USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 772 SER OG : rot 130:sc= 0.925 USER MOD Set 1.2: A 781 THR OG1 : rot -48:sc= 1.2 USER MOD Set 2.1: A 759 HIS : no HD1:sc= -1.96 K(o=-2.8,f=-5.2!) USER MOD Set 2.2: A 769 HIS : no HE2:sc= -0.868 K(o=-2.8,f=-3.9!) USER MOD Single : A 728 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 732 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 737 MET CE :methyl -160:sc= -0.237 (180deg=-0.774) USER MOD Single : A 739 SER OG : rot 130:sc= -0.51 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0614) USER MOD Single : A 742 MET CE :methyl 163:sc= -0.415 (180deg=-0.694) USER MOD Single : A 743 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.21) USER MOD Single : A 749 SER OG : rot 180:sc= 0.027 USER MOD Single : A 751 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 760 GLN : amide:sc= 0.0827 K(o=0.083,f=-5.6!) USER MOD Single : A 765 HIS : no HE2:sc= -0.0669 K(o=-0.067,f=-4.4!) 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+ 142:sc= 0.0742 (180deg=-2.49!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 725 -2.977 4.995 -13.008 1.00 1.00 N ATOM 2 CA GLY A 725 -2.393 4.137 -11.972 1.00 1.00 C ATOM 3 C GLY A 725 -0.884 4.202 -12.008 1.00 1.00 C ATOM 4 O GLY A 725 -0.271 3.581 -12.878 1.00 1.00 O ATOM 0 HA2 GLY A 725 -2.751 4.449 -10.991 1.00 1.00 H new ATOM 0 HA3 GLY A 725 -2.721 3.108 -12.119 1.00 1.00 H new ATOM 8 N VAL A 726 -0.279 4.899 -11.040 1.00 1.00 N ATOM 9 CA VAL A 726 1.169 5.046 -10.915 1.00 1.00 C ATOM 10 C VAL A 726 1.831 3.667 -10.964 1.00 1.00 C ATOM 11 O VAL A 726 1.589 2.812 -10.103 1.00 1.00 O ATOM 12 CB VAL A 726 1.520 5.831 -9.650 1.00 1.00 C ATOM 13 CG1 VAL A 726 3.035 5.961 -9.427 1.00 1.00 C ATOM 14 CG2 VAL A 726 0.908 7.238 -9.640 1.00 1.00 C ATOM 0 H VAL A 726 -0.796 5.386 -10.308 1.00 1.00 H new ATOM 0 HA VAL A 726 1.558 5.623 -11.754 1.00 1.00 H new ATOM 0 HB VAL A 726 1.090 5.244 -8.838 1.00 1.00 H new ATOM 0 HG11 VAL A 726 3.221 6.528 -8.515 1.00 1.00 H new ATOM 0 HG12 VAL A 726 3.476 4.968 -9.334 1.00 1.00 H new ATOM 0 HG13 VAL A 726 3.484 6.479 -10.274 1.00 1.00 H new ATOM 0 HG21 VAL A 726 1.189 7.750 -8.720 1.00 1.00 H new ATOM 0 HG22 VAL A 726 1.278 7.802 -10.497 1.00 1.00 H new ATOM 0 HG23 VAL A 726 -0.178 7.163 -9.696 1.00 1.00 H new ATOM 24 N ASP A 727 2.639 3.442 -12.001 1.00 1.00 N ATOM 25 CA ASP A 727 3.304 2.165 -12.231 1.00 1.00 C ATOM 26 C ASP A 727 4.323 1.858 -11.137 1.00 1.00 C ATOM 27 O ASP A 727 4.444 0.704 -10.737 1.00 1.00 O ATOM 28 CB ASP A 727 3.997 2.172 -13.592 1.00 1.00 C ATOM 29 CG ASP A 727 4.629 0.816 -13.872 1.00 1.00 C ATOM 30 OD1 ASP A 727 3.858 -0.138 -14.133 1.00 1.00 O ATOM 31 OD2 ASP A 727 5.869 0.684 -13.846 1.00 1.00 O ATOM 0 H ASP A 727 2.850 4.147 -12.707 1.00 1.00 H new ATOM 0 HA ASP A 727 2.541 1.386 -12.212 1.00 1.00 H new ATOM 0 HB2 ASP A 727 3.276 2.413 -14.373 1.00 1.00 H new ATOM 0 HB3 ASP A 727 4.762 2.948 -13.614 1.00 1.00 H new ATOM 36 N HIS A 728 5.008 2.886 -10.625 1.00 1.00 N ATOM 37 CA HIS A 728 6.065 2.770 -9.623 1.00 1.00 C ATOM 38 C HIS A 728 5.523 2.136 -8.340 1.00 1.00 C ATOM 39 O HIS A 728 6.071 1.156 -7.838 1.00 1.00 O ATOM 40 CB HIS A 728 6.664 4.158 -9.325 1.00 1.00 C ATOM 41 CG HIS A 728 6.853 5.042 -10.534 1.00 1.00 C ATOM 42 ND1 HIS A 728 6.361 6.321 -10.678 1.00 1.00 N ATOM 43 CD2 HIS A 728 7.522 4.722 -11.686 1.00 1.00 C ATOM 44 CE1 HIS A 728 6.744 6.776 -11.878 1.00 1.00 C ATOM 45 NE2 HIS A 728 7.435 5.831 -12.540 1.00 1.00 N ATOM 0 H HIS A 728 4.834 3.851 -10.907 1.00 1.00 H new ATOM 0 HA HIS A 728 6.850 2.125 -10.017 1.00 1.00 H new ATOM 0 HB2 HIS A 728 6.016 4.672 -8.615 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.629 4.024 -8.837 1.00 1.00 H new ATOM 0 HD2 HIS A 728 8.023 3.789 -11.897 1.00 1.00 H new ATOM 0 HE1 HIS A 728 6.528 7.763 -12.260 1.00 1.00 H new ATOM 0 HE2 HIS A 728 7.821 5.906 -13.481 1.00 1.00 H new ATOM 53 N PHE A 729 4.410 2.670 -7.822 1.00 1.00 N ATOM 54 CA PHE A 729 3.776 2.099 -6.645 1.00 1.00 C ATOM 55 C PHE A 729 3.376 0.674 -6.939 1.00 1.00 C ATOM 56 O PHE A 729 3.675 -0.199 -6.129 1.00 1.00 O ATOM 57 CB PHE A 729 2.530 2.880 -6.215 1.00 1.00 C ATOM 58 CG PHE A 729 2.722 4.355 -5.960 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.910 4.849 -5.385 1.00 1.00 C ATOM 60 CD2 PHE A 729 1.666 5.235 -6.259 1.00 1.00 C ATOM 61 CE1 PHE A 729 4.039 6.221 -5.116 1.00 1.00 C ATOM 62 CE2 PHE A 729 1.817 6.609 -6.031 1.00 1.00 C ATOM 63 CZ PHE A 729 2.989 7.099 -5.434 1.00 1.00 C ATOM 0 H PHE A 729 3.939 3.491 -8.202 1.00 1.00 H new ATOM 0 HA PHE A 729 4.499 2.146 -5.830 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.769 2.762 -6.986 1.00 1.00 H new ATOM 0 HB3 PHE A 729 2.137 2.424 -5.307 1.00 1.00 H new ATOM 0 HD1 PHE A 729 4.720 4.173 -5.152 1.00 1.00 H new ATOM 0 HD2 PHE A 729 0.741 4.852 -6.664 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.944 6.601 -4.665 1.00 1.00 H new ATOM 0 HE2 PHE A 729 1.030 7.292 -6.315 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.084 8.153 -5.219 1.00 1.00 H new ATOM 73 N ARG A 730 2.728 0.418 -8.084 1.00 1.00 N ATOM 74 CA ARG A 730 2.343 -0.947 -8.386 1.00 1.00 C ATOM 75 C ARG A 730 3.563 -1.848 -8.446 1.00 1.00 C ATOM 76 O ARG A 730 3.456 -2.956 -7.961 1.00 1.00 O ATOM 77 CB ARG A 730 1.452 -1.064 -9.630 1.00 1.00 C ATOM 78 CG ARG A 730 0.848 -2.481 -9.679 1.00 1.00 C ATOM 79 CD ARG A 730 -0.527 -2.525 -10.343 1.00 1.00 C ATOM 80 NE ARG A 730 -1.271 -3.720 -9.915 1.00 1.00 N ATOM 81 CZ ARG A 730 -2.420 -4.167 -10.434 1.00 1.00 C ATOM 82 NH1 ARG A 730 -2.936 -3.608 -11.521 1.00 1.00 N ATOM 83 NH2 ARG A 730 -3.062 -5.159 -9.833 1.00 1.00 N ATOM 0 H ARG A 730 2.472 1.114 -8.784 1.00 1.00 H new ATOM 0 HA ARG A 730 1.717 -1.295 -7.564 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.659 -0.317 -9.597 1.00 1.00 H new ATOM 0 HB3 ARG A 730 2.035 -0.871 -10.531 1.00 1.00 H new ATOM 0 HG2 ARG A 730 1.527 -3.140 -10.220 1.00 1.00 H new ATOM 0 HG3 ARG A 730 0.767 -2.870 -8.664 1.00 1.00 H new ATOM 0 HD2 ARG A 730 -1.090 -1.628 -10.085 1.00 1.00 H new ATOM 0 HD3 ARG A 730 -0.413 -2.530 -11.427 1.00 1.00 H new ATOM 0 HE ARG A 730 -0.872 -4.260 -9.148 1.00 1.00 H new ATOM 0 HH11 ARG A 730 -2.456 -2.828 -11.970 1.00 1.00 H new ATOM 0 HH12 ARG A 730 -3.813 -3.958 -11.907 1.00 1.00 H new ATOM 0 HH21 ARG A 730 -2.679 -5.574 -8.983 1.00 1.00 H new ATOM 0 HH22 ARG A 730 -3.939 -5.508 -10.220 1.00 1.00 H new ATOM 97 N ALA A 731 4.715 -1.397 -8.933 1.00 1.00 N ATOM 98 CA ALA A 731 5.919 -2.206 -8.934 1.00 1.00 C ATOM 99 C ALA A 731 6.328 -2.568 -7.513 1.00 1.00 C ATOM 100 O ALA A 731 6.632 -3.731 -7.251 1.00 1.00 O ATOM 101 CB ALA A 731 7.037 -1.458 -9.671 1.00 1.00 C ATOM 0 H ALA A 731 4.835 -0.467 -9.334 1.00 1.00 H new ATOM 0 HA ALA A 731 5.725 -3.141 -9.459 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.942 -2.066 -9.672 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.729 -1.264 -10.698 1.00 1.00 H new ATOM 0 HB3 ALA A 731 7.236 -0.512 -9.167 1.00 1.00 H new ATOM 107 N MET A 732 6.286 -1.613 -6.580 1.00 1.00 N ATOM 108 CA MET A 732 6.561 -1.928 -5.186 1.00 1.00 C ATOM 109 C MET A 732 5.582 -2.971 -4.657 1.00 1.00 C ATOM 110 O MET A 732 6.002 -3.922 -3.993 1.00 1.00 O ATOM 111 CB MET A 732 6.460 -0.676 -4.323 1.00 1.00 C ATOM 112 CG MET A 732 7.489 0.416 -4.614 1.00 1.00 C ATOM 113 SD MET A 732 7.261 1.870 -3.553 1.00 1.00 S ATOM 114 CE MET A 732 8.149 1.304 -2.076 1.00 1.00 C ATOM 0 H MET A 732 6.068 -0.634 -6.765 1.00 1.00 H new ATOM 0 HA MET A 732 7.574 -2.328 -5.136 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.463 -0.252 -4.446 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.555 -0.969 -3.278 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.492 0.016 -4.469 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.413 0.715 -5.659 1.00 1.00 H new ATOM 0 HE1 MET A 732 8.112 2.079 -1.310 1.00 1.00 H new ATOM 0 HE2 MET A 732 7.681 0.396 -1.696 1.00 1.00 H new ATOM 0 HE3 MET A 732 9.188 1.097 -2.333 1.00 1.00 H new ATOM 124 N ILE A 733 4.287 -2.789 -4.927 1.00 1.00 N ATOM 125 CA ILE A 733 3.258 -3.711 -4.457 1.00 1.00 C ATOM 126 C ILE A 733 3.422 -5.085 -5.119 1.00 1.00 C ATOM 127 O ILE A 733 3.238 -6.105 -4.463 1.00 1.00 O ATOM 128 CB ILE A 733 1.812 -3.159 -4.594 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.675 -1.653 -4.266 1.00 1.00 C ATOM 130 CG2 ILE A 733 0.919 -3.960 -3.641 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.432 -1.130 -3.534 1.00 1.00 C ATOM 0 H ILE A 733 3.928 -2.005 -5.472 1.00 1.00 H new ATOM 0 HA ILE A 733 3.409 -3.827 -3.384 1.00 1.00 H new ATOM 0 HB ILE A 733 1.519 -3.267 -5.638 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.543 -1.373 -3.669 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.747 -1.110 -5.208 1.00 1.00 H new ATOM 0 HG21 ILE A 733 -0.106 -3.597 -3.712 1.00 1.00 H new ATOM 0 HG22 ILE A 733 0.950 -5.015 -3.913 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.277 -3.838 -2.619 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.518 -0.052 -3.395 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.457 -1.349 -4.125 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.351 -1.616 -2.562 1.00 1.00 H new ATOM 143 N VAL A 734 3.793 -5.139 -6.391 1.00 1.00 N ATOM 144 CA VAL A 734 4.004 -6.379 -7.121 1.00 1.00 C ATOM 145 C VAL A 734 5.207 -7.119 -6.539 1.00 1.00 C ATOM 146 O VAL A 734 5.147 -8.344 -6.393 1.00 1.00 O ATOM 147 CB VAL A 734 4.057 -6.076 -8.628 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.531 -7.265 -9.468 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.641 -5.698 -9.104 1.00 1.00 C ATOM 0 H VAL A 734 3.959 -4.305 -6.954 1.00 1.00 H new ATOM 0 HA VAL A 734 3.172 -7.073 -7.002 1.00 1.00 H new ATOM 0 HB VAL A 734 4.773 -5.266 -8.764 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.545 -6.984 -10.521 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.535 -7.554 -9.156 1.00 1.00 H new ATOM 0 HG13 VAL A 734 3.851 -8.105 -9.326 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.662 -5.480 -10.172 1.00 1.00 H new ATOM 0 HG22 VAL A 734 1.960 -6.528 -8.917 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.297 -4.818 -8.561 1.00 1.00 H new ATOM 159 N GLU A 735 6.273 -6.410 -6.154 1.00 1.00 N ATOM 160 CA GLU A 735 7.403 -7.039 -5.493 1.00 1.00 C ATOM 161 C GLU A 735 6.954 -7.547 -4.115 1.00 1.00 C ATOM 162 O GLU A 735 7.290 -8.663 -3.722 1.00 1.00 O ATOM 163 CB GLU A 735 8.532 -6.011 -5.393 1.00 1.00 C ATOM 164 CG GLU A 735 9.781 -6.561 -4.700 1.00 1.00 C ATOM 165 CD GLU A 735 10.720 -5.408 -4.381 1.00 1.00 C ATOM 166 OE1 GLU A 735 10.445 -4.688 -3.393 1.00 1.00 O ATOM 167 OE2 GLU A 735 11.699 -5.201 -5.138 1.00 1.00 O ATOM 0 H GLU A 735 6.370 -5.404 -6.292 1.00 1.00 H new ATOM 0 HA GLU A 735 7.772 -7.897 -6.055 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.798 -5.673 -6.395 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.174 -5.138 -4.846 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.504 -7.085 -3.785 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.280 -7.286 -5.343 1.00 1.00 H new ATOM 174 N PHE A 736 6.158 -6.752 -3.397 1.00 1.00 N ATOM 175 CA PHE A 736 5.623 -7.082 -2.084 1.00 1.00 C ATOM 176 C PHE A 736 4.747 -8.333 -2.157 1.00 1.00 C ATOM 177 O PHE A 736 4.841 -9.188 -1.282 1.00 1.00 O ATOM 178 CB PHE A 736 4.866 -5.865 -1.545 1.00 1.00 C ATOM 179 CG PHE A 736 4.180 -6.024 -0.208 1.00 1.00 C ATOM 180 CD1 PHE A 736 4.870 -6.574 0.888 1.00 1.00 C ATOM 181 CD2 PHE A 736 2.849 -5.587 -0.056 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.217 -6.720 2.121 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.203 -5.720 1.181 1.00 1.00 C ATOM 184 CZ PHE A 736 2.882 -6.303 2.260 1.00 1.00 C ATOM 0 H PHE A 736 5.862 -5.834 -3.728 1.00 1.00 H new ATOM 0 HA PHE A 736 6.432 -7.317 -1.393 1.00 1.00 H new ATOM 0 HB2 PHE A 736 5.568 -5.035 -1.469 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.114 -5.580 -2.281 1.00 1.00 H new ATOM 0 HD1 PHE A 736 5.899 -6.883 0.780 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.326 -5.149 -0.893 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.739 -7.152 2.962 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.187 -5.375 1.302 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.376 -6.433 3.205 1.00 1.00 H new ATOM 194 N MET A 737 3.923 -8.464 -3.197 1.00 1.00 N ATOM 195 CA MET A 737 3.106 -9.634 -3.483 1.00 1.00 C ATOM 196 C MET A 737 4.002 -10.838 -3.741 1.00 1.00 C ATOM 197 O MET A 737 3.785 -11.899 -3.158 1.00 1.00 O ATOM 198 CB MET A 737 2.198 -9.359 -4.688 1.00 1.00 C ATOM 199 CG MET A 737 0.931 -8.578 -4.330 1.00 1.00 C ATOM 200 SD MET A 737 -0.302 -9.501 -3.376 1.00 1.00 S ATOM 201 CE MET A 737 -0.624 -10.894 -4.494 1.00 1.00 C ATOM 0 H MET A 737 3.805 -7.724 -3.889 1.00 1.00 H new ATOM 0 HA MET A 737 2.473 -9.852 -2.623 1.00 1.00 H new ATOM 0 HB2 MET A 737 2.760 -8.801 -5.437 1.00 1.00 H new ATOM 0 HB3 MET A 737 1.914 -10.308 -5.144 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.218 -7.693 -3.762 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.466 -8.229 -5.252 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.582 -11.349 -4.242 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.652 -10.536 -5.523 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.169 -11.635 -4.390 1.00 1.00 H new ATOM 211 N ALA A 738 5.011 -10.683 -4.600 1.00 1.00 N ATOM 212 CA ALA A 738 5.890 -11.774 -4.982 1.00 1.00 C ATOM 213 C ALA A 738 6.675 -12.297 -3.773 1.00 1.00 C ATOM 214 O ALA A 738 6.827 -13.507 -3.600 1.00 1.00 O ATOM 215 CB ALA A 738 6.825 -11.306 -6.099 1.00 1.00 C ATOM 0 H ALA A 738 5.236 -9.794 -5.047 1.00 1.00 H new ATOM 0 HA ALA A 738 5.290 -12.604 -5.355 1.00 1.00 H new ATOM 0 HB1 ALA A 738 7.486 -12.124 -6.387 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.235 -10.995 -6.961 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.422 -10.465 -5.746 1.00 1.00 H new ATOM 221 N SER A 739 7.182 -11.383 -2.947 1.00 1.00 N ATOM 222 CA SER A 739 7.993 -11.668 -1.775 1.00 1.00 C ATOM 223 C SER A 739 7.132 -12.100 -0.575 1.00 1.00 C ATOM 224 O SER A 739 7.589 -12.884 0.255 1.00 1.00 O ATOM 225 CB SER A 739 8.787 -10.390 -1.470 1.00 1.00 C ATOM 226 OG SER A 739 9.905 -10.651 -0.657 1.00 1.00 O ATOM 0 H SER A 739 7.030 -10.384 -3.086 1.00 1.00 H new ATOM 0 HA SER A 739 8.665 -12.505 -1.968 1.00 1.00 H new ATOM 0 HB2 SER A 739 9.115 -9.934 -2.404 1.00 1.00 H new ATOM 0 HB3 SER A 739 8.138 -9.668 -0.974 1.00 1.00 H new ATOM 0 HG SER A 739 10.702 -10.244 -1.056 1.00 1.00 H new ATOM 232 N LYS A 740 5.902 -11.584 -0.461 1.00 1.00 N ATOM 233 CA LYS A 740 4.948 -11.788 0.635 1.00 1.00 C ATOM 234 C LYS A 740 5.604 -11.707 2.007 1.00 1.00 C ATOM 235 O LYS A 740 5.437 -12.605 2.826 1.00 1.00 O ATOM 236 CB LYS A 740 3.995 -12.982 0.394 1.00 1.00 C ATOM 237 CG LYS A 740 4.682 -14.330 0.135 1.00 1.00 C ATOM 238 CD LYS A 740 3.650 -15.400 -0.245 1.00 1.00 C ATOM 239 CE LYS A 740 4.354 -16.629 -0.824 1.00 1.00 C ATOM 240 NZ LYS A 740 5.022 -17.441 0.211 1.00 1.00 N ATOM 0 H LYS A 740 5.521 -10.971 -1.182 1.00 1.00 H new ATOM 0 HA LYS A 740 4.266 -10.937 0.638 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.344 -13.086 1.262 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.356 -12.749 -0.458 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.414 -14.223 -0.666 1.00 1.00 H new ATOM 0 HG3 LYS A 740 5.227 -14.643 1.025 1.00 1.00 H new ATOM 0 HD2 LYS A 740 3.069 -15.684 0.633 1.00 1.00 H new ATOM 0 HD3 LYS A 740 2.948 -14.996 -0.975 1.00 1.00 H new ATOM 0 HE2 LYS A 740 3.626 -17.246 -1.350 1.00 1.00 H new ATOM 0 HE3 LYS A 740 5.091 -16.308 -1.560 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 5.483 -18.260 -0.234 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 5.737 -16.863 0.697 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 4.317 -17.773 0.900 1.00 1.00 H new ATOM 253 N LYS A 741 6.358 -10.627 2.254 1.00 1.00 N ATOM 254 CA LYS A 741 7.101 -10.412 3.484 1.00 1.00 C ATOM 255 C LYS A 741 6.180 -10.402 4.701 1.00 1.00 C ATOM 256 O LYS A 741 6.063 -11.428 5.358 1.00 1.00 O ATOM 257 CB LYS A 741 7.922 -9.134 3.338 1.00 1.00 C ATOM 258 CG LYS A 741 9.065 -9.297 2.332 1.00 1.00 C ATOM 259 CD LYS A 741 10.032 -10.459 2.635 1.00 1.00 C ATOM 260 CE LYS A 741 11.435 -10.235 2.059 1.00 1.00 C ATOM 261 NZ LYS A 741 12.175 -9.209 2.817 1.00 1.00 N ATOM 0 H LYS A 741 6.465 -9.866 1.583 1.00 1.00 H new ATOM 0 HA LYS A 741 7.788 -11.241 3.656 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.271 -8.320 3.018 1.00 1.00 H new ATOM 0 HB3 LYS A 741 8.331 -8.853 4.309 1.00 1.00 H new ATOM 0 HG2 LYS A 741 8.639 -9.447 1.340 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.635 -8.368 2.297 1.00 1.00 H new ATOM 0 HD2 LYS A 741 10.105 -10.592 3.714 1.00 1.00 H new ATOM 0 HD3 LYS A 741 9.621 -11.383 2.227 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.990 -11.173 2.077 1.00 1.00 H new ATOM 0 HE3 LYS A 741 11.356 -9.931 1.015 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 13.176 -9.225 2.537 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 11.774 -8.271 2.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 12.097 -9.406 3.835 1.00 1.00 H new ATOM 274 N MET A 742 5.523 -9.274 4.981 1.00 1.00 N ATOM 275 CA MET A 742 4.519 -9.085 6.030 1.00 1.00 C ATOM 276 C MET A 742 3.717 -7.835 5.680 1.00 1.00 C ATOM 277 O MET A 742 2.545 -7.933 5.323 1.00 1.00 O ATOM 278 CB MET A 742 5.145 -8.907 7.432 1.00 1.00 C ATOM 279 CG MET A 742 5.566 -10.180 8.176 1.00 1.00 C ATOM 280 SD MET A 742 4.194 -11.241 8.730 1.00 1.00 S ATOM 281 CE MET A 742 4.119 -12.496 7.423 1.00 1.00 C ATOM 0 H MET A 742 5.687 -8.418 4.451 1.00 1.00 H new ATOM 0 HA MET A 742 3.893 -9.977 6.073 1.00 1.00 H new ATOM 0 HB2 MET A 742 6.022 -8.268 7.332 1.00 1.00 H new ATOM 0 HB3 MET A 742 4.430 -8.371 8.056 1.00 1.00 H new ATOM 0 HG2 MET A 742 6.216 -10.764 7.525 1.00 1.00 H new ATOM 0 HG3 MET A 742 6.158 -9.895 9.046 1.00 1.00 H new ATOM 0 HE1 MET A 742 3.549 -13.355 7.776 1.00 1.00 H new ATOM 0 HE2 MET A 742 3.634 -12.075 6.542 1.00 1.00 H new ATOM 0 HE3 MET A 742 5.129 -12.813 7.164 1.00 1.00 H new ATOM 291 N GLN A 743 4.366 -6.666 5.708 1.00 1.00 N ATOM 292 CA GLN A 743 3.745 -5.364 5.497 1.00 1.00 C ATOM 293 C GLN A 743 4.656 -4.448 4.685 1.00 1.00 C ATOM 294 O GLN A 743 5.862 -4.695 4.596 1.00 1.00 O ATOM 295 CB GLN A 743 3.381 -4.719 6.851 1.00 1.00 C ATOM 296 CG GLN A 743 4.551 -4.118 7.655 1.00 1.00 C ATOM 297 CD GLN A 743 5.583 -5.149 8.104 1.00 1.00 C ATOM 298 OE1 GLN A 743 5.438 -5.762 9.159 1.00 1.00 O ATOM 299 NE2 GLN A 743 6.639 -5.380 7.337 1.00 1.00 N ATOM 0 H GLN A 743 5.369 -6.603 5.884 1.00 1.00 H new ATOM 0 HA GLN A 743 2.828 -5.510 4.926 1.00 1.00 H new ATOM 0 HB2 GLN A 743 2.650 -3.931 6.670 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.892 -5.472 7.469 1.00 1.00 H new ATOM 0 HG2 GLN A 743 5.047 -3.362 7.047 1.00 1.00 H new ATOM 0 HG3 GLN A 743 4.153 -3.610 8.533 1.00 1.00 H new ATOM 0 HE21 GLN A 743 6.755 -4.869 6.462 1.00 1.00 H new ATOM 0 HE22 GLN A 743 7.335 -6.069 7.622 1.00 1.00 H new ATOM 308 N LEU A 744 4.096 -3.377 4.133 1.00 1.00 N ATOM 309 CA LEU A 744 4.807 -2.333 3.429 1.00 1.00 C ATOM 310 C LEU A 744 4.102 -1.048 3.843 1.00 1.00 C ATOM 311 O LEU A 744 2.881 -0.925 3.708 1.00 1.00 O ATOM 312 CB LEU A 744 4.773 -2.559 1.914 1.00 1.00 C ATOM 313 CG LEU A 744 5.893 -1.805 1.164 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.822 -2.131 -0.331 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.919 -0.283 1.338 1.00 1.00 C ATOM 0 H LEU A 744 3.090 -3.212 4.169 1.00 1.00 H new ATOM 0 HA LEU A 744 5.868 -2.305 3.679 1.00 1.00 H new ATOM 0 HB2 LEU A 744 4.862 -3.626 1.710 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.806 -2.240 1.527 1.00 1.00 H new ATOM 0 HG LEU A 744 6.814 -2.162 1.624 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.613 -1.598 -0.858 1.00 1.00 H new ATOM 0 HD12 LEU A 744 5.949 -3.204 -0.476 1.00 1.00 H new ATOM 0 HD13 LEU A 744 4.853 -1.824 -0.725 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.747 0.135 0.766 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.981 0.140 0.980 1.00 1.00 H new ATOM 0 HD23 LEU A 744 6.048 -0.040 2.393 1.00 1.00 H new ATOM 327 N GLU A 745 4.859 -0.125 4.418 1.00 1.00 N ATOM 328 CA GLU A 745 4.413 1.157 4.885 1.00 1.00 C ATOM 329 C GLU A 745 4.766 2.170 3.790 1.00 1.00 C ATOM 330 O GLU A 745 5.948 2.412 3.529 1.00 1.00 O ATOM 331 CB GLU A 745 5.169 1.398 6.198 1.00 1.00 C ATOM 332 CG GLU A 745 4.781 0.378 7.290 1.00 1.00 C ATOM 333 CD GLU A 745 5.563 0.548 8.595 1.00 1.00 C ATOM 334 OE1 GLU A 745 6.806 0.707 8.558 1.00 1.00 O ATOM 335 OE2 GLU A 745 4.951 0.437 9.685 1.00 1.00 O ATOM 0 H GLU A 745 5.856 -0.270 4.575 1.00 1.00 H new ATOM 0 HA GLU A 745 3.343 1.235 5.075 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.242 1.340 6.014 1.00 1.00 H new ATOM 0 HB3 GLU A 745 4.961 2.407 6.555 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.716 0.471 7.500 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.943 -0.630 6.908 1.00 1.00 H new ATOM 342 N PHE A 746 3.753 2.756 3.153 1.00 1.00 N ATOM 343 CA PHE A 746 3.819 3.801 2.130 1.00 1.00 C ATOM 344 C PHE A 746 3.685 5.157 2.883 1.00 1.00 C ATOM 345 O PHE A 746 2.884 5.253 3.817 1.00 1.00 O ATOM 346 CB PHE A 746 2.708 3.552 1.080 1.00 1.00 C ATOM 347 CG PHE A 746 2.991 2.513 0.000 1.00 1.00 C ATOM 348 CD1 PHE A 746 2.704 1.145 0.199 1.00 1.00 C ATOM 349 CD2 PHE A 746 3.487 2.925 -1.253 1.00 1.00 C ATOM 350 CE1 PHE A 746 2.997 0.210 -0.809 1.00 1.00 C ATOM 351 CE2 PHE A 746 3.807 1.990 -2.247 1.00 1.00 C ATOM 352 CZ PHE A 746 3.586 0.628 -2.014 1.00 1.00 C ATOM 0 H PHE A 746 2.789 2.492 3.354 1.00 1.00 H new ATOM 0 HA PHE A 746 4.756 3.805 1.573 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.804 3.251 1.609 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.489 4.500 0.588 1.00 1.00 H new ATOM 0 HD1 PHE A 746 2.259 0.817 1.127 1.00 1.00 H new ATOM 0 HD2 PHE A 746 3.623 3.978 -1.451 1.00 1.00 H new ATOM 0 HE1 PHE A 746 2.768 -0.834 -0.656 1.00 1.00 H new ATOM 0 HE2 PHE A 746 4.222 2.319 -3.188 1.00 1.00 H new ATOM 0 HZ PHE A 746 3.868 -0.101 -2.759 1.00 1.00 H new ATOM 362 N PRO A 747 4.421 6.218 2.490 1.00 1.00 N ATOM 363 CA PRO A 747 4.479 7.509 3.195 1.00 1.00 C ATOM 364 C PRO A 747 3.239 8.427 3.196 1.00 1.00 C ATOM 365 O PRO A 747 2.304 8.245 2.416 1.00 1.00 O ATOM 366 CB PRO A 747 5.676 8.235 2.554 1.00 1.00 C ATOM 367 CG PRO A 747 5.745 7.677 1.137 1.00 1.00 C ATOM 368 CD PRO A 747 5.283 6.235 1.317 1.00 1.00 C ATOM 0 HA PRO A 747 4.557 7.284 4.259 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.529 9.315 2.549 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.598 8.041 3.102 1.00 1.00 H new ATOM 0 HG2 PRO A 747 5.097 8.227 0.454 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.755 7.730 0.730 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.744 5.888 0.435 1.00 1.00 H new ATOM 0 HD3 PRO A 747 6.135 5.569 1.453 1.00 1.00 H new ATOM 376 N PRO A 748 3.245 9.490 4.032 1.00 1.00 N ATOM 377 CA PRO A 748 2.193 10.511 4.060 1.00 1.00 C ATOM 378 C PRO A 748 2.139 11.359 2.786 1.00 1.00 C ATOM 379 O PRO A 748 1.091 11.936 2.489 1.00 1.00 O ATOM 380 CB PRO A 748 2.517 11.445 5.232 1.00 1.00 C ATOM 381 CG PRO A 748 3.974 11.154 5.580 1.00 1.00 C ATOM 382 CD PRO A 748 4.174 9.709 5.137 1.00 1.00 C ATOM 0 HA PRO A 748 1.230 10.008 4.153 1.00 1.00 H new ATOM 0 HB2 PRO A 748 2.379 12.490 4.953 1.00 1.00 H new ATOM 0 HB3 PRO A 748 1.862 11.253 6.082 1.00 1.00 H new ATOM 0 HG2 PRO A 748 4.652 11.829 5.058 1.00 1.00 H new ATOM 0 HG3 PRO A 748 4.162 11.275 6.647 1.00 1.00 H new ATOM 0 HD2 PRO A 748 5.203 9.538 4.820 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.974 9.019 5.957 1.00 1.00 H new ATOM 390 N SER A 749 3.251 11.461 2.055 1.00 1.00 N ATOM 391 CA SER A 749 3.448 12.298 0.876 1.00 1.00 C ATOM 392 C SER A 749 2.443 12.045 -0.254 1.00 1.00 C ATOM 393 O SER A 749 2.247 12.904 -1.119 1.00 1.00 O ATOM 394 CB SER A 749 4.882 12.058 0.392 1.00 1.00 C ATOM 395 OG SER A 749 5.797 12.130 1.475 1.00 1.00 O ATOM 0 H SER A 749 4.088 10.927 2.287 1.00 1.00 H new ATOM 0 HA SER A 749 3.279 13.337 1.160 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.951 11.080 -0.084 1.00 1.00 H new ATOM 0 HB3 SER A 749 5.145 12.799 -0.362 1.00 1.00 H new ATOM 0 HG SER A 749 6.707 11.972 1.146 1.00 1.00 H new ATOM 401 N LEU A 750 1.793 10.887 -0.246 1.00 1.00 N ATOM 402 CA LEU A 750 0.742 10.522 -1.178 1.00 1.00 C ATOM 403 C LEU A 750 -0.421 11.493 -1.018 1.00 1.00 C ATOM 404 O LEU A 750 -0.900 11.701 0.094 1.00 1.00 O ATOM 405 CB LEU A 750 0.397 9.048 -0.910 1.00 1.00 C ATOM 406 CG LEU A 750 1.377 8.037 -1.574 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.452 8.623 -2.504 1.00 1.00 C ATOM 408 CD2 LEU A 750 2.142 7.229 -0.532 1.00 1.00 C ATOM 0 H LEU A 750 1.993 10.154 0.434 1.00 1.00 H new ATOM 0 HA LEU A 750 1.041 10.601 -2.223 1.00 1.00 H new ATOM 0 HB2 LEU A 750 0.390 8.877 0.167 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -0.612 8.850 -1.271 1.00 1.00 H new ATOM 0 HG LEU A 750 0.694 7.439 -2.178 1.00 1.00 H new ATOM 0 HD11 LEU A 750 3.068 7.817 -2.901 1.00 1.00 H new ATOM 0 HD12 LEU A 750 1.972 9.152 -3.327 1.00 1.00 H new ATOM 0 HD13 LEU A 750 3.079 9.317 -1.944 1.00 1.00 H new ATOM 0 HD21 LEU A 750 2.816 6.534 -1.033 1.00 1.00 H new ATOM 0 HD22 LEU A 750 2.720 7.904 0.099 1.00 1.00 H new ATOM 0 HD23 LEU A 750 1.438 6.670 0.084 1.00 1.00 H new ATOM 420 N ASN A 751 -0.859 12.115 -2.118 1.00 1.00 N ATOM 421 CA ASN A 751 -1.881 13.150 -2.051 1.00 1.00 C ATOM 422 C ASN A 751 -3.278 12.550 -1.949 1.00 1.00 C ATOM 423 O ASN A 751 -3.913 12.604 -0.894 1.00 1.00 O ATOM 424 CB ASN A 751 -1.775 14.108 -3.240 1.00 1.00 C ATOM 425 CG ASN A 751 -0.667 15.100 -2.953 1.00 1.00 C ATOM 426 OD1 ASN A 751 -0.856 16.067 -2.221 1.00 1.00 O ATOM 427 ND2 ASN A 751 0.545 14.829 -3.382 1.00 1.00 N ATOM 0 H ASN A 751 -0.520 11.917 -3.059 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.706 13.726 -1.142 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -1.562 13.555 -4.155 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.720 14.628 -3.394 1.00 1.00 H new ATOM 0 HD21 ASN A 751 1.328 15.422 -3.107 1.00 1.00 H new ATOM 0 HD22 ASN A 751 0.703 14.026 -3.990 1.00 1.00 H new ATOM 434 N SER A 752 -3.792 11.959 -3.026 1.00 1.00 N ATOM 435 CA SER A 752 -5.099 11.308 -3.020 1.00 1.00 C ATOM 436 C SER A 752 -5.085 10.106 -3.957 1.00 1.00 C ATOM 437 O SER A 752 -5.117 8.981 -3.457 1.00 1.00 O ATOM 438 CB SER A 752 -6.209 12.317 -3.340 1.00 1.00 C ATOM 439 OG SER A 752 -6.307 13.323 -2.341 1.00 1.00 O ATOM 0 H SER A 752 -3.314 11.918 -3.926 1.00 1.00 H new ATOM 0 HA SER A 752 -5.317 10.928 -2.022 1.00 1.00 H new ATOM 0 HB2 SER A 752 -6.012 12.781 -4.306 1.00 1.00 H new ATOM 0 HB3 SER A 752 -7.162 11.795 -3.426 1.00 1.00 H new ATOM 0 HG SER A 752 -7.022 13.950 -2.577 1.00 1.00 H new ATOM 445 N HIS A 753 -4.938 10.317 -5.275 1.00 1.00 N ATOM 446 CA HIS A 753 -4.880 9.230 -6.259 1.00 1.00 C ATOM 447 C HIS A 753 -3.822 8.196 -5.886 1.00 1.00 C ATOM 448 O HIS A 753 -3.977 7.018 -6.191 1.00 1.00 O ATOM 449 CB HIS A 753 -4.591 9.739 -7.678 1.00 1.00 C ATOM 450 CG HIS A 753 -5.782 10.288 -8.407 1.00 1.00 C ATOM 451 ND1 HIS A 753 -6.725 9.548 -9.088 1.00 1.00 N ATOM 452 CD2 HIS A 753 -6.053 11.609 -8.621 1.00 1.00 C ATOM 453 CE1 HIS A 753 -7.580 10.407 -9.658 1.00 1.00 C ATOM 454 NE2 HIS A 753 -7.193 11.676 -9.430 1.00 1.00 N ATOM 0 H HIS A 753 -4.856 11.247 -5.686 1.00 1.00 H new ATOM 0 HA HIS A 753 -5.867 8.768 -6.248 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.828 10.516 -7.621 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -4.170 8.921 -8.263 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -5.491 12.448 -8.237 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -8.456 10.122 -10.221 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -7.643 12.522 -9.779 1.00 1.00 H new ATOM 462 N ASP A 754 -2.718 8.619 -5.276 1.00 1.00 N ATOM 463 CA ASP A 754 -1.592 7.784 -4.932 1.00 1.00 C ATOM 464 C ASP A 754 -2.031 6.743 -3.900 1.00 1.00 C ATOM 465 O ASP A 754 -1.861 5.541 -4.094 1.00 1.00 O ATOM 466 CB ASP A 754 -0.501 8.669 -4.323 1.00 1.00 C ATOM 467 CG ASP A 754 -0.301 10.035 -4.959 1.00 1.00 C ATOM 468 OD1 ASP A 754 -1.160 10.914 -4.707 1.00 1.00 O ATOM 469 OD2 ASP A 754 0.699 10.271 -5.660 1.00 1.00 O ATOM 0 H ASP A 754 -2.587 9.593 -5.001 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.215 7.277 -5.820 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.730 8.815 -3.267 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.444 8.128 -4.373 1.00 1.00 H new ATOM 474 N ARG A 755 -2.623 7.222 -2.799 1.00 1.00 N ATOM 475 CA ARG A 755 -3.110 6.423 -1.682 1.00 1.00 C ATOM 476 C ARG A 755 -4.263 5.553 -2.162 1.00 1.00 C ATOM 477 O ARG A 755 -4.277 4.357 -1.887 1.00 1.00 O ATOM 478 CB ARG A 755 -3.510 7.380 -0.547 1.00 1.00 C ATOM 479 CG ARG A 755 -3.964 6.639 0.716 1.00 1.00 C ATOM 480 CD ARG A 755 -4.388 7.573 1.861 1.00 1.00 C ATOM 481 NE ARG A 755 -3.309 8.479 2.304 1.00 1.00 N ATOM 482 CZ ARG A 755 -3.043 9.716 1.850 1.00 1.00 C ATOM 483 NH1 ARG A 755 -3.827 10.321 0.961 1.00 1.00 N ATOM 484 NH2 ARG A 755 -1.948 10.339 2.266 1.00 1.00 N ATOM 0 H ARG A 755 -2.779 8.221 -2.662 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.343 5.751 -1.296 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.664 8.022 -0.303 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -4.314 8.030 -0.891 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -4.799 5.986 0.463 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -3.153 5.999 1.063 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -5.243 8.167 1.538 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -4.719 6.972 2.708 1.00 1.00 H new ATOM 0 HE ARG A 755 -2.696 8.126 3.038 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -4.656 9.845 0.605 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -3.599 11.260 0.635 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -1.318 9.879 2.924 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -1.736 11.278 1.928 1.00 1.00 H new ATOM 498 N LEU A 756 -5.208 6.147 -2.897 1.00 1.00 N ATOM 499 CA LEU A 756 -6.317 5.446 -3.530 1.00 1.00 C ATOM 500 C LEU A 756 -5.768 4.279 -4.349 1.00 1.00 C ATOM 501 O LEU A 756 -6.247 3.162 -4.197 1.00 1.00 O ATOM 502 CB LEU A 756 -7.174 6.436 -4.321 1.00 1.00 C ATOM 503 CG LEU A 756 -8.063 5.829 -5.433 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.545 6.173 -5.255 1.00 1.00 C ATOM 505 CD2 LEU A 756 -7.576 6.317 -6.803 1.00 1.00 C ATOM 0 H LEU A 756 -5.219 7.152 -3.069 1.00 1.00 H new ATOM 0 HA LEU A 756 -6.988 5.010 -2.790 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.817 6.969 -3.621 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.514 7.175 -4.775 1.00 1.00 H new ATOM 0 HG LEU A 756 -7.975 4.745 -5.365 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.123 5.722 -6.062 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -9.896 5.787 -4.298 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.673 7.255 -5.278 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -8.203 5.889 -7.586 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -7.636 7.405 -6.844 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -6.543 6.005 -6.954 1.00 1.00 H new ATOM 517 N ARG A 757 -4.745 4.492 -5.179 1.00 1.00 N ATOM 518 CA ARG A 757 -4.180 3.408 -5.968 1.00 1.00 C ATOM 519 C ARG A 757 -3.589 2.326 -5.078 1.00 1.00 C ATOM 520 O ARG A 757 -3.871 1.161 -5.329 1.00 1.00 O ATOM 521 CB ARG A 757 -3.185 3.943 -6.991 1.00 1.00 C ATOM 522 CG ARG A 757 -2.773 2.908 -8.047 1.00 1.00 C ATOM 523 CD ARG A 757 -3.914 2.579 -9.022 1.00 1.00 C ATOM 524 NE ARG A 757 -3.720 1.292 -9.707 1.00 1.00 N ATOM 525 CZ ARG A 757 -4.629 0.310 -9.817 1.00 1.00 C ATOM 526 NH1 ARG A 757 -5.835 0.401 -9.263 1.00 1.00 N ATOM 527 NH2 ARG A 757 -4.320 -0.789 -10.487 1.00 1.00 N ATOM 0 H ARG A 757 -4.298 5.398 -5.318 1.00 1.00 H new ATOM 0 HA ARG A 757 -4.985 2.934 -6.530 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -3.621 4.807 -7.492 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.294 4.293 -6.470 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -1.918 3.286 -8.607 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -2.450 1.994 -7.549 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -4.858 2.557 -8.477 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -3.993 3.373 -9.764 1.00 1.00 H new ATOM 0 HE ARG A 757 -2.810 1.130 -10.139 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -6.092 1.235 -8.736 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -6.502 -0.364 -9.366 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -3.398 -0.884 -10.914 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -5.003 -1.541 -10.576 1.00 1.00 H new ATOM 541 N VAL A 758 -2.802 2.673 -4.059 1.00 1.00 N ATOM 542 CA VAL A 758 -2.260 1.676 -3.129 1.00 1.00 C ATOM 543 C VAL A 758 -3.403 0.806 -2.580 1.00 1.00 C ATOM 544 O VAL A 758 -3.313 -0.423 -2.650 1.00 1.00 O ATOM 545 CB VAL A 758 -1.435 2.349 -2.006 1.00 1.00 C ATOM 546 CG1 VAL A 758 -1.014 1.380 -0.891 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.157 2.972 -2.576 1.00 1.00 C ATOM 0 H VAL A 758 -2.525 3.633 -3.855 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.570 1.023 -3.663 1.00 1.00 H new ATOM 0 HB VAL A 758 -2.095 3.105 -1.580 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.439 1.919 -0.138 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.902 0.948 -0.429 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.401 0.584 -1.313 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.410 3.440 -1.771 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.449 2.196 -3.043 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.419 3.724 -3.320 1.00 1.00 H new ATOM 557 N HIS A 759 -4.484 1.432 -2.091 1.00 1.00 N ATOM 558 CA HIS A 759 -5.675 0.733 -1.621 1.00 1.00 C ATOM 559 C HIS A 759 -6.225 -0.196 -2.703 1.00 1.00 C ATOM 560 O HIS A 759 -6.426 -1.372 -2.440 1.00 1.00 O ATOM 561 CB HIS A 759 -6.777 1.712 -1.192 1.00 1.00 C ATOM 562 CG HIS A 759 -6.497 2.568 0.019 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.193 2.135 1.288 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.672 3.924 0.090 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.182 3.202 2.103 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.455 4.320 1.414 1.00 1.00 N ATOM 0 H HIS A 759 -4.550 2.447 -2.013 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.373 0.145 -0.754 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -6.990 2.373 -2.032 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.684 1.139 -1.000 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.932 4.574 -0.732 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -5.982 3.165 3.164 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -6.496 5.270 1.782 1.00 1.00 H new ATOM 574 N GLN A 760 -6.477 0.313 -3.908 1.00 1.00 N ATOM 575 CA GLN A 760 -7.090 -0.414 -5.009 1.00 1.00 C ATOM 576 C GLN A 760 -6.292 -1.655 -5.403 1.00 1.00 C ATOM 577 O GLN A 760 -6.880 -2.720 -5.577 1.00 1.00 O ATOM 578 CB GLN A 760 -7.179 0.520 -6.222 1.00 1.00 C ATOM 579 CG GLN A 760 -8.278 1.574 -6.132 1.00 1.00 C ATOM 580 CD GLN A 760 -8.193 2.620 -7.242 1.00 1.00 C ATOM 581 OE1 GLN A 760 -7.180 2.783 -7.931 1.00 1.00 O ATOM 582 NE2 GLN A 760 -9.263 3.369 -7.425 1.00 1.00 N ATOM 0 H GLN A 760 -6.250 1.278 -4.149 1.00 1.00 H new ATOM 0 HA GLN A 760 -8.077 -0.744 -4.684 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.220 1.023 -6.348 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.343 -0.082 -7.116 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.250 1.083 -6.177 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.217 2.073 -5.165 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.092 3.223 -6.849 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -9.261 4.094 -8.143 1.00 1.00 H new ATOM 591 N ILE A 761 -4.979 -1.542 -5.629 1.00 1.00 N ATOM 592 CA ILE A 761 -4.111 -2.672 -5.902 1.00 1.00 C ATOM 593 C ILE A 761 -4.276 -3.685 -4.766 1.00 1.00 C ATOM 594 O ILE A 761 -4.560 -4.858 -5.009 1.00 1.00 O ATOM 595 CB ILE A 761 -2.663 -2.149 -6.049 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.597 -1.098 -7.173 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.709 -3.318 -6.358 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.235 -0.405 -7.296 1.00 1.00 C ATOM 0 H ILE A 761 -4.491 -0.646 -5.625 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.367 -3.179 -6.832 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.356 -1.684 -5.112 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.836 -1.579 -8.121 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.363 -0.343 -6.997 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.692 -2.940 -6.460 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.747 -4.043 -5.545 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -2.012 -3.799 -7.288 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.268 0.321 -8.109 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.001 0.107 -6.362 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.466 -1.149 -7.505 1.00 1.00 H new ATOM 610 N ALA A 762 -4.141 -3.231 -3.519 1.00 1.00 N ATOM 611 CA ALA A 762 -4.277 -4.096 -2.363 1.00 1.00 C ATOM 612 C ALA A 762 -5.631 -4.811 -2.310 1.00 1.00 C ATOM 613 O ALA A 762 -5.678 -5.997 -1.973 1.00 1.00 O ATOM 614 CB ALA A 762 -3.989 -3.268 -1.107 1.00 1.00 C ATOM 0 H ALA A 762 -3.936 -2.258 -3.291 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.550 -4.905 -2.432 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -4.086 -3.900 -0.224 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.976 -2.869 -1.158 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.700 -2.444 -1.043 1.00 1.00 H new ATOM 620 N GLU A 763 -6.712 -4.112 -2.647 1.00 1.00 N ATOM 621 CA GLU A 763 -8.064 -4.637 -2.615 1.00 1.00 C ATOM 622 C GLU A 763 -8.338 -5.571 -3.798 1.00 1.00 C ATOM 623 O GLU A 763 -9.253 -6.391 -3.734 1.00 1.00 O ATOM 624 CB GLU A 763 -9.084 -3.471 -2.620 1.00 1.00 C ATOM 625 CG GLU A 763 -10.346 -3.877 -1.845 1.00 1.00 C ATOM 626 CD GLU A 763 -11.299 -2.733 -1.478 1.00 1.00 C ATOM 627 OE1 GLU A 763 -11.382 -1.701 -2.188 1.00 1.00 O ATOM 628 OE2 GLU A 763 -12.076 -2.911 -0.505 1.00 1.00 O ATOM 0 H GLU A 763 -6.665 -3.141 -2.957 1.00 1.00 H new ATOM 0 HA GLU A 763 -8.173 -5.217 -1.699 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.639 -2.585 -2.168 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -9.345 -3.209 -3.645 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.896 -4.607 -2.439 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.040 -4.379 -0.927 1.00 1.00 H new ATOM 635 N GLU A 764 -7.610 -5.440 -4.905 1.00 1.00 N ATOM 636 CA GLU A 764 -7.685 -6.301 -6.056 1.00 1.00 C ATOM 637 C GLU A 764 -6.977 -7.629 -5.779 1.00 1.00 C ATOM 638 O GLU A 764 -7.471 -8.682 -6.187 1.00 1.00 O ATOM 639 CB GLU A 764 -7.059 -5.514 -7.207 1.00 1.00 C ATOM 640 CG GLU A 764 -7.078 -6.314 -8.492 1.00 1.00 C ATOM 641 CD GLU A 764 -6.629 -5.466 -9.677 1.00 1.00 C ATOM 642 OE1 GLU A 764 -7.235 -4.397 -9.924 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.660 -5.841 -10.372 1.00 1.00 O ATOM 0 H GLU A 764 -6.924 -4.693 -5.017 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.710 -6.573 -6.308 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -7.602 -4.579 -7.349 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -6.032 -5.251 -6.955 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -6.424 -7.181 -8.393 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -8.084 -6.692 -8.673 1.00 1.00 H new ATOM 650 N HIS A 765 -5.820 -7.590 -5.114 1.00 1.00 N ATOM 651 CA HIS A 765 -5.061 -8.740 -4.668 1.00 1.00 C ATOM 652 C HIS A 765 -5.681 -9.208 -3.347 1.00 1.00 C ATOM 653 O HIS A 765 -6.899 -9.177 -3.154 1.00 1.00 O ATOM 654 CB HIS A 765 -3.570 -8.376 -4.577 1.00 1.00 C ATOM 655 CG HIS A 765 -2.991 -7.871 -5.873 1.00 1.00 C ATOM 656 ND1 HIS A 765 -2.893 -8.535 -7.077 1.00 1.00 N ATOM 657 CD2 HIS A 765 -2.463 -6.631 -6.049 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.336 -7.688 -7.959 1.00 1.00 C ATOM 659 NE2 HIS A 765 -2.072 -6.502 -7.386 1.00 1.00 N ATOM 0 H HIS A 765 -5.373 -6.708 -4.864 1.00 1.00 H new ATOM 0 HA HIS A 765 -5.108 -9.572 -5.371 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.437 -7.615 -3.808 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -3.009 -9.254 -4.256 1.00 1.00 H new ATOM 0 HD1 HIS A 765 -3.189 -9.493 -7.264 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -2.362 -5.873 -5.286 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -2.128 -7.929 -8.991 1.00 1.00 H new ATOM 667 N GLY A 766 -4.861 -9.754 -2.464 1.00 1.00 N ATOM 668 CA GLY A 766 -5.197 -10.177 -1.133 1.00 1.00 C ATOM 669 C GLY A 766 -4.334 -9.439 -0.126 1.00 1.00 C ATOM 670 O GLY A 766 -3.494 -10.064 0.533 1.00 1.00 O ATOM 0 H GLY A 766 -3.879 -9.920 -2.683 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -6.251 -9.982 -0.935 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -5.048 -11.252 -1.035 1.00 1.00 H new ATOM 674 N LEU A 767 -4.515 -8.114 -0.019 1.00 1.00 N ATOM 675 CA LEU A 767 -3.784 -7.318 0.954 1.00 1.00 C ATOM 676 C LEU A 767 -4.737 -6.538 1.848 1.00 1.00 C ATOM 677 O LEU A 767 -5.737 -5.992 1.372 1.00 1.00 O ATOM 678 CB LEU A 767 -2.891 -6.289 0.247 1.00 1.00 C ATOM 679 CG LEU A 767 -1.911 -6.787 -0.810 1.00 1.00 C ATOM 680 CD1 LEU A 767 -1.022 -5.660 -1.321 1.00 1.00 C ATOM 681 CD2 LEU A 767 -0.967 -7.834 -0.254 1.00 1.00 C ATOM 0 H LEU A 767 -5.163 -7.580 -0.598 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.187 -8.012 1.546 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.542 -5.552 -0.224 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.317 -5.765 1.012 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.531 -7.199 -1.606 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.336 -6.050 -2.073 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.641 -4.881 -1.765 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.452 -5.242 -0.492 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.285 -8.163 -1.039 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.394 -7.407 0.569 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.542 -8.687 0.108 1.00 1.00 H new ATOM 693 N ARG A 768 -4.416 -6.446 3.139 1.00 1.00 N ATOM 694 CA ARG A 768 -5.174 -5.628 4.084 1.00 1.00 C ATOM 695 C ARG A 768 -4.559 -4.240 3.960 1.00 1.00 C ATOM 696 O ARG A 768 -3.419 -4.057 4.386 1.00 1.00 O ATOM 697 CB ARG A 768 -5.027 -6.199 5.506 1.00 1.00 C ATOM 698 CG ARG A 768 -5.762 -5.374 6.571 1.00 1.00 C ATOM 699 CD ARG A 768 -5.361 -5.846 7.972 1.00 1.00 C ATOM 700 NE ARG A 768 -6.110 -5.125 9.009 1.00 1.00 N ATOM 701 CZ ARG A 768 -5.961 -5.260 10.329 1.00 1.00 C ATOM 702 NH1 ARG A 768 -5.001 -6.031 10.828 1.00 1.00 N ATOM 703 NH2 ARG A 768 -6.797 -4.626 11.140 1.00 1.00 N ATOM 0 H ARG A 768 -3.625 -6.936 3.557 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.244 -5.608 3.878 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.408 -7.220 5.521 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -3.969 -6.250 5.762 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.523 -4.317 6.453 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -6.839 -5.474 6.440 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -5.545 -6.916 8.065 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -4.292 -5.692 8.118 1.00 1.00 H new ATOM 0 HE ARG A 768 -6.812 -4.457 8.690 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -4.368 -6.528 10.201 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -4.897 -6.126 11.838 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -7.541 -4.045 10.753 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -6.696 -4.719 12.151 1.00 1.00 H new ATOM 717 N HIS A 769 -5.258 -3.277 3.369 1.00 1.00 N ATOM 718 CA HIS A 769 -4.795 -1.897 3.229 1.00 1.00 C ATOM 719 C HIS A 769 -5.459 -1.089 4.332 1.00 1.00 C ATOM 720 O HIS A 769 -6.669 -1.209 4.521 1.00 1.00 O ATOM 721 CB HIS A 769 -5.209 -1.313 1.858 1.00 1.00 C ATOM 722 CG HIS A 769 -6.619 -1.607 1.391 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.710 -0.758 1.364 1.00 1.00 N ATOM 724 CD2 HIS A 769 -7.021 -2.795 0.845 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.735 -1.431 0.815 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.380 -2.700 0.548 1.00 1.00 N ATOM 0 H HIS A 769 -6.181 -3.435 2.965 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.708 -1.860 3.298 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.082 -0.231 1.897 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.516 -1.688 1.105 1.00 1.00 H new ATOM 0 HD1 HIS A 769 -7.733 0.205 1.700 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.394 -3.658 0.674 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.710 -1.011 0.616 1.00 1.00 H new ATOM 734 N ASP A 770 -4.728 -0.247 5.046 1.00 1.00 N ATOM 735 CA ASP A 770 -5.311 0.650 6.048 1.00 1.00 C ATOM 736 C ASP A 770 -4.417 1.866 6.225 1.00 1.00 C ATOM 737 O ASP A 770 -3.223 1.772 5.954 1.00 1.00 O ATOM 738 CB ASP A 770 -5.472 -0.070 7.398 1.00 1.00 C ATOM 739 CG ASP A 770 -6.204 0.812 8.412 1.00 1.00 C ATOM 740 OD1 ASP A 770 -7.102 1.581 7.994 1.00 1.00 O ATOM 741 OD2 ASP A 770 -5.926 0.713 9.630 1.00 1.00 O ATOM 0 H ASP A 770 -3.716 -0.162 4.952 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.296 0.963 5.701 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -6.024 -0.999 7.254 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.491 -0.340 7.788 1.00 1.00 H new ATOM 746 N SER A 771 -4.941 2.994 6.699 1.00 1.00 N ATOM 747 CA SER A 771 -4.077 4.129 6.994 1.00 1.00 C ATOM 748 C SER A 771 -3.738 3.971 8.465 1.00 1.00 C ATOM 749 O SER A 771 -4.545 3.474 9.253 1.00 1.00 O ATOM 750 CB SER A 771 -4.734 5.475 6.742 1.00 1.00 C ATOM 751 OG SER A 771 -5.177 5.603 5.400 1.00 1.00 O ATOM 0 H SER A 771 -5.933 3.144 6.883 1.00 1.00 H new ATOM 0 HA SER A 771 -3.204 4.126 6.341 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.581 5.598 7.417 1.00 1.00 H new ATOM 0 HB3 SER A 771 -4.027 6.273 6.969 1.00 1.00 H new ATOM 0 HG SER A 771 -5.596 6.480 5.276 1.00 1.00 H new ATOM 757 N SER A 772 -2.572 4.448 8.851 1.00 1.00 N ATOM 758 CA SER A 772 -2.022 4.280 10.185 1.00 1.00 C ATOM 759 C SER A 772 -1.255 5.523 10.618 1.00 1.00 C ATOM 760 O SER A 772 -1.028 6.435 9.824 1.00 1.00 O ATOM 761 CB SER A 772 -1.143 3.023 10.181 1.00 1.00 C ATOM 762 OG SER A 772 -1.852 1.898 9.676 1.00 1.00 O ATOM 0 H SER A 772 -1.962 4.979 8.229 1.00 1.00 H new ATOM 0 HA SER A 772 -2.822 4.152 10.914 1.00 1.00 H new ATOM 0 HB2 SER A 772 -0.256 3.199 9.573 1.00 1.00 H new ATOM 0 HB3 SER A 772 -0.799 2.814 11.194 1.00 1.00 H new ATOM 0 HG SER A 772 -1.313 1.453 8.989 1.00 1.00 H new ATOM 768 N GLY A 773 -0.937 5.603 11.905 1.00 1.00 N ATOM 769 CA GLY A 773 -0.165 6.659 12.531 1.00 1.00 C ATOM 770 C GLY A 773 -1.055 7.339 13.544 1.00 1.00 C ATOM 771 O GLY A 773 -2.219 7.624 13.272 1.00 1.00 O ATOM 0 H GLY A 773 -1.230 4.890 12.573 1.00 1.00 H new ATOM 0 HA2 GLY A 773 0.722 6.249 13.015 1.00 1.00 H new ATOM 0 HA3 GLY A 773 0.181 7.374 11.785 1.00 1.00 H new ATOM 775 N GLU A 774 -0.493 7.595 14.713 1.00 1.00 N ATOM 776 CA GLU A 774 -1.201 8.145 15.858 1.00 1.00 C ATOM 777 C GLU A 774 -1.134 9.672 15.814 1.00 1.00 C ATOM 778 O GLU A 774 -2.161 10.350 15.729 1.00 1.00 O ATOM 779 CB GLU A 774 -0.566 7.545 17.120 1.00 1.00 C ATOM 780 CG GLU A 774 -1.181 8.067 18.419 1.00 1.00 C ATOM 781 CD GLU A 774 -0.569 7.345 19.612 1.00 1.00 C ATOM 782 OE1 GLU A 774 0.605 7.634 19.947 1.00 1.00 O ATOM 783 OE2 GLU A 774 -1.248 6.450 20.171 1.00 1.00 O ATOM 0 H GLU A 774 0.495 7.422 14.898 1.00 1.00 H new ATOM 0 HA GLU A 774 -2.260 7.888 15.851 1.00 1.00 H new ATOM 0 HB2 GLU A 774 -0.669 6.460 17.089 1.00 1.00 H new ATOM 0 HB3 GLU A 774 0.502 7.764 17.119 1.00 1.00 H new ATOM 0 HG2 GLU A 774 -1.010 9.140 18.506 1.00 1.00 H new ATOM 0 HG3 GLU A 774 -2.260 7.916 18.406 1.00 1.00 H new ATOM 790 N GLY A 775 0.077 10.221 15.867 1.00 1.00 N ATOM 791 CA GLY A 775 0.352 11.644 15.826 1.00 1.00 C ATOM 792 C GLY A 775 0.273 12.171 14.399 1.00 1.00 C ATOM 793 O GLY A 775 -0.361 11.582 13.518 1.00 1.00 O ATOM 0 H GLY A 775 0.924 9.658 15.943 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -0.363 12.175 16.454 1.00 1.00 H new ATOM 0 HA3 GLY A 775 1.343 11.839 16.236 1.00 1.00 H new ATOM 797 N LYS A 776 0.929 13.302 14.161 1.00 1.00 N ATOM 798 CA LYS A 776 0.943 14.047 12.907 1.00 1.00 C ATOM 799 C LYS A 776 1.813 13.376 11.838 1.00 1.00 C ATOM 800 O LYS A 776 2.387 14.047 10.977 1.00 1.00 O ATOM 801 CB LYS A 776 1.370 15.496 13.216 1.00 1.00 C ATOM 802 CG LYS A 776 0.230 16.312 13.844 1.00 1.00 C ATOM 803 CD LYS A 776 0.021 16.158 15.357 1.00 1.00 C ATOM 804 CE LYS A 776 -1.158 17.050 15.756 1.00 1.00 C ATOM 805 NZ LYS A 776 -1.257 17.280 17.209 1.00 1.00 N ATOM 0 H LYS A 776 1.498 13.749 14.880 1.00 1.00 H new ATOM 0 HA LYS A 776 -0.057 14.057 12.473 1.00 1.00 H new ATOM 0 HB2 LYS A 776 2.224 15.485 13.894 1.00 1.00 H new ATOM 0 HB3 LYS A 776 1.699 15.981 12.297 1.00 1.00 H new ATOM 0 HG2 LYS A 776 0.409 17.366 13.631 1.00 1.00 H new ATOM 0 HG3 LYS A 776 -0.699 16.039 13.343 1.00 1.00 H new ATOM 0 HD2 LYS A 776 -0.183 15.118 15.611 1.00 1.00 H new ATOM 0 HD3 LYS A 776 0.921 16.448 15.899 1.00 1.00 H new ATOM 0 HE2 LYS A 776 -1.064 18.011 15.250 1.00 1.00 H new ATOM 0 HE3 LYS A 776 -2.084 16.594 15.405 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 -2.075 17.890 17.409 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 -1.377 16.370 17.697 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 -0.389 17.742 17.547 1.00 1.00 H new ATOM 818 N ARG A 777 1.930 12.048 11.855 1.00 1.00 N ATOM 819 CA ARG A 777 2.665 11.265 10.871 1.00 1.00 C ATOM 820 C ARG A 777 1.756 10.150 10.383 1.00 1.00 C ATOM 821 O ARG A 777 2.004 8.975 10.668 1.00 1.00 O ATOM 822 CB ARG A 777 3.999 10.757 11.431 1.00 1.00 C ATOM 823 CG ARG A 777 4.923 11.868 11.951 1.00 1.00 C ATOM 824 CD ARG A 777 6.390 11.436 11.919 1.00 1.00 C ATOM 825 NE ARG A 777 6.662 10.226 12.713 1.00 1.00 N ATOM 826 CZ ARG A 777 7.836 9.584 12.732 1.00 1.00 C ATOM 827 NH1 ARG A 777 8.846 10.005 11.979 1.00 1.00 N ATOM 828 NH2 ARG A 777 7.999 8.532 13.518 1.00 1.00 N ATOM 0 H ARG A 777 1.500 11.472 12.579 1.00 1.00 H new ATOM 0 HA ARG A 777 2.940 11.889 10.021 1.00 1.00 H new ATOM 0 HB2 ARG A 777 3.798 10.057 12.242 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.520 10.201 10.652 1.00 1.00 H new ATOM 0 HG2 ARG A 777 4.793 12.764 11.345 1.00 1.00 H new ATOM 0 HG3 ARG A 777 4.642 12.129 12.971 1.00 1.00 H new ATOM 0 HD2 ARG A 777 6.686 11.257 10.885 1.00 1.00 H new ATOM 0 HD3 ARG A 777 7.009 12.252 12.291 1.00 1.00 H new ATOM 0 HE ARG A 777 5.906 9.853 13.286 1.00 1.00 H new ATOM 0 HH11 ARG A 777 8.730 10.823 11.381 1.00 1.00 H new ATOM 0 HH12 ARG A 777 9.738 9.510 11.999 1.00 1.00 H new ATOM 0 HH21 ARG A 777 7.231 8.212 14.108 1.00 1.00 H new ATOM 0 HH22 ARG A 777 8.893 8.041 13.534 1.00 1.00 H new ATOM 842 N ARG A 778 0.656 10.523 9.724 1.00 1.00 N ATOM 843 CA ARG A 778 -0.238 9.550 9.104 1.00 1.00 C ATOM 844 C ARG A 778 0.565 8.837 8.013 1.00 1.00 C ATOM 845 O ARG A 778 1.521 9.398 7.485 1.00 1.00 O ATOM 846 CB ARG A 778 -1.462 10.257 8.486 1.00 1.00 C ATOM 847 CG ARG A 778 -2.676 9.323 8.273 1.00 1.00 C ATOM 848 CD ARG A 778 -3.891 9.610 9.176 1.00 1.00 C ATOM 849 NE ARG A 778 -3.580 9.532 10.613 1.00 1.00 N ATOM 850 CZ ARG A 778 -3.227 10.544 11.419 1.00 1.00 C ATOM 851 NH1 ARG A 778 -3.298 11.810 11.014 1.00 1.00 N ATOM 852 NH2 ARG A 778 -2.770 10.280 12.633 1.00 1.00 N ATOM 0 H ARG A 778 0.365 11.494 9.608 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.608 8.841 9.845 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.759 11.083 9.133 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -1.175 10.690 7.528 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -2.992 9.396 7.232 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.356 8.294 8.438 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -4.277 10.603 8.948 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -4.684 8.899 8.944 1.00 1.00 H new ATOM 0 HE ARG A 778 -3.639 8.608 11.042 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -3.626 12.027 10.073 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -3.024 12.563 11.645 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -2.689 9.313 12.948 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -2.499 11.043 13.253 1.00 1.00 H new ATOM 866 N PHE A 779 0.181 7.631 7.635 1.00 1.00 N ATOM 867 CA PHE A 779 0.775 6.882 6.543 1.00 1.00 C ATOM 868 C PHE A 779 -0.264 5.881 6.038 1.00 1.00 C ATOM 869 O PHE A 779 -1.373 5.804 6.574 1.00 1.00 O ATOM 870 CB PHE A 779 2.105 6.249 6.987 1.00 1.00 C ATOM 871 CG PHE A 779 2.061 5.227 8.103 1.00 1.00 C ATOM 872 CD1 PHE A 779 1.978 5.648 9.444 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.240 3.862 7.814 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.074 4.718 10.491 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.335 2.934 8.864 1.00 1.00 C ATOM 876 CZ PHE A 779 2.240 3.357 10.198 1.00 1.00 C ATOM 0 H PHE A 779 -0.579 7.130 8.096 1.00 1.00 H new ATOM 0 HA PHE A 779 1.039 7.529 5.707 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.558 5.775 6.116 1.00 1.00 H new ATOM 0 HB3 PHE A 779 2.773 7.053 7.295 1.00 1.00 H new ATOM 0 HD1 PHE A 779 1.839 6.695 9.669 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.304 3.529 6.789 1.00 1.00 H new ATOM 0 HE1 PHE A 779 2.020 5.049 11.518 1.00 1.00 H new ATOM 0 HE2 PHE A 779 2.482 1.887 8.643 1.00 1.00 H new ATOM 0 HZ PHE A 779 2.295 2.635 10.999 1.00 1.00 H new ATOM 886 N ILE A 780 0.077 5.145 4.989 1.00 1.00 N ATOM 887 CA ILE A 780 -0.700 4.077 4.377 1.00 1.00 C ATOM 888 C ILE A 780 0.062 2.772 4.541 1.00 1.00 C ATOM 889 O ILE A 780 1.225 2.666 4.175 1.00 1.00 O ATOM 890 CB ILE A 780 -1.161 4.466 2.952 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.729 3.284 2.136 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.179 5.335 2.158 1.00 1.00 C ATOM 893 CD1 ILE A 780 -3.032 2.715 2.673 1.00 1.00 C ATOM 0 H ILE A 780 0.966 5.289 4.510 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.651 3.914 4.884 1.00 1.00 H new ATOM 0 HB ILE A 780 -2.005 5.131 3.137 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -1.886 3.611 1.108 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -0.985 2.488 2.107 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.597 5.551 1.175 1.00 1.00 H new ATOM 0 HG22 ILE A 780 -0.006 6.269 2.692 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.766 4.803 2.042 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.357 1.890 2.039 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -2.879 2.353 3.690 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -3.795 3.493 2.676 1.00 1.00 H new ATOM 905 N THR A 781 -0.585 1.792 5.142 1.00 1.00 N ATOM 906 CA THR A 781 -0.051 0.481 5.441 1.00 1.00 C ATOM 907 C THR A 781 -0.768 -0.529 4.561 1.00 1.00 C ATOM 908 O THR A 781 -1.972 -0.414 4.318 1.00 1.00 O ATOM 909 CB THR A 781 -0.379 0.121 6.907 1.00 1.00 C ATOM 910 OG1 THR A 781 0.081 1.104 7.810 1.00 1.00 O ATOM 911 CG2 THR A 781 0.219 -1.230 7.320 1.00 1.00 C ATOM 0 H THR A 781 -1.551 1.897 5.451 1.00 1.00 H new ATOM 0 HA THR A 781 1.026 0.472 5.274 1.00 1.00 H new ATOM 0 HB THR A 781 -1.466 0.064 6.954 1.00 1.00 H new ATOM 0 HG1 THR A 781 1.011 1.331 7.600 1.00 1.00 H new ATOM 0 HG21 THR A 781 -0.038 -1.440 8.358 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.183 -2.016 6.681 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.303 -1.195 7.215 1.00 1.00 H new ATOM 919 N VAL A 782 -0.043 -1.532 4.089 1.00 1.00 N ATOM 920 CA VAL A 782 -0.626 -2.631 3.348 1.00 1.00 C ATOM 921 C VAL A 782 0.068 -3.878 3.887 1.00 1.00 C ATOM 922 O VAL A 782 1.287 -3.883 4.058 1.00 1.00 O ATOM 923 CB VAL A 782 -0.537 -2.472 1.822 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.584 -1.501 1.278 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.802 -1.947 1.335 1.00 1.00 C ATOM 0 H VAL A 782 0.967 -1.603 4.211 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.704 -2.684 3.499 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.697 -3.486 1.457 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.480 -1.423 0.196 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.581 -1.867 1.521 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.438 -0.519 1.728 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.786 -1.862 0.248 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.989 -0.966 1.773 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.593 -2.635 1.634 1.00 1.00 H new ATOM 935 N SER A 783 -0.702 -4.916 4.185 1.00 1.00 N ATOM 936 CA SER A 783 -0.222 -6.185 4.721 1.00 1.00 C ATOM 937 C SER A 783 -0.599 -7.295 3.754 1.00 1.00 C ATOM 938 O SER A 783 -1.553 -7.138 2.994 1.00 1.00 O ATOM 939 CB SER A 783 -0.814 -6.451 6.104 1.00 1.00 C ATOM 940 OG SER A 783 -0.534 -5.394 7.006 1.00 1.00 O ATOM 0 H SER A 783 -1.714 -4.898 4.056 1.00 1.00 H new ATOM 0 HA SER A 783 0.862 -6.146 4.832 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.893 -6.581 6.019 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.411 -7.383 6.499 1.00 1.00 H new ATOM 0 HG SER A 783 -0.929 -5.596 7.880 1.00 1.00 H new ATOM 946 N LYS A 784 0.145 -8.398 3.772 1.00 1.00 N ATOM 947 CA LYS A 784 -0.022 -9.554 2.899 1.00 1.00 C ATOM 948 C LYS A 784 -0.767 -10.719 3.499 1.00 1.00 C ATOM 949 O LYS A 784 -0.390 -11.174 4.581 1.00 1.00 O ATOM 950 CB LYS A 784 1.352 -10.087 2.448 1.00 1.00 C ATOM 951 CG LYS A 784 1.945 -9.321 1.265 1.00 1.00 C ATOM 952 CD LYS A 784 1.675 -9.977 -0.108 1.00 1.00 C ATOM 953 CE LYS A 784 0.416 -10.860 -0.259 1.00 1.00 C ATOM 954 NZ LYS A 784 0.666 -12.265 0.120 1.00 1.00 N ATOM 0 H LYS A 784 0.918 -8.514 4.428 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.622 -9.172 2.073 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.046 -10.037 3.287 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.254 -11.138 2.178 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.538 -8.310 1.259 1.00 1.00 H new ATOM 0 HG3 LYS A 784 3.022 -9.230 1.407 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.615 -9.182 -0.851 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.542 -10.587 -0.362 1.00 1.00 H new ATOM 0 HE2 LYS A 784 -0.384 -10.456 0.361 1.00 1.00 H new ATOM 0 HE3 LYS A 784 0.070 -10.821 -1.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 -0.166 -12.644 0.615 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 0.847 -12.828 -0.735 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 1.494 -12.313 0.748 1.00 1.00 H new ATOM 967 N ARG A 785 -1.816 -11.204 2.824 1.00 1.00 N ATOM 968 CA ARG A 785 -2.453 -12.415 3.322 1.00 1.00 C ATOM 969 C ARG A 785 -1.450 -13.484 2.872 1.00 1.00 C ATOM 970 O ARG A 785 -1.229 -13.611 1.666 1.00 1.00 O ATOM 971 CB ARG A 785 -3.811 -12.659 2.660 1.00 1.00 C ATOM 972 CG ARG A 785 -4.888 -11.632 3.014 1.00 1.00 C ATOM 973 CD ARG A 785 -6.217 -12.129 2.432 1.00 1.00 C ATOM 974 NE ARG A 785 -7.200 -11.062 2.206 1.00 1.00 N ATOM 975 CZ ARG A 785 -7.823 -10.293 3.101 1.00 1.00 C ATOM 976 NH1 ARG A 785 -7.597 -10.406 4.405 1.00 1.00 N ATOM 977 NH2 ARG A 785 -8.695 -9.389 2.687 1.00 1.00 N ATOM 0 H ARG A 785 -2.220 -10.800 1.979 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.658 -12.390 4.392 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -3.677 -12.666 1.578 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.166 -13.650 2.944 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -4.964 -11.515 4.095 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.633 -10.654 2.605 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -6.022 -12.637 1.487 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.646 -12.868 3.109 1.00 1.00 H new ATOM 0 HE ARG A 785 -7.440 -10.884 1.231 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -6.930 -11.097 4.749 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -8.091 -9.802 5.062 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -8.887 -9.284 1.691 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -9.176 -8.797 3.364 1.00 1.00 H new ATOM 991 N ALA A 786 -0.774 -14.155 3.807 1.00 1.00 N ATOM 992 CA ALA A 786 0.272 -15.118 3.493 1.00 1.00 C ATOM 993 C ALA A 786 -0.303 -16.251 2.663 1.00 1.00 C ATOM 994 O ALA A 786 0.379 -16.718 1.730 1.00 1.00 O ATOM 995 CB ALA A 786 0.914 -15.645 4.780 1.00 1.00 C ATOM 0 H ALA A 786 -0.941 -14.042 4.807 1.00 1.00 H new ATOM 0 HA ALA A 786 1.050 -14.626 2.909 1.00 1.00 H new ATOM 0 HB1 ALA A 786 1.694 -16.364 4.530 1.00 1.00 H new ATOM 0 HB2 ALA A 786 1.350 -14.815 5.335 1.00 1.00 H new ATOM 0 HB3 ALA A 786 0.155 -16.132 5.392 1.00 1.00 H new TER 1001 ALA A 786