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 158:sc= 0.796 USER MOD Set 1.2: A 781 THR OG1 : rot 7:sc= 0.96 USER MOD Set 2.1: A 739 SER OG : rot 150:sc= 0.589 USER MOD Set 2.2: A 741 LYS NZ :NH3+ 179:sc= 0.656 (180deg=0) USER MOD Set 3.1: A 737 MET CE :methyl -166:sc= -0.238 (180deg=-0.366) USER MOD Set 3.2: A 784 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.25) USER MOD Single : A 728 HIS : no HD1:sc=-0.00429 X(o=-0.0043,f=0) USER MOD Single : A 732 MET CE :methyl -178:sc=-0.00212 (180deg=-0.0133) USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl 162:sc= -0.199 (180deg=-0.434) USER MOD Single : A 743 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.35) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0635 USER MOD Single : A 751 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 752 SER OG : rot 3:sc= 0.416 USER MOD Single : A 753 HIS : no HD1:sc= -0.0843 X(o=-0.084,f=0) USER MOD Single : A 759 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-2.1) USER MOD Single : A 760 GLN : amide:sc= -0.427 K(o=-0.43,f=-5.3!) USER MOD Single : A 765 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.13) USER MOD Single : A 769 HIS : no HE2:sc= -0.103 K(o=-0.1,f=-0.72) 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 ----------------------------------------------------------------- ATOM 24 N ASP A 727 2.871 3.387 -12.437 1.00 1.00 N ATOM 25 CA ASP A 727 3.328 2.003 -12.495 1.00 1.00 C ATOM 26 C ASP A 727 4.373 1.685 -11.436 1.00 1.00 C ATOM 27 O ASP A 727 4.305 0.604 -10.868 1.00 1.00 O ATOM 28 CB ASP A 727 3.848 1.610 -13.874 1.00 1.00 C ATOM 29 CG ASP A 727 4.113 0.103 -13.883 1.00 1.00 C ATOM 30 OD1 ASP A 727 3.118 -0.657 -13.851 1.00 1.00 O ATOM 31 OD2 ASP A 727 5.292 -0.315 -13.916 1.00 1.00 O ATOM 0 HA ASP A 727 2.441 1.405 -12.286 1.00 1.00 H new ATOM 0 HB2 ASP A 727 3.120 1.871 -14.642 1.00 1.00 H new ATOM 0 HB3 ASP A 727 4.763 2.157 -14.104 1.00 1.00 H new ATOM 36 N HIS A 728 5.267 2.618 -11.082 1.00 1.00 N ATOM 37 CA HIS A 728 6.245 2.385 -10.014 1.00 1.00 C ATOM 38 C HIS A 728 5.548 1.954 -8.712 1.00 1.00 C ATOM 39 O HIS A 728 6.038 1.070 -8.008 1.00 1.00 O ATOM 40 CB HIS A 728 7.120 3.627 -9.785 1.00 1.00 C ATOM 41 CG HIS A 728 8.130 3.910 -10.872 1.00 1.00 C ATOM 42 ND1 HIS A 728 8.311 5.106 -11.532 1.00 1.00 N ATOM 43 CD2 HIS A 728 9.071 3.040 -11.349 1.00 1.00 C ATOM 44 CE1 HIS A 728 9.326 4.960 -12.395 1.00 1.00 C ATOM 45 NE2 HIS A 728 9.792 3.702 -12.349 1.00 1.00 N ATOM 0 H HIS A 728 5.332 3.538 -11.519 1.00 1.00 H new ATOM 0 HA HIS A 728 6.897 1.571 -10.331 1.00 1.00 H new ATOM 0 HB2 HIS A 728 6.470 4.496 -9.680 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.650 3.509 -8.840 1.00 1.00 H new ATOM 0 HD2 HIS A 728 9.229 2.025 -11.014 1.00 1.00 H new ATOM 0 HE1 HIS A 728 9.712 5.740 -13.034 1.00 1.00 H new ATOM 0 HE2 HIS A 728 10.530 3.305 -12.931 1.00 1.00 H new ATOM 53 N PHE A 729 4.377 2.524 -8.396 1.00 1.00 N ATOM 54 CA PHE A 729 3.613 2.081 -7.235 1.00 1.00 C ATOM 55 C PHE A 729 3.158 0.641 -7.411 1.00 1.00 C ATOM 56 O PHE A 729 3.364 -0.162 -6.503 1.00 1.00 O ATOM 57 CB PHE A 729 2.379 2.965 -6.976 1.00 1.00 C ATOM 58 CG PHE A 729 2.639 4.397 -6.561 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.647 4.702 -5.630 1.00 1.00 C ATOM 60 CD2 PHE A 729 1.836 5.433 -7.071 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.894 6.033 -5.267 1.00 1.00 C ATOM 62 CE2 PHE A 729 2.104 6.770 -6.739 1.00 1.00 C ATOM 63 CZ PHE A 729 3.139 7.070 -5.841 1.00 1.00 C ATOM 0 H PHE A 729 3.947 3.283 -8.924 1.00 1.00 H new ATOM 0 HA PHE A 729 4.279 2.161 -6.376 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.775 2.979 -7.883 1.00 1.00 H new ATOM 0 HB3 PHE A 729 1.778 2.490 -6.200 1.00 1.00 H new ATOM 0 HD1 PHE A 729 4.233 3.908 -5.193 1.00 1.00 H new ATOM 0 HD2 PHE A 729 1.007 5.198 -7.723 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.665 6.262 -4.546 1.00 1.00 H new ATOM 0 HE2 PHE A 729 1.516 7.565 -7.173 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.356 8.098 -5.591 1.00 1.00 H new ATOM 73 N ARG A 730 2.532 0.313 -8.545 1.00 1.00 N ATOM 74 CA ARG A 730 2.070 -1.043 -8.821 1.00 1.00 C ATOM 75 C ARG A 730 3.235 -2.006 -8.703 1.00 1.00 C ATOM 76 O ARG A 730 3.088 -3.006 -8.014 1.00 1.00 O ATOM 77 CB ARG A 730 1.430 -1.101 -10.213 1.00 1.00 C ATOM 78 CG ARG A 730 0.745 -2.442 -10.502 1.00 1.00 C ATOM 79 CD ARG A 730 0.223 -2.437 -11.941 1.00 1.00 C ATOM 80 NE ARG A 730 -0.574 -3.630 -12.251 1.00 1.00 N ATOM 81 CZ ARG A 730 -0.951 -4.024 -13.473 1.00 1.00 C ATOM 82 NH1 ARG A 730 -0.445 -3.457 -14.561 1.00 1.00 N ATOM 83 NH2 ARG A 730 -1.836 -4.997 -13.610 1.00 1.00 N ATOM 0 H ARG A 730 2.334 0.979 -9.292 1.00 1.00 H new ATOM 0 HA ARG A 730 1.312 -1.334 -8.094 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.698 -0.298 -10.304 1.00 1.00 H new ATOM 0 HB3 ARG A 730 2.196 -0.921 -10.967 1.00 1.00 H new ATOM 0 HG2 ARG A 730 1.449 -3.262 -10.360 1.00 1.00 H new ATOM 0 HG3 ARG A 730 -0.077 -2.603 -9.804 1.00 1.00 H new ATOM 0 HD2 ARG A 730 -0.384 -1.546 -12.101 1.00 1.00 H new ATOM 0 HD3 ARG A 730 1.065 -2.377 -12.630 1.00 1.00 H new ATOM 0 HE ARG A 730 -0.867 -4.210 -11.465 1.00 1.00 H new ATOM 0 HH11 ARG A 730 0.242 -2.709 -14.473 1.00 1.00 H new ATOM 0 HH12 ARG A 730 -0.744 -3.770 -15.485 1.00 1.00 H new ATOM 0 HH21 ARG A 730 -2.231 -5.447 -12.784 1.00 1.00 H new ATOM 0 HH22 ARG A 730 -2.124 -5.297 -14.541 1.00 1.00 H new ATOM 97 N ALA A 731 4.386 -1.689 -9.290 1.00 1.00 N ATOM 98 CA ALA A 731 5.558 -2.531 -9.225 1.00 1.00 C ATOM 99 C ALA A 731 5.996 -2.751 -7.785 1.00 1.00 C ATOM 100 O ALA A 731 6.323 -3.893 -7.460 1.00 1.00 O ATOM 101 CB ALA A 731 6.688 -1.945 -10.076 1.00 1.00 C ATOM 0 H ALA A 731 4.524 -0.832 -9.826 1.00 1.00 H new ATOM 0 HA ALA A 731 5.303 -3.508 -9.636 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.563 -2.592 -10.015 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.362 -1.872 -11.114 1.00 1.00 H new ATOM 0 HB3 ALA A 731 6.945 -0.952 -9.706 1.00 1.00 H new ATOM 107 N MET A 732 5.951 -1.735 -6.911 1.00 1.00 N ATOM 108 CA MET A 732 6.268 -1.971 -5.509 1.00 1.00 C ATOM 109 C MET A 732 5.291 -2.962 -4.888 1.00 1.00 C ATOM 110 O MET A 732 5.716 -3.851 -4.154 1.00 1.00 O ATOM 111 CB MET A 732 6.259 -0.670 -4.706 1.00 1.00 C ATOM 112 CG MET A 732 7.552 0.115 -4.902 1.00 1.00 C ATOM 113 SD MET A 732 7.788 1.546 -3.808 1.00 1.00 S ATOM 114 CE MET A 732 6.426 2.607 -4.341 1.00 1.00 C ATOM 0 H MET A 732 5.705 -0.773 -7.146 1.00 1.00 H new ATOM 0 HA MET A 732 7.273 -2.392 -5.474 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.410 -0.058 -5.012 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.125 -0.895 -3.648 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.392 -0.566 -4.763 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.590 0.462 -5.935 1.00 1.00 H new ATOM 0 HE1 MET A 732 6.456 3.544 -3.786 1.00 1.00 H new ATOM 0 HE2 MET A 732 6.521 2.813 -5.407 1.00 1.00 H new ATOM 0 HE3 MET A 732 5.478 2.104 -4.152 1.00 1.00 H new ATOM 124 N ILE A 733 3.991 -2.807 -5.146 1.00 1.00 N ATOM 125 CA ILE A 733 2.993 -3.725 -4.599 1.00 1.00 C ATOM 126 C ILE A 733 3.143 -5.132 -5.179 1.00 1.00 C ATOM 127 O ILE A 733 3.039 -6.097 -4.435 1.00 1.00 O ATOM 128 CB ILE A 733 1.549 -3.168 -4.652 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.556 -1.705 -4.172 1.00 1.00 C ATOM 130 CG2 ILE A 733 0.647 -4.001 -3.725 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.264 -1.087 -3.663 1.00 1.00 C ATOM 0 H ILE A 733 3.608 -2.060 -5.726 1.00 1.00 H new ATOM 0 HA ILE A 733 3.199 -3.816 -3.532 1.00 1.00 H new ATOM 0 HB ILE A 733 1.171 -3.221 -5.673 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.295 -1.624 -3.375 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.911 -1.090 -4.999 1.00 1.00 H new ATOM 0 HG21 ILE A 733 -0.370 -3.611 -3.760 1.00 1.00 H new ATOM 0 HG22 ILE A 733 0.649 -5.040 -4.053 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.023 -3.943 -2.703 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.447 -0.054 -3.366 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.486 -1.110 -4.453 1.00 1.00 H new ATOM 0 HD13 ILE A 733 -0.096 -1.653 -2.804 1.00 1.00 H new ATOM 143 N VAL A 734 3.424 -5.276 -6.468 1.00 1.00 N ATOM 144 CA VAL A 734 3.617 -6.574 -7.107 1.00 1.00 C ATOM 145 C VAL A 734 4.881 -7.242 -6.538 1.00 1.00 C ATOM 146 O VAL A 734 4.892 -8.457 -6.310 1.00 1.00 O ATOM 147 CB VAL A 734 3.608 -6.386 -8.640 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.028 -7.645 -9.407 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.193 -6.006 -9.116 1.00 1.00 C ATOM 0 H VAL A 734 3.526 -4.487 -7.107 1.00 1.00 H new ATOM 0 HA VAL A 734 2.801 -7.263 -6.886 1.00 1.00 H new ATOM 0 HB VAL A 734 4.331 -5.597 -8.847 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.000 -7.445 -10.478 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.040 -7.927 -9.117 1.00 1.00 H new ATOM 0 HG13 VAL A 734 3.343 -8.460 -9.172 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.196 -5.875 -10.198 1.00 1.00 H new ATOM 0 HG22 VAL A 734 1.494 -6.798 -8.848 1.00 1.00 H new ATOM 0 HG23 VAL A 734 1.886 -5.075 -8.639 1.00 1.00 H new ATOM 159 N GLU A 735 5.921 -6.460 -6.242 1.00 1.00 N ATOM 160 CA GLU A 735 7.125 -6.958 -5.602 1.00 1.00 C ATOM 161 C GLU A 735 6.795 -7.417 -4.183 1.00 1.00 C ATOM 162 O GLU A 735 7.187 -8.505 -3.771 1.00 1.00 O ATOM 163 CB GLU A 735 8.187 -5.854 -5.621 1.00 1.00 C ATOM 164 CG GLU A 735 9.420 -6.242 -4.808 1.00 1.00 C ATOM 165 CD GLU A 735 10.598 -5.313 -5.079 1.00 1.00 C ATOM 166 OE1 GLU A 735 10.422 -4.073 -5.094 1.00 1.00 O ATOM 167 OE2 GLU A 735 11.733 -5.831 -5.233 1.00 1.00 O ATOM 0 H GLU A 735 5.945 -5.460 -6.443 1.00 1.00 H new ATOM 0 HA GLU A 735 7.523 -7.819 -6.139 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.480 -5.649 -6.651 1.00 1.00 H new ATOM 0 HB3 GLU A 735 7.762 -4.933 -5.221 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.176 -6.218 -3.746 1.00 1.00 H new ATOM 0 HG3 GLU A 735 9.704 -7.267 -5.047 1.00 1.00 H new ATOM 174 N PHE A 736 6.049 -6.603 -3.436 1.00 1.00 N ATOM 175 CA PHE A 736 5.592 -6.924 -2.096 1.00 1.00 C ATOM 176 C PHE A 736 4.729 -8.190 -2.100 1.00 1.00 C ATOM 177 O PHE A 736 4.866 -9.008 -1.193 1.00 1.00 O ATOM 178 CB PHE A 736 4.850 -5.706 -1.534 1.00 1.00 C ATOM 179 CG PHE A 736 4.177 -5.903 -0.191 1.00 1.00 C ATOM 180 CD1 PHE A 736 4.887 -6.445 0.898 1.00 1.00 C ATOM 181 CD2 PHE A 736 2.826 -5.537 -0.035 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.232 -6.666 2.122 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.179 -5.740 1.192 1.00 1.00 C ATOM 184 CZ PHE A 736 2.874 -6.331 2.255 1.00 1.00 C ATOM 0 H PHE A 736 5.743 -5.685 -3.758 1.00 1.00 H new ATOM 0 HA PHE A 736 6.441 -7.143 -1.448 1.00 1.00 H new ATOM 0 HB2 PHE A 736 5.558 -4.882 -1.446 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.093 -5.401 -2.257 1.00 1.00 H new ATOM 0 HD1 PHE A 736 5.933 -6.691 0.793 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.287 -5.099 -0.862 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.770 -7.091 2.956 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.149 -5.442 1.317 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.362 -6.531 3.185 1.00 1.00 H new ATOM 194 N MET A 737 3.889 -8.385 -3.119 1.00 1.00 N ATOM 195 CA MET A 737 3.079 -9.580 -3.318 1.00 1.00 C ATOM 196 C MET A 737 3.961 -10.813 -3.444 1.00 1.00 C ATOM 197 O MET A 737 3.716 -11.784 -2.723 1.00 1.00 O ATOM 198 CB MET A 737 2.129 -9.415 -4.514 1.00 1.00 C ATOM 199 CG MET A 737 0.919 -8.534 -4.189 1.00 1.00 C ATOM 200 SD MET A 737 -0.265 -9.248 -3.021 1.00 1.00 S ATOM 201 CE MET A 737 -0.958 -10.562 -4.052 1.00 1.00 C ATOM 0 H MET A 737 3.752 -7.689 -3.852 1.00 1.00 H new ATOM 0 HA MET A 737 2.451 -9.722 -2.438 1.00 1.00 H new ATOM 0 HB2 MET A 737 2.676 -8.980 -5.350 1.00 1.00 H new ATOM 0 HB3 MET A 737 1.783 -10.397 -4.836 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.278 -7.587 -3.785 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.396 -8.306 -5.118 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.869 -10.944 -3.591 1.00 1.00 H new ATOM 0 HE2 MET A 737 -1.191 -10.165 -5.040 1.00 1.00 H new ATOM 0 HE3 MET A 737 -0.233 -11.370 -4.148 1.00 1.00 H new ATOM 211 N ALA A 738 4.981 -10.766 -4.305 1.00 1.00 N ATOM 212 CA ALA A 738 5.892 -11.887 -4.498 1.00 1.00 C ATOM 213 C ALA A 738 6.751 -12.141 -3.250 1.00 1.00 C ATOM 214 O ALA A 738 6.949 -13.289 -2.854 1.00 1.00 O ATOM 215 CB ALA A 738 6.765 -11.614 -5.725 1.00 1.00 C ATOM 0 H ALA A 738 5.194 -9.953 -4.883 1.00 1.00 H new ATOM 0 HA ALA A 738 5.308 -12.792 -4.664 1.00 1.00 H new ATOM 0 HB1 ALA A 738 7.450 -12.448 -5.877 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.131 -11.500 -6.604 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.336 -10.699 -5.569 1.00 1.00 H new ATOM 221 N SER A 739 7.278 -11.075 -2.642 1.00 1.00 N ATOM 222 CA SER A 739 8.178 -11.124 -1.496 1.00 1.00 C ATOM 223 C SER A 739 7.440 -11.585 -0.231 1.00 1.00 C ATOM 224 O SER A 739 8.021 -12.293 0.592 1.00 1.00 O ATOM 225 CB SER A 739 8.807 -9.731 -1.332 1.00 1.00 C ATOM 226 OG SER A 739 9.907 -9.706 -0.436 1.00 1.00 O ATOM 0 H SER A 739 7.080 -10.122 -2.948 1.00 1.00 H new ATOM 0 HA SER A 739 8.967 -11.857 -1.662 1.00 1.00 H new ATOM 0 HB2 SER A 739 9.136 -9.373 -2.308 1.00 1.00 H new ATOM 0 HB3 SER A 739 8.045 -9.037 -0.978 1.00 1.00 H new ATOM 0 HG SER A 739 10.535 -9.005 -0.709 1.00 1.00 H new ATOM 232 N LYS A 740 6.171 -11.186 -0.067 1.00 1.00 N ATOM 233 CA LYS A 740 5.261 -11.539 1.027 1.00 1.00 C ATOM 234 C LYS A 740 5.943 -11.478 2.398 1.00 1.00 C ATOM 235 O LYS A 740 5.843 -12.420 3.179 1.00 1.00 O ATOM 236 CB LYS A 740 4.440 -12.816 0.717 1.00 1.00 C ATOM 237 CG LYS A 740 5.331 -14.039 0.452 1.00 1.00 C ATOM 238 CD LYS A 740 4.577 -15.362 0.302 1.00 1.00 C ATOM 239 CE LYS A 740 5.640 -16.464 0.204 1.00 1.00 C ATOM 240 NZ LYS A 740 5.079 -17.757 -0.215 1.00 1.00 N ATOM 0 H LYS A 740 5.725 -10.566 -0.743 1.00 1.00 H new ATOM 0 HA LYS A 740 4.498 -10.765 1.101 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.776 -13.029 1.555 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.808 -12.636 -0.153 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.908 -13.861 -0.456 1.00 1.00 H new ATOM 0 HG3 LYS A 740 6.045 -14.135 1.270 1.00 1.00 H new ATOM 0 HD2 LYS A 740 3.920 -15.532 1.155 1.00 1.00 H new ATOM 0 HD3 LYS A 740 3.948 -15.351 -0.588 1.00 1.00 H new ATOM 0 HE2 LYS A 740 6.409 -16.159 -0.506 1.00 1.00 H new ATOM 0 HE3 LYS A 740 6.127 -16.580 1.172 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 5.839 -18.465 -0.265 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 4.364 -18.065 0.474 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 4.637 -17.657 -1.151 1.00 1.00 H new ATOM 253 N LYS A 741 6.599 -10.347 2.697 1.00 1.00 N ATOM 254 CA LYS A 741 7.318 -10.083 3.942 1.00 1.00 C ATOM 255 C LYS A 741 6.370 -10.326 5.116 1.00 1.00 C ATOM 256 O LYS A 741 6.506 -11.330 5.804 1.00 1.00 O ATOM 257 CB LYS A 741 7.879 -8.661 3.895 1.00 1.00 C ATOM 258 CG LYS A 741 9.144 -8.589 3.033 1.00 1.00 C ATOM 259 CD LYS A 741 10.408 -9.092 3.746 1.00 1.00 C ATOM 260 CE LYS A 741 11.666 -8.710 2.961 1.00 1.00 C ATOM 261 NZ LYS A 741 11.866 -9.539 1.758 1.00 1.00 N ATOM 0 H LYS A 741 6.642 -9.562 2.048 1.00 1.00 H new ATOM 0 HA LYS A 741 8.166 -10.755 4.072 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.125 -7.983 3.495 1.00 1.00 H new ATOM 0 HB3 LYS A 741 8.106 -8.324 4.906 1.00 1.00 H new ATOM 0 HG2 LYS A 741 8.990 -9.177 2.128 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.301 -7.557 2.720 1.00 1.00 H new ATOM 0 HD2 LYS A 741 10.458 -8.668 4.749 1.00 1.00 H new ATOM 0 HD3 LYS A 741 10.360 -10.175 3.859 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.601 -7.662 2.667 1.00 1.00 H new ATOM 0 HE3 LYS A 741 12.536 -8.805 3.610 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 12.722 -9.225 1.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 11.974 -10.535 2.037 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 11.043 -9.443 1.129 1.00 1.00 H new ATOM 274 N MET A 742 5.483 -9.365 5.371 1.00 1.00 N ATOM 275 CA MET A 742 4.377 -9.330 6.327 1.00 1.00 C ATOM 276 C MET A 742 3.545 -8.130 5.904 1.00 1.00 C ATOM 277 O MET A 742 2.439 -8.276 5.390 1.00 1.00 O ATOM 278 CB MET A 742 4.773 -9.186 7.811 1.00 1.00 C ATOM 279 CG MET A 742 5.203 -10.457 8.542 1.00 1.00 C ATOM 280 SD MET A 742 3.935 -11.742 8.742 1.00 1.00 S ATOM 281 CE MET A 742 4.370 -12.881 7.392 1.00 1.00 C ATOM 0 H MET A 742 5.528 -8.489 4.850 1.00 1.00 H new ATOM 0 HA MET A 742 3.858 -10.288 6.294 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.589 -8.466 7.875 1.00 1.00 H new ATOM 0 HB3 MET A 742 3.926 -8.757 8.347 1.00 1.00 H new ATOM 0 HG2 MET A 742 6.047 -10.891 8.006 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.564 -10.176 9.531 1.00 1.00 H new ATOM 0 HE1 MET A 742 3.908 -13.852 7.572 1.00 1.00 H new ATOM 0 HE2 MET A 742 4.011 -12.477 6.445 1.00 1.00 H new ATOM 0 HE3 MET A 742 5.453 -12.998 7.349 1.00 1.00 H new ATOM 291 N GLN A 743 4.122 -6.935 6.038 1.00 1.00 N ATOM 292 CA GLN A 743 3.485 -5.668 5.722 1.00 1.00 C ATOM 293 C GLN A 743 4.492 -4.735 5.054 1.00 1.00 C ATOM 294 O GLN A 743 5.690 -5.032 5.012 1.00 1.00 O ATOM 295 CB GLN A 743 2.734 -5.112 6.945 1.00 1.00 C ATOM 296 CG GLN A 743 3.523 -5.015 8.255 1.00 1.00 C ATOM 297 CD GLN A 743 4.355 -3.747 8.335 1.00 1.00 C ATOM 298 OE1 GLN A 743 3.909 -2.748 8.889 1.00 1.00 O ATOM 299 NE2 GLN A 743 5.576 -3.761 7.835 1.00 1.00 N ATOM 0 H GLN A 743 5.076 -6.825 6.381 1.00 1.00 H new ATOM 0 HA GLN A 743 2.697 -5.798 4.980 1.00 1.00 H new ATOM 0 HB2 GLN A 743 2.367 -4.116 6.695 1.00 1.00 H new ATOM 0 HB3 GLN A 743 1.860 -5.739 7.121 1.00 1.00 H new ATOM 0 HG2 GLN A 743 2.831 -5.046 9.096 1.00 1.00 H new ATOM 0 HG3 GLN A 743 4.177 -5.882 8.348 1.00 1.00 H new ATOM 0 HE21 GLN A 743 5.930 -4.601 7.378 1.00 1.00 H new ATOM 0 HE22 GLN A 743 6.166 -2.932 7.906 1.00 1.00 H new ATOM 308 N LEU A 744 3.999 -3.657 4.458 1.00 1.00 N ATOM 309 CA LEU A 744 4.773 -2.617 3.810 1.00 1.00 C ATOM 310 C LEU A 744 4.089 -1.310 4.182 1.00 1.00 C ATOM 311 O LEU A 744 2.877 -1.162 3.988 1.00 1.00 O ATOM 312 CB LEU A 744 4.837 -2.888 2.297 1.00 1.00 C ATOM 313 CG LEU A 744 5.889 -2.053 1.541 1.00 1.00 C ATOM 314 CD1 LEU A 744 6.060 -2.602 0.122 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.527 -0.574 1.452 1.00 1.00 C ATOM 0 H LEU A 744 2.996 -3.479 4.414 1.00 1.00 H new ATOM 0 HA LEU A 744 5.814 -2.579 4.132 1.00 1.00 H new ATOM 0 HB2 LEU A 744 5.049 -3.945 2.139 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.856 -2.692 1.864 1.00 1.00 H new ATOM 0 HG LEU A 744 6.816 -2.133 2.108 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.804 -2.010 -0.410 1.00 1.00 H new ATOM 0 HD12 LEU A 744 6.389 -3.640 0.171 1.00 1.00 H new ATOM 0 HD13 LEU A 744 5.108 -2.548 -0.406 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.307 -0.041 0.909 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.578 -0.463 0.927 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.437 -0.160 2.456 1.00 1.00 H new ATOM 327 N GLU A 745 4.844 -0.401 4.788 1.00 1.00 N ATOM 328 CA GLU A 745 4.375 0.894 5.195 1.00 1.00 C ATOM 329 C GLU A 745 4.756 1.856 4.062 1.00 1.00 C ATOM 330 O GLU A 745 5.937 2.165 3.894 1.00 1.00 O ATOM 331 CB GLU A 745 5.125 1.204 6.502 1.00 1.00 C ATOM 332 CG GLU A 745 4.741 0.258 7.651 1.00 1.00 C ATOM 333 CD GLU A 745 5.607 0.458 8.900 1.00 1.00 C ATOM 334 OE1 GLU A 745 5.286 1.305 9.764 1.00 1.00 O ATOM 335 OE2 GLU A 745 6.570 -0.319 9.104 1.00 1.00 O ATOM 0 H GLU A 745 5.826 -0.561 5.011 1.00 1.00 H new ATOM 0 HA GLU A 745 3.302 0.968 5.369 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.198 1.135 6.324 1.00 1.00 H new ATOM 0 HB3 GLU A 745 4.917 2.232 6.799 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.694 0.416 7.911 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.833 -0.774 7.312 1.00 1.00 H new ATOM 342 N PHE A 746 3.779 2.411 3.344 1.00 1.00 N ATOM 343 CA PHE A 746 3.959 3.407 2.288 1.00 1.00 C ATOM 344 C PHE A 746 3.799 4.807 2.916 1.00 1.00 C ATOM 345 O PHE A 746 3.122 4.948 3.945 1.00 1.00 O ATOM 346 CB PHE A 746 2.953 3.151 1.146 1.00 1.00 C ATOM 347 CG PHE A 746 3.271 2.011 0.190 1.00 1.00 C ATOM 348 CD1 PHE A 746 4.507 1.952 -0.486 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.295 1.033 -0.082 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.766 0.918 -1.404 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.556 0.002 -0.999 1.00 1.00 C ATOM 352 CZ PHE A 746 3.794 -0.065 -1.653 1.00 1.00 C ATOM 0 H PHE A 746 2.799 2.168 3.489 1.00 1.00 H new ATOM 0 HA PHE A 746 4.954 3.338 1.848 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.977 2.958 1.591 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.862 4.067 0.563 1.00 1.00 H new ATOM 0 HD1 PHE A 746 5.259 2.704 -0.298 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.339 1.076 0.418 1.00 1.00 H new ATOM 0 HE1 PHE A 746 5.715 0.880 -1.919 1.00 1.00 H new ATOM 0 HE2 PHE A 746 1.800 -0.742 -1.201 1.00 1.00 H new ATOM 0 HZ PHE A 746 3.999 -0.868 -2.345 1.00 1.00 H new ATOM 362 N PRO A 747 4.392 5.863 2.336 1.00 1.00 N ATOM 363 CA PRO A 747 4.388 7.193 2.941 1.00 1.00 C ATOM 364 C PRO A 747 3.081 8.003 2.819 1.00 1.00 C ATOM 365 O PRO A 747 2.254 7.754 1.941 1.00 1.00 O ATOM 366 CB PRO A 747 5.553 7.908 2.250 1.00 1.00 C ATOM 367 CG PRO A 747 5.607 7.285 0.859 1.00 1.00 C ATOM 368 CD PRO A 747 5.232 5.832 1.145 1.00 1.00 C ATOM 0 HA PRO A 747 4.484 7.099 4.023 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.385 8.984 2.198 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.488 7.758 2.790 1.00 1.00 H new ATOM 0 HG2 PRO A 747 4.906 7.759 0.172 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.598 7.370 0.412 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.698 5.393 0.302 1.00 1.00 H new ATOM 0 HD3 PRO A 747 6.122 5.224 1.310 1.00 1.00 H new ATOM 376 N PRO A 748 2.907 9.045 3.655 1.00 1.00 N ATOM 377 CA PRO A 748 1.786 9.986 3.606 1.00 1.00 C ATOM 378 C PRO A 748 1.822 10.877 2.364 1.00 1.00 C ATOM 379 O PRO A 748 0.790 11.443 1.996 1.00 1.00 O ATOM 380 CB PRO A 748 1.875 10.842 4.863 1.00 1.00 C ATOM 381 CG PRO A 748 3.360 10.791 5.214 1.00 1.00 C ATOM 382 CD PRO A 748 3.790 9.402 4.759 1.00 1.00 C ATOM 0 HA PRO A 748 0.849 9.431 3.555 1.00 1.00 H new ATOM 0 HB2 PRO A 748 1.539 11.863 4.680 1.00 1.00 H new ATOM 0 HB3 PRO A 748 1.257 10.442 5.667 1.00 1.00 H new ATOM 0 HG2 PRO A 748 3.920 11.572 4.700 1.00 1.00 H new ATOM 0 HG3 PRO A 748 3.524 10.931 6.282 1.00 1.00 H new ATOM 0 HD2 PRO A 748 4.832 9.402 4.440 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.706 8.682 5.573 1.00 1.00 H new ATOM 390 N SER A 749 3.006 11.061 1.767 1.00 1.00 N ATOM 391 CA SER A 749 3.261 11.880 0.587 1.00 1.00 C ATOM 392 C SER A 749 2.298 11.575 -0.567 1.00 1.00 C ATOM 393 O SER A 749 2.156 12.383 -1.486 1.00 1.00 O ATOM 394 CB SER A 749 4.715 11.673 0.149 1.00 1.00 C ATOM 395 OG SER A 749 5.593 11.628 1.266 1.00 1.00 O ATOM 0 H SER A 749 3.854 10.616 2.117 1.00 1.00 H new ATOM 0 HA SER A 749 3.091 12.923 0.854 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.797 10.745 -0.418 1.00 1.00 H new ATOM 0 HB3 SER A 749 5.014 12.481 -0.518 1.00 1.00 H new ATOM 0 HG SER A 749 6.512 11.493 0.954 1.00 1.00 H new ATOM 401 N LEU A 750 1.661 10.398 -0.569 1.00 1.00 N ATOM 402 CA LEU A 750 0.644 10.063 -1.539 1.00 1.00 C ATOM 403 C LEU A 750 -0.528 10.955 -1.149 1.00 1.00 C ATOM 404 O LEU A 750 -1.151 10.742 -0.108 1.00 1.00 O ATOM 405 CB LEU A 750 0.358 8.558 -1.431 1.00 1.00 C ATOM 406 CG LEU A 750 1.391 7.627 -2.111 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.476 8.347 -2.917 1.00 1.00 C ATOM 408 CD2 LEU A 750 2.084 6.703 -1.115 1.00 1.00 C ATOM 0 H LEU A 750 1.846 9.658 0.109 1.00 1.00 H new ATOM 0 HA LEU A 750 0.907 10.233 -2.583 1.00 1.00 H new ATOM 0 HB2 LEU A 750 0.298 8.293 -0.375 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -0.622 8.361 -1.865 1.00 1.00 H new ATOM 0 HG LEU A 750 0.781 7.053 -2.808 1.00 1.00 H new ATOM 0 HD11 LEU A 750 3.152 7.612 -3.355 1.00 1.00 H new ATOM 0 HD12 LEU A 750 2.012 8.932 -3.711 1.00 1.00 H new ATOM 0 HD13 LEU A 750 3.038 9.010 -2.259 1.00 1.00 H new ATOM 0 HD21 LEU A 750 2.799 6.071 -1.642 1.00 1.00 H new ATOM 0 HD22 LEU A 750 2.609 7.300 -0.369 1.00 1.00 H new ATOM 0 HD23 LEU A 750 1.341 6.077 -0.621 1.00 1.00 H new ATOM 420 N ASN A 751 -0.852 11.907 -2.026 1.00 1.00 N ATOM 421 CA ASN A 751 -1.860 12.934 -1.765 1.00 1.00 C ATOM 422 C ASN A 751 -3.265 12.376 -1.620 1.00 1.00 C ATOM 423 O ASN A 751 -3.846 12.411 -0.532 1.00 1.00 O ATOM 424 CB ASN A 751 -1.824 14.059 -2.804 1.00 1.00 C ATOM 425 CG ASN A 751 -0.561 14.901 -2.800 1.00 1.00 C ATOM 426 OD1 ASN A 751 0.099 15.004 -3.830 1.00 1.00 O ATOM 427 ND2 ASN A 751 -0.228 15.552 -1.704 1.00 1.00 N ATOM 0 H ASN A 751 -0.418 11.987 -2.945 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.590 13.360 -0.798 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -1.947 13.621 -3.795 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.679 14.714 -2.637 1.00 1.00 H new ATOM 0 HD21 ASN A 751 0.593 16.157 -1.700 1.00 1.00 H new ATOM 0 HD22 ASN A 751 -0.791 15.451 -0.860 1.00 1.00 H new ATOM 434 N SER A 752 -3.850 11.918 -2.724 1.00 1.00 N ATOM 435 CA SER A 752 -5.147 11.263 -2.728 1.00 1.00 C ATOM 436 C SER A 752 -5.131 10.198 -3.816 1.00 1.00 C ATOM 437 O SER A 752 -5.051 9.029 -3.461 1.00 1.00 O ATOM 438 CB SER A 752 -6.272 12.294 -2.873 1.00 1.00 C ATOM 439 OG SER A 752 -6.300 13.138 -1.732 1.00 1.00 O ATOM 0 H SER A 752 -3.428 11.994 -3.650 1.00 1.00 H new ATOM 0 HA SER A 752 -5.346 10.764 -1.779 1.00 1.00 H new ATOM 0 HB2 SER A 752 -6.119 12.889 -3.773 1.00 1.00 H new ATOM 0 HB3 SER A 752 -7.230 11.787 -2.985 1.00 1.00 H new ATOM 0 HG SER A 752 -5.568 12.895 -1.128 1.00 1.00 H new ATOM 445 N HIS A 753 -5.044 10.550 -5.104 1.00 1.00 N ATOM 446 CA HIS A 753 -5.068 9.562 -6.186 1.00 1.00 C ATOM 447 C HIS A 753 -3.956 8.516 -6.093 1.00 1.00 C ATOM 448 O HIS A 753 -4.187 7.366 -6.475 1.00 1.00 O ATOM 449 CB HIS A 753 -5.034 10.236 -7.560 1.00 1.00 C ATOM 450 CG HIS A 753 -6.338 10.892 -7.922 1.00 1.00 C ATOM 451 ND1 HIS A 753 -6.500 12.187 -8.356 1.00 1.00 N ATOM 452 CD2 HIS A 753 -7.573 10.302 -7.897 1.00 1.00 C ATOM 453 CE1 HIS A 753 -7.804 12.378 -8.601 1.00 1.00 C ATOM 454 NE2 HIS A 753 -8.497 11.268 -8.298 1.00 1.00 N ATOM 0 H HIS A 753 -4.956 11.515 -5.422 1.00 1.00 H new ATOM 0 HA HIS A 753 -6.012 9.031 -6.065 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -4.241 10.984 -7.573 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -4.784 9.493 -8.318 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -7.791 9.281 -7.619 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -8.234 13.291 -8.986 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -9.509 11.153 -8.351 1.00 1.00 H new ATOM 462 N ASP A 754 -2.760 8.865 -5.604 1.00 1.00 N ATOM 463 CA ASP A 754 -1.694 7.907 -5.430 1.00 1.00 C ATOM 464 C ASP A 754 -2.129 6.880 -4.382 1.00 1.00 C ATOM 465 O ASP A 754 -2.106 5.679 -4.628 1.00 1.00 O ATOM 466 CB ASP A 754 -0.446 8.633 -4.926 1.00 1.00 C ATOM 467 CG ASP A 754 0.048 9.845 -5.697 1.00 1.00 C ATOM 468 OD1 ASP A 754 0.252 9.800 -6.932 1.00 1.00 O ATOM 469 OD2 ASP A 754 0.196 10.896 -5.029 1.00 1.00 O ATOM 0 H ASP A 754 -2.518 9.815 -5.324 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.475 7.412 -6.376 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.637 8.948 -3.900 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.368 7.908 -4.891 1.00 1.00 H new ATOM 474 N ARG A 755 -2.558 7.366 -3.212 1.00 1.00 N ATOM 475 CA ARG A 755 -2.922 6.570 -2.047 1.00 1.00 C ATOM 476 C ARG A 755 -4.132 5.709 -2.363 1.00 1.00 C ATOM 477 O ARG A 755 -4.128 4.515 -2.086 1.00 1.00 O ATOM 478 CB ARG A 755 -3.226 7.506 -0.872 1.00 1.00 C ATOM 479 CG ARG A 755 -3.503 6.680 0.386 1.00 1.00 C ATOM 480 CD ARG A 755 -3.896 7.537 1.584 1.00 1.00 C ATOM 481 NE ARG A 755 -2.967 8.661 1.789 1.00 1.00 N ATOM 482 CZ ARG A 755 -3.259 9.762 2.479 1.00 1.00 C ATOM 483 NH1 ARG A 755 -4.367 9.809 3.207 1.00 1.00 N ATOM 484 NH2 ARG A 755 -2.435 10.800 2.412 1.00 1.00 N ATOM 0 H ARG A 755 -2.664 8.367 -3.050 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.093 5.914 -1.779 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.384 8.176 -0.701 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -4.088 8.131 -1.106 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -4.301 5.967 0.178 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -2.615 6.100 0.636 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -4.905 7.923 1.438 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -3.919 6.918 2.481 1.00 1.00 H new ATOM 0 HE ARG A 755 -2.038 8.592 1.375 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -4.992 9.004 3.237 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -4.594 10.651 3.737 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -1.593 10.747 1.838 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -2.643 11.651 2.934 1.00 1.00 H new ATOM 498 N LEU A 756 -5.173 6.329 -2.907 1.00 1.00 N ATOM 499 CA LEU A 756 -6.386 5.694 -3.379 1.00 1.00 C ATOM 500 C LEU A 756 -5.993 4.511 -4.249 1.00 1.00 C ATOM 501 O LEU A 756 -6.460 3.402 -3.998 1.00 1.00 O ATOM 502 CB LEU A 756 -7.218 6.710 -4.141 1.00 1.00 C ATOM 503 CG LEU A 756 -8.448 6.107 -4.851 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.616 5.997 -3.873 1.00 1.00 C ATOM 505 CD2 LEU A 756 -8.843 6.925 -6.082 1.00 1.00 C ATOM 0 H LEU A 756 -5.189 7.341 -3.035 1.00 1.00 H new ATOM 0 HA LEU A 756 -6.993 5.329 -2.550 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.553 7.482 -3.449 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.586 7.199 -4.883 1.00 1.00 H new ATOM 0 HG LEU A 756 -8.184 5.108 -5.197 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.479 5.570 -4.384 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -9.333 5.354 -3.039 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.870 6.988 -3.497 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -9.713 6.471 -6.557 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -9.085 7.944 -5.779 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -8.013 6.944 -6.788 1.00 1.00 H new ATOM 517 N ARG A 757 -5.118 4.729 -5.241 1.00 1.00 N ATOM 518 CA ARG A 757 -4.711 3.635 -6.098 1.00 1.00 C ATOM 519 C ARG A 757 -3.959 2.585 -5.298 1.00 1.00 C ATOM 520 O ARG A 757 -4.289 1.420 -5.434 1.00 1.00 O ATOM 521 CB ARG A 757 -3.976 4.134 -7.336 1.00 1.00 C ATOM 522 CG ARG A 757 -3.829 3.055 -8.424 1.00 1.00 C ATOM 523 CD ARG A 757 -5.138 2.501 -9.016 1.00 1.00 C ATOM 524 NE ARG A 757 -4.958 1.122 -9.503 1.00 1.00 N ATOM 525 CZ ARG A 757 -5.912 0.190 -9.608 1.00 1.00 C ATOM 526 NH1 ARG A 757 -7.196 0.498 -9.471 1.00 1.00 N ATOM 527 NH2 ARG A 757 -5.569 -1.065 -9.864 1.00 1.00 N ATOM 0 H ARG A 757 -4.695 5.632 -5.457 1.00 1.00 H new ATOM 0 HA ARG A 757 -5.598 3.136 -6.488 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -4.511 4.989 -7.750 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.986 4.487 -7.046 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -3.233 3.469 -9.238 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -3.263 2.222 -8.006 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -5.921 2.523 -8.258 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -5.469 3.139 -9.835 1.00 1.00 H new ATOM 0 HE ARG A 757 -4.016 0.852 -9.787 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -7.472 1.462 -9.282 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -7.907 -0.229 -9.555 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -4.586 -1.312 -9.979 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -6.288 -1.784 -9.946 1.00 1.00 H new ATOM 541 N VAL A 758 -2.993 2.951 -4.462 1.00 1.00 N ATOM 542 CA VAL A 758 -2.298 2.006 -3.574 1.00 1.00 C ATOM 543 C VAL A 758 -3.305 1.110 -2.820 1.00 1.00 C ATOM 544 O VAL A 758 -3.155 -0.115 -2.844 1.00 1.00 O ATOM 545 CB VAL A 758 -1.317 2.781 -2.660 1.00 1.00 C ATOM 546 CG1 VAL A 758 -0.729 1.966 -1.499 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.126 3.299 -3.486 1.00 1.00 C ATOM 0 H VAL A 758 -2.664 3.913 -4.376 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.693 1.313 -4.159 1.00 1.00 H new ATOM 0 HB VAL A 758 -1.920 3.582 -2.233 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.055 2.595 -0.917 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.536 1.610 -0.859 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.178 1.113 -1.896 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.559 3.843 -2.835 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.396 2.456 -3.939 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.489 3.965 -4.269 1.00 1.00 H new ATOM 557 N HIS A 759 -4.349 1.684 -2.206 1.00 1.00 N ATOM 558 CA HIS A 759 -5.417 0.929 -1.550 1.00 1.00 C ATOM 559 C HIS A 759 -6.120 -0.004 -2.544 1.00 1.00 C ATOM 560 O HIS A 759 -6.375 -1.161 -2.228 1.00 1.00 O ATOM 561 CB HIS A 759 -6.480 1.868 -0.962 1.00 1.00 C ATOM 562 CG HIS A 759 -6.116 2.661 0.265 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.042 2.195 1.560 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.031 4.023 0.317 1.00 1.00 C ATOM 565 CE1 HIS A 759 -5.873 3.258 2.365 1.00 1.00 C ATOM 566 NE2 HIS A 759 -5.875 4.396 1.652 1.00 1.00 N ATOM 0 H HIS A 759 -4.474 2.695 -2.152 1.00 1.00 H new ATOM 0 HA HIS A 759 -4.948 0.350 -0.755 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -6.772 2.572 -1.741 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.360 1.271 -0.725 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.077 4.694 -0.528 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -5.752 3.204 3.437 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -5.781 5.345 2.015 1.00 1.00 H new ATOM 574 N GLN A 760 -6.489 0.503 -3.720 1.00 1.00 N ATOM 575 CA GLN A 760 -7.181 -0.236 -4.763 1.00 1.00 C ATOM 576 C GLN A 760 -6.344 -1.418 -5.255 1.00 1.00 C ATOM 577 O GLN A 760 -6.891 -2.507 -5.336 1.00 1.00 O ATOM 578 CB GLN A 760 -7.559 0.716 -5.898 1.00 1.00 C ATOM 579 CG GLN A 760 -8.708 1.652 -5.495 1.00 1.00 C ATOM 580 CD GLN A 760 -8.906 2.803 -6.478 1.00 1.00 C ATOM 581 OE1 GLN A 760 -7.996 3.202 -7.196 1.00 1.00 O ATOM 582 NE2 GLN A 760 -10.082 3.403 -6.501 1.00 1.00 N ATOM 0 H GLN A 760 -6.306 1.473 -3.977 1.00 1.00 H new ATOM 0 HA GLN A 760 -8.098 -0.660 -4.354 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.689 1.309 -6.181 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.851 0.139 -6.775 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.631 1.077 -5.425 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.509 2.058 -4.503 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.837 3.068 -5.902 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -10.235 4.201 -7.117 1.00 1.00 H new ATOM 591 N ILE A 761 -5.060 -1.252 -5.591 1.00 1.00 N ATOM 592 CA ILE A 761 -4.136 -2.320 -5.961 1.00 1.00 C ATOM 593 C ILE A 761 -4.107 -3.358 -4.833 1.00 1.00 C ATOM 594 O ILE A 761 -4.192 -4.555 -5.092 1.00 1.00 O ATOM 595 CB ILE A 761 -2.749 -1.698 -6.256 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.842 -0.675 -7.404 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.719 -2.786 -6.604 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.514 -0.011 -7.796 1.00 1.00 C ATOM 0 H ILE A 761 -4.622 -0.331 -5.612 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.455 -2.837 -6.866 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.418 -1.184 -5.354 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -3.254 -1.174 -8.281 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.549 0.104 -7.119 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.754 -2.322 -6.807 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.621 -3.476 -5.766 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -2.051 -3.333 -7.487 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.685 0.691 -8.612 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.106 0.522 -6.937 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.806 -0.775 -8.118 1.00 1.00 H new ATOM 610 N ALA A 762 -4.018 -2.926 -3.573 1.00 1.00 N ATOM 611 CA ALA A 762 -4.055 -3.844 -2.446 1.00 1.00 C ATOM 612 C ALA A 762 -5.364 -4.643 -2.384 1.00 1.00 C ATOM 613 O ALA A 762 -5.326 -5.845 -2.115 1.00 1.00 O ATOM 614 CB ALA A 762 -3.762 -3.051 -1.168 1.00 1.00 C ATOM 0 H ALA A 762 -3.920 -1.944 -3.313 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.284 -4.605 -2.566 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -3.785 -3.723 -0.310 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.776 -2.592 -1.243 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.516 -2.274 -1.041 1.00 1.00 H new ATOM 620 N GLU A 763 -6.496 -3.997 -2.658 1.00 1.00 N ATOM 621 CA GLU A 763 -7.816 -4.616 -2.675 1.00 1.00 C ATOM 622 C GLU A 763 -7.988 -5.553 -3.882 1.00 1.00 C ATOM 623 O GLU A 763 -8.638 -6.592 -3.782 1.00 1.00 O ATOM 624 CB GLU A 763 -8.872 -3.497 -2.703 1.00 1.00 C ATOM 625 CG GLU A 763 -10.242 -3.990 -2.242 1.00 1.00 C ATOM 626 CD GLU A 763 -11.301 -2.889 -2.302 1.00 1.00 C ATOM 627 OE1 GLU A 763 -11.224 -1.885 -1.553 1.00 1.00 O ATOM 628 OE2 GLU A 763 -12.230 -3.010 -3.135 1.00 1.00 O ATOM 0 H GLU A 763 -6.519 -3.002 -2.880 1.00 1.00 H new ATOM 0 HA GLU A 763 -7.937 -5.228 -1.781 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.548 -2.677 -2.063 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -8.952 -3.099 -3.715 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.554 -4.827 -2.867 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.167 -4.365 -1.221 1.00 1.00 H new ATOM 635 N GLU A 764 -7.394 -5.203 -5.023 1.00 1.00 N ATOM 636 CA GLU A 764 -7.343 -5.937 -6.270 1.00 1.00 C ATOM 637 C GLU A 764 -6.478 -7.192 -6.107 1.00 1.00 C ATOM 638 O GLU A 764 -6.723 -8.199 -6.773 1.00 1.00 O ATOM 639 CB GLU A 764 -6.772 -4.932 -7.280 1.00 1.00 C ATOM 640 CG GLU A 764 -6.691 -5.416 -8.710 1.00 1.00 C ATOM 641 CD GLU A 764 -6.234 -4.279 -9.630 1.00 1.00 C ATOM 642 OE1 GLU A 764 -7.043 -3.385 -9.973 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.063 -4.247 -10.070 1.00 1.00 O ATOM 0 H GLU A 764 -6.894 -4.317 -5.095 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.313 -6.306 -6.603 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -7.385 -4.031 -7.255 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.772 -4.646 -6.955 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -5.995 -6.252 -8.780 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -7.665 -5.785 -9.032 1.00 1.00 H new ATOM 650 N HIS A 765 -5.492 -7.140 -5.209 1.00 1.00 N ATOM 651 CA HIS A 765 -4.620 -8.215 -4.799 1.00 1.00 C ATOM 652 C HIS A 765 -5.255 -8.899 -3.578 1.00 1.00 C ATOM 653 O HIS A 765 -6.478 -8.995 -3.468 1.00 1.00 O ATOM 654 CB HIS A 765 -3.222 -7.645 -4.550 1.00 1.00 C ATOM 655 CG HIS A 765 -2.502 -7.255 -5.811 1.00 1.00 C ATOM 656 ND1 HIS A 765 -2.456 -7.958 -6.991 1.00 1.00 N ATOM 657 CD2 HIS A 765 -1.721 -6.152 -5.959 1.00 1.00 C ATOM 658 CE1 HIS A 765 -1.637 -7.295 -7.820 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.166 -6.173 -7.243 1.00 1.00 N ATOM 0 H HIS A 765 -5.275 -6.272 -4.718 1.00 1.00 H new ATOM 0 HA HIS A 765 -4.502 -8.981 -5.566 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.304 -6.772 -3.903 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.627 -8.384 -4.014 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.557 -5.389 -5.212 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -1.388 -7.618 -8.820 1.00 1.00 H new ATOM 0 HE2 HIS A 765 -0.537 -5.484 -7.655 1.00 1.00 H new ATOM 667 N GLY A 766 -4.436 -9.428 -2.675 1.00 1.00 N ATOM 668 CA GLY A 766 -4.790 -10.128 -1.466 1.00 1.00 C ATOM 669 C GLY A 766 -4.159 -9.457 -0.253 1.00 1.00 C ATOM 670 O GLY A 766 -3.393 -10.099 0.479 1.00 1.00 O ATOM 0 H GLY A 766 -3.424 -9.368 -2.789 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -5.874 -10.147 -1.355 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -4.458 -11.164 -1.529 1.00 1.00 H new ATOM 674 N LEU A 767 -4.417 -8.153 -0.068 1.00 1.00 N ATOM 675 CA LEU A 767 -3.800 -7.383 0.999 1.00 1.00 C ATOM 676 C LEU A 767 -4.829 -6.710 1.903 1.00 1.00 C ATOM 677 O LEU A 767 -5.925 -6.357 1.470 1.00 1.00 O ATOM 678 CB LEU A 767 -2.935 -6.260 0.405 1.00 1.00 C ATOM 679 CG LEU A 767 -1.830 -6.641 -0.586 1.00 1.00 C ATOM 680 CD1 LEU A 767 -0.972 -5.434 -0.954 1.00 1.00 C ATOM 681 CD2 LEU A 767 -0.871 -7.661 0.007 1.00 1.00 C ATOM 0 H LEU A 767 -5.055 -7.615 -0.654 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.209 -8.090 1.581 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.601 -5.556 -0.094 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.469 -5.726 1.233 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.347 -7.045 -1.457 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.198 -5.739 -1.658 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.598 -4.668 -1.412 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.506 -5.031 -0.055 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.102 -7.906 -0.725 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.403 -7.245 0.899 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.420 -8.565 0.273 1.00 1.00 H new ATOM 693 N ARG A 768 -4.452 -6.488 3.163 1.00 1.00 N ATOM 694 CA ARG A 768 -5.226 -5.752 4.155 1.00 1.00 C ATOM 695 C ARG A 768 -4.662 -4.341 4.070 1.00 1.00 C ATOM 696 O ARG A 768 -3.469 -4.181 4.322 1.00 1.00 O ATOM 697 CB ARG A 768 -5.053 -6.352 5.560 1.00 1.00 C ATOM 698 CG ARG A 768 -5.955 -5.633 6.574 1.00 1.00 C ATOM 699 CD ARG A 768 -5.788 -6.165 8.002 1.00 1.00 C ATOM 700 NE ARG A 768 -4.694 -5.495 8.736 1.00 1.00 N ATOM 701 CZ ARG A 768 -4.561 -5.488 10.069 1.00 1.00 C ATOM 702 NH1 ARG A 768 -5.406 -6.175 10.828 1.00 1.00 N ATOM 703 NH2 ARG A 768 -3.585 -4.803 10.649 1.00 1.00 N ATOM 0 H ARG A 768 -3.565 -6.830 3.531 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.299 -5.786 3.967 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.296 -7.414 5.539 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -4.011 -6.269 5.870 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.731 -4.566 6.560 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -6.996 -5.744 6.270 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -6.722 -6.030 8.547 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -5.593 -7.237 7.966 1.00 1.00 H new ATOM 0 HE ARG A 768 -3.989 -5.002 8.188 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -6.159 -6.710 10.397 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -5.302 -6.168 11.843 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -2.925 -4.274 10.079 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -3.494 -4.805 11.665 1.00 1.00 H new ATOM 717 N HIS A 769 -5.446 -3.354 3.653 1.00 1.00 N ATOM 718 CA HIS A 769 -4.997 -1.982 3.427 1.00 1.00 C ATOM 719 C HIS A 769 -5.597 -1.081 4.506 1.00 1.00 C ATOM 720 O HIS A 769 -6.788 -1.187 4.819 1.00 1.00 O ATOM 721 CB HIS A 769 -5.420 -1.541 2.006 1.00 1.00 C ATOM 722 CG HIS A 769 -6.802 -1.958 1.550 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.970 -1.245 1.699 1.00 1.00 N ATOM 724 CD2 HIS A 769 -7.116 -3.126 0.902 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.969 -1.968 1.168 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.501 -3.139 0.707 1.00 1.00 N ATOM 0 H HIS A 769 -6.438 -3.487 3.457 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.911 -1.910 3.492 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.358 -0.454 1.954 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.693 -1.936 1.296 1.00 1.00 H new ATOM 0 HD1 HIS A 769 -8.061 -0.328 2.136 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.421 -3.895 0.598 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -10.001 -1.653 1.119 1.00 1.00 H new ATOM 734 N ASP A 770 -4.796 -0.194 5.096 1.00 1.00 N ATOM 735 CA ASP A 770 -5.241 0.687 6.178 1.00 1.00 C ATOM 736 C ASP A 770 -4.313 1.890 6.354 1.00 1.00 C ATOM 737 O ASP A 770 -3.226 1.929 5.781 1.00 1.00 O ATOM 738 CB ASP A 770 -5.264 -0.128 7.488 1.00 1.00 C ATOM 739 CG ASP A 770 -5.988 0.578 8.633 1.00 1.00 C ATOM 740 OD1 ASP A 770 -6.979 1.298 8.359 1.00 1.00 O ATOM 741 OD2 ASP A 770 -5.606 0.355 9.806 1.00 1.00 O ATOM 0 H ASP A 770 -3.818 -0.065 4.837 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.232 1.067 5.929 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.746 -1.088 7.301 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.239 -0.340 7.793 1.00 1.00 H new ATOM 746 N SER A 771 -4.736 2.889 7.127 1.00 1.00 N ATOM 747 CA SER A 771 -3.907 4.034 7.479 1.00 1.00 C ATOM 748 C SER A 771 -3.269 3.689 8.824 1.00 1.00 C ATOM 749 O SER A 771 -3.822 2.907 9.605 1.00 1.00 O ATOM 750 CB SER A 771 -4.727 5.321 7.604 1.00 1.00 C ATOM 751 OG SER A 771 -5.629 5.479 6.524 1.00 1.00 O ATOM 0 H SER A 771 -5.673 2.924 7.529 1.00 1.00 H new ATOM 0 HA SER A 771 -3.165 4.219 6.702 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.282 5.308 8.542 1.00 1.00 H new ATOM 0 HB3 SER A 771 -4.054 6.178 7.644 1.00 1.00 H new ATOM 0 HG SER A 771 -6.135 6.310 6.640 1.00 1.00 H new ATOM 757 N SER A 772 -2.115 4.257 9.127 1.00 1.00 N ATOM 758 CA SER A 772 -1.367 3.995 10.348 1.00 1.00 C ATOM 759 C SER A 772 -0.671 5.278 10.776 1.00 1.00 C ATOM 760 O SER A 772 -0.637 6.242 10.017 1.00 1.00 O ATOM 761 CB SER A 772 -0.415 2.828 10.116 1.00 1.00 C ATOM 762 OG SER A 772 -1.159 1.691 9.709 1.00 1.00 O ATOM 0 H SER A 772 -1.658 4.932 8.514 1.00 1.00 H new ATOM 0 HA SER A 772 -2.023 3.698 11.166 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.319 3.089 9.354 1.00 1.00 H new ATOM 0 HB3 SER A 772 0.138 2.608 11.029 1.00 1.00 H new ATOM 0 HG SER A 772 -0.570 1.067 9.235 1.00 1.00 H new ATOM 768 N GLY A 773 -0.166 5.318 12.002 1.00 1.00 N ATOM 769 CA GLY A 773 0.420 6.503 12.596 1.00 1.00 C ATOM 770 C GLY A 773 -0.724 7.184 13.313 1.00 1.00 C ATOM 771 O GLY A 773 -1.820 7.368 12.775 1.00 1.00 O ATOM 0 H GLY A 773 -0.154 4.508 12.621 1.00 1.00 H new ATOM 0 HA2 GLY A 773 1.221 6.243 13.288 1.00 1.00 H new ATOM 0 HA3 GLY A 773 0.853 7.153 11.836 1.00 1.00 H new ATOM 775 N GLU A 774 -0.438 7.586 14.534 1.00 1.00 N ATOM 776 CA GLU A 774 -1.414 8.149 15.447 1.00 1.00 C ATOM 777 C GLU A 774 -1.396 9.675 15.481 1.00 1.00 C ATOM 778 O GLU A 774 -2.450 10.285 15.292 1.00 1.00 O ATOM 779 CB GLU A 774 -1.181 7.455 16.786 1.00 1.00 C ATOM 780 CG GLU A 774 -2.015 8.031 17.928 1.00 1.00 C ATOM 781 CD GLU A 774 -1.339 9.144 18.724 1.00 1.00 C ATOM 782 OE1 GLU A 774 -0.110 9.367 18.630 1.00 1.00 O ATOM 783 OE2 GLU A 774 -2.056 9.746 19.550 1.00 1.00 O ATOM 0 H GLU A 774 0.501 7.530 14.929 1.00 1.00 H new ATOM 0 HA GLU A 774 -2.435 7.958 15.118 1.00 1.00 H new ATOM 0 HB2 GLU A 774 -1.409 6.394 16.680 1.00 1.00 H new ATOM 0 HB3 GLU A 774 -0.125 7.530 17.045 1.00 1.00 H new ATOM 0 HG2 GLU A 774 -2.949 8.414 17.518 1.00 1.00 H new ATOM 0 HG3 GLU A 774 -2.275 7.223 18.611 1.00 1.00 H new ATOM 790 N GLY A 775 -0.239 10.305 15.676 1.00 1.00 N ATOM 791 CA GLY A 775 -0.120 11.758 15.672 1.00 1.00 C ATOM 792 C GLY A 775 -0.208 12.320 14.259 1.00 1.00 C ATOM 793 O GLY A 775 -0.634 11.645 13.315 1.00 1.00 O ATOM 0 H GLY A 775 0.643 9.820 15.841 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -0.909 12.191 16.287 1.00 1.00 H new ATOM 0 HA3 GLY A 775 0.830 12.048 16.122 1.00 1.00 H new ATOM 797 N LYS A 776 0.253 13.558 14.073 1.00 1.00 N ATOM 798 CA LYS A 776 0.333 14.224 12.765 1.00 1.00 C ATOM 799 C LYS A 776 1.380 13.599 11.820 1.00 1.00 C ATOM 800 O LYS A 776 1.850 14.258 10.889 1.00 1.00 O ATOM 801 CB LYS A 776 0.499 15.744 12.946 1.00 1.00 C ATOM 802 CG LYS A 776 -0.693 16.354 13.714 1.00 1.00 C ATOM 803 CD LYS A 776 -0.817 17.877 13.562 1.00 1.00 C ATOM 804 CE LYS A 776 -1.249 18.254 12.139 1.00 1.00 C ATOM 805 NZ LYS A 776 -1.440 19.704 11.965 1.00 1.00 N ATOM 0 H LYS A 776 0.589 14.140 14.840 1.00 1.00 H new ATOM 0 HA LYS A 776 -0.615 14.057 12.254 1.00 1.00 H new ATOM 0 HB2 LYS A 776 1.424 15.949 13.485 1.00 1.00 H new ATOM 0 HB3 LYS A 776 0.587 16.221 11.970 1.00 1.00 H new ATOM 0 HG2 LYS A 776 -1.614 15.888 13.365 1.00 1.00 H new ATOM 0 HG3 LYS A 776 -0.594 16.111 14.772 1.00 1.00 H new ATOM 0 HD2 LYS A 776 -1.543 18.260 14.280 1.00 1.00 H new ATOM 0 HD3 LYS A 776 0.138 18.348 13.793 1.00 1.00 H new ATOM 0 HE2 LYS A 776 -0.497 17.904 11.431 1.00 1.00 H new ATOM 0 HE3 LYS A 776 -2.179 17.738 11.898 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 -1.731 19.901 10.986 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 -2.176 20.038 12.619 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 -0.548 20.198 12.167 1.00 1.00 H new ATOM 818 N ARG A 777 1.732 12.327 12.016 1.00 1.00 N ATOM 819 CA ARG A 777 2.607 11.503 11.199 1.00 1.00 C ATOM 820 C ARG A 777 1.809 10.291 10.716 1.00 1.00 C ATOM 821 O ARG A 777 2.185 9.149 10.983 1.00 1.00 O ATOM 822 CB ARG A 777 3.837 11.048 11.985 1.00 1.00 C ATOM 823 CG ARG A 777 4.763 12.144 12.514 1.00 1.00 C ATOM 824 CD ARG A 777 6.086 11.523 13.001 1.00 1.00 C ATOM 825 NE ARG A 777 5.890 10.630 14.161 1.00 1.00 N ATOM 826 CZ ARG A 777 5.601 9.319 14.135 1.00 1.00 C ATOM 827 NH1 ARG A 777 5.699 8.608 13.014 1.00 1.00 N ATOM 828 NH2 ARG A 777 5.164 8.719 15.234 1.00 1.00 N ATOM 0 H ARG A 777 1.379 11.809 12.820 1.00 1.00 H new ATOM 0 HA ARG A 777 2.963 12.087 10.350 1.00 1.00 H new ATOM 0 HB2 ARG A 777 3.497 10.452 12.832 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.423 10.388 11.346 1.00 1.00 H new ATOM 0 HG2 ARG A 777 4.961 12.875 11.730 1.00 1.00 H new ATOM 0 HG3 ARG A 777 4.279 12.678 13.332 1.00 1.00 H new ATOM 0 HD2 ARG A 777 6.544 10.962 12.186 1.00 1.00 H new ATOM 0 HD3 ARG A 777 6.781 12.318 13.270 1.00 1.00 H new ATOM 0 HE ARG A 777 5.985 11.056 15.083 1.00 1.00 H new ATOM 0 HH11 ARG A 777 5.999 9.058 12.149 1.00 1.00 H new ATOM 0 HH12 ARG A 777 5.474 7.613 13.020 1.00 1.00 H new ATOM 0 HH21 ARG A 777 5.048 9.253 16.095 1.00 1.00 H new ATOM 0 HH22 ARG A 777 4.943 7.723 15.218 1.00 1.00 H new ATOM 842 N ARG A 778 0.651 10.504 10.087 1.00 1.00 N ATOM 843 CA ARG A 778 -0.087 9.382 9.510 1.00 1.00 C ATOM 844 C ARG A 778 0.734 8.834 8.331 1.00 1.00 C ATOM 845 O ARG A 778 1.660 9.487 7.849 1.00 1.00 O ATOM 846 CB ARG A 778 -1.519 9.825 9.154 1.00 1.00 C ATOM 847 CG ARG A 778 -2.411 8.696 8.608 1.00 1.00 C ATOM 848 CD ARG A 778 -3.874 9.125 8.507 1.00 1.00 C ATOM 849 NE ARG A 778 -4.577 9.030 9.799 1.00 1.00 N ATOM 850 CZ ARG A 778 -5.586 9.814 10.201 1.00 1.00 C ATOM 851 NH1 ARG A 778 -6.098 10.734 9.392 1.00 1.00 N ATOM 852 NH2 ARG A 778 -6.091 9.666 11.417 1.00 1.00 N ATOM 0 H ARG A 778 0.214 11.418 9.967 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.215 8.563 10.217 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.989 10.246 10.043 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -1.467 10.622 8.413 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -2.052 8.394 7.624 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.332 7.824 9.258 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -3.925 10.151 8.143 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -4.383 8.501 7.773 1.00 1.00 H new ATOM 0 HE ARG A 778 -4.268 8.303 10.444 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -5.723 10.851 8.451 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -6.866 11.324 9.712 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -5.711 8.957 12.044 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -6.859 10.261 11.726 1.00 1.00 H new ATOM 866 N PHE A 779 0.452 7.613 7.894 1.00 1.00 N ATOM 867 CA PHE A 779 1.022 6.934 6.741 1.00 1.00 C ATOM 868 C PHE A 779 0.018 5.858 6.283 1.00 1.00 C ATOM 869 O PHE A 779 -1.064 5.730 6.867 1.00 1.00 O ATOM 870 CB PHE A 779 2.420 6.386 7.088 1.00 1.00 C ATOM 871 CG PHE A 779 2.522 5.427 8.262 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.590 5.920 9.581 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.630 4.042 8.037 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.747 5.040 10.664 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.806 3.168 9.123 1.00 1.00 C ATOM 876 CZ PHE A 779 2.863 3.660 10.436 1.00 1.00 C ATOM 0 H PHE A 779 -0.233 7.029 8.374 1.00 1.00 H new ATOM 0 HA PHE A 779 1.180 7.615 5.905 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.813 5.881 6.205 1.00 1.00 H new ATOM 0 HB3 PHE A 779 3.075 7.234 7.288 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.521 6.983 9.760 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.578 3.652 7.031 1.00 1.00 H new ATOM 0 HE1 PHE A 779 2.778 5.425 11.672 1.00 1.00 H new ATOM 0 HE2 PHE A 779 2.898 2.107 8.945 1.00 1.00 H new ATOM 0 HZ PHE A 779 2.995 2.981 11.266 1.00 1.00 H new ATOM 886 N ILE A 780 0.348 5.107 5.232 1.00 1.00 N ATOM 887 CA ILE A 780 -0.407 3.968 4.703 1.00 1.00 C ATOM 888 C ILE A 780 0.315 2.664 5.012 1.00 1.00 C ATOM 889 O ILE A 780 1.529 2.580 4.880 1.00 1.00 O ATOM 890 CB ILE A 780 -0.855 4.191 3.231 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.385 2.914 2.519 1.00 1.00 C ATOM 892 CG2 ILE A 780 0.076 5.045 2.351 1.00 1.00 C ATOM 893 CD1 ILE A 780 -2.458 3.202 1.466 1.00 1.00 C ATOM 0 H ILE A 780 1.197 5.286 4.696 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.361 3.881 5.223 1.00 1.00 H new ATOM 0 HB ILE A 780 -1.724 4.836 3.361 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -0.550 2.400 2.044 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -1.794 2.234 3.266 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.345 5.127 1.349 1.00 1.00 H new ATOM 0 HG22 ILE A 780 0.176 6.040 2.785 1.00 1.00 H new ATOM 0 HG23 ILE A 780 1.057 4.574 2.295 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -2.781 2.266 1.010 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.311 3.689 1.939 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -2.047 3.857 0.697 1.00 1.00 H new ATOM 905 N THR A 781 -0.434 1.650 5.422 1.00 1.00 N ATOM 906 CA THR A 781 0.042 0.307 5.666 1.00 1.00 C ATOM 907 C THR A 781 -0.773 -0.626 4.792 1.00 1.00 C ATOM 908 O THR A 781 -1.984 -0.468 4.620 1.00 1.00 O ATOM 909 CB THR A 781 -0.157 -0.066 7.142 1.00 1.00 C ATOM 910 OG1 THR A 781 0.656 0.742 7.961 1.00 1.00 O ATOM 911 CG2 THR A 781 0.174 -1.532 7.442 1.00 1.00 C ATOM 0 H THR A 781 -1.433 1.752 5.600 1.00 1.00 H new ATOM 0 HA THR A 781 1.105 0.232 5.436 1.00 1.00 H new ATOM 0 HB THR A 781 -1.214 0.095 7.353 1.00 1.00 H new ATOM 0 HG1 THR A 781 1.079 1.439 7.417 1.00 1.00 H new ATOM 0 HG21 THR A 781 0.013 -1.732 8.501 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.471 -2.180 6.848 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.216 -1.729 7.190 1.00 1.00 H new ATOM 919 N VAL A 782 -0.100 -1.622 4.248 1.00 1.00 N ATOM 920 CA VAL A 782 -0.696 -2.689 3.483 1.00 1.00 C ATOM 921 C VAL A 782 -0.014 -3.964 3.964 1.00 1.00 C ATOM 922 O VAL A 782 1.203 -3.989 4.147 1.00 1.00 O ATOM 923 CB VAL A 782 -0.655 -2.432 1.972 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.789 -1.517 1.508 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.604 -1.689 1.530 1.00 1.00 C ATOM 0 H VAL A 782 0.913 -1.709 4.332 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.769 -2.775 3.651 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.716 -3.432 1.544 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.717 -1.365 0.431 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.748 -1.977 1.746 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.712 -0.556 2.016 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.576 -1.536 0.451 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.652 -0.723 2.032 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.484 -2.277 1.791 1.00 1.00 H new ATOM 935 N SER A 783 -0.793 -5.016 4.185 1.00 1.00 N ATOM 936 CA SER A 783 -0.314 -6.269 4.761 1.00 1.00 C ATOM 937 C SER A 783 -0.714 -7.448 3.889 1.00 1.00 C ATOM 938 O SER A 783 -1.805 -7.455 3.332 1.00 1.00 O ATOM 939 CB SER A 783 -0.873 -6.430 6.176 1.00 1.00 C ATOM 940 OG SER A 783 -0.904 -5.207 6.891 1.00 1.00 O ATOM 0 H SER A 783 -1.789 -5.024 3.966 1.00 1.00 H new ATOM 0 HA SER A 783 0.775 -6.243 4.810 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.881 -6.840 6.120 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.266 -7.151 6.723 1.00 1.00 H new ATOM 0 HG SER A 783 -1.270 -5.361 7.787 1.00 1.00 H new ATOM 946 N LYS A 784 0.162 -8.437 3.758 1.00 1.00 N ATOM 947 CA LYS A 784 0.012 -9.611 2.902 1.00 1.00 C ATOM 948 C LYS A 784 -0.741 -10.765 3.494 1.00 1.00 C ATOM 949 O LYS A 784 -0.375 -11.205 4.590 1.00 1.00 O ATOM 950 CB LYS A 784 1.390 -10.172 2.523 1.00 1.00 C ATOM 951 CG LYS A 784 2.032 -9.431 1.354 1.00 1.00 C ATOM 952 CD LYS A 784 1.882 -10.133 -0.014 1.00 1.00 C ATOM 953 CE LYS A 784 1.021 -11.409 -0.146 1.00 1.00 C ATOM 954 NZ LYS A 784 1.051 -11.951 -1.522 1.00 1.00 N ATOM 0 H LYS A 784 1.043 -8.443 4.272 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.561 -9.230 2.057 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.050 -10.116 3.389 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.289 -11.227 2.267 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.593 -8.436 1.287 1.00 1.00 H new ATOM 0 HG3 LYS A 784 3.093 -9.297 1.564 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.479 -9.398 -0.711 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.885 -10.383 -0.360 1.00 1.00 H new ATOM 0 HE2 LYS A 784 1.383 -12.165 0.551 1.00 1.00 H new ATOM 0 HE3 LYS A 784 -0.008 -11.184 0.134 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 0.489 -12.825 -1.563 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 0.651 -11.251 -2.179 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 2.034 -12.158 -1.792 1.00 1.00 H new ATOM 967 N ARG A 785 -1.773 -11.252 2.800 1.00 1.00 N ATOM 968 CA ARG A 785 -2.413 -12.459 3.289 1.00 1.00 C ATOM 969 C ARG A 785 -1.399 -13.502 2.798 1.00 1.00 C ATOM 970 O ARG A 785 -1.229 -13.634 1.580 1.00 1.00 O ATOM 971 CB ARG A 785 -3.792 -12.638 2.624 1.00 1.00 C ATOM 972 CG ARG A 785 -4.864 -11.641 3.094 1.00 1.00 C ATOM 973 CD ARG A 785 -5.245 -11.937 4.544 1.00 1.00 C ATOM 974 NE ARG A 785 -6.425 -11.184 4.994 1.00 1.00 N ATOM 975 CZ ARG A 785 -7.368 -11.655 5.818 1.00 1.00 C ATOM 976 NH1 ARG A 785 -7.218 -12.826 6.431 1.00 1.00 N ATOM 977 NH2 ARG A 785 -8.451 -10.926 6.022 1.00 1.00 N ATOM 0 H ARG A 785 -2.161 -10.851 1.946 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.616 -12.495 4.359 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -3.675 -12.543 1.544 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.146 -13.650 2.819 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -4.488 -10.621 3.008 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -5.744 -11.711 2.455 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -5.439 -13.004 4.652 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -4.401 -11.699 5.191 1.00 1.00 H new ATOM 0 HE ARG A 785 -6.533 -10.229 4.652 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -6.375 -13.379 6.276 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -7.946 -13.171 7.056 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -8.555 -10.025 5.555 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -9.183 -11.264 6.646 1.00 1.00 H new ATOM 991 N ALA A 786 -0.682 -14.187 3.689 1.00 1.00 N ATOM 992 CA ALA A 786 0.266 -15.220 3.294 1.00 1.00 C ATOM 993 C ALA A 786 -0.521 -16.411 2.781 1.00 1.00 C ATOM 994 O ALA A 786 -0.118 -17.019 1.769 1.00 1.00 O ATOM 995 CB ALA A 786 1.149 -15.632 4.470 1.00 1.00 C ATOM 0 H ALA A 786 -0.743 -14.041 4.697 1.00 1.00 H new ATOM 0 HA ALA A 786 0.923 -14.836 2.513 1.00 1.00 H new ATOM 0 HB1 ALA A 786 1.847 -16.404 4.148 1.00 1.00 H new ATOM 0 HB2 ALA A 786 1.706 -14.766 4.828 1.00 1.00 H new ATOM 0 HB3 ALA A 786 0.525 -16.020 5.275 1.00 1.00 H new