USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 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 -130:sc= 0.964 USER MOD Set 1.2: A 781 THR OG1 : rot 139:sc= 1.1 USER MOD Set 2.1: A 759 HIS : no HD1:sc= -1.52 K(o=-1.9,f=-5.3!) USER MOD Set 2.2: A 769 HIS : no HE2:sc= -0.37 K(o=-1.9,f=-3) USER MOD Set 3.1: A 737 MET CE :methyl -160:sc= -0.0847 (180deg=-0.543) USER MOD Set 3.2: A 765 HIS : no HD1:sc= -0.122 X(o=-0.21,f=-0.28) USER MOD Single : A 728 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.19) USER MOD Single : A 732 MET CE :methyl -165:sc= -0.211 (180deg=-0.759) USER MOD Single : A 739 SER OG : rot -8:sc= -0.533 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl 154:sc= -0.919 (180deg=-2.47!) USER MOD Single : A 743 GLN : amide:sc= -0.0621 X(o=-0.062,f=0) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0418 USER MOD Single : A 751 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 HIS : no HD1:sc= -0.471 X(o=-0.47,f=0.018) USER MOD Single : A 760 GLN : amide:sc= 0.00907 K(o=0.0091,f=-2.2!) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 776 LYS NZ :NH3+ 171:sc=-0.00101 (180deg=-0.117) USER MOD Single : A 783 SER OG : rot 75:sc= 0.0608 USER MOD Single : A 784 LYS NZ :NH3+ -114:sc= 0.00929 (180deg=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 725 -2.792 5.680 -13.039 1.00 1.00 N ATOM 2 CA GLY A 725 -2.347 5.953 -11.674 1.00 1.00 C ATOM 3 C GLY A 725 -0.878 6.302 -11.706 1.00 1.00 C ATOM 4 O GLY A 725 -0.473 7.191 -12.455 1.00 1.00 O ATOM 0 HA2 GLY A 725 -2.922 6.774 -11.246 1.00 1.00 H new ATOM 0 HA3 GLY A 725 -2.515 5.082 -11.040 1.00 1.00 H new ATOM 8 N VAL A 726 -0.072 5.602 -10.914 1.00 1.00 N ATOM 9 CA VAL A 726 1.378 5.701 -10.924 1.00 1.00 C ATOM 10 C VAL A 726 1.867 4.258 -10.832 1.00 1.00 C ATOM 11 O VAL A 726 1.541 3.555 -9.868 1.00 1.00 O ATOM 12 CB VAL A 726 1.861 6.621 -9.799 1.00 1.00 C ATOM 13 CG1 VAL A 726 3.370 6.519 -9.555 1.00 1.00 C ATOM 14 CG2 VAL A 726 1.497 8.093 -10.017 1.00 1.00 C ATOM 0 H VAL A 726 -0.422 4.932 -10.229 1.00 1.00 H new ATOM 0 HA VAL A 726 1.784 6.164 -11.823 1.00 1.00 H new ATOM 0 HB VAL A 726 1.330 6.260 -8.918 1.00 1.00 H new ATOM 0 HG11 VAL A 726 3.654 7.193 -8.747 1.00 1.00 H new ATOM 0 HG12 VAL A 726 3.626 5.496 -9.281 1.00 1.00 H new ATOM 0 HG13 VAL A 726 3.905 6.796 -10.464 1.00 1.00 H new ATOM 0 HG21 VAL A 726 1.870 8.687 -9.183 1.00 1.00 H new ATOM 0 HG22 VAL A 726 1.948 8.446 -10.944 1.00 1.00 H new ATOM 0 HG23 VAL A 726 0.414 8.194 -10.079 1.00 1.00 H new ATOM 24 N ASP A 727 2.558 3.769 -11.861 1.00 1.00 N ATOM 25 CA ASP A 727 2.986 2.372 -11.918 1.00 1.00 C ATOM 26 C ASP A 727 4.138 2.073 -10.959 1.00 1.00 C ATOM 27 O ASP A 727 4.317 0.918 -10.586 1.00 1.00 O ATOM 28 CB ASP A 727 3.361 1.974 -13.346 1.00 1.00 C ATOM 29 CG ASP A 727 3.505 0.458 -13.459 1.00 1.00 C ATOM 30 OD1 ASP A 727 2.502 -0.263 -13.236 1.00 1.00 O ATOM 31 OD2 ASP A 727 4.601 -0.022 -13.823 1.00 1.00 O ATOM 0 H ASP A 727 2.835 4.324 -12.671 1.00 1.00 H new ATOM 0 HA ASP A 727 2.136 1.771 -11.596 1.00 1.00 H new ATOM 0 HB2 ASP A 727 2.597 2.325 -14.040 1.00 1.00 H new ATOM 0 HB3 ASP A 727 4.296 2.456 -13.630 1.00 1.00 H new ATOM 36 N HIS A 728 4.852 3.103 -10.486 1.00 1.00 N ATOM 37 CA HIS A 728 5.912 2.970 -9.488 1.00 1.00 C ATOM 38 C HIS A 728 5.388 2.213 -8.263 1.00 1.00 C ATOM 39 O HIS A 728 5.992 1.235 -7.817 1.00 1.00 O ATOM 40 CB HIS A 728 6.441 4.352 -9.071 1.00 1.00 C ATOM 41 CG HIS A 728 6.854 5.301 -10.169 1.00 1.00 C ATOM 42 ND1 HIS A 728 6.677 6.668 -10.147 1.00 1.00 N ATOM 43 CD2 HIS A 728 7.491 4.984 -11.336 1.00 1.00 C ATOM 44 CE1 HIS A 728 7.179 7.162 -11.288 1.00 1.00 C ATOM 45 NE2 HIS A 728 7.675 6.173 -12.056 1.00 1.00 N ATOM 0 H HIS A 728 4.704 4.064 -10.793 1.00 1.00 H new ATOM 0 HA HIS A 728 6.734 2.406 -9.929 1.00 1.00 H new ATOM 0 HB2 HIS A 728 5.670 4.842 -8.476 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.300 4.200 -8.417 1.00 1.00 H new ATOM 0 HD2 HIS A 728 7.797 3.996 -11.647 1.00 1.00 H new ATOM 0 HE1 HIS A 728 7.185 8.209 -11.554 1.00 1.00 H new ATOM 0 HE2 HIS A 728 8.100 6.270 -12.978 1.00 1.00 H new ATOM 53 N PHE A 729 4.218 2.624 -7.750 1.00 1.00 N ATOM 54 CA PHE A 729 3.586 1.932 -6.639 1.00 1.00 C ATOM 55 C PHE A 729 3.290 0.502 -7.012 1.00 1.00 C ATOM 56 O PHE A 729 3.613 -0.373 -6.219 1.00 1.00 O ATOM 57 CB PHE A 729 2.297 2.611 -6.164 1.00 1.00 C ATOM 58 CG PHE A 729 2.527 4.018 -5.678 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.256 4.240 -4.497 1.00 1.00 C ATOM 60 CD2 PHE A 729 2.082 5.102 -6.449 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.594 5.549 -4.129 1.00 1.00 C ATOM 62 CE2 PHE A 729 2.409 6.414 -6.076 1.00 1.00 C ATOM 63 CZ PHE A 729 3.180 6.635 -4.924 1.00 1.00 C ATOM 0 H PHE A 729 3.699 3.432 -8.093 1.00 1.00 H new ATOM 0 HA PHE A 729 4.296 1.967 -5.812 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.577 2.627 -6.982 1.00 1.00 H new ATOM 0 HB3 PHE A 729 1.855 2.021 -5.361 1.00 1.00 H new ATOM 0 HD1 PHE A 729 3.554 3.407 -3.877 1.00 1.00 H new ATOM 0 HD2 PHE A 729 1.486 4.926 -7.332 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.173 5.725 -3.234 1.00 1.00 H new ATOM 0 HE2 PHE A 729 2.070 7.249 -6.671 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.457 7.641 -4.646 1.00 1.00 H new ATOM 73 N ARG A 730 2.696 0.249 -8.184 1.00 1.00 N ATOM 74 CA ARG A 730 2.387 -1.115 -8.579 1.00 1.00 C ATOM 75 C ARG A 730 3.645 -1.959 -8.510 1.00 1.00 C ATOM 76 O ARG A 730 3.598 -2.983 -7.845 1.00 1.00 O ATOM 77 CB ARG A 730 1.702 -1.197 -9.951 1.00 1.00 C ATOM 78 CG ARG A 730 1.288 -2.652 -10.209 1.00 1.00 C ATOM 79 CD ARG A 730 0.594 -2.861 -11.551 1.00 1.00 C ATOM 80 NE ARG A 730 0.235 -4.278 -11.682 1.00 1.00 N ATOM 81 CZ ARG A 730 0.334 -5.070 -12.748 1.00 1.00 C ATOM 82 NH1 ARG A 730 0.636 -4.578 -13.944 1.00 1.00 N ATOM 83 NH2 ARG A 730 0.124 -6.373 -12.605 1.00 1.00 N ATOM 0 H ARG A 730 2.426 0.963 -8.860 1.00 1.00 H new ATOM 0 HA ARG A 730 1.658 -1.517 -7.875 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.828 -0.546 -9.977 1.00 1.00 H new ATOM 0 HB3 ARG A 730 2.379 -0.853 -10.733 1.00 1.00 H new ATOM 0 HG2 ARG A 730 2.173 -3.286 -10.165 1.00 1.00 H new ATOM 0 HG3 ARG A 730 0.622 -2.978 -9.410 1.00 1.00 H new ATOM 0 HD2 ARG A 730 -0.298 -2.238 -11.616 1.00 1.00 H new ATOM 0 HD3 ARG A 730 1.252 -2.561 -12.367 1.00 1.00 H new ATOM 0 HE ARG A 730 -0.142 -4.716 -10.842 1.00 1.00 H new ATOM 0 HH11 ARG A 730 0.797 -3.577 -14.058 1.00 1.00 H new ATOM 0 HH12 ARG A 730 0.707 -5.201 -14.749 1.00 1.00 H new ATOM 0 HH21 ARG A 730 -0.109 -6.754 -11.688 1.00 1.00 H new ATOM 0 HH22 ARG A 730 0.196 -6.993 -13.412 1.00 1.00 H new ATOM 97 N ALA A 731 4.753 -1.540 -9.115 1.00 1.00 N ATOM 98 CA ALA A 731 5.977 -2.321 -9.064 1.00 1.00 C ATOM 99 C ALA A 731 6.433 -2.570 -7.624 1.00 1.00 C ATOM 100 O ALA A 731 6.844 -3.693 -7.322 1.00 1.00 O ATOM 101 CB ALA A 731 7.056 -1.641 -9.907 1.00 1.00 C ATOM 0 H ALA A 731 4.825 -0.670 -9.642 1.00 1.00 H new ATOM 0 HA ALA A 731 5.783 -3.306 -9.489 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.973 -2.229 -9.867 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.717 -1.567 -10.940 1.00 1.00 H new ATOM 0 HB3 ALA A 731 7.248 -0.642 -9.515 1.00 1.00 H new ATOM 107 N MET A 732 6.322 -1.589 -6.721 1.00 1.00 N ATOM 108 CA MET A 732 6.646 -1.817 -5.316 1.00 1.00 C ATOM 109 C MET A 732 5.727 -2.879 -4.705 1.00 1.00 C ATOM 110 O MET A 732 6.201 -3.818 -4.064 1.00 1.00 O ATOM 111 CB MET A 732 6.572 -0.507 -4.531 1.00 1.00 C ATOM 112 CG MET A 732 7.731 0.425 -4.898 1.00 1.00 C ATOM 113 SD MET A 732 7.917 1.894 -3.857 1.00 1.00 S ATOM 114 CE MET A 732 6.553 2.901 -4.467 1.00 1.00 C ATOM 0 H MET A 732 6.014 -0.641 -6.938 1.00 1.00 H new ATOM 0 HA MET A 732 7.668 -2.192 -5.257 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.624 -0.010 -4.736 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.597 -0.719 -3.462 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.659 -0.146 -4.858 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.600 0.748 -5.931 1.00 1.00 H new ATOM 0 HE1 MET A 732 6.681 3.930 -4.130 1.00 1.00 H new ATOM 0 HE2 MET A 732 6.541 2.875 -5.557 1.00 1.00 H new ATOM 0 HE3 MET A 732 5.611 2.508 -4.084 1.00 1.00 H new ATOM 124 N ILE A 733 4.412 -2.759 -4.906 1.00 1.00 N ATOM 125 CA ILE A 733 3.455 -3.738 -4.396 1.00 1.00 C ATOM 126 C ILE A 733 3.691 -5.116 -5.026 1.00 1.00 C ATOM 127 O ILE A 733 3.524 -6.123 -4.346 1.00 1.00 O ATOM 128 CB ILE A 733 1.973 -3.277 -4.508 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.767 -1.808 -4.074 1.00 1.00 C ATOM 130 CG2 ILE A 733 1.102 -4.183 -3.629 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.446 -1.373 -3.436 1.00 1.00 C ATOM 0 H ILE A 733 3.987 -1.988 -5.421 1.00 1.00 H new ATOM 0 HA ILE A 733 3.640 -3.825 -3.325 1.00 1.00 H new ATOM 0 HB ILE A 733 1.688 -3.349 -5.558 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.562 -1.564 -3.369 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.921 -1.186 -4.956 1.00 1.00 H new ATOM 0 HG21 ILE A 733 0.061 -3.868 -3.701 1.00 1.00 H new ATOM 0 HG22 ILE A 733 1.193 -5.215 -3.968 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.432 -4.111 -2.593 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.489 -0.310 -3.199 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.372 -1.557 -4.132 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.279 -1.942 -2.521 1.00 1.00 H new ATOM 143 N VAL A 734 4.100 -5.193 -6.288 1.00 1.00 N ATOM 144 CA VAL A 734 4.389 -6.449 -6.967 1.00 1.00 C ATOM 145 C VAL A 734 5.603 -7.113 -6.318 1.00 1.00 C ATOM 146 O VAL A 734 5.561 -8.319 -6.067 1.00 1.00 O ATOM 147 CB VAL A 734 4.506 -6.196 -8.482 1.00 1.00 C ATOM 148 CG1 VAL A 734 5.065 -7.392 -9.265 1.00 1.00 C ATOM 149 CG2 VAL A 734 3.099 -5.882 -9.019 1.00 1.00 C ATOM 0 H VAL A 734 4.242 -4.372 -6.876 1.00 1.00 H new ATOM 0 HA VAL A 734 3.576 -7.166 -6.855 1.00 1.00 H new ATOM 0 HB VAL A 734 5.205 -5.371 -8.621 1.00 1.00 H new ATOM 0 HG11 VAL A 734 5.119 -7.140 -10.324 1.00 1.00 H new ATOM 0 HG12 VAL A 734 6.063 -7.633 -8.898 1.00 1.00 H new ATOM 0 HG13 VAL A 734 4.411 -8.253 -9.129 1.00 1.00 H new ATOM 0 HG21 VAL A 734 3.152 -5.698 -10.092 1.00 1.00 H new ATOM 0 HG22 VAL A 734 2.439 -6.728 -8.828 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.708 -4.997 -8.518 1.00 1.00 H new ATOM 159 N GLU A 735 6.648 -6.349 -5.977 1.00 1.00 N ATOM 160 CA GLU A 735 7.782 -6.905 -5.253 1.00 1.00 C ATOM 161 C GLU A 735 7.282 -7.454 -3.920 1.00 1.00 C ATOM 162 O GLU A 735 7.583 -8.596 -3.580 1.00 1.00 O ATOM 163 CB GLU A 735 8.893 -5.858 -5.060 1.00 1.00 C ATOM 164 CG GLU A 735 9.993 -6.381 -4.121 1.00 1.00 C ATOM 165 CD GLU A 735 11.163 -5.412 -3.983 1.00 1.00 C ATOM 166 OE1 GLU A 735 11.866 -5.133 -4.991 1.00 1.00 O ATOM 167 OE2 GLU A 735 11.388 -4.910 -2.856 1.00 1.00 O ATOM 0 H GLU A 735 6.726 -5.355 -6.191 1.00 1.00 H new ATOM 0 HA GLU A 735 8.226 -7.715 -5.832 1.00 1.00 H new ATOM 0 HB2 GLU A 735 9.327 -5.603 -6.026 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.466 -4.942 -4.650 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.565 -6.569 -3.136 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.361 -7.336 -4.496 1.00 1.00 H new ATOM 174 N PHE A 736 6.508 -6.659 -3.184 1.00 1.00 N ATOM 175 CA PHE A 736 5.962 -7.007 -1.881 1.00 1.00 C ATOM 176 C PHE A 736 5.060 -8.248 -1.941 1.00 1.00 C ATOM 177 O PHE A 736 5.091 -9.065 -1.022 1.00 1.00 O ATOM 178 CB PHE A 736 5.231 -5.766 -1.366 1.00 1.00 C ATOM 179 CG PHE A 736 4.436 -5.924 -0.089 1.00 1.00 C ATOM 180 CD1 PHE A 736 5.029 -6.460 1.068 1.00 1.00 C ATOM 181 CD2 PHE A 736 3.089 -5.512 -0.062 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.260 -6.627 2.233 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.329 -5.659 1.106 1.00 1.00 C ATOM 184 CZ PHE A 736 2.909 -6.241 2.242 1.00 1.00 C ATOM 0 H PHE A 736 6.237 -5.725 -3.491 1.00 1.00 H new ATOM 0 HA PHE A 736 6.758 -7.286 -1.191 1.00 1.00 H new ATOM 0 HB2 PHE A 736 5.967 -4.977 -1.212 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.554 -5.422 -2.148 1.00 1.00 H new ATOM 0 HD1 PHE A 736 6.071 -6.742 1.062 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.640 -5.081 -0.945 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.707 -7.051 3.120 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.302 -5.326 1.131 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.313 -6.394 3.130 1.00 1.00 H new ATOM 194 N MET A 737 4.288 -8.421 -3.014 1.00 1.00 N ATOM 195 CA MET A 737 3.450 -9.585 -3.283 1.00 1.00 C ATOM 196 C MET A 737 4.319 -10.808 -3.509 1.00 1.00 C ATOM 197 O MET A 737 4.141 -11.809 -2.814 1.00 1.00 O ATOM 198 CB MET A 737 2.553 -9.316 -4.502 1.00 1.00 C ATOM 199 CG MET A 737 1.338 -8.450 -4.151 1.00 1.00 C ATOM 200 SD MET A 737 -0.027 -9.315 -3.325 1.00 1.00 S ATOM 201 CE MET A 737 -0.536 -10.442 -4.651 1.00 1.00 C ATOM 0 H MET A 737 4.229 -7.720 -3.752 1.00 1.00 H new ATOM 0 HA MET A 737 2.809 -9.774 -2.422 1.00 1.00 H new ATOM 0 HB2 MET A 737 3.137 -8.821 -5.278 1.00 1.00 H new ATOM 0 HB3 MET A 737 2.212 -10.265 -4.916 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.669 -7.634 -3.509 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.958 -8.000 -5.068 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.553 -10.787 -4.465 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.499 -9.919 -5.607 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.138 -11.298 -4.680 1.00 1.00 H new ATOM 211 N ALA A 738 5.257 -10.743 -4.454 1.00 1.00 N ATOM 212 CA ALA A 738 6.131 -11.859 -4.773 1.00 1.00 C ATOM 213 C ALA A 738 6.953 -12.267 -3.539 1.00 1.00 C ATOM 214 O ALA A 738 7.079 -13.452 -3.229 1.00 1.00 O ATOM 215 CB ALA A 738 6.989 -11.455 -5.974 1.00 1.00 C ATOM 0 H ALA A 738 5.428 -9.911 -5.018 1.00 1.00 H new ATOM 0 HA ALA A 738 5.560 -12.746 -5.047 1.00 1.00 H new ATOM 0 HB1 ALA A 738 7.657 -12.276 -6.237 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.343 -11.227 -6.822 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.579 -10.574 -5.720 1.00 1.00 H new ATOM 221 N SER A 739 7.453 -11.284 -2.794 1.00 1.00 N ATOM 222 CA SER A 739 8.242 -11.444 -1.581 1.00 1.00 C ATOM 223 C SER A 739 7.385 -11.955 -0.408 1.00 1.00 C ATOM 224 O SER A 739 7.889 -12.699 0.432 1.00 1.00 O ATOM 225 CB SER A 739 8.864 -10.070 -1.291 1.00 1.00 C ATOM 226 OG SER A 739 9.974 -10.090 -0.431 1.00 1.00 O ATOM 0 H SER A 739 7.309 -10.303 -3.035 1.00 1.00 H new ATOM 0 HA SER A 739 9.019 -12.197 -1.712 1.00 1.00 H new ATOM 0 HB2 SER A 739 9.164 -9.617 -2.236 1.00 1.00 H new ATOM 0 HB3 SER A 739 8.099 -9.426 -0.857 1.00 1.00 H new ATOM 0 HG SER A 739 10.082 -10.989 -0.057 1.00 1.00 H new ATOM 232 N LYS A 740 6.102 -11.565 -0.340 1.00 1.00 N ATOM 233 CA LYS A 740 5.119 -11.843 0.718 1.00 1.00 C ATOM 234 C LYS A 740 5.700 -11.678 2.123 1.00 1.00 C ATOM 235 O LYS A 740 5.551 -12.560 2.961 1.00 1.00 O ATOM 236 CB LYS A 740 4.328 -13.148 0.478 1.00 1.00 C ATOM 237 CG LYS A 740 5.216 -14.409 0.458 1.00 1.00 C ATOM 238 CD LYS A 740 4.455 -15.691 0.811 1.00 1.00 C ATOM 239 CE LYS A 740 5.428 -16.857 1.041 1.00 1.00 C ATOM 240 NZ LYS A 740 5.971 -17.409 -0.216 1.00 1.00 N ATOM 0 H LYS A 740 5.693 -11.001 -1.085 1.00 1.00 H new ATOM 0 HA LYS A 740 4.358 -11.065 0.656 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.575 -13.256 1.258 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.796 -13.072 -0.470 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.658 -14.518 -0.532 1.00 1.00 H new ATOM 0 HG3 LYS A 740 6.038 -14.277 1.161 1.00 1.00 H new ATOM 0 HD2 LYS A 740 3.856 -15.529 1.707 1.00 1.00 H new ATOM 0 HD3 LYS A 740 3.763 -15.942 0.007 1.00 1.00 H new ATOM 0 HE2 LYS A 740 6.252 -16.517 1.669 1.00 1.00 H new ATOM 0 HE3 LYS A 740 4.916 -17.648 1.588 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 6.621 -18.192 0.001 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 5.190 -17.760 -0.807 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 6.485 -16.664 -0.729 1.00 1.00 H new ATOM 253 N LYS A 741 6.328 -10.525 2.383 1.00 1.00 N ATOM 254 CA LYS A 741 7.031 -10.241 3.626 1.00 1.00 C ATOM 255 C LYS A 741 6.109 -10.311 4.843 1.00 1.00 C ATOM 256 O LYS A 741 6.059 -11.340 5.501 1.00 1.00 O ATOM 257 CB LYS A 741 7.711 -8.881 3.487 1.00 1.00 C ATOM 258 CG LYS A 741 8.930 -8.982 2.568 1.00 1.00 C ATOM 259 CD LYS A 741 10.202 -9.404 3.308 1.00 1.00 C ATOM 260 CE LYS A 741 11.374 -9.400 2.329 1.00 1.00 C ATOM 261 NZ LYS A 741 12.644 -9.701 3.008 1.00 1.00 N ATOM 0 H LYS A 741 6.358 -9.752 1.718 1.00 1.00 H new ATOM 0 HA LYS A 741 7.786 -11.007 3.801 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.005 -8.154 3.085 1.00 1.00 H new ATOM 0 HB3 LYS A 741 8.017 -8.519 4.468 1.00 1.00 H new ATOM 0 HG2 LYS A 741 8.722 -9.700 1.775 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.098 -8.018 2.089 1.00 1.00 H new ATOM 0 HD2 LYS A 741 10.400 -8.722 4.135 1.00 1.00 H new ATOM 0 HD3 LYS A 741 10.075 -10.397 3.738 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.197 -10.135 1.544 1.00 1.00 H new ATOM 0 HE3 LYS A 741 11.441 -8.426 1.844 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 13.419 -9.690 2.315 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 12.824 -8.985 3.740 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 12.587 -10.641 3.450 1.00 1.00 H new ATOM 274 N MET A 742 5.355 -9.247 5.121 1.00 1.00 N ATOM 275 CA MET A 742 4.358 -9.153 6.186 1.00 1.00 C ATOM 276 C MET A 742 3.450 -7.965 5.881 1.00 1.00 C ATOM 277 O MET A 742 2.286 -8.144 5.534 1.00 1.00 O ATOM 278 CB MET A 742 5.005 -8.949 7.578 1.00 1.00 C ATOM 279 CG MET A 742 5.555 -10.167 8.337 1.00 1.00 C ATOM 280 SD MET A 742 4.358 -11.318 9.093 1.00 1.00 S ATOM 281 CE MET A 742 3.604 -12.218 7.705 1.00 1.00 C ATOM 0 H MET A 742 5.427 -8.384 4.582 1.00 1.00 H new ATOM 0 HA MET A 742 3.800 -10.089 6.219 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.824 -8.240 7.458 1.00 1.00 H new ATOM 0 HB3 MET A 742 4.262 -8.472 8.218 1.00 1.00 H new ATOM 0 HG2 MET A 742 6.177 -10.738 7.647 1.00 1.00 H new ATOM 0 HG3 MET A 742 6.210 -9.800 9.127 1.00 1.00 H new ATOM 0 HE1 MET A 742 3.252 -13.190 8.050 1.00 1.00 H new ATOM 0 HE2 MET A 742 2.763 -11.645 7.314 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.344 -12.359 6.918 1.00 1.00 H new ATOM 291 N GLN A 743 3.999 -6.753 5.926 1.00 1.00 N ATOM 292 CA GLN A 743 3.321 -5.501 5.629 1.00 1.00 C ATOM 293 C GLN A 743 4.315 -4.562 4.945 1.00 1.00 C ATOM 294 O GLN A 743 5.517 -4.846 4.917 1.00 1.00 O ATOM 295 CB GLN A 743 2.691 -4.877 6.885 1.00 1.00 C ATOM 296 CG GLN A 743 3.649 -4.800 8.075 1.00 1.00 C ATOM 297 CD GLN A 743 3.257 -3.691 9.039 1.00 1.00 C ATOM 298 OE1 GLN A 743 2.632 -3.932 10.071 1.00 1.00 O ATOM 299 NE2 GLN A 743 3.630 -2.464 8.727 1.00 1.00 N ATOM 0 H GLN A 743 4.976 -6.615 6.183 1.00 1.00 H new ATOM 0 HA GLN A 743 2.488 -5.689 4.952 1.00 1.00 H new ATOM 0 HB2 GLN A 743 2.341 -3.873 6.645 1.00 1.00 H new ATOM 0 HB3 GLN A 743 1.816 -5.460 7.171 1.00 1.00 H new ATOM 0 HG2 GLN A 743 3.654 -5.755 8.601 1.00 1.00 H new ATOM 0 HG3 GLN A 743 4.664 -4.628 7.715 1.00 1.00 H new ATOM 0 HE21 GLN A 743 4.147 -2.292 7.865 1.00 1.00 H new ATOM 0 HE22 GLN A 743 3.401 -1.688 9.348 1.00 1.00 H new ATOM 308 N LEU A 744 3.816 -3.482 4.350 1.00 1.00 N ATOM 309 CA LEU A 744 4.610 -2.427 3.746 1.00 1.00 C ATOM 310 C LEU A 744 3.905 -1.126 4.095 1.00 1.00 C ATOM 311 O LEU A 744 2.689 -1.009 3.914 1.00 1.00 O ATOM 312 CB LEU A 744 4.718 -2.668 2.225 1.00 1.00 C ATOM 313 CG LEU A 744 5.790 -1.838 1.488 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.918 -2.312 0.039 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.513 -0.336 1.478 1.00 1.00 C ATOM 0 H LEU A 744 2.812 -3.316 4.275 1.00 1.00 H new ATOM 0 HA LEU A 744 5.635 -2.398 4.116 1.00 1.00 H new ATOM 0 HB2 LEU A 744 4.925 -3.725 2.058 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.749 -2.458 1.773 1.00 1.00 H new ATOM 0 HG LEU A 744 6.714 -1.996 2.043 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.677 -1.720 -0.472 1.00 1.00 H new ATOM 0 HD12 LEU A 744 6.207 -3.363 0.024 1.00 1.00 H new ATOM 0 HD13 LEU A 744 4.961 -2.192 -0.469 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.311 0.178 0.942 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.561 -0.145 0.982 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.469 0.033 2.503 1.00 1.00 H new ATOM 327 N GLU A 745 4.657 -0.187 4.663 1.00 1.00 N ATOM 328 CA GLU A 745 4.217 1.140 5.000 1.00 1.00 C ATOM 329 C GLU A 745 4.613 2.075 3.855 1.00 1.00 C ATOM 330 O GLU A 745 5.803 2.301 3.613 1.00 1.00 O ATOM 331 CB GLU A 745 4.968 1.539 6.271 1.00 1.00 C ATOM 332 CG GLU A 745 4.596 0.708 7.499 1.00 1.00 C ATOM 333 CD GLU A 745 5.633 0.881 8.608 1.00 1.00 C ATOM 334 OE1 GLU A 745 5.791 1.994 9.160 1.00 1.00 O ATOM 335 OE2 GLU A 745 6.342 -0.106 8.914 1.00 1.00 O ATOM 0 H GLU A 745 5.634 -0.351 4.907 1.00 1.00 H new ATOM 0 HA GLU A 745 3.139 1.192 5.155 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.039 1.445 6.092 1.00 1.00 H new ATOM 0 HB3 GLU A 745 4.771 2.590 6.483 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.614 1.010 7.863 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.524 -0.344 7.223 1.00 1.00 H new ATOM 342 N PHE A 746 3.630 2.616 3.149 1.00 1.00 N ATOM 343 CA PHE A 746 3.808 3.609 2.103 1.00 1.00 C ATOM 344 C PHE A 746 3.636 4.986 2.791 1.00 1.00 C ATOM 345 O PHE A 746 2.882 5.110 3.768 1.00 1.00 O ATOM 346 CB PHE A 746 2.827 3.331 0.946 1.00 1.00 C ATOM 347 CG PHE A 746 3.216 2.200 0.005 1.00 1.00 C ATOM 348 CD1 PHE A 746 4.369 2.314 -0.797 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.419 1.038 -0.099 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.724 1.286 -1.683 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.768 0.021 -1.003 1.00 1.00 C ATOM 352 CZ PHE A 746 3.916 0.148 -1.800 1.00 1.00 C ATOM 0 H PHE A 746 2.652 2.365 3.295 1.00 1.00 H new ATOM 0 HA PHE A 746 4.792 3.580 1.635 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.849 3.105 1.371 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.717 4.244 0.361 1.00 1.00 H new ATOM 0 HD1 PHE A 746 4.984 3.199 -0.729 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.539 0.931 0.518 1.00 1.00 H new ATOM 0 HE1 PHE A 746 5.622 1.372 -2.276 1.00 1.00 H new ATOM 0 HE2 PHE A 746 2.151 -0.861 -1.085 1.00 1.00 H new ATOM 0 HZ PHE A 746 4.176 -0.630 -2.502 1.00 1.00 H new ATOM 362 N PRO A 747 4.310 6.041 2.303 1.00 1.00 N ATOM 363 CA PRO A 747 4.308 7.345 2.958 1.00 1.00 C ATOM 364 C PRO A 747 2.961 8.090 2.921 1.00 1.00 C ATOM 365 O PRO A 747 2.158 7.887 2.010 1.00 1.00 O ATOM 366 CB PRO A 747 5.400 8.143 2.234 1.00 1.00 C ATOM 367 CG PRO A 747 5.418 7.539 0.832 1.00 1.00 C ATOM 368 CD PRO A 747 5.142 6.063 1.109 1.00 1.00 C ATOM 0 HA PRO A 747 4.491 7.220 4.025 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.168 9.208 2.209 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.366 8.039 2.728 1.00 1.00 H new ATOM 0 HG2 PRO A 747 4.657 7.981 0.189 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.378 7.687 0.338 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.633 5.594 0.267 1.00 1.00 H new ATOM 0 HD3 PRO A 747 6.070 5.513 1.267 1.00 1.00 H new ATOM 376 N PRO A 748 2.738 9.043 3.846 1.00 1.00 N ATOM 377 CA PRO A 748 1.559 9.905 3.867 1.00 1.00 C ATOM 378 C PRO A 748 1.465 10.773 2.611 1.00 1.00 C ATOM 379 O PRO A 748 0.381 11.253 2.289 1.00 1.00 O ATOM 380 CB PRO A 748 1.671 10.780 5.118 1.00 1.00 C ATOM 381 CG PRO A 748 3.163 10.763 5.439 1.00 1.00 C ATOM 382 CD PRO A 748 3.632 9.402 4.936 1.00 1.00 C ATOM 0 HA PRO A 748 0.654 9.298 3.887 1.00 1.00 H new ATOM 0 HB2 PRO A 748 1.313 11.793 4.932 1.00 1.00 H new ATOM 0 HB3 PRO A 748 1.080 10.379 5.941 1.00 1.00 H new ATOM 0 HG2 PRO A 748 3.688 11.576 4.939 1.00 1.00 H new ATOM 0 HG3 PRO A 748 3.343 10.877 6.508 1.00 1.00 H new ATOM 0 HD2 PRO A 748 4.665 9.449 4.593 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.594 8.658 5.732 1.00 1.00 H new ATOM 390 N SER A 749 2.591 11.017 1.939 1.00 1.00 N ATOM 391 CA SER A 749 2.756 11.881 0.781 1.00 1.00 C ATOM 392 C SER A 749 1.849 11.530 -0.407 1.00 1.00 C ATOM 393 O SER A 749 1.840 12.260 -1.396 1.00 1.00 O ATOM 394 CB SER A 749 4.235 11.835 0.374 1.00 1.00 C ATOM 395 OG SER A 749 5.072 11.902 1.522 1.00 1.00 O ATOM 0 H SER A 749 3.472 10.582 2.214 1.00 1.00 H new ATOM 0 HA SER A 749 2.450 12.887 1.067 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.438 10.917 -0.178 1.00 1.00 H new ATOM 0 HB3 SER A 749 4.460 12.665 -0.296 1.00 1.00 H new ATOM 0 HG SER A 749 6.011 11.870 1.244 1.00 1.00 H new ATOM 401 N LEU A 750 1.132 10.403 -0.376 1.00 1.00 N ATOM 402 CA LEU A 750 0.163 10.046 -1.395 1.00 1.00 C ATOM 403 C LEU A 750 -0.974 11.049 -1.274 1.00 1.00 C ATOM 404 O LEU A 750 -1.735 11.008 -0.305 1.00 1.00 O ATOM 405 CB LEU A 750 -0.267 8.589 -1.173 1.00 1.00 C ATOM 406 CG LEU A 750 0.687 7.510 -1.731 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.040 8.035 -2.199 1.00 1.00 C ATOM 408 CD2 LEU A 750 0.852 6.299 -0.825 1.00 1.00 C ATOM 0 H LEU A 750 1.215 9.711 0.369 1.00 1.00 H new ATOM 0 HA LEU A 750 0.557 10.094 -2.410 1.00 1.00 H new ATOM 0 HB2 LEU A 750 -0.383 8.424 -0.102 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -1.248 8.447 -1.626 1.00 1.00 H new ATOM 0 HG LEU A 750 0.166 7.170 -2.626 1.00 1.00 H new ATOM 0 HD11 LEU A 750 2.642 7.207 -2.574 1.00 1.00 H new ATOM 0 HD12 LEU A 750 1.892 8.765 -2.995 1.00 1.00 H new ATOM 0 HD13 LEU A 750 2.555 8.509 -1.363 1.00 1.00 H new ATOM 0 HD21 LEU A 750 1.537 5.589 -1.288 1.00 1.00 H new ATOM 0 HD22 LEU A 750 1.254 6.616 0.137 1.00 1.00 H new ATOM 0 HD23 LEU A 750 -0.117 5.823 -0.674 1.00 1.00 H new ATOM 420 N ASN A 751 -1.116 11.878 -2.311 1.00 1.00 N ATOM 421 CA ASN A 751 -2.051 12.993 -2.358 1.00 1.00 C ATOM 422 C ASN A 751 -3.485 12.526 -2.177 1.00 1.00 C ATOM 423 O ASN A 751 -4.074 12.749 -1.117 1.00 1.00 O ATOM 424 CB ASN A 751 -1.835 13.773 -3.658 1.00 1.00 C ATOM 425 CG ASN A 751 -0.420 14.323 -3.762 1.00 1.00 C ATOM 426 OD1 ASN A 751 0.378 13.904 -4.600 1.00 1.00 O ATOM 427 ND2 ASN A 751 -0.067 15.246 -2.887 1.00 1.00 N ATOM 0 H ASN A 751 -0.565 11.785 -3.164 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.859 13.668 -1.524 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -2.035 13.122 -4.509 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.549 14.595 -3.711 1.00 1.00 H new ATOM 0 HD21 ASN A 751 0.880 15.624 -2.898 1.00 1.00 H new ATOM 0 HD22 ASN A 751 -0.742 15.582 -2.200 1.00 1.00 H new ATOM 434 N SER A 752 -4.031 11.861 -3.189 1.00 1.00 N ATOM 435 CA SER A 752 -5.343 11.232 -3.163 1.00 1.00 C ATOM 436 C SER A 752 -5.238 9.994 -4.041 1.00 1.00 C ATOM 437 O SER A 752 -5.246 8.866 -3.554 1.00 1.00 O ATOM 438 CB SER A 752 -6.475 12.169 -3.620 1.00 1.00 C ATOM 439 OG SER A 752 -6.452 13.415 -2.946 1.00 1.00 O ATOM 0 H SER A 752 -3.553 11.742 -4.082 1.00 1.00 H new ATOM 0 HA SER A 752 -5.613 10.971 -2.140 1.00 1.00 H new ATOM 0 HB2 SER A 752 -6.391 12.338 -4.693 1.00 1.00 H new ATOM 0 HB3 SER A 752 -7.436 11.684 -3.448 1.00 1.00 H new ATOM 0 HG SER A 752 -7.187 13.976 -3.270 1.00 1.00 H new ATOM 445 N HIS A 753 -5.028 10.230 -5.340 1.00 1.00 N ATOM 446 CA HIS A 753 -4.994 9.218 -6.385 1.00 1.00 C ATOM 447 C HIS A 753 -3.966 8.129 -6.100 1.00 1.00 C ATOM 448 O HIS A 753 -4.213 6.978 -6.450 1.00 1.00 O ATOM 449 CB HIS A 753 -4.708 9.872 -7.745 1.00 1.00 C ATOM 450 CG HIS A 753 -5.737 10.888 -8.168 1.00 1.00 C ATOM 451 ND1 HIS A 753 -6.766 10.691 -9.064 1.00 1.00 N ATOM 452 CD2 HIS A 753 -5.790 12.188 -7.749 1.00 1.00 C ATOM 453 CE1 HIS A 753 -7.437 11.849 -9.174 1.00 1.00 C ATOM 454 NE2 HIS A 753 -6.895 12.784 -8.369 1.00 1.00 N ATOM 0 H HIS A 753 -4.871 11.171 -5.700 1.00 1.00 H new ATOM 0 HA HIS A 753 -5.974 8.742 -6.408 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.731 10.355 -7.706 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -4.648 9.093 -8.505 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -5.105 12.667 -7.065 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -8.290 12.008 -9.817 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -7.225 13.740 -8.237 1.00 1.00 H new ATOM 462 N ASP A 754 -2.831 8.455 -5.476 1.00 1.00 N ATOM 463 CA ASP A 754 -1.758 7.524 -5.201 1.00 1.00 C ATOM 464 C ASP A 754 -2.181 6.614 -4.048 1.00 1.00 C ATOM 465 O ASP A 754 -1.962 5.407 -4.085 1.00 1.00 O ATOM 466 CB ASP A 754 -0.515 8.337 -4.820 1.00 1.00 C ATOM 467 CG ASP A 754 -0.322 9.590 -5.655 1.00 1.00 C ATOM 468 OD1 ASP A 754 -0.899 10.615 -5.232 1.00 1.00 O ATOM 469 OD2 ASP A 754 0.294 9.506 -6.739 1.00 1.00 O ATOM 0 H ASP A 754 -2.638 9.400 -5.144 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.536 6.905 -6.070 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.585 8.619 -3.769 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.367 7.704 -4.922 1.00 1.00 H new ATOM 474 N ARG A 755 -2.833 7.179 -3.026 1.00 1.00 N ATOM 475 CA ARG A 755 -3.307 6.455 -1.848 1.00 1.00 C ATOM 476 C ARG A 755 -4.408 5.509 -2.297 1.00 1.00 C ATOM 477 O ARG A 755 -4.372 4.319 -1.993 1.00 1.00 O ATOM 478 CB ARG A 755 -3.799 7.452 -0.782 1.00 1.00 C ATOM 479 CG ARG A 755 -4.101 6.756 0.546 1.00 1.00 C ATOM 480 CD ARG A 755 -4.138 7.747 1.719 1.00 1.00 C ATOM 481 NE ARG A 755 -5.329 8.608 1.686 1.00 1.00 N ATOM 482 CZ ARG A 755 -5.439 9.867 1.235 1.00 1.00 C ATOM 483 NH1 ARG A 755 -4.404 10.533 0.725 1.00 1.00 N ATOM 484 NH2 ARG A 755 -6.618 10.469 1.303 1.00 1.00 N ATOM 0 H ARG A 755 -3.049 8.175 -2.997 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.505 5.875 -1.392 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -3.042 8.221 -0.626 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -4.696 7.956 -1.141 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -5.059 6.241 0.476 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -3.344 5.996 0.737 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -4.118 7.195 2.659 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -3.243 8.368 1.695 1.00 1.00 H new ATOM 0 HE ARG A 755 -6.185 8.194 2.055 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -3.489 10.087 0.667 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -4.527 11.489 0.392 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -7.421 9.975 1.693 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -6.722 11.426 0.965 1.00 1.00 H new ATOM 498 N LEU A 756 -5.364 6.048 -3.051 1.00 1.00 N ATOM 499 CA LEU A 756 -6.441 5.304 -3.677 1.00 1.00 C ATOM 500 C LEU A 756 -5.853 4.196 -4.549 1.00 1.00 C ATOM 501 O LEU A 756 -6.373 3.088 -4.527 1.00 1.00 O ATOM 502 CB LEU A 756 -7.378 6.285 -4.381 1.00 1.00 C ATOM 503 CG LEU A 756 -8.292 5.694 -5.474 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.625 6.448 -5.538 1.00 1.00 C ATOM 505 CD2 LEU A 756 -7.633 5.803 -6.854 1.00 1.00 C ATOM 0 H LEU A 756 -5.406 7.048 -3.246 1.00 1.00 H new ATOM 0 HA LEU A 756 -7.064 4.784 -2.950 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -8.008 6.757 -3.627 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.773 7.073 -4.830 1.00 1.00 H new ATOM 0 HG LEU A 756 -8.461 4.648 -5.216 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.252 6.013 -6.316 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -10.133 6.371 -4.577 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.439 7.497 -5.767 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -8.296 5.380 -7.608 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -7.443 6.851 -7.085 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -6.690 5.256 -6.851 1.00 1.00 H new ATOM 517 N ARG A 757 -4.745 4.430 -5.258 1.00 1.00 N ATOM 518 CA ARG A 757 -4.100 3.372 -6.023 1.00 1.00 C ATOM 519 C ARG A 757 -3.561 2.282 -5.107 1.00 1.00 C ATOM 520 O ARG A 757 -3.856 1.122 -5.367 1.00 1.00 O ATOM 521 CB ARG A 757 -3.016 3.927 -6.945 1.00 1.00 C ATOM 522 CG ARG A 757 -2.614 2.933 -8.035 1.00 1.00 C ATOM 523 CD ARG A 757 -3.687 2.784 -9.121 1.00 1.00 C ATOM 524 NE ARG A 757 -3.453 1.587 -9.938 1.00 1.00 N ATOM 525 CZ ARG A 757 -4.242 0.508 -10.030 1.00 1.00 C ATOM 526 NH1 ARG A 757 -5.397 0.424 -9.369 1.00 1.00 N ATOM 527 NH2 ARG A 757 -3.865 -0.510 -10.790 1.00 1.00 N ATOM 0 H ARG A 757 -4.283 5.337 -5.315 1.00 1.00 H new ATOM 0 HA ARG A 757 -4.857 2.916 -6.661 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -3.373 4.846 -7.409 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.138 4.188 -6.354 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -1.681 3.260 -8.494 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -2.423 1.960 -7.582 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -4.672 2.724 -8.657 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -3.688 3.668 -9.759 1.00 1.00 H new ATOM 0 HE ARG A 757 -2.599 1.575 -10.495 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -5.701 1.194 -8.773 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -5.977 -0.411 -9.459 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -2.982 -0.467 -11.298 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -4.458 -1.336 -10.867 1.00 1.00 H new ATOM 541 N VAL A 758 -2.797 2.611 -4.063 1.00 1.00 N ATOM 542 CA VAL A 758 -2.276 1.608 -3.132 1.00 1.00 C ATOM 543 C VAL A 758 -3.445 0.763 -2.598 1.00 1.00 C ATOM 544 O VAL A 758 -3.349 -0.466 -2.611 1.00 1.00 O ATOM 545 CB VAL A 758 -1.446 2.291 -2.016 1.00 1.00 C ATOM 546 CG1 VAL A 758 -1.036 1.331 -0.891 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.152 2.898 -2.588 1.00 1.00 C ATOM 0 H VAL A 758 -2.525 3.568 -3.841 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.592 0.929 -3.641 1.00 1.00 H new ATOM 0 HB VAL A 758 -2.100 3.060 -1.606 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.458 1.873 -0.143 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.929 0.913 -0.426 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.430 0.525 -1.304 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.413 3.372 -1.785 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.450 2.110 -3.040 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.402 3.642 -3.344 1.00 1.00 H new ATOM 557 N HIS A 759 -4.551 1.403 -2.191 1.00 1.00 N ATOM 558 CA HIS A 759 -5.768 0.724 -1.765 1.00 1.00 C ATOM 559 C HIS A 759 -6.252 -0.240 -2.852 1.00 1.00 C ATOM 560 O HIS A 759 -6.436 -1.420 -2.587 1.00 1.00 O ATOM 561 CB HIS A 759 -6.877 1.735 -1.422 1.00 1.00 C ATOM 562 CG HIS A 759 -6.629 2.600 -0.210 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.217 2.164 1.024 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.880 3.941 -0.102 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.229 3.211 1.863 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.626 4.320 1.221 1.00 1.00 N ATOM 0 H HIS A 759 -4.619 2.420 -2.151 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.536 0.155 -0.865 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -7.028 2.385 -2.284 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.807 1.187 -1.269 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -7.215 4.591 -0.897 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -5.957 3.167 2.907 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -6.723 5.254 1.618 1.00 1.00 H new ATOM 574 N GLN A 760 -6.447 0.246 -4.074 1.00 1.00 N ATOM 575 CA GLN A 760 -6.987 -0.508 -5.196 1.00 1.00 C ATOM 576 C GLN A 760 -6.153 -1.737 -5.547 1.00 1.00 C ATOM 577 O GLN A 760 -6.720 -2.810 -5.730 1.00 1.00 O ATOM 578 CB GLN A 760 -7.090 0.429 -6.396 1.00 1.00 C ATOM 579 CG GLN A 760 -8.313 1.330 -6.273 1.00 1.00 C ATOM 580 CD GLN A 760 -8.380 2.351 -7.396 1.00 1.00 C ATOM 581 OE1 GLN A 760 -7.403 2.654 -8.087 1.00 1.00 O ATOM 582 NE2 GLN A 760 -9.558 2.906 -7.584 1.00 1.00 N ATOM 0 H GLN A 760 -6.225 1.211 -4.317 1.00 1.00 H new ATOM 0 HA GLN A 760 -7.969 -0.886 -4.912 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.189 1.038 -6.466 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.153 -0.154 -7.315 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.216 0.720 -6.283 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.288 1.847 -5.314 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.348 2.636 -6.998 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -9.681 3.606 -8.316 1.00 1.00 H new ATOM 591 N ILE A 761 -4.835 -1.615 -5.709 1.00 1.00 N ATOM 592 CA ILE A 761 -3.937 -2.737 -5.938 1.00 1.00 C ATOM 593 C ILE A 761 -4.091 -3.741 -4.791 1.00 1.00 C ATOM 594 O ILE A 761 -4.243 -4.938 -5.031 1.00 1.00 O ATOM 595 CB ILE A 761 -2.505 -2.177 -6.067 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.439 -1.126 -7.196 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.512 -3.324 -6.330 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.085 -0.416 -7.299 1.00 1.00 C ATOM 0 H ILE A 761 -4.357 -0.714 -5.683 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.172 -3.272 -6.858 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.230 -1.689 -5.132 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.657 -1.613 -8.147 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.218 -0.381 -7.033 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.504 -2.919 -6.420 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.546 -4.032 -5.502 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -1.782 -3.834 -7.255 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.115 0.307 -8.114 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -0.873 0.100 -6.363 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.303 -1.150 -7.494 1.00 1.00 H new ATOM 610 N ALA A 762 -4.083 -3.265 -3.545 1.00 1.00 N ATOM 611 CA ALA A 762 -4.256 -4.118 -2.383 1.00 1.00 C ATOM 612 C ALA A 762 -5.582 -4.886 -2.403 1.00 1.00 C ATOM 613 O ALA A 762 -5.602 -6.077 -2.087 1.00 1.00 O ATOM 614 CB ALA A 762 -4.091 -3.256 -1.126 1.00 1.00 C ATOM 0 H ALA A 762 -3.956 -2.278 -3.320 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.491 -4.895 -2.391 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -4.217 -3.877 -0.239 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -3.096 -2.811 -1.118 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.842 -2.466 -1.125 1.00 1.00 H new ATOM 620 N GLU A 763 -6.658 -4.209 -2.785 1.00 1.00 N ATOM 621 CA GLU A 763 -8.013 -4.726 -2.836 1.00 1.00 C ATOM 622 C GLU A 763 -8.172 -5.742 -3.973 1.00 1.00 C ATOM 623 O GLU A 763 -8.882 -6.743 -3.833 1.00 1.00 O ATOM 624 CB GLU A 763 -8.942 -3.516 -3.085 1.00 1.00 C ATOM 625 CG GLU A 763 -10.423 -3.770 -2.807 1.00 1.00 C ATOM 626 CD GLU A 763 -11.304 -2.705 -3.476 1.00 1.00 C ATOM 627 OE1 GLU A 763 -11.423 -2.723 -4.724 1.00 1.00 O ATOM 628 OE2 GLU A 763 -11.918 -1.855 -2.778 1.00 1.00 O ATOM 0 H GLU A 763 -6.602 -3.235 -3.082 1.00 1.00 H new ATOM 0 HA GLU A 763 -8.259 -5.237 -1.905 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.608 -2.687 -2.462 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -8.832 -3.200 -4.122 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.700 -4.758 -3.174 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.599 -3.768 -1.731 1.00 1.00 H new ATOM 635 N GLU A 764 -7.517 -5.494 -5.110 1.00 1.00 N ATOM 636 CA GLU A 764 -7.458 -6.357 -6.261 1.00 1.00 C ATOM 637 C GLU A 764 -6.698 -7.640 -5.914 1.00 1.00 C ATOM 638 O GLU A 764 -7.082 -8.717 -6.381 1.00 1.00 O ATOM 639 CB GLU A 764 -6.777 -5.569 -7.379 1.00 1.00 C ATOM 640 CG GLU A 764 -6.951 -6.293 -8.699 1.00 1.00 C ATOM 641 CD GLU A 764 -6.218 -5.564 -9.818 1.00 1.00 C ATOM 642 OE1 GLU A 764 -6.559 -4.391 -10.090 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.255 -6.121 -10.404 1.00 1.00 O ATOM 0 H GLU A 764 -6.988 -4.633 -5.245 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.452 -6.663 -6.586 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -7.205 -4.569 -7.444 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.717 -5.448 -7.157 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -6.572 -7.311 -8.613 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -8.011 -6.367 -8.941 1.00 1.00 H new ATOM 650 N HIS A 765 -5.647 -7.534 -5.104 1.00 1.00 N ATOM 651 CA HIS A 765 -4.878 -8.636 -4.578 1.00 1.00 C ATOM 652 C HIS A 765 -5.585 -9.133 -3.314 1.00 1.00 C ATOM 653 O HIS A 765 -6.811 -9.124 -3.208 1.00 1.00 O ATOM 654 CB HIS A 765 -3.430 -8.199 -4.355 1.00 1.00 C ATOM 655 CG HIS A 765 -2.718 -7.842 -5.628 1.00 1.00 C ATOM 656 ND1 HIS A 765 -2.775 -8.493 -6.841 1.00 1.00 N ATOM 657 CD2 HIS A 765 -1.892 -6.774 -5.764 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.012 -7.792 -7.698 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.417 -6.758 -7.077 1.00 1.00 N ATOM 0 H HIS A 765 -5.300 -6.629 -4.787 1.00 1.00 H new ATOM 0 HA HIS A 765 -4.823 -9.471 -5.277 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.416 -7.340 -3.685 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.888 -9.002 -3.856 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.645 -6.061 -4.991 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -1.893 -8.028 -8.745 1.00 1.00 H new ATOM 0 HE2 HIS A 765 -0.754 -6.097 -7.482 1.00 1.00 H new ATOM 667 N GLY A 766 -4.810 -9.635 -2.363 1.00 1.00 N ATOM 668 CA GLY A 766 -5.218 -10.068 -1.060 1.00 1.00 C ATOM 669 C GLY A 766 -4.434 -9.290 -0.021 1.00 1.00 C ATOM 670 O GLY A 766 -3.671 -9.895 0.742 1.00 1.00 O ATOM 0 H GLY A 766 -3.807 -9.753 -2.506 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -6.287 -9.906 -0.926 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -5.041 -11.137 -0.945 1.00 1.00 H new ATOM 674 N LEU A 767 -4.595 -7.957 0.013 1.00 1.00 N ATOM 675 CA LEU A 767 -3.895 -7.147 1.001 1.00 1.00 C ATOM 676 C LEU A 767 -4.870 -6.315 1.820 1.00 1.00 C ATOM 677 O LEU A 767 -5.760 -5.688 1.245 1.00 1.00 O ATOM 678 CB LEU A 767 -2.897 -6.176 0.353 1.00 1.00 C ATOM 679 CG LEU A 767 -1.909 -6.698 -0.687 1.00 1.00 C ATOM 680 CD1 LEU A 767 -1.002 -5.580 -1.201 1.00 1.00 C ATOM 681 CD2 LEU A 767 -1.006 -7.744 -0.071 1.00 1.00 C ATOM 0 H LEU A 767 -5.195 -7.432 -0.624 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.361 -7.853 1.637 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.474 -5.379 -0.116 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.317 -5.720 1.155 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.499 -7.113 -1.504 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.310 -5.984 -1.940 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.610 -4.801 -1.661 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.439 -5.157 -0.369 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.306 -8.109 -0.823 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.452 -7.304 0.758 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.609 -8.574 0.296 1.00 1.00 H new ATOM 693 N ARG A 768 -4.711 -6.282 3.147 1.00 1.00 N ATOM 694 CA ARG A 768 -5.544 -5.399 3.963 1.00 1.00 C ATOM 695 C ARG A 768 -4.847 -4.054 3.910 1.00 1.00 C ATOM 696 O ARG A 768 -3.757 -3.921 4.472 1.00 1.00 O ATOM 697 CB ARG A 768 -5.705 -5.886 5.418 1.00 1.00 C ATOM 698 CG ARG A 768 -6.604 -4.918 6.213 1.00 1.00 C ATOM 699 CD ARG A 768 -7.087 -5.490 7.557 1.00 1.00 C ATOM 700 NE ARG A 768 -8.293 -4.805 8.062 1.00 1.00 N ATOM 701 CZ ARG A 768 -8.388 -3.583 8.600 1.00 1.00 C ATOM 702 NH1 ARG A 768 -7.318 -2.801 8.705 1.00 1.00 N ATOM 703 NH2 ARG A 768 -9.565 -3.139 9.022 1.00 1.00 N ATOM 0 H ARG A 768 -4.033 -6.840 3.666 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.563 -5.364 3.577 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -6.139 -6.886 5.428 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -4.727 -5.958 5.894 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -6.056 -3.994 6.397 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -7.471 -4.659 5.605 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -7.299 -6.553 7.441 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -6.288 -5.403 8.293 1.00 1.00 H new ATOM 0 HE ARG A 768 -9.165 -5.330 7.992 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -6.411 -3.130 8.374 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -7.404 -1.872 9.117 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -10.393 -3.728 8.936 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -9.642 -2.208 9.433 1.00 1.00 H new ATOM 717 N HIS A 769 -5.438 -3.100 3.202 1.00 1.00 N ATOM 718 CA HIS A 769 -4.984 -1.727 3.121 1.00 1.00 C ATOM 719 C HIS A 769 -5.689 -0.946 4.230 1.00 1.00 C ATOM 720 O HIS A 769 -6.911 -1.059 4.391 1.00 1.00 O ATOM 721 CB HIS A 769 -5.321 -1.134 1.745 1.00 1.00 C ATOM 722 CG HIS A 769 -6.747 -1.280 1.260 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.792 -0.399 1.453 1.00 1.00 N ATOM 724 CD2 HIS A 769 -7.214 -2.299 0.474 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.850 -0.866 0.771 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.550 -2.024 0.169 1.00 1.00 N ATOM 0 H HIS A 769 -6.278 -3.273 2.650 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.903 -1.672 3.246 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.078 -0.072 1.766 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.664 -1.596 1.008 1.00 1.00 H new ATOM 0 HD1 HIS A 769 -7.765 0.453 2.013 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.651 -3.161 0.148 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.811 -0.375 0.716 1.00 1.00 H new ATOM 734 N ASP A 770 -4.945 -0.155 4.996 1.00 1.00 N ATOM 735 CA ASP A 770 -5.505 0.732 6.022 1.00 1.00 C ATOM 736 C ASP A 770 -4.523 1.865 6.315 1.00 1.00 C ATOM 737 O ASP A 770 -3.353 1.761 5.960 1.00 1.00 O ATOM 738 CB ASP A 770 -5.787 -0.072 7.301 1.00 1.00 C ATOM 739 CG ASP A 770 -6.761 0.607 8.271 1.00 1.00 C ATOM 740 OD1 ASP A 770 -7.298 1.701 7.968 1.00 1.00 O ATOM 741 OD2 ASP A 770 -7.081 -0.031 9.302 1.00 1.00 O ATOM 0 H ASP A 770 -3.929 -0.108 4.926 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.440 1.161 5.661 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -6.190 -1.046 7.023 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.844 -0.253 7.818 1.00 1.00 H new ATOM 746 N SER A 771 -4.955 2.933 6.976 1.00 1.00 N ATOM 747 CA SER A 771 -4.082 4.030 7.373 1.00 1.00 C ATOM 748 C SER A 771 -3.612 3.739 8.797 1.00 1.00 C ATOM 749 O SER A 771 -4.318 3.076 9.570 1.00 1.00 O ATOM 750 CB SER A 771 -4.817 5.373 7.289 1.00 1.00 C ATOM 751 OG SER A 771 -5.604 5.467 6.111 1.00 1.00 O ATOM 0 H SER A 771 -5.928 3.062 7.253 1.00 1.00 H new ATOM 0 HA SER A 771 -3.227 4.105 6.702 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.456 5.494 8.164 1.00 1.00 H new ATOM 0 HB3 SER A 771 -4.092 6.187 7.308 1.00 1.00 H new ATOM 0 HG SER A 771 -6.060 6.334 6.090 1.00 1.00 H new ATOM 757 N SER A 772 -2.436 4.237 9.151 1.00 1.00 N ATOM 758 CA SER A 772 -1.761 3.986 10.415 1.00 1.00 C ATOM 759 C SER A 772 -0.985 5.238 10.837 1.00 1.00 C ATOM 760 O SER A 772 -0.794 6.152 10.033 1.00 1.00 O ATOM 761 CB SER A 772 -0.802 2.808 10.220 1.00 1.00 C ATOM 762 OG SER A 772 -1.400 1.666 9.626 1.00 1.00 O ATOM 0 H SER A 772 -1.903 4.854 8.538 1.00 1.00 H new ATOM 0 HA SER A 772 -2.484 3.748 11.195 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.033 3.132 9.599 1.00 1.00 H new ATOM 0 HB3 SER A 772 -0.388 2.526 11.188 1.00 1.00 H new ATOM 0 HG SER A 772 -1.187 0.871 10.158 1.00 1.00 H new ATOM 768 N GLY A 773 -0.535 5.287 12.088 1.00 1.00 N ATOM 769 CA GLY A 773 0.276 6.364 12.641 1.00 1.00 C ATOM 770 C GLY A 773 -0.503 7.096 13.725 1.00 1.00 C ATOM 771 O GLY A 773 -1.735 7.137 13.678 1.00 1.00 O ATOM 0 H GLY A 773 -0.733 4.552 12.767 1.00 1.00 H new ATOM 0 HA2 GLY A 773 1.200 5.959 13.055 1.00 1.00 H new ATOM 0 HA3 GLY A 773 0.559 7.060 11.851 1.00 1.00 H new ATOM 775 N GLU A 774 0.197 7.698 14.684 1.00 1.00 N ATOM 776 CA GLU A 774 -0.422 8.337 15.839 1.00 1.00 C ATOM 777 C GLU A 774 -0.689 9.823 15.558 1.00 1.00 C ATOM 778 O GLU A 774 -1.847 10.231 15.436 1.00 1.00 O ATOM 779 CB GLU A 774 0.479 8.066 17.060 1.00 1.00 C ATOM 780 CG GLU A 774 -0.186 8.347 18.415 1.00 1.00 C ATOM 781 CD GLU A 774 -0.432 9.833 18.654 1.00 1.00 C ATOM 782 OE1 GLU A 774 0.552 10.609 18.697 1.00 1.00 O ATOM 783 OE2 GLU A 774 -1.610 10.240 18.770 1.00 1.00 O ATOM 0 H GLU A 774 1.215 7.756 14.680 1.00 1.00 H new ATOM 0 HA GLU A 774 -1.406 7.921 16.055 1.00 1.00 H new ATOM 0 HB2 GLU A 774 0.799 7.024 17.036 1.00 1.00 H new ATOM 0 HB3 GLU A 774 1.377 8.678 16.976 1.00 1.00 H new ATOM 0 HG2 GLU A 774 -1.135 7.813 18.467 1.00 1.00 H new ATOM 0 HG3 GLU A 774 0.445 7.955 19.213 1.00 1.00 H new ATOM 790 N GLY A 775 0.358 10.636 15.396 1.00 1.00 N ATOM 791 CA GLY A 775 0.246 12.083 15.224 1.00 1.00 C ATOM 792 C GLY A 775 0.405 12.479 13.767 1.00 1.00 C ATOM 793 O GLY A 775 -0.072 11.782 12.866 1.00 1.00 O ATOM 0 H GLY A 775 1.321 10.300 15.381 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -0.723 12.421 15.591 1.00 1.00 H new ATOM 0 HA3 GLY A 775 1.007 12.583 15.824 1.00 1.00 H new ATOM 797 N LYS A 776 1.099 13.592 13.510 1.00 1.00 N ATOM 798 CA LYS A 776 1.334 14.104 12.157 1.00 1.00 C ATOM 799 C LYS A 776 2.354 13.264 11.378 1.00 1.00 C ATOM 800 O LYS A 776 2.960 13.747 10.418 1.00 1.00 O ATOM 801 CB LYS A 776 1.763 15.581 12.218 1.00 1.00 C ATOM 802 CG LYS A 776 0.639 16.535 12.642 1.00 1.00 C ATOM 803 CD LYS A 776 0.482 16.720 14.156 1.00 1.00 C ATOM 804 CE LYS A 776 -0.407 17.929 14.477 1.00 1.00 C ATOM 805 NZ LYS A 776 -1.709 17.873 13.786 1.00 1.00 N ATOM 0 H LYS A 776 1.517 14.167 14.241 1.00 1.00 H new ATOM 0 HA LYS A 776 0.394 14.029 11.611 1.00 1.00 H new ATOM 0 HB2 LYS A 776 2.594 15.680 12.917 1.00 1.00 H new ATOM 0 HB3 LYS A 776 2.133 15.883 11.238 1.00 1.00 H new ATOM 0 HG2 LYS A 776 0.820 17.510 12.189 1.00 1.00 H new ATOM 0 HG3 LYS A 776 -0.303 16.165 12.237 1.00 1.00 H new ATOM 0 HD2 LYS A 776 0.048 15.820 14.592 1.00 1.00 H new ATOM 0 HD3 LYS A 776 1.463 16.855 14.612 1.00 1.00 H new ATOM 0 HE2 LYS A 776 -0.572 17.978 15.553 1.00 1.00 H new ATOM 0 HE3 LYS A 776 0.113 18.844 14.192 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 -2.328 18.625 14.150 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 -1.566 18.006 12.765 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 -2.152 16.948 13.955 1.00 1.00 H new ATOM 818 N ARG A 777 2.546 11.999 11.734 1.00 1.00 N ATOM 819 CA ARG A 777 3.389 11.045 11.028 1.00 1.00 C ATOM 820 C ARG A 777 2.510 9.879 10.608 1.00 1.00 C ATOM 821 O ARG A 777 2.869 8.718 10.788 1.00 1.00 O ATOM 822 CB ARG A 777 4.615 10.654 11.853 1.00 1.00 C ATOM 823 CG ARG A 777 5.587 11.833 12.027 1.00 1.00 C ATOM 824 CD ARG A 777 7.048 11.440 11.799 1.00 1.00 C ATOM 825 NE ARG A 777 7.354 11.241 10.372 1.00 1.00 N ATOM 826 CZ ARG A 777 7.614 10.099 9.723 1.00 1.00 C ATOM 827 NH1 ARG A 777 7.555 8.926 10.343 1.00 1.00 N ATOM 828 NH2 ARG A 777 7.941 10.153 8.436 1.00 1.00 N ATOM 0 H ARG A 777 2.099 11.595 12.557 1.00 1.00 H new ATOM 0 HA ARG A 777 3.817 11.487 10.128 1.00 1.00 H new ATOM 0 HB2 ARG A 777 4.295 10.299 12.833 1.00 1.00 H new ATOM 0 HB3 ARG A 777 5.131 9.826 11.367 1.00 1.00 H new ATOM 0 HG2 ARG A 777 5.316 12.626 11.330 1.00 1.00 H new ATOM 0 HG3 ARG A 777 5.479 12.241 13.032 1.00 1.00 H new ATOM 0 HD2 ARG A 777 7.699 12.215 12.204 1.00 1.00 H new ATOM 0 HD3 ARG A 777 7.266 10.523 12.347 1.00 1.00 H new ATOM 0 HE ARG A 777 7.370 12.087 9.802 1.00 1.00 H new ATOM 0 HH11 ARG A 777 7.308 8.884 11.332 1.00 1.00 H new ATOM 0 HH12 ARG A 777 7.757 8.068 9.830 1.00 1.00 H new ATOM 0 HH21 ARG A 777 7.990 11.054 7.960 1.00 1.00 H new ATOM 0 HH22 ARG A 777 8.143 9.294 7.925 1.00 1.00 H new ATOM 842 N ARG A 778 1.331 10.199 10.074 1.00 1.00 N ATOM 843 CA ARG A 778 0.406 9.229 9.509 1.00 1.00 C ATOM 844 C ARG A 778 1.096 8.530 8.338 1.00 1.00 C ATOM 845 O ARG A 778 2.067 9.056 7.796 1.00 1.00 O ATOM 846 CB ARG A 778 -0.856 9.986 9.064 1.00 1.00 C ATOM 847 CG ARG A 778 -1.942 9.052 8.522 1.00 1.00 C ATOM 848 CD ARG A 778 -3.288 9.756 8.388 1.00 1.00 C ATOM 849 NE ARG A 778 -3.515 10.323 7.042 1.00 1.00 N ATOM 850 CZ ARG A 778 -4.595 10.068 6.289 1.00 1.00 C ATOM 851 NH1 ARG A 778 -5.608 9.359 6.781 1.00 1.00 N ATOM 852 NH2 ARG A 778 -4.687 10.527 5.047 1.00 1.00 N ATOM 0 H ARG A 778 0.990 11.159 10.023 1.00 1.00 H new ATOM 0 HA ARG A 778 0.117 8.467 10.233 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.254 10.549 9.908 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -0.588 10.711 8.295 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -1.636 8.667 7.549 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.046 8.194 9.186 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -4.085 9.049 8.617 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -3.348 10.555 9.127 1.00 1.00 H new ATOM 0 HE ARG A 778 -2.805 10.948 6.661 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -5.566 9.005 7.737 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -6.426 9.169 6.202 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -3.929 11.083 4.651 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -5.516 10.324 4.488 1.00 1.00 H new ATOM 866 N PHE A 779 0.623 7.361 7.938 1.00 1.00 N ATOM 867 CA PHE A 779 1.082 6.621 6.777 1.00 1.00 C ATOM 868 C PHE A 779 -0.054 5.703 6.324 1.00 1.00 C ATOM 869 O PHE A 779 -1.117 5.637 6.948 1.00 1.00 O ATOM 870 CB PHE A 779 2.394 5.869 7.077 1.00 1.00 C ATOM 871 CG PHE A 779 2.412 4.993 8.312 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.688 5.564 9.565 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.256 3.600 8.211 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.769 4.768 10.716 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.361 2.800 9.362 1.00 1.00 C ATOM 876 CZ PHE A 779 2.597 3.378 10.620 1.00 1.00 C ATOM 0 H PHE A 779 -0.126 6.881 8.438 1.00 1.00 H new ATOM 0 HA PHE A 779 1.326 7.299 5.959 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.633 5.246 6.215 1.00 1.00 H new ATOM 0 HB3 PHE A 779 3.193 6.604 7.170 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.840 6.630 9.643 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.056 3.146 7.252 1.00 1.00 H new ATOM 0 HE1 PHE A 779 2.964 5.224 11.676 1.00 1.00 H new ATOM 0 HE2 PHE A 779 2.259 1.728 9.278 1.00 1.00 H new ATOM 0 HZ PHE A 779 2.646 2.760 11.504 1.00 1.00 H new ATOM 886 N ILE A 780 0.168 5.025 5.209 1.00 1.00 N ATOM 887 CA ILE A 780 -0.687 4.013 4.607 1.00 1.00 C ATOM 888 C ILE A 780 0.033 2.690 4.735 1.00 1.00 C ATOM 889 O ILE A 780 1.217 2.591 4.440 1.00 1.00 O ATOM 890 CB ILE A 780 -1.096 4.419 3.174 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.753 3.302 2.321 1.00 1.00 C ATOM 892 CG2 ILE A 780 0.003 5.151 2.421 1.00 1.00 C ATOM 893 CD1 ILE A 780 -3.198 3.027 2.688 1.00 1.00 C ATOM 0 H ILE A 780 1.014 5.179 4.660 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.643 3.914 5.121 1.00 1.00 H new ATOM 0 HB ILE A 780 -1.901 5.134 3.342 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -1.701 3.582 1.269 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -1.177 2.384 2.435 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.349 5.408 1.422 1.00 1.00 H new ATOM 0 HG22 ILE A 780 0.267 6.062 2.958 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.880 4.509 2.343 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.591 2.235 2.050 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.256 2.715 3.731 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -3.788 3.933 2.547 1.00 1.00 H new ATOM 905 N THR A 781 -0.682 1.680 5.185 1.00 1.00 N ATOM 906 CA THR A 781 -0.165 0.361 5.420 1.00 1.00 C ATOM 907 C THR A 781 -0.954 -0.595 4.558 1.00 1.00 C ATOM 908 O THR A 781 -2.160 -0.439 4.353 1.00 1.00 O ATOM 909 CB THR A 781 -0.366 0.022 6.902 1.00 1.00 C ATOM 910 OG1 THR A 781 0.386 0.913 7.689 1.00 1.00 O ATOM 911 CG2 THR A 781 0.039 -1.414 7.245 1.00 1.00 C ATOM 0 H THR A 781 -1.675 1.765 5.403 1.00 1.00 H new ATOM 0 HA THR A 781 0.896 0.294 5.177 1.00 1.00 H new ATOM 0 HB THR A 781 -1.431 0.118 7.111 1.00 1.00 H new ATOM 0 HG1 THR A 781 -0.142 1.187 8.468 1.00 1.00 H new ATOM 0 HG21 THR A 781 -0.126 -1.595 8.307 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.562 -2.111 6.661 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.094 -1.560 7.011 1.00 1.00 H new ATOM 919 N VAL A 782 -0.268 -1.605 4.055 1.00 1.00 N ATOM 920 CA VAL A 782 -0.881 -2.679 3.314 1.00 1.00 C ATOM 921 C VAL A 782 -0.257 -3.935 3.907 1.00 1.00 C ATOM 922 O VAL A 782 0.955 -4.004 4.112 1.00 1.00 O ATOM 923 CB VAL A 782 -0.719 -2.524 1.799 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.737 -1.535 1.234 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.643 -1.996 1.369 1.00 1.00 C ATOM 0 H VAL A 782 0.743 -1.699 4.154 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.966 -2.704 3.413 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.858 -3.536 1.417 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.598 -1.445 0.157 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.746 -1.893 1.441 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.595 -0.560 1.701 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.676 -1.916 0.282 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.808 -1.013 1.811 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.421 -2.681 1.706 1.00 1.00 H new ATOM 935 N SER A 783 -1.094 -4.915 4.218 1.00 1.00 N ATOM 936 CA SER A 783 -0.695 -6.141 4.902 1.00 1.00 C ATOM 937 C SER A 783 -0.909 -7.292 3.938 1.00 1.00 C ATOM 938 O SER A 783 -1.951 -7.335 3.292 1.00 1.00 O ATOM 939 CB SER A 783 -1.597 -6.364 6.117 1.00 1.00 C ATOM 940 OG SER A 783 -1.909 -5.146 6.782 1.00 1.00 O ATOM 0 H SER A 783 -2.089 -4.881 3.998 1.00 1.00 H new ATOM 0 HA SER A 783 0.345 -6.074 5.223 1.00 1.00 H new ATOM 0 HB2 SER A 783 -2.520 -6.850 5.799 1.00 1.00 H new ATOM 0 HB3 SER A 783 -1.104 -7.041 6.814 1.00 1.00 H new ATOM 0 HG SER A 783 -2.567 -4.645 6.256 1.00 1.00 H new ATOM 946 N LYS A 784 0.028 -8.222 3.845 1.00 1.00 N ATOM 947 CA LYS A 784 -0.077 -9.413 3.010 1.00 1.00 C ATOM 948 C LYS A 784 -0.816 -10.563 3.634 1.00 1.00 C ATOM 949 O LYS A 784 -0.335 -11.099 4.634 1.00 1.00 O ATOM 950 CB LYS A 784 1.311 -9.942 2.585 1.00 1.00 C ATOM 951 CG LYS A 784 1.922 -9.226 1.378 1.00 1.00 C ATOM 952 CD LYS A 784 1.712 -9.938 0.020 1.00 1.00 C ATOM 953 CE LYS A 784 0.427 -10.762 -0.197 1.00 1.00 C ATOM 954 NZ LYS A 784 0.513 -12.120 0.373 1.00 1.00 N ATOM 0 H LYS A 784 0.906 -8.170 4.361 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.652 -9.063 2.153 1.00 1.00 H new ATOM 0 HB2 LYS A 784 1.994 -9.851 3.429 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.226 -11.004 2.356 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.497 -8.224 1.315 1.00 1.00 H new ATOM 0 HG3 LYS A 784 2.992 -9.108 1.548 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.752 -9.178 -0.760 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.561 -10.603 -0.138 1.00 1.00 H new ATOM 0 HE2 LYS A 784 -0.416 -10.237 0.253 1.00 1.00 H new ATOM 0 HE3 LYS A 784 0.224 -10.834 -1.265 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 0.489 -12.821 -0.395 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 1.402 -12.218 0.904 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 -0.292 -12.280 1.012 1.00 1.00 H new ATOM 967 N ARG A 785 -1.984 -10.925 3.082 1.00 1.00 N ATOM 968 CA ARG A 785 -2.625 -12.125 3.592 1.00 1.00 C ATOM 969 C ARG A 785 -1.776 -13.149 2.829 1.00 1.00 C ATOM 970 O ARG A 785 -1.780 -13.100 1.594 1.00 1.00 O ATOM 971 CB ARG A 785 -4.104 -12.248 3.197 1.00 1.00 C ATOM 972 CG ARG A 785 -5.073 -11.360 3.998 1.00 1.00 C ATOM 973 CD ARG A 785 -5.410 -10.048 3.286 1.00 1.00 C ATOM 974 NE ARG A 785 -6.482 -9.320 3.984 1.00 1.00 N ATOM 975 CZ ARG A 785 -7.434 -8.561 3.429 1.00 1.00 C ATOM 976 NH1 ARG A 785 -7.430 -8.304 2.126 1.00 1.00 N ATOM 977 NH2 ARG A 785 -8.399 -8.034 4.170 1.00 1.00 N ATOM 0 H ARG A 785 -2.471 -10.435 2.332 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.656 -12.202 4.679 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -4.202 -12.003 2.139 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.409 -13.288 3.313 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -5.994 -11.913 4.184 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.633 -11.137 4.970 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -4.519 -9.423 3.231 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -5.717 -10.257 2.261 1.00 1.00 H new ATOM 0 HE ARG A 785 -6.501 -9.403 5.000 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -6.694 -8.687 1.533 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -8.163 -7.724 1.718 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -8.421 -8.205 5.175 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -9.119 -7.457 3.735 1.00 1.00 H new ATOM 991 N ALA A 786 -0.962 -13.953 3.521 1.00 1.00 N ATOM 992 CA ALA A 786 -0.038 -14.880 2.880 1.00 1.00 C ATOM 993 C ALA A 786 -0.798 -15.736 1.883 1.00 1.00 C ATOM 994 O ALA A 786 -0.315 -15.861 0.736 1.00 1.00 O ATOM 995 CB ALA A 786 0.674 -15.741 3.924 1.00 1.00 C ATOM 0 H ALA A 786 -0.929 -13.976 4.540 1.00 1.00 H new ATOM 0 HA ALA A 786 0.728 -14.318 2.346 1.00 1.00 H new ATOM 0 HB1 ALA A 786 1.359 -16.426 3.425 1.00 1.00 H new ATOM 0 HB2 ALA A 786 1.234 -15.099 4.604 1.00 1.00 H new ATOM 0 HB3 ALA A 786 -0.063 -16.312 4.488 1.00 1.00 H new TER 1001 ALA A 786