATOM 734 N ASP A 770 -4.708 -0.206 4.768 1.00 1.00 N ATOM 735 CA ASP A 770 -5.242 0.632 5.843 1.00 1.00 C ATOM 736 C ASP A 770 -4.342 1.849 6.075 1.00 1.00 C ATOM 737 O ASP A 770 -3.170 1.804 5.707 1.00 1.00 O ATOM 738 CB ASP A 770 -5.271 -0.208 7.129 1.00 1.00 C ATOM 739 CG ASP A 770 -6.012 0.466 8.277 1.00 1.00 C ATOM 740 OD1 ASP A 770 -6.836 1.372 8.024 1.00 1.00 O ATOM 741 OD2 ASP A 770 -5.847 -0.026 9.418 1.00 1.00 O ATOM 0 H ASP A 770 -3.730 -0.020 4.547 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.239 0.979 5.571 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.742 -1.168 6.916 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.248 -0.417 7.440 1.00 1.00 H new ATOM 746 N SER A 771 -4.836 2.926 6.691 1.00 1.00 N ATOM 747 CA SER A 771 -3.971 4.053 7.038 1.00 1.00 C ATOM 748 C SER A 771 -3.516 3.798 8.468 1.00 1.00 C ATOM 749 O SER A 771 -4.195 3.109 9.232 1.00 1.00 O ATOM 750 CB SER A 771 -4.660 5.412 6.961 1.00 1.00 C ATOM 751 OG SER A 771 -5.081 5.716 5.645 1.00 1.00 O ATOM 0 H SER A 771 -5.814 3.040 6.956 1.00 1.00 H new ATOM 0 HA SER A 771 -3.152 4.105 6.321 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.521 5.421 7.629 1.00 1.00 H new ATOM 0 HB3 SER A 771 -3.977 6.186 7.312 1.00 1.00 H new ATOM 0 HG SER A 771 -5.220 6.682 5.561 1.00 1.00 H new ATOM 757 N SER A 772 -2.401 4.395 8.858 1.00 1.00 N ATOM 758 CA SER A 772 -1.785 4.156 10.152 1.00 1.00 C ATOM 759 C SER A 772 -1.169 5.446 10.692 1.00 1.00 C ATOM 760 O SER A 772 -1.010 6.421 9.953 1.00 1.00 O ATOM 761 CB SER A 772 -0.725 3.057 9.984 1.00 1.00 C ATOM 762 OG SER A 772 -1.173 1.942 9.223 1.00 1.00 O ATOM 0 H SER A 772 -1.894 5.065 8.280 1.00 1.00 H new ATOM 0 HA SER A 772 -2.533 3.828 10.874 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.155 3.484 9.503 1.00 1.00 H new ATOM 0 HB3 SER A 772 -0.413 2.711 10.970 1.00 1.00 H new ATOM 0 HG SER A 772 -0.400 1.469 8.849 1.00 1.00 H new ATOM 768 N GLY A 773 -0.820 5.453 11.976 1.00 1.00 N ATOM 769 CA GLY A 773 -0.246 6.593 12.675 1.00 1.00 C ATOM 770 C GLY A 773 -1.267 7.173 13.643 1.00 1.00 C ATOM 771 O GLY A 773 -2.464 6.911 13.522 1.00 1.00 O ATOM 0 H GLY A 773 -0.934 4.636 12.576 1.00 1.00 H new ATOM 0 HA2 GLY A 773 0.649 6.286 13.217 1.00 1.00 H new ATOM 0 HA3 GLY A 773 0.061 7.354 11.958 1.00 1.00 H new ATOM 775 N GLU A 774 -0.782 7.959 14.599 1.00 1.00 N ATOM 776 CA GLU A 774 -1.565 8.528 15.688 1.00 1.00 C ATOM 777 C GLU A 774 -1.355 10.040 15.706 1.00 1.00 C ATOM 778 O GLU A 774 -2.261 10.841 15.472 1.00 1.00 O ATOM 779 CB GLU A 774 -1.073 7.843 16.975 1.00 1.00 C ATOM 780 CG GLU A 774 -1.794 8.260 18.260 1.00 1.00 C ATOM 781 CD GLU A 774 -3.203 7.679 18.315 1.00 1.00 C ATOM 782 OE1 GLU A 774 -3.341 6.437 18.360 1.00 1.00 O ATOM 783 OE2 GLU A 774 -4.176 8.463 18.213 1.00 1.00 O ATOM 0 H GLU A 774 0.202 8.226 14.637 1.00 1.00 H new ATOM 0 HA GLU A 774 -2.637 8.361 15.579 1.00 1.00 H new ATOM 0 HB2 GLU A 774 -1.177 6.765 16.854 1.00 1.00 H new ATOM 0 HB3 GLU A 774 -0.009 8.050 17.092 1.00 1.00 H new ATOM 0 HG2 GLU A 774 -1.224 7.922 19.126 1.00 1.00 H new ATOM 0 HG3 GLU A 774 -1.844 9.347 18.316 1.00 1.00 H new ATOM 790 N GLY A 775 -0.115 10.419 16.003 1.00 1.00 N ATOM 791 CA GLY A 775 0.392 11.770 15.995 1.00 1.00 C ATOM 792 C GLY A 775 0.552 12.270 14.566 1.00 1.00 C ATOM 793 O GLY A 775 0.111 11.655 13.594 1.00 1.00 O ATOM 0 H GLY A 775 0.599 9.742 16.271 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -0.288 12.423 16.541 1.00 1.00 H new ATOM 0 HA3 GLY A 775 1.352 11.808 16.510 1.00 1.00 H new ATOM 797 N LYS A 776 1.231 13.403 14.442 1.00 1.00 N ATOM 798 CA LYS A 776 1.431 14.149 13.203 1.00 1.00 C ATOM 799 C LYS A 776 2.327 13.442 12.166 1.00 1.00 C ATOM 800 O LYS A 776 2.947 14.131 11.354 1.00 1.00 O ATOM 801 CB LYS A 776 1.903 15.571 13.578 1.00 1.00 C ATOM 802 CG LYS A 776 0.871 16.315 14.452 1.00 1.00 C ATOM 803 CD LYS A 776 1.406 17.611 15.059 1.00 1.00 C ATOM 804 CE LYS A 776 1.735 18.664 14.003 1.00 1.00 C ATOM 805 NZ LYS A 776 2.396 19.819 14.627 1.00 1.00 N ATOM 0 H LYS A 776 1.680 13.850 15.241 1.00 1.00 H new ATOM 0 HA LYS A 776 0.481 14.211 12.672 1.00 1.00 H new ATOM 0 HB2 LYS A 776 2.851 15.508 14.112 1.00 1.00 H new ATOM 0 HB3 LYS A 776 2.086 16.143 12.668 1.00 1.00 H new ATOM 0 HG2 LYS A 776 -0.008 16.542 13.848 1.00 1.00 H new ATOM 0 HG3 LYS A 776 0.544 15.655 15.255 1.00 1.00 H new ATOM 0 HD2 LYS A 776 0.668 18.015 15.752 1.00 1.00 H new ATOM 0 HD3 LYS A 776 2.302 17.393 15.640 1.00 1.00 H new ATOM 0 HE2 LYS A 776 2.383 18.234 13.239 1.00 1.00 H new ATOM 0 HE3 LYS A 776 0.822 18.985 13.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 2.615 20.529 13.899 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 1.764 20.237 15.339 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 3.277 19.509 15.085 1.00 1.00 H new ATOM 818 N ARG A 777 2.463 12.112 12.169 1.00 1.00 N ATOM 819 CA ARG A 777 3.193 11.324 11.169 1.00 1.00 C ATOM 820 C ARG A 777 2.288 10.173 10.739 1.00 1.00 C ATOM 821 O ARG A 777 2.559 9.010 11.050 1.00 1.00 O ATOM 822 CB ARG A 777 4.581 10.850 11.636 1.00 1.00 C ATOM 823 CG ARG A 777 5.531 11.997 12.002 1.00 1.00 C ATOM 824 CD ARG A 777 7.020 11.652 11.881 1.00 1.00 C ATOM 825 NE ARG A 777 7.472 11.800 10.485 1.00 1.00 N ATOM 826 CZ ARG A 777 8.419 12.626 10.019 1.00 1.00 C ATOM 827 NH1 ARG A 777 9.230 13.285 10.838 1.00 1.00 N ATOM 828 NH2 ARG A 777 8.541 12.812 8.708 1.00 1.00 N ATOM 0 H ARG A 777 2.050 11.530 12.898 1.00 1.00 H new ATOM 0 HA ARG A 777 3.422 11.962 10.315 1.00 1.00 H new ATOM 0 HB2 ARG A 777 4.461 10.199 12.502 1.00 1.00 H new ATOM 0 HB3 ARG A 777 5.035 10.251 10.847 1.00 1.00 H new ATOM 0 HG2 ARG A 777 5.315 12.850 11.359 1.00 1.00 H new ATOM 0 HG3 ARG A 777 5.325 12.310 13.026 1.00 1.00 H new ATOM 0 HD2 ARG A 777 7.604 12.304 12.530 1.00 1.00 H new ATOM 0 HD3 ARG A 777 7.191 10.630 12.219 1.00 1.00 H new ATOM 0 HE ARG A 777 7.011 11.206 9.796 1.00 1.00 H new ATOM 0 HH11 ARG A 777 9.140 13.168 11.847 1.00 1.00 H new ATOM 0 HH12 ARG A 777 9.943 13.908 10.458 1.00 1.00 H new ATOM 0 HH21 ARG A 777 7.916 12.327 8.064 1.00 1.00 H new ATOM 0 HH22 ARG A 777 9.260 13.439 8.347 1.00 1.00 H new ATOM 842 N ARG A 778 1.175 10.492 10.075 1.00 1.00 N ATOM 843 CA ARG A 778 0.276 9.481 9.509 1.00 1.00 C ATOM 844 C ARG A 778 1.022 8.745 8.389 1.00 1.00 C ATOM 845 O ARG A 778 2.078 9.198 7.948 1.00 1.00 O ATOM 846 CB ARG A 778 -1.004 10.174 9.011 1.00 1.00 C ATOM 847 CG ARG A 778 -2.213 9.232 8.859 1.00 1.00 C ATOM 848 CD ARG A 778 -3.339 9.991 8.158 1.00 1.00 C ATOM 849 NE ARG A 778 -4.581 9.209 8.036 1.00 1.00 N ATOM 850 CZ ARG A 778 -5.444 9.293 7.017 1.00 1.00 C ATOM 851 NH1 ARG A 778 -5.273 10.186 6.048 1.00 1.00 N ATOM 852 NH2 ARG A 778 -6.493 8.484 6.961 1.00 1.00 N ATOM 0 H ARG A 778 0.872 11.453 9.914 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.022 8.744 10.255 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.265 10.973 9.705 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -0.799 10.642 8.048 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -1.935 8.350 8.282 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.545 8.882 9.836 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -3.548 10.908 8.709 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -3.005 10.286 7.163 1.00 1.00 H new ATOM 0 HE ARG A 778 -4.800 8.553 8.786 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -4.475 10.820 6.074 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -5.940 10.237 5.278 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -6.645 7.794 7.697 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -7.148 8.552 6.182 1.00 1.00 H new ATOM 866 N PHE A 779 0.548 7.584 7.957 1.00 1.00 N ATOM 867 CA PHE A 779 1.073 6.817 6.834 1.00 1.00 C ATOM 868 C PHE A 779 -0.026 5.899 6.288 1.00 1.00 C ATOM 869 O PHE A 779 -1.190 5.994 6.693 1.00 1.00 O ATOM 870 CB PHE A 779 2.373 6.081 7.219 1.00 1.00 C ATOM 871 CG PHE A 779 2.324 5.113 8.387 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.198 5.589 9.709 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.532 3.738 8.165 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.299 4.707 10.796 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.636 2.862 9.258 1.00 1.00 C ATOM 876 CZ PHE A 779 2.527 3.342 10.572 1.00 1.00 C ATOM 0 H PHE A 779 -0.250 7.130 8.400 1.00 1.00 H new ATOM 0 HA PHE A 779 1.359 7.488 6.024 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.717 5.531 6.343 1.00 1.00 H new ATOM 0 HB3 PHE A 779 3.130 6.833 7.440 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.023 6.640 9.886 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.611 3.358 7.157 1.00 1.00 H new ATOM 0 HE1 PHE A 779 2.201 5.080 11.805 1.00 1.00 H new ATOM 0 HE2 PHE A 779 2.801 1.809 9.085 1.00 1.00 H new ATOM 0 HZ PHE A 779 2.618 2.663 11.407 1.00 1.00 H new ATOM 886 N ILE A 780 0.330 5.044 5.336 1.00 1.00 N ATOM 887 CA ILE A 780 -0.485 4.003 4.727 1.00 1.00 C ATOM 888 C ILE A 780 0.272 2.688 4.845 1.00 1.00 C ATOM 889 O ILE A 780 1.451 2.613 4.518 1.00 1.00 O ATOM 890 CB ILE A 780 -0.981 4.426 3.322 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.601 3.285 2.471 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.034 5.305 2.507 1.00 1.00 C ATOM 893 CD1 ILE A 780 -3.111 3.179 2.608 1.00 1.00 C ATOM 0 H ILE A 780 1.270 5.064 4.940 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.427 3.844 5.252 1.00 1.00 H new ATOM 0 HB ILE A 780 -1.806 5.086 3.588 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -1.350 3.446 1.423 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -1.150 2.337 2.765 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.490 5.535 1.544 1.00 1.00 H new ATOM 0 HG22 ILE A 780 0.159 6.231 3.048 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.906 4.776 2.346 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.476 2.361 1.986 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.369 2.987 3.649 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -3.572 4.113 2.287 1.00 1.00 H new ATOM 905 N THR A 781 -0.394 1.661 5.348 1.00 1.00 N ATOM 906 CA THR A 781 0.132 0.321 5.469 1.00 1.00 C ATOM 907 C THR A 781 -0.667 -0.585 4.548 1.00 1.00 C ATOM 908 O THR A 781 -1.863 -0.398 4.318 1.00 1.00 O ATOM 909 CB THR A 781 -0.026 -0.163 6.926 1.00 1.00 C ATOM 910 OG1 THR A 781 0.771 0.600 7.810 1.00 1.00 O ATOM 911 CG2 THR A 781 0.367 -1.631 7.115 1.00 1.00 C ATOM 0 H THR A 781 -1.350 1.746 5.694 1.00 1.00 H new ATOM 0 HA THR A 781 1.188 0.302 5.199 1.00 1.00 H new ATOM 0 HB THR A 781 -1.086 -0.042 7.150 1.00 1.00 H new ATOM 0 HG1 THR A 781 1.127 1.381 7.338 1.00 1.00 H new ATOM 0 HG21 THR A 781 0.234 -1.912 8.160 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.264 -2.260 6.487 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.411 -1.767 6.833 1.00 1.00 H new ATOM 919 N VAL A 782 0.011 -1.586 4.013 1.00 1.00 N ATOM 920 CA VAL A 782 -0.582 -2.628 3.218 1.00 1.00 C ATOM 921 C VAL A 782 0.104 -3.887 3.720 1.00 1.00 C ATOM 922 O VAL A 782 1.327 -3.919 3.875 1.00 1.00 O ATOM 923 CB VAL A 782 -0.462 -2.418 1.706 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.523 -1.457 1.185 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.865 -1.828 1.253 1.00 1.00 C ATOM 0 H VAL A 782 1.019 -1.692 4.128 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.665 -2.666 3.338 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.574 -3.427 1.308 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.405 -1.334 0.108 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.514 -1.859 1.398 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.410 -0.490 1.675 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.861 -1.714 0.169 1.00 1.00 H new ATOM 0 HG22 VAL A 782 1.008 -0.853 1.720 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.678 -2.493 1.545 1.00 1.00 H new ATOM 935 N SER A 783 -0.684 -4.916 3.988 1.00 1.00 N ATOM 936 CA SER A 783 -0.201 -6.151 4.578 1.00 1.00 C ATOM 937 C SER A 783 -0.597 -7.330 3.728 1.00 1.00 C ATOM 938 O SER A 783 -1.678 -7.374 3.151 1.00 1.00 O ATOM 939 CB SER A 783 -0.727 -6.330 5.994 1.00 1.00 C ATOM 940 OG SER A 783 -0.295 -5.260 6.808 1.00 1.00 O ATOM 0 H SER A 783 -1.686 -4.916 3.800 1.00 1.00 H new ATOM 0 HA SER A 783 0.887 -6.094 4.624 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.816 -6.373 5.984 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.374 -7.276 6.405 1.00 1.00 H new ATOM 0 HG SER A 783 -0.639 -5.381 7.718 1.00 1.00 H new ATOM 946 N LYS A 784 0.299 -8.300 3.686 1.00 1.00 N ATOM 947 CA LYS A 784 0.218 -9.500 2.878 1.00 1.00 C ATOM 948 C LYS A 784 -0.592 -10.567 3.540 1.00 1.00 C ATOM 949 O LYS A 784 -0.202 -11.030 4.613 1.00 1.00 O ATOM 950 CB LYS A 784 1.617 -10.029 2.534 1.00 1.00 C ATOM 951 CG LYS A 784 2.199 -9.272 1.339 1.00 1.00 C ATOM 952 CD LYS A 784 1.985 -9.960 -0.027 1.00 1.00 C ATOM 953 CE LYS A 784 0.757 -10.877 -0.213 1.00 1.00 C ATOM 954 NZ LYS A 784 1.029 -12.288 0.132 1.00 1.00 N ATOM 0 H LYS A 784 1.150 -8.268 4.247 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.289 -9.225 1.953 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.275 -9.920 3.396 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.563 -11.094 2.306 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.753 -8.278 1.304 1.00 1.00 H new ATOM 0 HG3 LYS A 784 3.269 -9.136 1.498 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.932 -9.179 -0.785 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.875 -10.552 -0.241 1.00 1.00 H new ATOM 0 HE2 LYS A 784 -0.061 -10.509 0.407 1.00 1.00 H new ATOM 0 HE3 LYS A 784 0.423 -10.821 -1.249 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 0.186 -12.706 0.574 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 1.265 -12.817 -0.732 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 1.828 -12.335 0.796 1.00 1.00 H new ATOM 967 N ARG A 785 -1.729 -10.914 2.935 1.00 1.00 N ATOM 968 CA ARG A 785 -2.473 -12.033 3.468 1.00 1.00 C ATOM 969 C ARG A 785 -1.660 -13.198 2.915 1.00 1.00 C ATOM 970 O ARG A 785 -1.592 -13.336 1.690 1.00 1.00 O ATOM 971 CB ARG A 785 -3.922 -12.017 2.950 1.00 1.00 C ATOM 972 CG ARG A 785 -4.665 -10.732 3.367 1.00 1.00 C ATOM 973 CD ARG A 785 -6.068 -10.648 2.763 1.00 1.00 C ATOM 974 NE ARG A 785 -6.932 -11.728 3.261 1.00 1.00 N ATOM 975 CZ ARG A 785 -8.251 -11.657 3.456 1.00 1.00 C ATOM 976 NH1 ARG A 785 -8.943 -10.569 3.142 1.00 1.00 N ATOM 977 NH2 ARG A 785 -8.873 -12.701 3.981 1.00 1.00 N ATOM 0 H ARG A 785 -2.132 -10.457 2.117 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.581 -12.054 4.552 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -3.920 -12.099 1.863 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.455 -12.886 3.335 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -4.737 -10.694 4.454 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.085 -9.863 3.055 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -6.513 -9.683 3.006 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.002 -10.705 1.676 1.00 1.00 H new ATOM 0 HE ARG A 785 -6.481 -12.617 3.478 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -8.468 -9.760 2.741 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -9.950 -10.541 3.301 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -8.345 -13.538 4.228 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -9.880 -12.668 4.139 1.00 1.00 H new ATOM 991 N ALA A 786 -0.992 -13.967 3.772 1.00 1.00 N ATOM 992 CA ALA A 786 -0.258 -15.157 3.385 1.00 1.00 C ATOM 993 C ALA A 786 -1.295 -16.255 3.292 1.00 1.00 C ATOM 994 O ALA A 786 -2.073 -16.244 2.317 1.00 1.00 O ATOM 995 CB ALA A 786 0.862 -15.449 4.394 1.00 1.00 C ATOM 0 H ALA A 786 -0.948 -13.772 4.772 1.00 1.00 H new ATOM 0 HA ALA A 786 0.254 -15.051 2.429 1.00 1.00 H new ATOM 0 HB1 ALA A 786 1.402 -16.345 4.088 1.00 1.00 H new ATOM 0 HB2 ALA A 786 1.550 -14.604 4.429 1.00 1.00 H new ATOM 0 HB3 ALA A 786 0.430 -15.605 5.382 1.00 1.00 H new TER 1001 ALA A 786