USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 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 136:sc= 0.708 USER MOD Set 1.2: A 781 THR OG1 : rot -30:sc= 0.726 USER MOD Set 2.1: A 737 MET CE :methyl -175:sc= -0.555 (180deg=-0.569) USER MOD Set 2.2: A 765 HIS : no HE2:sc= -0.0614 X(o=-0.62,f=-1.1) USER MOD Single : A 728 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 732 MET CE :methyl 168:sc= -0.297 (180deg=-0.516) USER MOD Single : A 739 SER OG : rot 180:sc= 0 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 158:sc= -0.924 (180deg=-2.12!) USER MOD Single : A 743 GLN : amide:sc= 0.836 K(o=0.84,f=-0.13) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 751 ASN : amide:sc= -0.0452 X(o=-0.045,f=-0.014) USER MOD Single : A 752 SER OG : rot 180:sc= -0.0238 USER MOD Single : A 753 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.3) USER MOD Single : A 759 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.3) USER MOD Single : A 760 GLN : amide:sc= -0.0904 K(o=-0.09,f=-3!) USER MOD Single : A 769 HIS : no HE2:sc= -0.257 K(o=-0.26,f=-1.2) USER MOD Single : A 771 SER OG : rot 180: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 USER MOD Single : A 784 LYS NZ :NH3+ -111:sc= 0.184 (180deg=-2.06!) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 727 2.593 3.523 -11.895 1.00 1.00 N ATOM 25 CA ASP A 727 2.930 2.100 -11.766 1.00 1.00 C ATOM 26 C ASP A 727 4.035 1.849 -10.746 1.00 1.00 C ATOM 27 O ASP A 727 4.134 0.734 -10.255 1.00 1.00 O ATOM 28 CB ASP A 727 3.288 1.419 -13.097 1.00 1.00 C ATOM 29 CG ASP A 727 2.881 -0.057 -13.029 1.00 1.00 C ATOM 30 OD1 ASP A 727 1.654 -0.306 -13.114 1.00 1.00 O ATOM 31 OD2 ASP A 727 3.742 -0.953 -12.872 1.00 1.00 O ATOM 0 HA ASP A 727 2.009 1.642 -11.406 1.00 1.00 H new ATOM 0 HB2 ASP A 727 2.775 1.913 -13.922 1.00 1.00 H new ATOM 0 HB3 ASP A 727 4.358 1.506 -13.288 1.00 1.00 H new ATOM 36 N HIS A 728 4.823 2.864 -10.368 1.00 1.00 N ATOM 37 CA HIS A 728 5.836 2.773 -9.316 1.00 1.00 C ATOM 38 C HIS A 728 5.279 2.064 -8.080 1.00 1.00 C ATOM 39 O HIS A 728 5.946 1.209 -7.491 1.00 1.00 O ATOM 40 CB HIS A 728 6.287 4.180 -8.896 1.00 1.00 C ATOM 41 CG HIS A 728 7.310 4.819 -9.791 1.00 1.00 C ATOM 42 ND1 HIS A 728 8.665 4.599 -9.717 1.00 1.00 N ATOM 43 CD2 HIS A 728 7.098 5.833 -10.684 1.00 1.00 C ATOM 44 CE1 HIS A 728 9.265 5.451 -10.561 1.00 1.00 C ATOM 45 NE2 HIS A 728 8.351 6.243 -11.154 1.00 1.00 N ATOM 0 H HIS A 728 4.771 3.789 -10.795 1.00 1.00 H new ATOM 0 HA HIS A 728 6.677 2.206 -9.715 1.00 1.00 H new ATOM 0 HB2 HIS A 728 5.411 4.827 -8.853 1.00 1.00 H new ATOM 0 HB3 HIS A 728 6.694 4.127 -7.886 1.00 1.00 H new ATOM 0 HD2 HIS A 728 6.141 6.242 -10.973 1.00 1.00 H new ATOM 0 HE1 HIS A 728 10.329 5.496 -10.740 1.00 1.00 H new ATOM 0 HE2 HIS A 728 8.536 6.996 -11.817 1.00 1.00 H new ATOM 53 N PHE A 729 4.059 2.432 -7.678 1.00 1.00 N ATOM 54 CA PHE A 729 3.394 1.797 -6.557 1.00 1.00 C ATOM 55 C PHE A 729 3.089 0.361 -6.896 1.00 1.00 C ATOM 56 O PHE A 729 3.518 -0.504 -6.147 1.00 1.00 O ATOM 57 CB PHE A 729 2.128 2.555 -6.144 1.00 1.00 C ATOM 58 CG PHE A 729 2.400 4.030 -6.002 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.418 4.458 -5.132 1.00 1.00 C ATOM 60 CD2 PHE A 729 1.769 4.946 -6.862 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.837 5.791 -5.158 1.00 1.00 C ATOM 62 CE2 PHE A 729 2.183 6.284 -6.874 1.00 1.00 C ATOM 63 CZ PHE A 729 3.221 6.704 -6.031 1.00 1.00 C ATOM 0 H PHE A 729 3.516 3.173 -8.122 1.00 1.00 H new ATOM 0 HA PHE A 729 4.065 1.821 -5.699 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.347 2.396 -6.887 1.00 1.00 H new ATOM 0 HB3 PHE A 729 1.755 2.158 -5.200 1.00 1.00 H new ATOM 0 HD1 PHE A 729 3.874 3.759 -4.446 1.00 1.00 H new ATOM 0 HD2 PHE A 729 0.969 4.620 -7.510 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.634 6.119 -4.507 1.00 1.00 H new ATOM 0 HE2 PHE A 729 1.702 6.992 -7.533 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.549 7.733 -6.052 1.00 1.00 H new ATOM 73 N ARG A 730 2.385 0.104 -8.003 1.00 1.00 N ATOM 74 CA ARG A 730 2.011 -1.242 -8.423 1.00 1.00 C ATOM 75 C ARG A 730 3.237 -2.148 -8.416 1.00 1.00 C ATOM 76 O ARG A 730 3.195 -3.186 -7.775 1.00 1.00 O ATOM 77 CB ARG A 730 1.307 -1.198 -9.789 1.00 1.00 C ATOM 78 CG ARG A 730 0.525 -2.492 -10.042 1.00 1.00 C ATOM 79 CD ARG A 730 -0.167 -2.487 -11.408 1.00 1.00 C ATOM 80 NE ARG A 730 -1.007 -3.682 -11.621 1.00 1.00 N ATOM 81 CZ ARG A 730 -0.571 -4.937 -11.797 1.00 1.00 C ATOM 82 NH1 ARG A 730 0.724 -5.223 -11.841 1.00 1.00 N ATOM 83 NH2 ARG A 730 -1.431 -5.939 -11.926 1.00 1.00 N ATOM 0 H ARG A 730 2.058 0.834 -8.636 1.00 1.00 H new ATOM 0 HA ARG A 730 1.297 -1.665 -7.717 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.629 -0.345 -9.826 1.00 1.00 H new ATOM 0 HB3 ARG A 730 2.045 -1.054 -10.578 1.00 1.00 H new ATOM 0 HG2 ARG A 730 1.204 -3.343 -9.983 1.00 1.00 H new ATOM 0 HG3 ARG A 730 -0.221 -2.624 -9.258 1.00 1.00 H new ATOM 0 HD2 ARG A 730 -0.784 -1.593 -11.496 1.00 1.00 H new ATOM 0 HD3 ARG A 730 0.587 -2.432 -12.193 1.00 1.00 H new ATOM 0 HE ARG A 730 -2.017 -3.539 -11.636 1.00 1.00 H new ATOM 0 HH11 ARG A 730 1.414 -4.479 -11.740 1.00 1.00 H new ATOM 0 HH12 ARG A 730 1.029 -6.187 -11.976 1.00 1.00 H new ATOM 0 HH21 ARG A 730 -2.434 -5.758 -11.892 1.00 1.00 H new ATOM 0 HH22 ARG A 730 -1.089 -6.891 -12.060 1.00 1.00 H new ATOM 97 N ALA A 731 4.343 -1.732 -9.025 1.00 1.00 N ATOM 98 CA ALA A 731 5.612 -2.436 -9.019 1.00 1.00 C ATOM 99 C ALA A 731 6.124 -2.695 -7.605 1.00 1.00 C ATOM 100 O ALA A 731 6.551 -3.817 -7.321 1.00 1.00 O ATOM 101 CB ALA A 731 6.623 -1.617 -9.824 1.00 1.00 C ATOM 0 H ALA A 731 4.377 -0.861 -9.555 1.00 1.00 H new ATOM 0 HA ALA A 731 5.472 -3.416 -9.475 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.584 -2.131 -9.831 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.266 -1.502 -10.847 1.00 1.00 H new ATOM 0 HB3 ALA A 731 6.740 -0.634 -9.368 1.00 1.00 H new ATOM 107 N MET A 732 6.104 -1.700 -6.709 1.00 1.00 N ATOM 108 CA MET A 732 6.479 -1.956 -5.323 1.00 1.00 C ATOM 109 C MET A 732 5.561 -3.005 -4.702 1.00 1.00 C ATOM 110 O MET A 732 6.039 -3.895 -4.000 1.00 1.00 O ATOM 111 CB MET A 732 6.447 -0.682 -4.483 1.00 1.00 C ATOM 112 CG MET A 732 7.700 0.179 -4.635 1.00 1.00 C ATOM 113 SD MET A 732 7.867 1.425 -3.324 1.00 1.00 S ATOM 114 CE MET A 732 8.245 0.356 -1.909 1.00 1.00 C ATOM 0 H MET A 732 5.839 -0.737 -6.916 1.00 1.00 H new ATOM 0 HA MET A 732 7.502 -2.331 -5.331 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.574 -0.093 -4.764 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.325 -0.951 -3.434 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.579 -0.465 -4.631 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.675 0.679 -5.603 1.00 1.00 H new ATOM 0 HE1 MET A 732 8.585 0.966 -1.073 1.00 1.00 H new ATOM 0 HE2 MET A 732 7.349 -0.192 -1.617 1.00 1.00 H new ATOM 0 HE3 MET A 732 9.028 -0.350 -2.185 1.00 1.00 H new ATOM 124 N ILE A 733 4.253 -2.920 -4.950 1.00 1.00 N ATOM 125 CA ILE A 733 3.309 -3.871 -4.396 1.00 1.00 C ATOM 126 C ILE A 733 3.575 -5.260 -4.984 1.00 1.00 C ATOM 127 O ILE A 733 3.506 -6.238 -4.255 1.00 1.00 O ATOM 128 CB ILE A 733 1.821 -3.435 -4.536 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.552 -1.925 -4.318 1.00 1.00 C ATOM 130 CG2 ILE A 733 1.028 -4.213 -3.486 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.220 -1.466 -3.705 1.00 1.00 C ATOM 0 H ILE A 733 3.830 -2.198 -5.533 1.00 1.00 H new ATOM 0 HA ILE A 733 3.474 -3.908 -3.319 1.00 1.00 H new ATOM 0 HB ILE A 733 1.526 -3.643 -5.564 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.351 -1.541 -3.684 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.650 -1.434 -5.286 1.00 1.00 H new ATOM 0 HG21 ILE A 733 -0.025 -3.938 -3.548 1.00 1.00 H new ATOM 0 HG22 ILE A 733 1.135 -5.282 -3.668 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.408 -3.974 -2.493 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.210 -0.379 -3.628 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.604 -1.793 -4.339 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.108 -1.901 -2.712 1.00 1.00 H new ATOM 143 N VAL A 734 3.898 -5.379 -6.266 1.00 1.00 N ATOM 144 CA VAL A 734 4.172 -6.654 -6.926 1.00 1.00 C ATOM 145 C VAL A 734 5.444 -7.282 -6.363 1.00 1.00 C ATOM 146 O VAL A 734 5.491 -8.503 -6.193 1.00 1.00 O ATOM 147 CB VAL A 734 4.172 -6.452 -8.452 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.662 -7.669 -9.245 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.726 -6.171 -8.882 1.00 1.00 C ATOM 0 H VAL A 734 3.979 -4.577 -6.891 1.00 1.00 H new ATOM 0 HA VAL A 734 3.383 -7.377 -6.717 1.00 1.00 H new ATOM 0 HB VAL A 734 4.859 -5.633 -8.666 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.631 -7.445 -10.311 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.685 -7.905 -8.953 1.00 1.00 H new ATOM 0 HG13 VAL A 734 4.018 -8.523 -9.035 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.690 -6.022 -9.961 1.00 1.00 H new ATOM 0 HG22 VAL A 734 2.095 -7.017 -8.611 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.365 -5.273 -8.380 1.00 1.00 H new ATOM 159 N GLU A 735 6.451 -6.474 -6.035 1.00 1.00 N ATOM 160 CA GLU A 735 7.665 -6.942 -5.386 1.00 1.00 C ATOM 161 C GLU A 735 7.308 -7.463 -3.992 1.00 1.00 C ATOM 162 O GLU A 735 7.694 -8.567 -3.607 1.00 1.00 O ATOM 163 CB GLU A 735 8.666 -5.782 -5.350 1.00 1.00 C ATOM 164 CG GLU A 735 10.029 -6.171 -4.772 1.00 1.00 C ATOM 165 CD GLU A 735 10.884 -4.925 -4.544 1.00 1.00 C ATOM 166 OE1 GLU A 735 11.076 -4.129 -5.493 1.00 1.00 O ATOM 167 OE2 GLU A 735 11.354 -4.723 -3.399 1.00 1.00 O ATOM 0 H GLU A 735 6.443 -5.470 -6.215 1.00 1.00 H new ATOM 0 HA GLU A 735 8.128 -7.765 -5.930 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.804 -5.400 -6.362 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.247 -4.969 -4.757 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.894 -6.705 -3.831 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.540 -6.851 -5.454 1.00 1.00 H new ATOM 174 N PHE A 736 6.496 -6.703 -3.258 1.00 1.00 N ATOM 175 CA PHE A 736 5.979 -7.092 -1.960 1.00 1.00 C ATOM 176 C PHE A 736 5.101 -8.347 -2.052 1.00 1.00 C ATOM 177 O PHE A 736 5.110 -9.160 -1.130 1.00 1.00 O ATOM 178 CB PHE A 736 5.283 -5.861 -1.381 1.00 1.00 C ATOM 179 CG PHE A 736 4.437 -6.055 -0.148 1.00 1.00 C ATOM 180 CD1 PHE A 736 4.986 -6.651 1.000 1.00 1.00 C ATOM 181 CD2 PHE A 736 3.113 -5.575 -0.137 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.191 -6.805 2.144 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.325 -5.709 1.015 1.00 1.00 C ATOM 184 CZ PHE A 736 2.863 -6.351 2.141 1.00 1.00 C ATOM 0 H PHE A 736 6.177 -5.783 -3.561 1.00 1.00 H new ATOM 0 HA PHE A 736 6.774 -7.395 -1.278 1.00 1.00 H new ATOM 0 HB2 PHE A 736 6.048 -5.119 -1.151 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.650 -5.435 -2.160 1.00 1.00 H new ATOM 0 HD1 PHE A 736 6.012 -6.988 1.001 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.704 -5.103 -1.018 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.600 -7.273 3.027 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.317 -5.323 1.036 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.247 -6.498 3.016 1.00 1.00 H new ATOM 194 N MET A 737 4.378 -8.566 -3.155 1.00 1.00 N ATOM 195 CA MET A 737 3.607 -9.783 -3.381 1.00 1.00 C ATOM 196 C MET A 737 4.553 -10.948 -3.634 1.00 1.00 C ATOM 197 O MET A 737 4.282 -12.054 -3.165 1.00 1.00 O ATOM 198 CB MET A 737 2.609 -9.651 -4.545 1.00 1.00 C ATOM 199 CG MET A 737 1.410 -8.764 -4.196 1.00 1.00 C ATOM 200 SD MET A 737 -0.026 -8.948 -5.279 1.00 1.00 S ATOM 201 CE MET A 737 0.572 -8.106 -6.765 1.00 1.00 C ATOM 0 H MET A 737 4.314 -7.895 -3.920 1.00 1.00 H new ATOM 0 HA MET A 737 3.019 -9.964 -2.481 1.00 1.00 H new ATOM 0 HB2 MET A 737 3.122 -9.237 -5.413 1.00 1.00 H new ATOM 0 HB3 MET A 737 2.253 -10.642 -4.828 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.103 -8.981 -3.173 1.00 1.00 H new ATOM 0 HG3 MET A 737 1.730 -7.722 -4.218 1.00 1.00 H new ATOM 0 HE1 MET A 737 -0.230 -8.053 -7.501 1.00 1.00 H new ATOM 0 HE2 MET A 737 0.894 -7.097 -6.507 1.00 1.00 H new ATOM 0 HE3 MET A 737 1.413 -8.660 -7.183 1.00 1.00 H new ATOM 211 N ALA A 738 5.654 -10.726 -4.358 1.00 1.00 N ATOM 212 CA ALA A 738 6.669 -11.741 -4.607 1.00 1.00 C ATOM 213 C ALA A 738 7.255 -12.225 -3.286 1.00 1.00 C ATOM 214 O ALA A 738 7.477 -13.420 -3.101 1.00 1.00 O ATOM 215 CB ALA A 738 7.784 -11.173 -5.491 1.00 1.00 C ATOM 0 H ALA A 738 5.863 -9.826 -4.790 1.00 1.00 H new ATOM 0 HA ALA A 738 6.204 -12.581 -5.123 1.00 1.00 H new ATOM 0 HB1 ALA A 738 8.535 -11.943 -5.669 1.00 1.00 H new ATOM 0 HB2 ALA A 738 7.364 -10.849 -6.443 1.00 1.00 H new ATOM 0 HB3 ALA A 738 8.247 -10.322 -4.991 1.00 1.00 H new ATOM 221 N SER A 739 7.520 -11.288 -2.380 1.00 1.00 N ATOM 222 CA SER A 739 8.161 -11.578 -1.117 1.00 1.00 C ATOM 223 C SER A 739 7.150 -12.077 -0.073 1.00 1.00 C ATOM 224 O SER A 739 7.510 -12.893 0.771 1.00 1.00 O ATOM 225 CB SER A 739 8.883 -10.302 -0.672 1.00 1.00 C ATOM 226 OG SER A 739 10.035 -10.631 0.071 1.00 1.00 O ATOM 0 H SER A 739 7.292 -10.302 -2.510 1.00 1.00 H new ATOM 0 HA SER A 739 8.882 -12.388 -1.227 1.00 1.00 H new ATOM 0 HB2 SER A 739 9.160 -9.709 -1.544 1.00 1.00 H new ATOM 0 HB3 SER A 739 8.214 -9.688 -0.068 1.00 1.00 H new ATOM 0 HG SER A 739 10.490 -9.809 0.349 1.00 1.00 H new ATOM 232 N LYS A 740 5.897 -11.599 -0.112 1.00 1.00 N ATOM 233 CA LYS A 740 4.804 -11.861 0.840 1.00 1.00 C ATOM 234 C LYS A 740 5.243 -11.798 2.303 1.00 1.00 C ATOM 235 O LYS A 740 4.710 -12.516 3.141 1.00 1.00 O ATOM 236 CB LYS A 740 3.938 -13.080 0.452 1.00 1.00 C ATOM 237 CG LYS A 740 4.702 -14.406 0.326 1.00 1.00 C ATOM 238 CD LYS A 740 3.800 -15.469 -0.302 1.00 1.00 C ATOM 239 CE LYS A 740 4.562 -16.785 -0.454 1.00 1.00 C ATOM 240 NZ LYS A 740 3.815 -17.745 -1.285 1.00 1.00 N ATOM 0 H LYS A 740 5.599 -10.975 -0.862 1.00 1.00 H new ATOM 0 HA LYS A 740 4.114 -11.022 0.752 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.152 -13.200 1.198 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.446 -12.870 -0.498 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.593 -14.265 -0.286 1.00 1.00 H new ATOM 0 HG3 LYS A 740 5.039 -14.737 1.309 1.00 1.00 H new ATOM 0 HD2 LYS A 740 2.918 -15.621 0.320 1.00 1.00 H new ATOM 0 HD3 LYS A 740 3.449 -15.129 -1.276 1.00 1.00 H new ATOM 0 HE2 LYS A 740 5.536 -16.593 -0.903 1.00 1.00 H new ATOM 0 HE3 LYS A 740 4.744 -17.218 0.530 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 4.358 -18.628 -1.369 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 2.895 -17.945 -0.842 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 3.663 -17.341 -2.231 1.00 1.00 H new ATOM 253 N LYS A 741 6.166 -10.876 2.598 1.00 1.00 N ATOM 254 CA LYS A 741 6.814 -10.692 3.885 1.00 1.00 C ATOM 255 C LYS A 741 5.798 -10.517 5.008 1.00 1.00 C ATOM 256 O LYS A 741 5.474 -11.481 5.687 1.00 1.00 O ATOM 257 CB LYS A 741 7.754 -9.484 3.755 1.00 1.00 C ATOM 258 CG LYS A 741 9.023 -9.812 2.950 1.00 1.00 C ATOM 259 CD LYS A 741 10.310 -9.652 3.758 1.00 1.00 C ATOM 260 CE LYS A 741 10.414 -10.753 4.815 1.00 1.00 C ATOM 261 NZ LYS A 741 11.383 -10.401 5.864 1.00 1.00 N ATOM 0 H LYS A 741 6.493 -10.206 1.902 1.00 1.00 H new ATOM 0 HA LYS A 741 7.388 -11.579 4.153 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.223 -8.664 3.272 1.00 1.00 H new ATOM 0 HB3 LYS A 741 8.037 -9.139 4.749 1.00 1.00 H new ATOM 0 HG2 LYS A 741 8.958 -10.836 2.583 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.068 -9.163 2.076 1.00 1.00 H new ATOM 0 HD2 LYS A 741 11.173 -9.694 3.093 1.00 1.00 H new ATOM 0 HD3 LYS A 741 10.326 -8.674 4.239 1.00 1.00 H new ATOM 0 HE2 LYS A 741 9.435 -10.922 5.264 1.00 1.00 H new ATOM 0 HE3 LYS A 741 10.713 -11.688 4.341 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 11.430 -11.168 6.565 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 12.322 -10.264 5.438 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 11.084 -9.522 6.332 1.00 1.00 H new ATOM 274 N MET A 742 5.269 -9.305 5.179 1.00 1.00 N ATOM 275 CA MET A 742 4.213 -8.975 6.126 1.00 1.00 C ATOM 276 C MET A 742 3.521 -7.709 5.670 1.00 1.00 C ATOM 277 O MET A 742 2.364 -7.776 5.273 1.00 1.00 O ATOM 278 CB MET A 742 4.724 -8.764 7.570 1.00 1.00 C ATOM 279 CG MET A 742 4.964 -10.015 8.419 1.00 1.00 C ATOM 280 SD MET A 742 3.466 -10.830 9.057 1.00 1.00 S ATOM 281 CE MET A 742 2.943 -11.922 7.695 1.00 1.00 C ATOM 0 H MET A 742 5.579 -8.497 4.639 1.00 1.00 H new ATOM 0 HA MET A 742 3.531 -9.825 6.146 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.659 -8.206 7.519 1.00 1.00 H new ATOM 0 HB3 MET A 742 4.005 -8.134 8.094 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.522 -10.736 7.822 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.596 -9.743 9.264 1.00 1.00 H new ATOM 0 HE1 MET A 742 2.315 -12.721 8.090 1.00 1.00 H new ATOM 0 HE2 MET A 742 2.379 -11.345 6.962 1.00 1.00 H new ATOM 0 HE3 MET A 742 3.822 -12.354 7.217 1.00 1.00 H new ATOM 291 N GLN A 743 4.220 -6.573 5.674 1.00 1.00 N ATOM 292 CA GLN A 743 3.631 -5.278 5.367 1.00 1.00 C ATOM 293 C GLN A 743 4.621 -4.372 4.648 1.00 1.00 C ATOM 294 O GLN A 743 5.833 -4.566 4.759 1.00 1.00 O ATOM 295 CB GLN A 743 3.057 -4.663 6.656 1.00 1.00 C ATOM 296 CG GLN A 743 4.027 -4.596 7.849 1.00 1.00 C ATOM 297 CD GLN A 743 4.650 -3.220 8.036 1.00 1.00 C ATOM 298 OE1 GLN A 743 4.117 -2.402 8.781 1.00 1.00 O ATOM 299 NE2 GLN A 743 5.785 -2.946 7.420 1.00 1.00 N ATOM 0 H GLN A 743 5.216 -6.530 5.892 1.00 1.00 H new ATOM 0 HA GLN A 743 2.804 -5.405 4.668 1.00 1.00 H new ATOM 0 HB2 GLN A 743 2.712 -3.653 6.433 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.182 -5.240 6.954 1.00 1.00 H new ATOM 0 HG2 GLN A 743 3.494 -4.874 8.759 1.00 1.00 H new ATOM 0 HG3 GLN A 743 4.820 -5.331 7.707 1.00 1.00 H new ATOM 0 HE21 GLN A 743 6.212 -3.639 6.805 1.00 1.00 H new ATOM 0 HE22 GLN A 743 6.235 -2.041 7.559 1.00 1.00 H new ATOM 308 N LEU A 744 4.092 -3.387 3.929 1.00 1.00 N ATOM 309 CA LEU A 744 4.788 -2.365 3.166 1.00 1.00 C ATOM 310 C LEU A 744 4.104 -1.064 3.560 1.00 1.00 C ATOM 311 O LEU A 744 2.878 -0.947 3.493 1.00 1.00 O ATOM 312 CB LEU A 744 4.660 -2.673 1.661 1.00 1.00 C ATOM 313 CG LEU A 744 5.466 -1.808 0.667 1.00 1.00 C ATOM 314 CD1 LEU A 744 4.976 -2.150 -0.744 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.344 -0.291 0.837 1.00 1.00 C ATOM 0 H LEU A 744 3.080 -3.277 3.862 1.00 1.00 H new ATOM 0 HA LEU A 744 5.858 -2.314 3.369 1.00 1.00 H new ATOM 0 HB2 LEU A 744 4.950 -3.713 1.508 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.606 -2.593 1.393 1.00 1.00 H new ATOM 0 HG LEU A 744 6.513 -2.044 0.856 1.00 1.00 H new ATOM 0 HD11 LEU A 744 5.525 -1.556 -1.474 1.00 1.00 H new ATOM 0 HD12 LEU A 744 5.142 -3.209 -0.940 1.00 1.00 H new ATOM 0 HD13 LEU A 744 3.912 -1.929 -0.823 1.00 1.00 H new ATOM 0 HD21 LEU A 744 5.953 0.210 0.084 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.302 0.006 0.717 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.690 -0.007 1.831 1.00 1.00 H new ATOM 327 N GLU A 745 4.893 -0.111 4.032 1.00 1.00 N ATOM 328 CA GLU A 745 4.453 1.158 4.541 1.00 1.00 C ATOM 329 C GLU A 745 4.716 2.175 3.429 1.00 1.00 C ATOM 330 O GLU A 745 5.869 2.412 3.064 1.00 1.00 O ATOM 331 CB GLU A 745 5.292 1.405 5.798 1.00 1.00 C ATOM 332 CG GLU A 745 5.003 0.358 6.892 1.00 1.00 C ATOM 333 CD GLU A 745 5.960 0.491 8.073 1.00 1.00 C ATOM 334 OE1 GLU A 745 5.978 1.544 8.748 1.00 1.00 O ATOM 335 OE2 GLU A 745 6.765 -0.440 8.320 1.00 1.00 O ATOM 0 H GLU A 745 5.907 -0.217 4.068 1.00 1.00 H new ATOM 0 HA GLU A 745 3.398 1.217 4.809 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.351 1.379 5.540 1.00 1.00 H new ATOM 0 HB3 GLU A 745 5.083 2.402 6.185 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.977 0.472 7.242 1.00 1.00 H new ATOM 0 HG3 GLU A 745 5.086 -0.643 6.468 1.00 1.00 H new ATOM 342 N PHE A 746 3.656 2.741 2.860 1.00 1.00 N ATOM 343 CA PHE A 746 3.707 3.791 1.856 1.00 1.00 C ATOM 344 C PHE A 746 3.543 5.147 2.585 1.00 1.00 C ATOM 345 O PHE A 746 2.761 5.261 3.541 1.00 1.00 O ATOM 346 CB PHE A 746 2.629 3.526 0.781 1.00 1.00 C ATOM 347 CG PHE A 746 2.974 2.500 -0.292 1.00 1.00 C ATOM 348 CD1 PHE A 746 3.979 2.788 -1.237 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.256 1.288 -0.411 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.274 1.891 -2.276 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.543 0.399 -1.460 1.00 1.00 C ATOM 352 CZ PHE A 746 3.553 0.696 -2.391 1.00 1.00 C ATOM 0 H PHE A 746 2.702 2.468 3.097 1.00 1.00 H new ATOM 0 HA PHE A 746 4.660 3.811 1.327 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.719 3.200 1.284 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.400 4.471 0.288 1.00 1.00 H new ATOM 0 HD1 PHE A 746 4.531 3.713 -1.161 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.486 1.045 0.306 1.00 1.00 H new ATOM 0 HE1 PHE A 746 5.055 2.122 -2.985 1.00 1.00 H new ATOM 0 HE2 PHE A 746 1.983 -0.520 -1.552 1.00 1.00 H new ATOM 0 HZ PHE A 746 3.772 0.005 -3.192 1.00 1.00 H new ATOM 362 N PRO A 747 4.261 6.201 2.157 1.00 1.00 N ATOM 363 CA PRO A 747 4.254 7.479 2.856 1.00 1.00 C ATOM 364 C PRO A 747 2.939 8.257 2.673 1.00 1.00 C ATOM 365 O PRO A 747 2.189 8.019 1.724 1.00 1.00 O ATOM 366 CB PRO A 747 5.447 8.250 2.277 1.00 1.00 C ATOM 367 CG PRO A 747 5.551 7.719 0.851 1.00 1.00 C ATOM 368 CD PRO A 747 5.173 6.247 1.020 1.00 1.00 C ATOM 0 HA PRO A 747 4.333 7.335 3.933 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.276 9.326 2.294 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.359 8.063 2.843 1.00 1.00 H new ATOM 0 HG2 PRO A 747 4.872 8.238 0.174 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.556 7.836 0.446 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.696 5.860 0.120 1.00 1.00 H new ATOM 0 HD3 PRO A 747 6.056 5.634 1.202 1.00 1.00 H new ATOM 376 N PRO A 748 2.674 9.262 3.528 1.00 1.00 N ATOM 377 CA PRO A 748 1.519 10.148 3.397 1.00 1.00 C ATOM 378 C PRO A 748 1.567 10.988 2.121 1.00 1.00 C ATOM 379 O PRO A 748 0.526 11.454 1.661 1.00 1.00 O ATOM 380 CB PRO A 748 1.538 11.054 4.628 1.00 1.00 C ATOM 381 CG PRO A 748 2.984 11.004 5.116 1.00 1.00 C ATOM 382 CD PRO A 748 3.461 9.621 4.698 1.00 1.00 C ATOM 0 HA PRO A 748 0.604 9.560 3.331 1.00 1.00 H new ATOM 0 HB2 PRO A 748 1.239 12.072 4.377 1.00 1.00 H new ATOM 0 HB3 PRO A 748 0.848 10.699 5.393 1.00 1.00 H new ATOM 0 HG2 PRO A 748 3.587 11.790 4.661 1.00 1.00 H new ATOM 0 HG3 PRO A 748 3.047 11.139 6.196 1.00 1.00 H new ATOM 0 HD2 PRO A 748 4.526 9.630 4.464 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.317 8.899 5.502 1.00 1.00 H new ATOM 390 N SER A 749 2.763 11.204 1.568 1.00 1.00 N ATOM 391 CA SER A 749 3.032 12.055 0.421 1.00 1.00 C ATOM 392 C SER A 749 2.234 11.711 -0.837 1.00 1.00 C ATOM 393 O SER A 749 2.236 12.520 -1.766 1.00 1.00 O ATOM 394 CB SER A 749 4.532 12.018 0.135 1.00 1.00 C ATOM 395 OG SER A 749 5.251 12.226 1.341 1.00 1.00 O ATOM 0 H SER A 749 3.609 10.765 1.931 1.00 1.00 H new ATOM 0 HA SER A 749 2.701 13.059 0.687 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.806 11.058 -0.303 1.00 1.00 H new ATOM 0 HB3 SER A 749 4.793 12.786 -0.593 1.00 1.00 H new ATOM 0 HG SER A 749 6.213 12.200 1.157 1.00 1.00 H new ATOM 401 N LEU A 750 1.593 10.539 -0.923 1.00 1.00 N ATOM 402 CA LEU A 750 0.728 10.224 -2.045 1.00 1.00 C ATOM 403 C LEU A 750 -0.452 11.161 -1.875 1.00 1.00 C ATOM 404 O LEU A 750 -1.245 11.004 -0.949 1.00 1.00 O ATOM 405 CB LEU A 750 0.386 8.733 -2.038 1.00 1.00 C ATOM 406 CG LEU A 750 1.531 7.831 -2.553 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.535 8.542 -3.469 1.00 1.00 C ATOM 408 CD2 LEU A 750 2.306 7.176 -1.410 1.00 1.00 C ATOM 0 H LEU A 750 1.663 9.799 -0.224 1.00 1.00 H new ATOM 0 HA LEU A 750 1.176 10.378 -3.027 1.00 1.00 H new ATOM 0 HB2 LEU A 750 0.128 8.433 -1.022 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -0.499 8.569 -2.653 1.00 1.00 H new ATOM 0 HG LEU A 750 1.016 7.074 -3.145 1.00 1.00 H new ATOM 0 HD11 LEU A 750 3.304 7.836 -3.784 1.00 1.00 H new ATOM 0 HD12 LEU A 750 2.017 8.929 -4.346 1.00 1.00 H new ATOM 0 HD13 LEU A 750 2.999 9.367 -2.929 1.00 1.00 H new ATOM 0 HD21 LEU A 750 3.100 6.552 -1.820 1.00 1.00 H new ATOM 0 HD22 LEU A 750 2.742 7.948 -0.776 1.00 1.00 H new ATOM 0 HD23 LEU A 750 1.629 6.560 -0.818 1.00 1.00 H new ATOM 420 N ASN A 751 -0.563 12.086 -2.829 1.00 1.00 N ATOM 421 CA ASN A 751 -1.536 13.176 -2.810 1.00 1.00 C ATOM 422 C ASN A 751 -2.970 12.712 -2.655 1.00 1.00 C ATOM 423 O ASN A 751 -3.555 12.913 -1.596 1.00 1.00 O ATOM 424 CB ASN A 751 -1.366 14.145 -3.982 1.00 1.00 C ATOM 425 CG ASN A 751 0.055 14.640 -4.211 1.00 1.00 C ATOM 426 OD1 ASN A 751 0.502 14.720 -5.352 1.00 1.00 O ATOM 427 ND2 ASN A 751 0.802 14.968 -3.172 1.00 1.00 N ATOM 0 H ASN A 751 0.035 12.097 -3.655 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.309 13.737 -1.904 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -1.714 13.655 -4.891 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.012 15.007 -3.817 1.00 1.00 H new ATOM 0 HD21 ASN A 751 1.759 15.291 -3.314 1.00 1.00 H new ATOM 0 HD22 ASN A 751 0.422 14.898 -2.228 1.00 1.00 H new ATOM 434 N SER A 752 -3.550 12.089 -3.678 1.00 1.00 N ATOM 435 CA SER A 752 -4.920 11.596 -3.602 1.00 1.00 C ATOM 436 C SER A 752 -5.016 10.311 -4.417 1.00 1.00 C ATOM 437 O SER A 752 -5.107 9.225 -3.840 1.00 1.00 O ATOM 438 CB SER A 752 -5.899 12.686 -4.077 1.00 1.00 C ATOM 439 OG SER A 752 -5.639 13.942 -3.480 1.00 1.00 O ATOM 0 H SER A 752 -3.090 11.914 -4.571 1.00 1.00 H new ATOM 0 HA SER A 752 -5.197 11.363 -2.574 1.00 1.00 H new ATOM 0 HB2 SER A 752 -5.834 12.782 -5.161 1.00 1.00 H new ATOM 0 HB3 SER A 752 -6.919 12.381 -3.845 1.00 1.00 H new ATOM 0 HG SER A 752 -6.283 14.602 -3.812 1.00 1.00 H new ATOM 445 N HIS A 753 -4.846 10.420 -5.740 1.00 1.00 N ATOM 446 CA HIS A 753 -5.012 9.308 -6.668 1.00 1.00 C ATOM 447 C HIS A 753 -4.091 8.156 -6.312 1.00 1.00 C ATOM 448 O HIS A 753 -4.461 6.996 -6.418 1.00 1.00 O ATOM 449 CB HIS A 753 -4.602 9.717 -8.096 1.00 1.00 C ATOM 450 CG HIS A 753 -4.965 11.103 -8.540 1.00 1.00 C ATOM 451 ND1 HIS A 753 -6.195 11.536 -8.967 1.00 1.00 N ATOM 452 CD2 HIS A 753 -4.071 12.124 -8.712 1.00 1.00 C ATOM 453 CE1 HIS A 753 -6.045 12.797 -9.400 1.00 1.00 C ATOM 454 NE2 HIS A 753 -4.767 13.195 -9.278 1.00 1.00 N ATOM 0 H HIS A 753 -4.586 11.295 -6.196 1.00 1.00 H new ATOM 0 HA HIS A 753 -6.062 9.022 -6.609 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.521 9.606 -8.183 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -5.052 9.010 -8.793 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -3.022 12.106 -8.457 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -6.843 13.409 -9.793 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -4.381 14.100 -9.546 1.00 1.00 H new ATOM 462 N ASP A 754 -2.862 8.485 -5.922 1.00 1.00 N ATOM 463 CA ASP A 754 -1.804 7.549 -5.653 1.00 1.00 C ATOM 464 C ASP A 754 -2.144 6.689 -4.438 1.00 1.00 C ATOM 465 O ASP A 754 -2.080 5.467 -4.536 1.00 1.00 O ATOM 466 CB ASP A 754 -0.527 8.391 -5.556 1.00 1.00 C ATOM 467 CG ASP A 754 -0.242 9.081 -6.896 1.00 1.00 C ATOM 468 OD1 ASP A 754 -0.201 8.409 -7.954 1.00 1.00 O ATOM 469 OD2 ASP A 754 -0.182 10.331 -6.887 1.00 1.00 O ATOM 0 H ASP A 754 -2.577 9.454 -5.783 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.658 6.806 -6.437 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.635 9.138 -4.770 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.315 7.757 -5.279 1.00 1.00 H new ATOM 474 N ARG A 755 -2.602 7.280 -3.326 1.00 1.00 N ATOM 475 CA ARG A 755 -3.025 6.498 -2.161 1.00 1.00 C ATOM 476 C ARG A 755 -4.292 5.714 -2.482 1.00 1.00 C ATOM 477 O ARG A 755 -4.371 4.539 -2.121 1.00 1.00 O ATOM 478 CB ARG A 755 -3.209 7.391 -0.921 1.00 1.00 C ATOM 479 CG ARG A 755 -3.737 6.556 0.260 1.00 1.00 C ATOM 480 CD ARG A 755 -3.464 7.178 1.632 1.00 1.00 C ATOM 481 NE ARG A 755 -4.232 8.406 1.866 1.00 1.00 N ATOM 482 CZ ARG A 755 -3.956 9.358 2.764 1.00 1.00 C ATOM 483 NH1 ARG A 755 -2.846 9.299 3.496 1.00 1.00 N ATOM 484 NH2 ARG A 755 -4.817 10.352 2.922 1.00 1.00 N ATOM 0 H ARG A 755 -2.688 8.290 -3.211 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.236 5.784 -1.923 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.259 7.854 -0.653 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -3.906 8.199 -1.145 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -4.812 6.418 0.142 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -3.282 5.566 0.224 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -3.704 6.452 2.409 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -2.400 7.399 1.720 1.00 1.00 H new ATOM 0 HE ARG A 755 -5.059 8.548 1.286 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -2.196 8.522 3.375 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -2.645 10.030 4.178 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -5.671 10.381 2.364 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -4.626 11.089 3.601 1.00 1.00 H new ATOM 498 N LEU A 756 -5.277 6.335 -3.140 1.00 1.00 N ATOM 499 CA LEU A 756 -6.508 5.636 -3.490 1.00 1.00 C ATOM 500 C LEU A 756 -6.183 4.404 -4.338 1.00 1.00 C ATOM 501 O LEU A 756 -6.670 3.307 -4.064 1.00 1.00 O ATOM 502 CB LEU A 756 -7.488 6.599 -4.137 1.00 1.00 C ATOM 503 CG LEU A 756 -8.802 5.954 -4.615 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.571 5.267 -3.478 1.00 1.00 C ATOM 505 CD2 LEU A 756 -9.689 7.041 -5.227 1.00 1.00 C ATOM 0 H LEU A 756 -5.243 7.310 -3.436 1.00 1.00 H new ATOM 0 HA LEU A 756 -7.005 5.263 -2.595 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.725 7.389 -3.424 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -7.001 7.074 -4.989 1.00 1.00 H new ATOM 0 HG LEU A 756 -8.547 5.188 -5.347 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.489 4.830 -3.872 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -8.953 4.482 -3.043 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.819 6.001 -2.711 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -10.624 6.597 -5.570 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -9.902 7.802 -4.476 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -9.173 7.499 -6.071 1.00 1.00 H new ATOM 517 N ARG A 757 -5.283 4.557 -5.311 1.00 1.00 N ATOM 518 CA ARG A 757 -4.818 3.455 -6.129 1.00 1.00 C ATOM 519 C ARG A 757 -4.126 2.401 -5.282 1.00 1.00 C ATOM 520 O ARG A 757 -4.465 1.240 -5.468 1.00 1.00 O ATOM 521 CB ARG A 757 -3.969 3.963 -7.289 1.00 1.00 C ATOM 522 CG ARG A 757 -3.756 2.955 -8.427 1.00 1.00 C ATOM 523 CD ARG A 757 -5.061 2.393 -9.012 1.00 1.00 C ATOM 524 NE ARG A 757 -5.398 1.089 -8.423 1.00 1.00 N ATOM 525 CZ ARG A 757 -6.027 0.098 -9.065 1.00 1.00 C ATOM 526 NH1 ARG A 757 -6.661 0.312 -10.210 1.00 1.00 N ATOM 527 NH2 ARG A 757 -6.024 -1.128 -8.562 1.00 1.00 N ATOM 0 H ARG A 757 -4.860 5.454 -5.548 1.00 1.00 H new ATOM 0 HA ARG A 757 -5.678 2.958 -6.578 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -4.439 4.857 -7.699 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.995 4.263 -6.903 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -3.189 3.436 -9.224 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -3.149 2.128 -8.058 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -5.874 3.096 -8.832 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -4.962 2.291 -10.093 1.00 1.00 H new ATOM 0 HE ARG A 757 -5.132 0.928 -7.452 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -6.676 1.247 -10.618 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -7.134 -0.458 -10.683 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -5.541 -1.318 -7.684 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -6.504 -1.882 -9.053 1.00 1.00 H new ATOM 541 N VAL A 758 -3.210 2.756 -4.376 1.00 1.00 N ATOM 542 CA VAL A 758 -2.576 1.796 -3.458 1.00 1.00 C ATOM 543 C VAL A 758 -3.640 0.906 -2.792 1.00 1.00 C ATOM 544 O VAL A 758 -3.528 -0.322 -2.880 1.00 1.00 O ATOM 545 CB VAL A 758 -1.646 2.504 -2.440 1.00 1.00 C ATOM 546 CG1 VAL A 758 -1.179 1.586 -1.297 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.369 3.006 -3.134 1.00 1.00 C ATOM 0 H VAL A 758 -2.885 3.715 -4.256 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.928 1.137 -4.036 1.00 1.00 H new ATOM 0 HB VAL A 758 -2.244 3.318 -2.031 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.532 2.146 -0.622 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -2.046 1.219 -0.748 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.628 0.741 -1.711 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.272 3.500 -2.404 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.164 2.161 -3.571 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.636 3.713 -3.920 1.00 1.00 H new ATOM 557 N HIS A 759 -4.677 1.502 -2.181 1.00 1.00 N ATOM 558 CA HIS A 759 -5.771 0.741 -1.575 1.00 1.00 C ATOM 559 C HIS A 759 -6.377 -0.225 -2.591 1.00 1.00 C ATOM 560 O HIS A 759 -6.527 -1.408 -2.308 1.00 1.00 O ATOM 561 CB HIS A 759 -6.889 1.651 -1.043 1.00 1.00 C ATOM 562 CG HIS A 759 -6.536 2.501 0.151 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.377 2.076 1.452 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.393 3.859 0.139 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.095 3.160 2.195 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.098 4.273 1.441 1.00 1.00 N ATOM 0 H HIS A 759 -4.776 2.514 -2.096 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.340 0.193 -0.737 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -7.210 2.309 -1.850 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.744 1.028 -0.781 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.491 4.500 -0.725 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -5.893 3.140 3.256 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -5.921 5.227 1.756 1.00 1.00 H new ATOM 574 N GLN A 760 -6.743 0.278 -3.767 1.00 1.00 N ATOM 575 CA GLN A 760 -7.389 -0.484 -4.821 1.00 1.00 C ATOM 576 C GLN A 760 -6.526 -1.663 -5.283 1.00 1.00 C ATOM 577 O GLN A 760 -7.049 -2.765 -5.345 1.00 1.00 O ATOM 578 CB GLN A 760 -7.746 0.475 -5.959 1.00 1.00 C ATOM 579 CG GLN A 760 -8.884 1.430 -5.573 1.00 1.00 C ATOM 580 CD GLN A 760 -9.008 2.626 -6.515 1.00 1.00 C ATOM 581 OE1 GLN A 760 -8.073 3.047 -7.196 1.00 1.00 O ATOM 582 NE2 GLN A 760 -10.175 3.233 -6.556 1.00 1.00 N ATOM 0 H GLN A 760 -6.592 1.256 -4.016 1.00 1.00 H new ATOM 0 HA GLN A 760 -8.306 -0.936 -4.443 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.865 1.054 -6.234 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -8.038 -0.099 -6.838 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.825 0.880 -5.567 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.719 1.790 -4.558 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.951 2.885 -5.992 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -10.304 4.051 -7.151 1.00 1.00 H new ATOM 591 N ILE A 761 -5.237 -1.495 -5.620 1.00 1.00 N ATOM 592 CA ILE A 761 -4.333 -2.596 -5.961 1.00 1.00 C ATOM 593 C ILE A 761 -4.385 -3.658 -4.855 1.00 1.00 C ATOM 594 O ILE A 761 -4.594 -4.844 -5.119 1.00 1.00 O ATOM 595 CB ILE A 761 -2.899 -2.038 -6.149 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.869 -0.953 -7.239 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.928 -3.170 -6.514 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.508 -0.293 -7.479 1.00 1.00 C ATOM 0 H ILE A 761 -4.792 -0.578 -5.663 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.640 -3.067 -6.895 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.587 -1.590 -5.206 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -3.209 -1.395 -8.176 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.587 -0.177 -6.974 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.925 -2.762 -6.643 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.918 -3.912 -5.716 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -2.250 -3.640 -7.443 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.600 0.455 -8.266 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.169 0.186 -6.561 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.785 -1.050 -7.781 1.00 1.00 H new ATOM 610 N ALA A 762 -4.194 -3.221 -3.611 1.00 1.00 N ATOM 611 CA ALA A 762 -4.161 -4.113 -2.471 1.00 1.00 C ATOM 612 C ALA A 762 -5.471 -4.896 -2.323 1.00 1.00 C ATOM 613 O ALA A 762 -5.441 -6.096 -2.041 1.00 1.00 O ATOM 614 CB ALA A 762 -3.795 -3.252 -1.255 1.00 1.00 C ATOM 0 H ALA A 762 -4.059 -2.238 -3.373 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.412 -4.895 -2.590 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -3.756 -3.879 -0.364 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.821 -2.790 -1.416 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.547 -2.475 -1.120 1.00 1.00 H new ATOM 620 N GLU A 763 -6.601 -4.235 -2.548 1.00 1.00 N ATOM 621 CA GLU A 763 -7.924 -4.826 -2.488 1.00 1.00 C ATOM 622 C GLU A 763 -8.122 -5.824 -3.630 1.00 1.00 C ATOM 623 O GLU A 763 -8.702 -6.887 -3.414 1.00 1.00 O ATOM 624 CB GLU A 763 -8.961 -3.687 -2.615 1.00 1.00 C ATOM 625 CG GLU A 763 -10.418 -4.086 -2.336 1.00 1.00 C ATOM 626 CD GLU A 763 -10.939 -3.574 -0.993 1.00 1.00 C ATOM 627 OE1 GLU A 763 -11.140 -2.341 -0.855 1.00 1.00 O ATOM 628 OE2 GLU A 763 -11.182 -4.399 -0.082 1.00 1.00 O ATOM 0 H GLU A 763 -6.617 -3.243 -2.784 1.00 1.00 H new ATOM 0 HA GLU A 763 -8.045 -5.359 -1.545 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.683 -2.888 -1.928 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -8.902 -3.276 -3.623 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -11.052 -3.701 -3.134 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.501 -5.173 -2.359 1.00 1.00 H new ATOM 635 N GLU A 764 -7.672 -5.489 -4.841 1.00 1.00 N ATOM 636 CA GLU A 764 -7.791 -6.301 -6.037 1.00 1.00 C ATOM 637 C GLU A 764 -6.985 -7.592 -5.887 1.00 1.00 C ATOM 638 O GLU A 764 -7.407 -8.640 -6.381 1.00 1.00 O ATOM 639 CB GLU A 764 -7.332 -5.450 -7.239 1.00 1.00 C ATOM 640 CG GLU A 764 -7.974 -5.836 -8.573 1.00 1.00 C ATOM 641 CD GLU A 764 -7.082 -6.683 -9.481 1.00 1.00 C ATOM 642 OE1 GLU A 764 -6.271 -6.126 -10.253 1.00 1.00 O ATOM 643 OE2 GLU A 764 -7.283 -7.918 -9.544 1.00 1.00 O ATOM 0 H GLU A 764 -7.195 -4.604 -5.014 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.825 -6.606 -6.201 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -7.555 -4.403 -7.033 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -6.249 -5.533 -7.334 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -8.895 -6.385 -8.374 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -8.254 -4.926 -9.105 1.00 1.00 H new ATOM 650 N HIS A 765 -5.852 -7.549 -5.185 1.00 1.00 N ATOM 651 CA HIS A 765 -5.032 -8.696 -4.872 1.00 1.00 C ATOM 652 C HIS A 765 -5.515 -9.292 -3.553 1.00 1.00 C ATOM 653 O HIS A 765 -6.707 -9.321 -3.248 1.00 1.00 O ATOM 654 CB HIS A 765 -3.565 -8.275 -4.910 1.00 1.00 C ATOM 655 CG HIS A 765 -3.199 -7.720 -6.258 1.00 1.00 C ATOM 656 ND1 HIS A 765 -3.695 -8.097 -7.488 1.00 1.00 N ATOM 657 CD2 HIS A 765 -2.455 -6.599 -6.438 1.00 1.00 C ATOM 658 CE1 HIS A 765 -3.273 -7.190 -8.380 1.00 1.00 C ATOM 659 NE2 HIS A 765 -2.497 -6.270 -7.794 1.00 1.00 N ATOM 0 H HIS A 765 -5.476 -6.678 -4.810 1.00 1.00 H new ATOM 0 HA HIS A 765 -5.122 -9.497 -5.606 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.378 -7.525 -4.141 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.931 -9.132 -4.681 1.00 1.00 H new ATOM 0 HD1 HIS A 765 -4.275 -8.913 -7.683 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.925 -6.058 -5.669 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -3.525 -7.200 -9.430 1.00 1.00 H new ATOM 667 N GLY A 766 -4.603 -9.872 -2.799 1.00 1.00 N ATOM 668 CA GLY A 766 -4.809 -10.580 -1.568 1.00 1.00 C ATOM 669 C GLY A 766 -4.206 -9.819 -0.407 1.00 1.00 C ATOM 670 O GLY A 766 -3.420 -10.399 0.353 1.00 1.00 O ATOM 0 H GLY A 766 -3.617 -9.854 -3.061 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -5.876 -10.724 -1.400 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -4.360 -11.571 -1.633 1.00 1.00 H new ATOM 674 N LEU A 767 -4.482 -8.514 -0.296 1.00 1.00 N ATOM 675 CA LEU A 767 -3.853 -7.706 0.734 1.00 1.00 C ATOM 676 C LEU A 767 -4.906 -7.117 1.666 1.00 1.00 C ATOM 677 O LEU A 767 -6.115 -7.282 1.502 1.00 1.00 O ATOM 678 CB LEU A 767 -3.007 -6.578 0.110 1.00 1.00 C ATOM 679 CG LEU A 767 -2.092 -6.912 -1.078 1.00 1.00 C ATOM 680 CD1 LEU A 767 -1.157 -5.751 -1.410 1.00 1.00 C ATOM 681 CD2 LEU A 767 -1.155 -8.074 -0.814 1.00 1.00 C ATOM 0 H LEU A 767 -5.129 -8.008 -0.902 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.192 -8.352 1.312 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.690 -5.791 -0.210 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.384 -6.157 0.899 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.791 -7.144 -1.882 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.525 -6.023 -2.255 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.747 -4.871 -1.667 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.531 -5.529 -0.546 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.540 -8.253 -1.696 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.513 -7.838 0.035 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.738 -8.968 -0.591 1.00 1.00 H new ATOM 693 N ARG A 768 -4.383 -6.442 2.673 1.00 1.00 N ATOM 694 CA ARG A 768 -4.999 -5.641 3.711 1.00 1.00 C ATOM 695 C ARG A 768 -4.440 -4.252 3.403 1.00 1.00 C ATOM 696 O ARG A 768 -3.295 -4.157 2.962 1.00 1.00 O ATOM 697 CB ARG A 768 -4.525 -6.211 5.056 1.00 1.00 C ATOM 698 CG ARG A 768 -4.862 -5.373 6.293 1.00 1.00 C ATOM 699 CD ARG A 768 -4.433 -6.091 7.584 1.00 1.00 C ATOM 700 NE ARG A 768 -5.237 -7.303 7.847 1.00 1.00 N ATOM 701 CZ ARG A 768 -6.295 -7.405 8.659 1.00 1.00 C ATOM 702 NH1 ARG A 768 -6.629 -6.420 9.485 1.00 1.00 N ATOM 703 NH2 ARG A 768 -7.016 -8.516 8.644 1.00 1.00 N ATOM 0 H ARG A 768 -3.370 -6.446 2.796 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.088 -5.626 3.753 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -4.961 -7.202 5.183 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -3.444 -6.341 5.013 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -4.362 -4.406 6.228 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -5.934 -5.177 6.322 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -3.380 -6.365 7.512 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -4.527 -5.406 8.426 1.00 1.00 H new ATOM 0 HE ARG A 768 -4.955 -8.152 7.357 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -6.075 -5.564 9.509 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -7.440 -6.519 10.096 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -6.762 -9.280 8.018 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -7.825 -8.607 9.258 1.00 1.00 H new ATOM 717 N HIS A 769 -5.215 -3.188 3.551 1.00 1.00 N ATOM 718 CA HIS A 769 -4.819 -1.829 3.192 1.00 1.00 C ATOM 719 C HIS A 769 -5.492 -0.906 4.202 1.00 1.00 C ATOM 720 O HIS A 769 -6.723 -0.842 4.246 1.00 1.00 O ATOM 721 CB HIS A 769 -5.252 -1.543 1.742 1.00 1.00 C ATOM 722 CG HIS A 769 -6.588 -2.110 1.339 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.834 -1.608 1.628 1.00 1.00 N ATOM 724 CD2 HIS A 769 -6.758 -3.305 0.693 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.735 -2.481 1.158 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.126 -3.538 0.598 1.00 1.00 N ATOM 0 H HIS A 769 -6.159 -3.244 3.933 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.740 -1.677 3.228 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.276 -0.463 1.595 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.491 -1.939 1.069 1.00 1.00 H new ATOM 0 HD1 HIS A 769 -8.036 -0.733 2.111 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -5.973 -3.949 0.324 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.805 -2.352 1.221 1.00 1.00 H new ATOM 734 N ASP A 770 -4.722 -0.222 5.040 1.00 1.00 N ATOM 735 CA ASP A 770 -5.240 0.609 6.121 1.00 1.00 C ATOM 736 C ASP A 770 -4.280 1.763 6.419 1.00 1.00 C ATOM 737 O ASP A 770 -3.238 1.892 5.779 1.00 1.00 O ATOM 738 CB ASP A 770 -5.536 -0.244 7.361 1.00 1.00 C ATOM 739 CG ASP A 770 -6.514 0.509 8.256 1.00 1.00 C ATOM 740 OD1 ASP A 770 -7.702 0.631 7.886 1.00 1.00 O ATOM 741 OD2 ASP A 770 -6.088 1.153 9.235 1.00 1.00 O ATOM 0 H ASP A 770 -3.703 -0.229 4.987 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.184 1.054 5.808 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.958 -1.205 7.066 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.614 -0.454 7.903 1.00 1.00 H new ATOM 746 N SER A 771 -4.636 2.653 7.338 1.00 1.00 N ATOM 747 CA SER A 771 -3.808 3.771 7.738 1.00 1.00 C ATOM 748 C SER A 771 -2.982 3.352 8.950 1.00 1.00 C ATOM 749 O SER A 771 -3.272 2.365 9.629 1.00 1.00 O ATOM 750 CB SER A 771 -4.703 4.938 8.158 1.00 1.00 C ATOM 751 OG SER A 771 -5.720 5.191 7.201 1.00 1.00 O ATOM 0 H SER A 771 -5.527 2.612 7.832 1.00 1.00 H new ATOM 0 HA SER A 771 -3.165 4.068 6.910 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.159 4.718 9.123 1.00 1.00 H new ATOM 0 HB3 SER A 771 -4.096 5.834 8.289 1.00 1.00 H new ATOM 0 HG SER A 771 -6.274 5.941 7.503 1.00 1.00 H new ATOM 757 N SER A 772 -1.908 4.079 9.211 1.00 1.00 N ATOM 758 CA SER A 772 -1.073 3.887 10.385 1.00 1.00 C ATOM 759 C SER A 772 -0.528 5.242 10.825 1.00 1.00 C ATOM 760 O SER A 772 -0.649 6.220 10.085 1.00 1.00 O ATOM 761 CB SER A 772 0.005 2.860 10.055 1.00 1.00 C ATOM 762 OG SER A 772 -0.593 1.588 9.846 1.00 1.00 O ATOM 0 H SER A 772 -1.587 4.832 8.603 1.00 1.00 H new ATOM 0 HA SER A 772 -1.635 3.489 11.230 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.552 3.166 9.163 1.00 1.00 H new ATOM 0 HB3 SER A 772 0.728 2.803 10.869 1.00 1.00 H new ATOM 0 HG SER A 772 -0.194 1.164 9.058 1.00 1.00 H new ATOM 768 N GLY A 773 0.031 5.312 12.030 1.00 1.00 N ATOM 769 CA GLY A 773 0.557 6.523 12.637 1.00 1.00 C ATOM 770 C GLY A 773 -0.472 7.067 13.608 1.00 1.00 C ATOM 771 O GLY A 773 -1.665 7.146 13.308 1.00 1.00 O ATOM 0 H GLY A 773 0.132 4.494 12.630 1.00 1.00 H new ATOM 0 HA2 GLY A 773 1.491 6.310 13.157 1.00 1.00 H new ATOM 0 HA3 GLY A 773 0.781 7.264 11.869 1.00 1.00 H new ATOM 775 N GLU A 774 0.012 7.438 14.776 1.00 1.00 N ATOM 776 CA GLU A 774 -0.768 7.882 15.917 1.00 1.00 C ATOM 777 C GLU A 774 -0.856 9.403 15.958 1.00 1.00 C ATOM 778 O GLU A 774 -1.946 9.963 15.813 1.00 1.00 O ATOM 779 CB GLU A 774 -0.081 7.300 17.152 1.00 1.00 C ATOM 780 CG GLU A 774 -0.801 7.560 18.473 1.00 1.00 C ATOM 781 CD GLU A 774 -0.029 6.853 19.582 1.00 1.00 C ATOM 782 OE1 GLU A 774 1.158 7.198 19.787 1.00 1.00 O ATOM 783 OE2 GLU A 774 -0.555 5.868 20.152 1.00 1.00 O ATOM 0 H GLU A 774 1.014 7.438 14.966 1.00 1.00 H new ATOM 0 HA GLU A 774 -1.800 7.536 15.863 1.00 1.00 H new ATOM 0 HB2 GLU A 774 0.023 6.223 17.018 1.00 1.00 H new ATOM 0 HB3 GLU A 774 0.926 7.712 17.217 1.00 1.00 H new ATOM 0 HG2 GLU A 774 -0.857 8.630 18.671 1.00 1.00 H new ATOM 0 HG3 GLU A 774 -1.825 7.190 18.427 1.00 1.00 H new ATOM 790 N GLY A 775 0.287 10.063 16.151 1.00 1.00 N ATOM 791 CA GLY A 775 0.414 11.506 16.217 1.00 1.00 C ATOM 792 C GLY A 775 0.340 12.128 14.828 1.00 1.00 C ATOM 793 O GLY A 775 -0.262 11.566 13.911 1.00 1.00 O ATOM 0 H GLY A 775 1.179 9.582 16.269 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -0.378 11.915 16.845 1.00 1.00 H new ATOM 0 HA3 GLY A 775 1.362 11.770 16.687 1.00 1.00 H new ATOM 797 N LYS A 776 0.918 13.318 14.644 1.00 1.00 N ATOM 798 CA LYS A 776 0.835 14.063 13.382 1.00 1.00 C ATOM 799 C LYS A 776 1.780 13.475 12.318 1.00 1.00 C ATOM 800 O LYS A 776 2.623 14.193 11.784 1.00 1.00 O ATOM 801 CB LYS A 776 1.077 15.569 13.618 1.00 1.00 C ATOM 802 CG LYS A 776 0.242 16.170 14.764 1.00 1.00 C ATOM 803 CD LYS A 776 0.223 17.703 14.765 1.00 1.00 C ATOM 804 CE LYS A 776 -0.613 18.243 13.604 1.00 1.00 C ATOM 805 NZ LYS A 776 -0.640 19.715 13.597 1.00 1.00 N ATOM 0 H LYS A 776 1.458 13.794 15.367 1.00 1.00 H new ATOM 0 HA LYS A 776 -0.176 13.957 12.989 1.00 1.00 H new ATOM 0 HB2 LYS A 776 2.134 15.727 13.832 1.00 1.00 H new ATOM 0 HB3 LYS A 776 0.854 16.110 12.698 1.00 1.00 H new ATOM 0 HG2 LYS A 776 -0.781 15.801 14.690 1.00 1.00 H new ATOM 0 HG3 LYS A 776 0.639 15.818 15.716 1.00 1.00 H new ATOM 0 HD2 LYS A 776 -0.184 18.064 15.709 1.00 1.00 H new ATOM 0 HD3 LYS A 776 1.242 18.083 14.691 1.00 1.00 H new ATOM 0 HE2 LYS A 776 -0.204 17.881 12.661 1.00 1.00 H new ATOM 0 HE3 LYS A 776 -1.631 17.860 13.678 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 -1.215 20.048 12.797 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 -1.053 20.059 14.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 0.329 20.080 13.502 1.00 1.00 H new ATOM 818 N ARG A 777 1.706 12.165 12.058 1.00 1.00 N ATOM 819 CA ARG A 777 2.457 11.405 11.063 1.00 1.00 C ATOM 820 C ARG A 777 1.621 10.247 10.500 1.00 1.00 C ATOM 821 O ARG A 777 2.138 9.132 10.395 1.00 1.00 O ATOM 822 CB ARG A 777 3.760 10.868 11.665 1.00 1.00 C ATOM 823 CG ARG A 777 4.689 11.963 12.172 1.00 1.00 C ATOM 824 CD ARG A 777 6.080 11.388 12.450 1.00 1.00 C ATOM 825 NE ARG A 777 7.088 12.442 12.594 1.00 1.00 N ATOM 826 CZ ARG A 777 8.411 12.257 12.559 1.00 1.00 C ATOM 827 NH1 ARG A 777 8.930 11.036 12.500 1.00 1.00 N ATOM 828 NH2 ARG A 777 9.199 13.323 12.573 1.00 1.00 N ATOM 0 H ARG A 777 1.068 11.565 12.581 1.00 1.00 H new ATOM 0 HA ARG A 777 2.699 12.082 10.243 1.00 1.00 H new ATOM 0 HB2 ARG A 777 3.521 10.195 12.488 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.283 10.278 10.912 1.00 1.00 H new ATOM 0 HG2 ARG A 777 4.758 12.762 11.434 1.00 1.00 H new ATOM 0 HG3 ARG A 777 4.281 12.404 13.082 1.00 1.00 H new ATOM 0 HD2 ARG A 777 6.050 10.788 13.359 1.00 1.00 H new ATOM 0 HD3 ARG A 777 6.366 10.721 11.637 1.00 1.00 H new ATOM 0 HE ARG A 777 6.752 13.395 12.732 1.00 1.00 H new ATOM 0 HH11 ARG A 777 8.316 10.221 12.481 1.00 1.00 H new ATOM 0 HH12 ARG A 777 9.942 10.913 12.474 1.00 1.00 H new ATOM 0 HH21 ARG A 777 8.792 14.258 12.610 1.00 1.00 H new ATOM 0 HH22 ARG A 777 10.212 13.209 12.547 1.00 1.00 H new ATOM 842 N ARG A 778 0.339 10.454 10.166 1.00 1.00 N ATOM 843 CA ARG A 778 -0.456 9.399 9.521 1.00 1.00 C ATOM 844 C ARG A 778 0.250 8.966 8.234 1.00 1.00 C ATOM 845 O ARG A 778 0.916 9.784 7.599 1.00 1.00 O ATOM 846 CB ARG A 778 -1.899 9.886 9.282 1.00 1.00 C ATOM 847 CG ARG A 778 -2.873 8.902 8.604 1.00 1.00 C ATOM 848 CD ARG A 778 -2.939 9.103 7.083 1.00 1.00 C ATOM 849 NE ARG A 778 -4.023 8.326 6.451 1.00 1.00 N ATOM 850 CZ ARG A 778 -5.255 8.775 6.165 1.00 1.00 C ATOM 851 NH1 ARG A 778 -5.640 10.002 6.498 1.00 1.00 N ATOM 852 NH2 ARG A 778 -6.107 7.985 5.530 1.00 1.00 N ATOM 0 H ARG A 778 -0.163 11.327 10.328 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.533 8.526 10.169 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -2.323 10.171 10.245 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -1.854 10.789 8.674 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -2.562 7.880 8.820 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -3.869 9.029 9.029 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -3.083 10.162 6.867 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -1.985 8.814 6.641 1.00 1.00 H new ATOM 0 HE ARG A 778 -3.816 7.357 6.209 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -4.994 10.626 6.982 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -6.582 10.321 6.270 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -5.825 7.042 5.262 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -7.045 8.319 5.309 1.00 1.00 H new ATOM 866 N PHE A 779 0.101 7.709 7.832 1.00 1.00 N ATOM 867 CA PHE A 779 0.628 7.144 6.598 1.00 1.00 C ATOM 868 C PHE A 779 -0.282 5.997 6.133 1.00 1.00 C ATOM 869 O PHE A 779 -1.319 5.743 6.760 1.00 1.00 O ATOM 870 CB PHE A 779 2.092 6.723 6.806 1.00 1.00 C ATOM 871 CG PHE A 779 2.350 5.593 7.784 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.347 5.834 9.171 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.698 4.317 7.308 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.724 4.828 10.075 1.00 1.00 C ATOM 875 CE2 PHE A 779 3.052 3.308 8.217 1.00 1.00 C ATOM 876 CZ PHE A 779 3.084 3.559 9.597 1.00 1.00 C ATOM 0 H PHE A 779 -0.415 7.025 8.385 1.00 1.00 H new ATOM 0 HA PHE A 779 0.630 7.886 5.800 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.502 6.434 5.838 1.00 1.00 H new ATOM 0 HB3 PHE A 779 2.651 7.596 7.142 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.051 6.804 9.544 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.693 4.114 6.247 1.00 1.00 H new ATOM 0 HE1 PHE A 779 2.737 5.031 11.136 1.00 1.00 H new ATOM 0 HE2 PHE A 779 3.303 2.324 7.849 1.00 1.00 H new ATOM 0 HZ PHE A 779 3.383 2.782 10.285 1.00 1.00 H new ATOM 886 N ILE A 780 0.074 5.350 5.019 1.00 1.00 N ATOM 887 CA ILE A 780 -0.629 4.232 4.390 1.00 1.00 C ATOM 888 C ILE A 780 0.162 2.943 4.578 1.00 1.00 C ATOM 889 O ILE A 780 1.372 2.914 4.396 1.00 1.00 O ATOM 890 CB ILE A 780 -1.046 4.589 2.936 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.531 3.404 2.061 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.124 5.520 2.143 1.00 1.00 C ATOM 893 CD1 ILE A 780 -2.954 2.967 2.355 1.00 1.00 C ATOM 0 H ILE A 780 0.913 5.611 4.502 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.580 4.039 4.887 1.00 1.00 H new ATOM 0 HB ILE A 780 -1.922 5.195 3.166 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -1.457 3.686 1.011 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -0.862 2.556 2.211 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.539 5.682 1.148 1.00 1.00 H new ATOM 0 HG22 ILE A 780 -0.040 6.476 2.660 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.863 5.066 2.055 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.221 2.135 1.704 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.030 2.652 3.396 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -3.634 3.800 2.177 1.00 1.00 H new ATOM 905 N THR A 781 -0.530 1.871 4.929 1.00 1.00 N ATOM 906 CA THR A 781 0.045 0.569 5.190 1.00 1.00 C ATOM 907 C THR A 781 -0.746 -0.443 4.384 1.00 1.00 C ATOM 908 O THR A 781 -1.966 -0.331 4.241 1.00 1.00 O ATOM 909 CB THR A 781 -0.061 0.280 6.694 1.00 1.00 C ATOM 910 OG1 THR A 781 0.729 1.208 7.402 1.00 1.00 O ATOM 911 CG2 THR A 781 0.390 -1.134 7.073 1.00 1.00 C ATOM 0 H THR A 781 -1.543 1.888 5.043 1.00 1.00 H new ATOM 0 HA THR A 781 1.096 0.522 4.905 1.00 1.00 H new ATOM 0 HB THR A 781 -1.115 0.367 6.956 1.00 1.00 H new ATOM 0 HG1 THR A 781 1.487 1.483 6.846 1.00 1.00 H new ATOM 0 HG21 THR A 781 0.289 -1.272 8.150 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.230 -1.865 6.554 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.432 -1.273 6.785 1.00 1.00 H new ATOM 919 N VAL A 782 -0.052 -1.440 3.860 1.00 1.00 N ATOM 920 CA VAL A 782 -0.661 -2.551 3.167 1.00 1.00 C ATOM 921 C VAL A 782 0.034 -3.801 3.678 1.00 1.00 C ATOM 922 O VAL A 782 1.256 -3.798 3.847 1.00 1.00 O ATOM 923 CB VAL A 782 -0.603 -2.389 1.637 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.591 -1.352 1.127 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.742 -1.903 1.135 1.00 1.00 C ATOM 0 H VAL A 782 0.965 -1.496 3.908 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.730 -2.611 3.374 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.826 -3.391 1.272 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.511 -1.275 0.043 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.604 -1.652 1.396 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.368 -0.385 1.577 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.713 -1.811 0.049 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.966 -0.932 1.576 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.516 -2.617 1.418 1.00 1.00 H new ATOM 935 N SER A 783 -0.731 -4.858 3.928 1.00 1.00 N ATOM 936 CA SER A 783 -0.222 -6.083 4.519 1.00 1.00 C ATOM 937 C SER A 783 -0.637 -7.263 3.649 1.00 1.00 C ATOM 938 O SER A 783 -1.718 -7.272 3.061 1.00 1.00 O ATOM 939 CB SER A 783 -0.662 -6.226 5.982 1.00 1.00 C ATOM 940 OG SER A 783 -0.629 -4.974 6.648 1.00 1.00 O ATOM 0 H SER A 783 -1.730 -4.885 3.723 1.00 1.00 H new ATOM 0 HA SER A 783 0.867 -6.054 4.548 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.671 -6.637 6.023 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.008 -6.932 6.495 1.00 1.00 H new ATOM 0 HG SER A 783 -0.915 -5.091 7.578 1.00 1.00 H new ATOM 946 N LYS A 784 0.229 -8.259 3.539 1.00 1.00 N ATOM 947 CA LYS A 784 0.021 -9.464 2.759 1.00 1.00 C ATOM 948 C LYS A 784 -0.757 -10.512 3.493 1.00 1.00 C ATOM 949 O LYS A 784 -0.327 -10.943 4.563 1.00 1.00 O ATOM 950 CB LYS A 784 1.365 -10.053 2.301 1.00 1.00 C ATOM 951 CG LYS A 784 1.883 -9.349 1.044 1.00 1.00 C ATOM 952 CD LYS A 784 1.575 -10.116 -0.265 1.00 1.00 C ATOM 953 CE LYS A 784 0.269 -10.940 -0.360 1.00 1.00 C ATOM 954 NZ LYS A 784 0.412 -12.320 0.156 1.00 1.00 N ATOM 0 H LYS A 784 1.133 -8.247 4.012 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.570 -9.165 1.893 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.098 -9.957 3.102 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.248 -11.118 2.102 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.440 -8.355 0.986 1.00 1.00 H new ATOM 0 HG3 LYS A 784 2.961 -9.214 1.131 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.566 -9.390 -1.078 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.407 -10.795 -0.453 1.00 1.00 H new ATOM 0 HE2 LYS A 784 -0.516 -10.430 0.198 1.00 1.00 H new ATOM 0 HE3 LYS A 784 -0.053 -10.980 -1.401 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 0.350 -12.994 -0.634 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 1.334 -12.421 0.626 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 -0.348 -12.516 0.839 1.00 1.00 H new ATOM 967 N ARG A 785 -1.916 -10.894 2.947 1.00 1.00 N ATOM 968 CA ARG A 785 -2.628 -11.999 3.553 1.00 1.00 C ATOM 969 C ARG A 785 -1.759 -13.142 3.017 1.00 1.00 C ATOM 970 O ARG A 785 -1.694 -13.325 1.793 1.00 1.00 O ATOM 971 CB ARG A 785 -4.078 -12.061 3.038 1.00 1.00 C ATOM 972 CG ARG A 785 -4.889 -10.770 3.266 1.00 1.00 C ATOM 973 CD ARG A 785 -6.200 -10.861 2.478 1.00 1.00 C ATOM 974 NE ARG A 785 -7.121 -9.742 2.734 1.00 1.00 N ATOM 975 CZ ARG A 785 -8.114 -9.761 3.630 1.00 1.00 C ATOM 976 NH1 ARG A 785 -8.138 -10.681 4.585 1.00 1.00 N ATOM 977 NH2 ARG A 785 -9.089 -8.864 3.571 1.00 1.00 N ATOM 0 H ARG A 785 -2.356 -10.473 2.128 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.743 -11.977 4.637 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -4.063 -12.283 1.971 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.590 -12.889 3.528 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -5.096 -10.638 4.328 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.314 -9.902 2.943 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -5.972 -10.896 1.413 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.700 -11.797 2.728 1.00 1.00 H new ATOM 0 HE ARG A 785 -6.993 -8.890 2.188 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -7.397 -11.379 4.639 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -8.898 -10.690 5.265 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -9.085 -8.154 2.839 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -9.843 -8.884 4.258 1.00 1.00 H new ATOM 991 N ALA A 786 -1.040 -13.831 3.896 1.00 1.00 N ATOM 992 CA ALA A 786 -0.089 -14.864 3.547 1.00 1.00 C ATOM 993 C ALA A 786 -0.841 -16.179 3.574 1.00 1.00 C ATOM 994 O ALA A 786 -0.526 -17.042 4.419 1.00 1.00 O ATOM 995 CB ALA A 786 1.117 -14.793 4.502 1.00 1.00 C ATOM 0 H ALA A 786 -1.110 -13.676 4.902 1.00 1.00 H new ATOM 0 HA ALA A 786 0.332 -14.742 2.549 1.00 1.00 H new ATOM 0 HB1 ALA A 786 1.835 -15.571 4.240 1.00 1.00 H new ATOM 0 HB2 ALA A 786 1.593 -13.816 4.415 1.00 1.00 H new ATOM 0 HB3 ALA A 786 0.778 -14.942 5.527 1.00 1.00 H new