USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=14 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 168:sc= 0.993 USER MOD Set 1.2: A 781 THR OG1 : rot 180:sc= 0.889 USER MOD Single : A 728 HIS : no HD1:sc=-0.00411 X(o=-0.0041,f=-0.0041) USER MOD Single : A 732 MET CE :methyl 170:sc= 0 (180deg=-0.103) USER MOD Single : A 737 MET CE :methyl -175:sc= -0.117 (180deg=-0.139) USER MOD Single : A 739 SER OG : rot 180:sc= -0.0668 USER MOD Single : A 740 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0647) USER MOD Single : A 741 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl 166:sc= -0.829 (180deg=-1.03) USER MOD Single : A 743 GLN :FLIP amide:sc= -0.49 F(o=-1.2,f=-0.49) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0719 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 759 HIS : no HE2:sc= -0.185 K(o=-0.19,f=-8!) USER MOD Single : A 760 GLN : amide:sc= 0.163 K(o=0.16,f=-0.44) USER MOD Single : A 765 HIS : no HD1:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 769 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.031) 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+ -154:sc= -1.11 (180deg=-2.34) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 727 2.096 3.747 -11.852 1.00 1.00 N ATOM 25 CA ASP A 727 2.586 2.408 -12.180 1.00 1.00 C ATOM 26 C ASP A 727 3.813 2.019 -11.356 1.00 1.00 C ATOM 27 O ASP A 727 3.967 0.850 -11.017 1.00 1.00 O ATOM 28 CB ASP A 727 2.916 2.318 -13.671 1.00 1.00 C ATOM 29 CG ASP A 727 3.062 0.854 -14.077 1.00 1.00 C ATOM 30 OD1 ASP A 727 2.012 0.185 -14.226 1.00 1.00 O ATOM 31 OD2 ASP A 727 4.207 0.383 -14.271 1.00 1.00 O ATOM 0 HA ASP A 727 1.789 1.706 -11.934 1.00 1.00 H new ATOM 0 HB2 ASP A 727 2.128 2.791 -14.257 1.00 1.00 H new ATOM 0 HB3 ASP A 727 3.839 2.858 -13.883 1.00 1.00 H new ATOM 36 N HIS A 728 4.639 2.985 -10.933 1.00 1.00 N ATOM 37 CA HIS A 728 5.782 2.719 -10.055 1.00 1.00 C ATOM 38 C HIS A 728 5.300 2.033 -8.773 1.00 1.00 C ATOM 39 O HIS A 728 5.920 1.086 -8.285 1.00 1.00 O ATOM 40 CB HIS A 728 6.513 4.032 -9.725 1.00 1.00 C ATOM 41 CG HIS A 728 7.063 4.777 -10.917 1.00 1.00 C ATOM 42 ND1 HIS A 728 7.264 6.140 -10.991 1.00 1.00 N ATOM 43 CD2 HIS A 728 7.456 4.234 -12.112 1.00 1.00 C ATOM 44 CE1 HIS A 728 7.772 6.418 -12.202 1.00 1.00 C ATOM 45 NE2 HIS A 728 7.903 5.287 -12.918 1.00 1.00 N ATOM 0 H HIS A 728 4.533 3.967 -11.189 1.00 1.00 H new ATOM 0 HA HIS A 728 6.481 2.057 -10.565 1.00 1.00 H new ATOM 0 HB2 HIS A 728 5.825 4.688 -9.192 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.335 3.811 -9.044 1.00 1.00 H new ATOM 0 HD2 HIS A 728 7.426 3.189 -12.382 1.00 1.00 H new ATOM 0 HE1 HIS A 728 8.037 7.405 -12.550 1.00 1.00 H new ATOM 0 HE2 HIS A 728 8.261 5.211 -13.870 1.00 1.00 H new ATOM 53 N PHE A 729 4.157 2.497 -8.257 1.00 1.00 N ATOM 54 CA PHE A 729 3.488 1.906 -7.112 1.00 1.00 C ATOM 55 C PHE A 729 3.080 0.479 -7.421 1.00 1.00 C ATOM 56 O PHE A 729 3.367 -0.400 -6.622 1.00 1.00 O ATOM 57 CB PHE A 729 2.262 2.734 -6.725 1.00 1.00 C ATOM 58 CG PHE A 729 2.664 4.087 -6.202 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.129 4.197 -4.882 1.00 1.00 C ATOM 60 CD2 PHE A 729 2.677 5.206 -7.055 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.619 5.423 -4.415 1.00 1.00 C ATOM 62 CE2 PHE A 729 3.142 6.440 -6.577 1.00 1.00 C ATOM 63 CZ PHE A 729 3.614 6.549 -5.259 1.00 1.00 C ATOM 0 H PHE A 729 3.669 3.308 -8.636 1.00 1.00 H new ATOM 0 HA PHE A 729 4.182 1.898 -6.271 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.612 2.854 -7.592 1.00 1.00 H new ATOM 0 HB3 PHE A 729 1.686 2.204 -5.966 1.00 1.00 H new ATOM 0 HD1 PHE A 729 3.109 3.338 -4.228 1.00 1.00 H new ATOM 0 HD2 PHE A 729 2.330 5.115 -8.074 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.000 5.504 -3.408 1.00 1.00 H new ATOM 0 HE2 PHE A 729 3.137 7.306 -7.222 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.974 7.499 -4.892 1.00 1.00 H new ATOM 73 N ARG A 730 2.439 0.231 -8.566 1.00 1.00 N ATOM 74 CA ARG A 730 2.009 -1.110 -8.942 1.00 1.00 C ATOM 75 C ARG A 730 3.203 -2.058 -8.914 1.00 1.00 C ATOM 76 O ARG A 730 3.082 -3.148 -8.363 1.00 1.00 O ATOM 77 CB ARG A 730 1.345 -1.071 -10.342 1.00 1.00 C ATOM 78 CG ARG A 730 0.890 -2.429 -10.911 1.00 1.00 C ATOM 79 CD ARG A 730 0.972 -2.461 -12.444 1.00 1.00 C ATOM 80 NE ARG A 730 0.693 -3.809 -12.969 1.00 1.00 N ATOM 81 CZ ARG A 730 -0.500 -4.398 -13.094 1.00 1.00 C ATOM 82 NH1 ARG A 730 -1.620 -3.696 -12.974 1.00 1.00 N ATOM 83 NH2 ARG A 730 -0.558 -5.701 -13.341 1.00 1.00 N ATOM 0 H ARG A 730 2.207 0.950 -9.251 1.00 1.00 H new ATOM 0 HA ARG A 730 1.271 -1.478 -8.229 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.479 -0.411 -10.293 1.00 1.00 H new ATOM 0 HB3 ARG A 730 2.048 -0.623 -11.044 1.00 1.00 H new ATOM 0 HG2 ARG A 730 1.511 -3.223 -10.497 1.00 1.00 H new ATOM 0 HG3 ARG A 730 -0.134 -2.630 -10.597 1.00 1.00 H new ATOM 0 HD2 ARG A 730 0.259 -1.751 -12.863 1.00 1.00 H new ATOM 0 HD3 ARG A 730 1.964 -2.143 -12.764 1.00 1.00 H new ATOM 0 HE ARG A 730 1.501 -4.354 -13.271 1.00 1.00 H new ATOM 0 HH11 ARG A 730 -1.576 -2.695 -12.784 1.00 1.00 H new ATOM 0 HH12 ARG A 730 -2.524 -4.158 -13.072 1.00 1.00 H new ATOM 0 HH21 ARG A 730 0.302 -6.241 -13.433 1.00 1.00 H new ATOM 0 HH22 ARG A 730 -1.463 -6.162 -13.438 1.00 1.00 H new ATOM 97 N ALA A 731 4.349 -1.662 -9.467 1.00 1.00 N ATOM 98 CA ALA A 731 5.534 -2.501 -9.419 1.00 1.00 C ATOM 99 C ALA A 731 6.014 -2.717 -7.984 1.00 1.00 C ATOM 100 O ALA A 731 6.362 -3.848 -7.659 1.00 1.00 O ATOM 101 CB ALA A 731 6.621 -1.921 -10.319 1.00 1.00 C ATOM 0 H ALA A 731 4.477 -0.772 -9.949 1.00 1.00 H new ATOM 0 HA ALA A 731 5.279 -3.489 -9.801 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.506 -2.556 -10.277 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.257 -1.874 -11.345 1.00 1.00 H new ATOM 0 HB3 ALA A 731 6.878 -0.918 -9.979 1.00 1.00 H new ATOM 107 N MET A 732 5.995 -1.702 -7.107 1.00 1.00 N ATOM 108 CA MET A 732 6.338 -1.907 -5.702 1.00 1.00 C ATOM 109 C MET A 732 5.405 -2.945 -5.078 1.00 1.00 C ATOM 110 O MET A 732 5.867 -3.857 -4.396 1.00 1.00 O ATOM 111 CB MET A 732 6.237 -0.614 -4.891 1.00 1.00 C ATOM 112 CG MET A 732 7.358 0.387 -5.153 1.00 1.00 C ATOM 113 SD MET A 732 7.223 1.903 -4.163 1.00 1.00 S ATOM 114 CE MET A 732 7.670 1.273 -2.519 1.00 1.00 C ATOM 0 H MET A 732 5.748 -0.742 -7.348 1.00 1.00 H new ATOM 0 HA MET A 732 7.371 -2.255 -5.675 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.282 -0.136 -5.110 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.232 -0.865 -3.830 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.316 -0.090 -4.944 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.358 0.652 -6.210 1.00 1.00 H new ATOM 0 HE1 MET A 732 7.807 2.109 -1.834 1.00 1.00 H new ATOM 0 HE2 MET A 732 6.874 0.627 -2.148 1.00 1.00 H new ATOM 0 HE3 MET A 732 8.597 0.704 -2.587 1.00 1.00 H new ATOM 124 N ILE A 733 4.091 -2.811 -5.283 1.00 1.00 N ATOM 125 CA ILE A 733 3.136 -3.735 -4.684 1.00 1.00 C ATOM 126 C ILE A 733 3.312 -5.136 -5.267 1.00 1.00 C ATOM 127 O ILE A 733 3.213 -6.108 -4.530 1.00 1.00 O ATOM 128 CB ILE A 733 1.673 -3.230 -4.727 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.575 -1.743 -4.325 1.00 1.00 C ATOM 130 CG2 ILE A 733 0.838 -4.102 -3.767 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.303 -1.223 -3.666 1.00 1.00 C ATOM 0 H ILE A 733 3.672 -2.077 -5.854 1.00 1.00 H new ATOM 0 HA ILE A 733 3.362 -3.791 -3.619 1.00 1.00 H new ATOM 0 HB ILE A 733 1.293 -3.310 -5.745 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.402 -1.533 -3.647 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.742 -1.150 -5.225 1.00 1.00 H new ATOM 0 HG21 ILE A 733 -0.199 -3.766 -3.779 1.00 1.00 H new ATOM 0 HG22 ILE A 733 0.886 -5.143 -4.086 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.236 -4.014 -2.756 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.412 -0.159 -3.453 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.542 -1.374 -4.337 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.128 -1.763 -2.735 1.00 1.00 H new ATOM 143 N VAL A 734 3.610 -5.275 -6.554 1.00 1.00 N ATOM 144 CA VAL A 734 3.888 -6.580 -7.146 1.00 1.00 C ATOM 145 C VAL A 734 5.179 -7.162 -6.567 1.00 1.00 C ATOM 146 O VAL A 734 5.228 -8.360 -6.287 1.00 1.00 O ATOM 147 CB VAL A 734 3.850 -6.479 -8.677 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.361 -7.735 -9.375 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.395 -6.280 -9.117 1.00 1.00 C ATOM 0 H VAL A 734 3.666 -4.496 -7.211 1.00 1.00 H new ATOM 0 HA VAL A 734 3.110 -7.297 -6.882 1.00 1.00 H new ATOM 0 HB VAL A 734 4.496 -5.646 -8.954 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.308 -7.598 -10.455 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.395 -7.918 -9.083 1.00 1.00 H new ATOM 0 HG13 VAL A 734 3.746 -8.587 -9.086 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.350 -6.206 -10.204 1.00 1.00 H new ATOM 0 HG22 VAL A 734 1.796 -7.128 -8.786 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.003 -5.364 -8.675 1.00 1.00 H new ATOM 159 N GLU A 735 6.208 -6.348 -6.323 1.00 1.00 N ATOM 160 CA GLU A 735 7.414 -6.826 -5.669 1.00 1.00 C ATOM 161 C GLU A 735 7.041 -7.308 -4.260 1.00 1.00 C ATOM 162 O GLU A 735 7.519 -8.357 -3.834 1.00 1.00 O ATOM 163 CB GLU A 735 8.504 -5.742 -5.684 1.00 1.00 C ATOM 164 CG GLU A 735 9.788 -6.243 -5.011 1.00 1.00 C ATOM 165 CD GLU A 735 11.009 -5.408 -5.391 1.00 1.00 C ATOM 166 OE1 GLU A 735 11.261 -4.354 -4.755 1.00 1.00 O ATOM 167 OE2 GLU A 735 11.755 -5.821 -6.310 1.00 1.00 O ATOM 0 H GLU A 735 6.225 -5.359 -6.570 1.00 1.00 H new ATOM 0 HA GLU A 735 7.842 -7.672 -6.207 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.718 -5.451 -6.712 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.143 -4.852 -5.169 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.660 -6.222 -3.929 1.00 1.00 H new ATOM 0 HG3 GLU A 735 9.960 -7.282 -5.292 1.00 1.00 H new ATOM 174 N PHE A 736 6.148 -6.598 -3.564 1.00 1.00 N ATOM 175 CA PHE A 736 5.611 -6.979 -2.263 1.00 1.00 C ATOM 176 C PHE A 736 4.783 -8.271 -2.358 1.00 1.00 C ATOM 177 O PHE A 736 4.871 -9.080 -1.438 1.00 1.00 O ATOM 178 CB PHE A 736 4.832 -5.793 -1.678 1.00 1.00 C ATOM 179 CG PHE A 736 4.166 -5.969 -0.323 1.00 1.00 C ATOM 180 CD1 PHE A 736 4.873 -6.467 0.792 1.00 1.00 C ATOM 181 CD2 PHE A 736 2.833 -5.537 -0.162 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.232 -6.547 2.042 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.201 -5.604 1.088 1.00 1.00 C ATOM 184 CZ PHE A 736 2.898 -6.129 2.183 1.00 1.00 C ATOM 0 H PHE A 736 5.770 -5.714 -3.905 1.00 1.00 H new ATOM 0 HA PHE A 736 6.424 -7.211 -1.576 1.00 1.00 H new ATOM 0 HB2 PHE A 736 5.517 -4.948 -1.605 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.059 -5.516 -2.395 1.00 1.00 H new ATOM 0 HD1 PHE A 736 5.900 -6.785 0.687 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.292 -5.150 -1.013 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.768 -6.932 2.897 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.186 -5.254 1.205 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.407 -6.213 3.141 1.00 1.00 H new ATOM 194 N MET A 737 4.032 -8.514 -3.442 1.00 1.00 N ATOM 195 CA MET A 737 3.299 -9.764 -3.679 1.00 1.00 C ATOM 196 C MET A 737 4.310 -10.902 -3.743 1.00 1.00 C ATOM 197 O MET A 737 4.207 -11.859 -2.975 1.00 1.00 O ATOM 198 CB MET A 737 2.443 -9.735 -4.964 1.00 1.00 C ATOM 199 CG MET A 737 1.235 -8.788 -4.938 1.00 1.00 C ATOM 200 SD MET A 737 -0.009 -9.081 -3.653 1.00 1.00 S ATOM 201 CE MET A 737 -0.684 -10.671 -4.205 1.00 1.00 C ATOM 0 H MET A 737 3.916 -7.833 -4.193 1.00 1.00 H new ATOM 0 HA MET A 737 2.597 -9.906 -2.857 1.00 1.00 H new ATOM 0 HB2 MET A 737 3.084 -9.453 -5.799 1.00 1.00 H new ATOM 0 HB3 MET A 737 2.085 -10.745 -5.163 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.605 -7.769 -4.826 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.740 -8.842 -5.908 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.525 -10.950 -3.570 1.00 1.00 H new ATOM 0 HE2 MET A 737 -1.023 -10.584 -5.237 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.089 -11.437 -4.140 1.00 1.00 H new ATOM 211 N ALA A 738 5.303 -10.772 -4.624 1.00 1.00 N ATOM 212 CA ALA A 738 6.344 -11.764 -4.834 1.00 1.00 C ATOM 213 C ALA A 738 7.246 -11.958 -3.603 1.00 1.00 C ATOM 214 O ALA A 738 7.895 -12.998 -3.474 1.00 1.00 O ATOM 215 CB ALA A 738 7.166 -11.348 -6.057 1.00 1.00 C ATOM 0 H ALA A 738 5.403 -9.952 -5.223 1.00 1.00 H new ATOM 0 HA ALA A 738 5.869 -12.730 -5.004 1.00 1.00 H new ATOM 0 HB1 ALA A 738 7.954 -12.081 -6.232 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.517 -11.297 -6.931 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.613 -10.370 -5.879 1.00 1.00 H new ATOM 221 N SER A 739 7.336 -10.953 -2.731 1.00 1.00 N ATOM 222 CA SER A 739 8.151 -10.952 -1.528 1.00 1.00 C ATOM 223 C SER A 739 7.397 -11.592 -0.360 1.00 1.00 C ATOM 224 O SER A 739 7.965 -12.397 0.375 1.00 1.00 O ATOM 225 CB SER A 739 8.515 -9.494 -1.210 1.00 1.00 C ATOM 226 OG SER A 739 9.338 -9.380 -0.079 1.00 1.00 O ATOM 0 H SER A 739 6.818 -10.083 -2.854 1.00 1.00 H new ATOM 0 HA SER A 739 9.056 -11.539 -1.686 1.00 1.00 H new ATOM 0 HB2 SER A 739 9.021 -9.053 -2.069 1.00 1.00 H new ATOM 0 HB3 SER A 739 7.601 -8.921 -1.050 1.00 1.00 H new ATOM 0 HG SER A 739 9.544 -8.435 0.082 1.00 1.00 H new ATOM 232 N LYS A 740 6.134 -11.197 -0.170 1.00 1.00 N ATOM 233 CA LYS A 740 5.246 -11.573 0.923 1.00 1.00 C ATOM 234 C LYS A 740 5.939 -11.544 2.288 1.00 1.00 C ATOM 235 O LYS A 740 5.754 -12.449 3.094 1.00 1.00 O ATOM 236 CB LYS A 740 4.428 -12.835 0.598 1.00 1.00 C ATOM 237 CG LYS A 740 5.220 -14.147 0.504 1.00 1.00 C ATOM 238 CD LYS A 740 4.234 -15.302 0.295 1.00 1.00 C ATOM 239 CE LYS A 740 4.890 -16.674 0.448 1.00 1.00 C ATOM 240 NZ LYS A 740 5.284 -16.960 1.844 1.00 1.00 N ATOM 0 H LYS A 740 5.678 -10.562 -0.825 1.00 1.00 H new ATOM 0 HA LYS A 740 4.488 -10.796 1.022 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.659 -12.952 1.362 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.914 -12.676 -0.350 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.930 -14.102 -0.322 1.00 1.00 H new ATOM 0 HG3 LYS A 740 5.799 -14.305 1.414 1.00 1.00 H new ATOM 0 HD2 LYS A 740 3.418 -15.212 1.012 1.00 1.00 H new ATOM 0 HD3 LYS A 740 3.794 -15.223 -0.699 1.00 1.00 H new ATOM 0 HE2 LYS A 740 4.199 -17.444 0.104 1.00 1.00 H new ATOM 0 HE3 LYS A 740 5.770 -16.726 -0.193 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 5.614 -17.944 1.917 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 6.050 -16.316 2.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 4.466 -16.822 2.471 1.00 1.00 H new ATOM 253 N LYS A 741 6.650 -10.444 2.582 1.00 1.00 N ATOM 254 CA LYS A 741 7.303 -10.192 3.863 1.00 1.00 C ATOM 255 C LYS A 741 6.282 -10.342 4.979 1.00 1.00 C ATOM 256 O LYS A 741 6.300 -11.362 5.651 1.00 1.00 O ATOM 257 CB LYS A 741 7.977 -8.812 3.819 1.00 1.00 C ATOM 258 CG LYS A 741 9.339 -8.890 3.121 1.00 1.00 C ATOM 259 CD LYS A 741 10.470 -9.120 4.129 1.00 1.00 C ATOM 260 CE LYS A 741 11.816 -9.179 3.402 1.00 1.00 C ATOM 261 NZ LYS A 741 12.936 -9.307 4.352 1.00 1.00 N ATOM 0 H LYS A 741 6.786 -9.688 1.911 1.00 1.00 H new ATOM 0 HA LYS A 741 8.091 -10.918 4.062 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.334 -8.106 3.293 1.00 1.00 H new ATOM 0 HB3 LYS A 741 8.105 -8.433 4.833 1.00 1.00 H new ATOM 0 HG2 LYS A 741 9.330 -9.699 2.391 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.521 -7.967 2.571 1.00 1.00 H new ATOM 0 HD2 LYS A 741 10.480 -8.317 4.866 1.00 1.00 H new ATOM 0 HD3 LYS A 741 10.300 -10.049 4.673 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.823 -10.024 2.714 1.00 1.00 H new ATOM 0 HE3 LYS A 741 11.947 -8.278 2.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 13.833 -9.344 3.828 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 12.943 -8.488 4.993 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 12.823 -10.179 4.907 1.00 1.00 H new ATOM 274 N MET A 742 5.472 -9.316 5.218 1.00 1.00 N ATOM 275 CA MET A 742 4.341 -9.239 6.137 1.00 1.00 C ATOM 276 C MET A 742 3.580 -7.987 5.774 1.00 1.00 C ATOM 277 O MET A 742 2.472 -8.086 5.264 1.00 1.00 O ATOM 278 CB MET A 742 4.658 -9.269 7.643 1.00 1.00 C ATOM 279 CG MET A 742 4.891 -10.655 8.253 1.00 1.00 C ATOM 280 SD MET A 742 3.474 -11.800 8.133 1.00 1.00 S ATOM 281 CE MET A 742 3.846 -12.796 6.658 1.00 1.00 C ATOM 0 H MET A 742 5.603 -8.432 4.726 1.00 1.00 H new ATOM 0 HA MET A 742 3.764 -10.155 6.006 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.546 -8.662 7.819 1.00 1.00 H new ATOM 0 HB3 MET A 742 3.836 -8.793 8.177 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.750 -11.112 7.762 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.152 -10.533 9.304 1.00 1.00 H new ATOM 0 HE1 MET A 742 3.195 -13.670 6.635 1.00 1.00 H new ATOM 0 HE2 MET A 742 3.680 -12.197 5.763 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.886 -13.120 6.690 1.00 1.00 H new ATOM 291 N GLN A 743 4.198 -6.824 5.971 1.00 1.00 N ATOM 292 CA GLN A 743 3.596 -5.519 5.747 1.00 1.00 C ATOM 293 C GLN A 743 4.560 -4.620 4.982 1.00 1.00 C ATOM 294 O GLN A 743 5.773 -4.852 5.003 1.00 1.00 O ATOM 295 CB GLN A 743 3.133 -4.908 7.082 1.00 1.00 C ATOM 296 CG GLN A 743 4.240 -4.369 8.007 1.00 1.00 C ATOM 297 CD GLN A 743 5.249 -5.434 8.437 1.00 1.00 C ATOM 298 OE1 GLN A 743 6.352 -5.577 7.715 1.00 1.00 O flip ATOM 299 NE2 GLN A 743 5.023 -6.173 9.391 1.00 1.00 N flip ATOM 0 H GLN A 743 5.161 -6.766 6.301 1.00 1.00 H new ATOM 0 HA GLN A 743 2.706 -5.626 5.127 1.00 1.00 H new ATOM 0 HB2 GLN A 743 2.443 -4.093 6.864 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.570 -5.665 7.628 1.00 1.00 H new ATOM 0 HG2 GLN A 743 4.769 -3.564 7.496 1.00 1.00 H new ATOM 0 HG3 GLN A 743 3.781 -3.935 8.895 1.00 1.00 H new ATOM 0 HE21 GLN A 743 4.171 -6.053 9.939 1.00 1.00 H new ATOM 0 HE22 GLN A 743 5.687 -6.907 9.636 1.00 1.00 H new ATOM 308 N LEU A 744 4.034 -3.587 4.336 1.00 1.00 N ATOM 309 CA LEU A 744 4.774 -2.553 3.639 1.00 1.00 C ATOM 310 C LEU A 744 4.038 -1.259 3.966 1.00 1.00 C ATOM 311 O LEU A 744 2.805 -1.206 3.948 1.00 1.00 O ATOM 312 CB LEU A 744 4.825 -2.861 2.133 1.00 1.00 C ATOM 313 CG LEU A 744 5.891 -2.073 1.343 1.00 1.00 C ATOM 314 CD1 LEU A 744 6.051 -2.693 -0.047 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.581 -0.584 1.186 1.00 1.00 C ATOM 0 H LEU A 744 3.025 -3.444 4.284 1.00 1.00 H new ATOM 0 HA LEU A 744 5.817 -2.483 3.948 1.00 1.00 H new ATOM 0 HB2 LEU A 744 5.011 -3.927 2.001 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.846 -2.652 1.701 1.00 1.00 H new ATOM 0 HG LEU A 744 6.810 -2.141 1.925 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.803 -2.139 -0.608 1.00 1.00 H new ATOM 0 HD12 LEU A 744 6.365 -3.732 0.052 1.00 1.00 H new ATOM 0 HD13 LEU A 744 5.099 -2.650 -0.576 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.379 -0.104 0.619 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.636 -0.463 0.656 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.507 -0.122 2.170 1.00 1.00 H new ATOM 327 N GLU A 745 4.794 -0.240 4.338 1.00 1.00 N ATOM 328 CA GLU A 745 4.335 1.041 4.790 1.00 1.00 C ATOM 329 C GLU A 745 4.504 2.034 3.642 1.00 1.00 C ATOM 330 O GLU A 745 5.626 2.298 3.206 1.00 1.00 O ATOM 331 CB GLU A 745 5.209 1.396 5.993 1.00 1.00 C ATOM 332 CG GLU A 745 4.957 0.453 7.181 1.00 1.00 C ATOM 333 CD GLU A 745 6.006 0.634 8.272 1.00 1.00 C ATOM 334 OE1 GLU A 745 6.183 1.764 8.786 1.00 1.00 O ATOM 335 OE2 GLU A 745 6.669 -0.366 8.637 1.00 1.00 O ATOM 0 H GLU A 745 5.812 -0.301 4.328 1.00 1.00 H new ATOM 0 HA GLU A 745 3.285 1.053 5.083 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.259 1.346 5.706 1.00 1.00 H new ATOM 0 HB3 GLU A 745 5.010 2.424 6.296 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.966 0.643 7.593 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.966 -0.580 6.835 1.00 1.00 H new ATOM 342 N PHE A 746 3.394 2.545 3.114 1.00 1.00 N ATOM 343 CA PHE A 746 3.380 3.587 2.094 1.00 1.00 C ATOM 344 C PHE A 746 3.247 4.941 2.826 1.00 1.00 C ATOM 345 O PHE A 746 2.577 5.025 3.861 1.00 1.00 O ATOM 346 CB PHE A 746 2.313 3.287 1.023 1.00 1.00 C ATOM 347 CG PHE A 746 2.742 2.288 -0.042 1.00 1.00 C ATOM 348 CD1 PHE A 746 3.589 2.707 -1.085 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.291 0.952 -0.019 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.002 1.805 -2.079 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.689 0.052 -1.025 1.00 1.00 C ATOM 352 CZ PHE A 746 3.550 0.477 -2.052 1.00 1.00 C ATOM 0 H PHE A 746 2.461 2.239 3.390 1.00 1.00 H new ATOM 0 HA PHE A 746 4.305 3.626 1.518 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.418 2.908 1.517 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.036 4.221 0.535 1.00 1.00 H new ATOM 0 HD1 PHE A 746 3.925 3.733 -1.121 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.638 0.618 0.774 1.00 1.00 H new ATOM 0 HE1 PHE A 746 4.667 2.133 -2.864 1.00 1.00 H new ATOM 0 HE2 PHE A 746 2.332 -0.967 -1.008 1.00 1.00 H new ATOM 0 HZ PHE A 746 3.863 -0.217 -2.818 1.00 1.00 H new ATOM 362 N PRO A 747 3.870 6.020 2.324 1.00 1.00 N ATOM 363 CA PRO A 747 3.906 7.312 3.005 1.00 1.00 C ATOM 364 C PRO A 747 2.622 8.151 2.886 1.00 1.00 C ATOM 365 O PRO A 747 1.788 7.919 2.012 1.00 1.00 O ATOM 366 CB PRO A 747 5.074 8.044 2.328 1.00 1.00 C ATOM 367 CG PRO A 747 4.988 7.545 0.888 1.00 1.00 C ATOM 368 CD PRO A 747 4.648 6.072 1.093 1.00 1.00 C ATOM 0 HA PRO A 747 4.014 7.162 4.079 1.00 1.00 H new ATOM 0 HB2 PRO A 747 4.964 9.127 2.389 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.030 7.794 2.787 1.00 1.00 H new ATOM 0 HG2 PRO A 747 4.219 8.067 0.319 1.00 1.00 H new ATOM 0 HG3 PRO A 747 5.928 7.678 0.352 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.077 5.680 0.251 1.00 1.00 H new ATOM 0 HD3 PRO A 747 5.552 5.468 1.174 1.00 1.00 H new ATOM 376 N PRO A 748 2.473 9.200 3.713 1.00 1.00 N ATOM 377 CA PRO A 748 1.364 10.141 3.623 1.00 1.00 C ATOM 378 C PRO A 748 1.473 11.026 2.380 1.00 1.00 C ATOM 379 O PRO A 748 0.478 11.629 1.980 1.00 1.00 O ATOM 380 CB PRO A 748 1.419 10.997 4.885 1.00 1.00 C ATOM 381 CG PRO A 748 2.896 10.949 5.266 1.00 1.00 C ATOM 382 CD PRO A 748 3.311 9.540 4.853 1.00 1.00 C ATOM 0 HA PRO A 748 0.419 9.604 3.540 1.00 1.00 H new ATOM 0 HB2 PRO A 748 1.083 12.017 4.696 1.00 1.00 H new ATOM 0 HB3 PRO A 748 0.785 10.594 5.675 1.00 1.00 H new ATOM 0 HG2 PRO A 748 3.473 11.710 4.741 1.00 1.00 H new ATOM 0 HG3 PRO A 748 3.043 11.117 6.333 1.00 1.00 H new ATOM 0 HD2 PRO A 748 4.367 9.505 4.586 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.165 8.834 5.670 1.00 1.00 H new ATOM 390 N SER A 749 2.675 11.203 1.831 1.00 1.00 N ATOM 391 CA SER A 749 3.036 12.075 0.716 1.00 1.00 C ATOM 392 C SER A 749 2.200 11.833 -0.554 1.00 1.00 C ATOM 393 O SER A 749 2.141 12.690 -1.434 1.00 1.00 O ATOM 394 CB SER A 749 4.535 11.866 0.448 1.00 1.00 C ATOM 395 OG SER A 749 5.227 11.726 1.686 1.00 1.00 O ATOM 0 H SER A 749 3.487 10.698 2.185 1.00 1.00 H new ATOM 0 HA SER A 749 2.821 13.108 0.990 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.685 10.978 -0.166 1.00 1.00 H new ATOM 0 HB3 SER A 749 4.936 12.711 -0.111 1.00 1.00 H new ATOM 0 HG SER A 749 6.182 11.591 1.513 1.00 1.00 H new ATOM 401 N LEU A 750 1.559 10.669 -0.668 1.00 1.00 N ATOM 402 CA LEU A 750 0.641 10.320 -1.743 1.00 1.00 C ATOM 403 C LEU A 750 -0.524 11.303 -1.689 1.00 1.00 C ATOM 404 O LEU A 750 -1.233 11.323 -0.684 1.00 1.00 O ATOM 405 CB LEU A 750 0.204 8.859 -1.539 1.00 1.00 C ATOM 406 CG LEU A 750 1.172 7.752 -2.037 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.480 8.285 -2.620 1.00 1.00 C ATOM 408 CD2 LEU A 750 1.459 6.684 -0.983 1.00 1.00 C ATOM 0 H LEU A 750 1.672 9.918 0.013 1.00 1.00 H new ATOM 0 HA LEU A 750 1.096 10.391 -2.731 1.00 1.00 H new ATOM 0 HB2 LEU A 750 0.032 8.703 -0.474 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -0.754 8.720 -2.040 1.00 1.00 H new ATOM 0 HG LEU A 750 0.626 7.281 -2.854 1.00 1.00 H new ATOM 0 HD11 LEU A 750 3.101 7.450 -2.945 1.00 1.00 H new ATOM 0 HD12 LEU A 750 2.263 8.929 -3.472 1.00 1.00 H new ATOM 0 HD13 LEU A 750 3.011 8.857 -1.859 1.00 1.00 H new ATOM 0 HD21 LEU A 750 2.142 5.941 -1.395 1.00 1.00 H new ATOM 0 HD22 LEU A 750 1.914 7.149 -0.108 1.00 1.00 H new ATOM 0 HD23 LEU A 750 0.527 6.199 -0.693 1.00 1.00 H new ATOM 420 N ASN A 751 -0.748 12.089 -2.752 1.00 1.00 N ATOM 421 CA ASN A 751 -1.766 13.142 -2.721 1.00 1.00 C ATOM 422 C ASN A 751 -3.167 12.573 -2.509 1.00 1.00 C ATOM 423 O ASN A 751 -3.721 12.687 -1.414 1.00 1.00 O ATOM 424 CB ASN A 751 -1.742 13.983 -4.003 1.00 1.00 C ATOM 425 CG ASN A 751 -0.429 14.677 -4.309 1.00 1.00 C ATOM 426 OD1 ASN A 751 0.095 14.528 -5.410 1.00 1.00 O ATOM 427 ND2 ASN A 751 0.091 15.486 -3.409 1.00 1.00 N ATOM 0 H ASN A 751 -0.242 12.015 -3.635 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.522 13.783 -1.874 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -1.995 13.337 -4.844 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.524 14.739 -3.934 1.00 1.00 H new ATOM 0 HD21 ASN A 751 0.944 16.003 -3.620 1.00 1.00 H new ATOM 0 HD22 ASN A 751 -0.360 15.596 -2.501 1.00 1.00 H new ATOM 434 N SER A 752 -3.710 11.915 -3.527 1.00 1.00 N ATOM 435 CA SER A 752 -4.982 11.223 -3.457 1.00 1.00 C ATOM 436 C SER A 752 -4.849 10.015 -4.371 1.00 1.00 C ATOM 437 O SER A 752 -4.758 8.907 -3.869 1.00 1.00 O ATOM 438 CB SER A 752 -6.171 12.116 -3.841 1.00 1.00 C ATOM 439 OG SER A 752 -6.079 13.449 -3.365 1.00 1.00 O ATOM 0 H SER A 752 -3.264 11.849 -4.442 1.00 1.00 H new ATOM 0 HA SER A 752 -5.199 10.922 -2.432 1.00 1.00 H new ATOM 0 HB2 SER A 752 -6.259 12.136 -4.927 1.00 1.00 H new ATOM 0 HB3 SER A 752 -7.086 11.667 -3.455 1.00 1.00 H new ATOM 0 HG SER A 752 -6.869 13.954 -3.650 1.00 1.00 H new ATOM 445 N HIS A 753 -4.710 10.216 -5.690 1.00 1.00 N ATOM 446 CA HIS A 753 -4.644 9.144 -6.681 1.00 1.00 C ATOM 447 C HIS A 753 -3.561 8.106 -6.401 1.00 1.00 C ATOM 448 O HIS A 753 -3.765 6.939 -6.735 1.00 1.00 O ATOM 449 CB HIS A 753 -4.454 9.705 -8.095 1.00 1.00 C ATOM 450 CG HIS A 753 -5.727 10.183 -8.738 1.00 1.00 C ATOM 451 ND1 HIS A 753 -6.734 9.364 -9.206 1.00 1.00 N ATOM 452 CD2 HIS A 753 -6.044 11.472 -9.067 1.00 1.00 C ATOM 453 CE1 HIS A 753 -7.653 10.144 -9.797 1.00 1.00 C ATOM 454 NE2 HIS A 753 -7.272 11.433 -9.738 1.00 1.00 N ATOM 0 H HIS A 753 -4.639 11.147 -6.100 1.00 1.00 H new ATOM 0 HA HIS A 753 -5.604 8.633 -6.607 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.746 10.533 -8.055 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -4.008 8.935 -8.724 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -5.458 12.353 -8.850 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -8.565 9.789 -10.253 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -7.783 12.233 -10.112 1.00 1.00 H new ATOM 462 N ASP A 754 -2.418 8.503 -5.836 1.00 1.00 N ATOM 463 CA ASP A 754 -1.304 7.621 -5.575 1.00 1.00 C ATOM 464 C ASP A 754 -1.754 6.645 -4.470 1.00 1.00 C ATOM 465 O ASP A 754 -1.732 5.428 -4.645 1.00 1.00 O ATOM 466 CB ASP A 754 -0.093 8.474 -5.146 1.00 1.00 C ATOM 467 CG ASP A 754 0.107 9.806 -5.871 1.00 1.00 C ATOM 468 OD1 ASP A 754 -0.652 10.748 -5.537 1.00 1.00 O ATOM 469 OD2 ASP A 754 1.033 9.950 -6.701 1.00 1.00 O ATOM 0 H ASP A 754 -2.249 9.466 -5.546 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.004 7.049 -6.453 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.183 8.679 -4.079 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.808 7.876 -5.281 1.00 1.00 H new ATOM 474 N ARG A 755 -2.250 7.190 -3.349 1.00 1.00 N ATOM 475 CA ARG A 755 -2.773 6.473 -2.179 1.00 1.00 C ATOM 476 C ARG A 755 -3.977 5.624 -2.587 1.00 1.00 C ATOM 477 O ARG A 755 -4.060 4.455 -2.225 1.00 1.00 O ATOM 478 CB ARG A 755 -3.143 7.500 -1.081 1.00 1.00 C ATOM 479 CG ARG A 755 -3.933 6.883 0.074 1.00 1.00 C ATOM 480 CD ARG A 755 -4.319 7.883 1.166 1.00 1.00 C ATOM 481 NE ARG A 755 -5.236 7.206 2.088 1.00 1.00 N ATOM 482 CZ ARG A 755 -6.282 7.710 2.747 1.00 1.00 C ATOM 483 NH1 ARG A 755 -6.441 9.020 2.913 1.00 1.00 N ATOM 484 NH2 ARG A 755 -7.163 6.842 3.226 1.00 1.00 N ATOM 0 H ARG A 755 -2.299 8.202 -3.229 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.015 5.799 -1.778 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.230 7.950 -0.690 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -3.729 8.304 -1.526 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -4.839 6.425 -0.322 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -3.341 6.084 0.520 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -3.432 8.231 1.696 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -4.795 8.761 0.729 1.00 1.00 H new ATOM 0 HE ARG A 755 -5.050 6.216 2.248 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -5.753 9.670 2.532 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -7.251 9.375 3.421 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -7.023 5.842 3.083 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -7.980 7.175 3.737 1.00 1.00 H new ATOM 498 N LEU A 756 -4.904 6.215 -3.328 1.00 1.00 N ATOM 499 CA LEU A 756 -6.115 5.599 -3.836 1.00 1.00 C ATOM 500 C LEU A 756 -5.765 4.365 -4.661 1.00 1.00 C ATOM 501 O LEU A 756 -6.440 3.344 -4.558 1.00 1.00 O ATOM 502 CB LEU A 756 -6.891 6.645 -4.625 1.00 1.00 C ATOM 503 CG LEU A 756 -8.242 6.183 -5.203 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.407 6.902 -4.518 1.00 1.00 C ATOM 505 CD2 LEU A 756 -8.300 6.486 -6.704 1.00 1.00 C ATOM 0 H LEU A 756 -4.823 7.193 -3.605 1.00 1.00 H new ATOM 0 HA LEU A 756 -6.752 5.252 -3.022 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.069 7.503 -3.977 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.265 6.991 -5.447 1.00 1.00 H new ATOM 0 HG LEU A 756 -8.329 5.110 -5.029 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.349 6.557 -4.945 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -9.391 6.684 -3.450 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.311 7.977 -4.671 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -9.258 6.156 -7.105 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -8.190 7.559 -6.863 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -7.493 5.959 -7.213 1.00 1.00 H new ATOM 517 N ARG A 757 -4.714 4.426 -5.487 1.00 1.00 N ATOM 518 CA ARG A 757 -4.270 3.244 -6.210 1.00 1.00 C ATOM 519 C ARG A 757 -3.697 2.232 -5.225 1.00 1.00 C ATOM 520 O ARG A 757 -4.090 1.079 -5.318 1.00 1.00 O ATOM 521 CB ARG A 757 -3.305 3.598 -7.340 1.00 1.00 C ATOM 522 CG ARG A 757 -3.114 2.444 -8.342 1.00 1.00 C ATOM 523 CD ARG A 757 -4.355 2.125 -9.198 1.00 1.00 C ATOM 524 NE ARG A 757 -4.739 0.696 -9.152 1.00 1.00 N ATOM 525 CZ ARG A 757 -5.982 0.210 -9.305 1.00 1.00 C ATOM 526 NH1 ARG A 757 -6.971 1.017 -9.663 1.00 1.00 N ATOM 527 NH2 ARG A 757 -6.267 -1.075 -9.114 1.00 1.00 N ATOM 0 H ARG A 757 -4.168 5.269 -5.665 1.00 1.00 H new ATOM 0 HA ARG A 757 -5.126 2.781 -6.701 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -3.678 4.475 -7.869 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.338 3.869 -6.915 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -2.285 2.690 -9.005 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -2.828 1.547 -7.793 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -5.193 2.732 -8.854 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -4.159 2.410 -10.232 1.00 1.00 H new ATOM 0 HE ARG A 757 -3.993 0.020 -8.990 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -6.788 2.008 -9.823 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -7.914 0.647 -9.779 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -5.530 -1.726 -8.842 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -7.222 -1.410 -9.239 1.00 1.00 H new ATOM 541 N VAL A 758 -2.826 2.623 -4.288 1.00 1.00 N ATOM 542 CA VAL A 758 -2.289 1.709 -3.269 1.00 1.00 C ATOM 543 C VAL A 758 -3.433 0.924 -2.592 1.00 1.00 C ATOM 544 O VAL A 758 -3.398 -0.311 -2.587 1.00 1.00 O ATOM 545 CB VAL A 758 -1.375 2.461 -2.267 1.00 1.00 C ATOM 546 CG1 VAL A 758 -0.966 1.605 -1.057 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.085 2.958 -2.945 1.00 1.00 C ATOM 0 H VAL A 758 -2.474 3.577 -4.213 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.650 0.970 -3.753 1.00 1.00 H new ATOM 0 HB VAL A 758 -1.976 3.301 -1.917 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.328 2.191 -0.396 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.858 1.291 -0.515 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.422 0.725 -1.401 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.532 3.480 -2.214 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.467 2.107 -3.344 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.340 3.639 -3.757 1.00 1.00 H new ATOM 557 N HIS A 759 -4.459 1.616 -2.071 1.00 1.00 N ATOM 558 CA HIS A 759 -5.644 0.988 -1.485 1.00 1.00 C ATOM 559 C HIS A 759 -6.280 0.016 -2.475 1.00 1.00 C ATOM 560 O HIS A 759 -6.575 -1.120 -2.109 1.00 1.00 O ATOM 561 CB HIS A 759 -6.704 2.027 -1.082 1.00 1.00 C ATOM 562 CG HIS A 759 -6.438 2.778 0.197 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.665 2.326 1.477 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.124 4.103 0.287 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.460 3.347 2.323 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.111 4.455 1.645 1.00 1.00 N ATOM 0 H HIS A 759 -4.485 2.635 -2.047 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.308 0.458 -0.594 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -6.802 2.750 -1.892 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.665 1.520 -0.990 1.00 1.00 H new ATOM 0 HD1 HIS A 759 -6.941 1.379 1.737 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -5.921 4.765 -0.542 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -6.561 3.288 3.397 1.00 1.00 H new ATOM 574 N GLN A 760 -6.514 0.455 -3.713 1.00 1.00 N ATOM 575 CA GLN A 760 -7.184 -0.355 -4.705 1.00 1.00 C ATOM 576 C GLN A 760 -6.425 -1.635 -5.005 1.00 1.00 C ATOM 577 O GLN A 760 -7.041 -2.685 -4.894 1.00 1.00 O ATOM 578 CB GLN A 760 -7.419 0.442 -5.987 1.00 1.00 C ATOM 579 CG GLN A 760 -8.642 1.355 -5.921 1.00 1.00 C ATOM 580 CD GLN A 760 -8.696 2.189 -7.187 1.00 1.00 C ATOM 581 OE1 GLN A 760 -9.341 1.820 -8.167 1.00 1.00 O ATOM 582 NE2 GLN A 760 -7.932 3.264 -7.211 1.00 1.00 N ATOM 0 H GLN A 760 -6.242 1.380 -4.045 1.00 1.00 H new ATOM 0 HA GLN A 760 -8.150 -0.640 -4.287 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.536 1.045 -6.197 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.537 -0.251 -6.820 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.551 0.762 -5.820 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.584 2.001 -5.045 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -7.412 3.539 -6.378 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -7.862 3.821 -8.063 1.00 1.00 H new ATOM 591 N ILE A 761 -5.143 -1.592 -5.387 1.00 1.00 N ATOM 592 CA ILE A 761 -4.289 -2.753 -5.595 1.00 1.00 C ATOM 593 C ILE A 761 -4.401 -3.699 -4.398 1.00 1.00 C ATOM 594 O ILE A 761 -4.542 -4.911 -4.558 1.00 1.00 O ATOM 595 CB ILE A 761 -2.846 -2.245 -5.749 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.703 -1.262 -6.923 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.890 -3.428 -5.949 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.332 -0.566 -7.006 1.00 1.00 C ATOM 0 H ILE A 761 -4.660 -0.711 -5.565 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.590 -3.303 -6.486 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.590 -1.712 -4.834 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.881 -1.799 -7.855 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.479 -0.501 -6.840 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.871 -3.058 -6.057 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.946 -4.091 -5.085 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -2.174 -3.977 -6.847 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.318 0.109 -7.862 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.157 0.002 -6.093 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.550 -1.316 -7.123 1.00 1.00 H new ATOM 610 N ALA A 762 -4.332 -3.152 -3.187 1.00 1.00 N ATOM 611 CA ALA A 762 -4.410 -3.967 -1.996 1.00 1.00 C ATOM 612 C ALA A 762 -5.738 -4.720 -1.901 1.00 1.00 C ATOM 613 O ALA A 762 -5.757 -5.890 -1.506 1.00 1.00 O ATOM 614 CB ALA A 762 -4.144 -3.059 -0.801 1.00 1.00 C ATOM 0 H ALA A 762 -4.223 -2.153 -3.013 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.656 -4.754 -2.022 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -4.195 -3.643 0.118 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -3.153 -2.616 -0.894 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.894 -2.268 -0.771 1.00 1.00 H new ATOM 620 N GLU A 763 -6.835 -4.072 -2.275 1.00 1.00 N ATOM 621 CA GLU A 763 -8.156 -4.675 -2.331 1.00 1.00 C ATOM 622 C GLU A 763 -8.312 -5.584 -3.567 1.00 1.00 C ATOM 623 O GLU A 763 -9.152 -6.481 -3.578 1.00 1.00 O ATOM 624 CB GLU A 763 -9.192 -3.530 -2.350 1.00 1.00 C ATOM 625 CG GLU A 763 -10.525 -3.888 -1.673 1.00 1.00 C ATOM 626 CD GLU A 763 -11.205 -2.659 -1.050 1.00 1.00 C ATOM 627 OE1 GLU A 763 -11.285 -1.582 -1.686 1.00 1.00 O ATOM 628 OE2 GLU A 763 -11.604 -2.712 0.136 1.00 1.00 O ATOM 0 H GLU A 763 -6.828 -3.091 -2.553 1.00 1.00 H new ATOM 0 HA GLU A 763 -8.310 -5.312 -1.460 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.766 -2.658 -1.853 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -9.385 -3.245 -3.384 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -11.194 -4.339 -2.406 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.349 -4.636 -0.899 1.00 1.00 H new ATOM 635 N GLU A 764 -7.537 -5.351 -4.627 1.00 1.00 N ATOM 636 CA GLU A 764 -7.483 -6.106 -5.867 1.00 1.00 C ATOM 637 C GLU A 764 -6.871 -7.484 -5.613 1.00 1.00 C ATOM 638 O GLU A 764 -7.290 -8.464 -6.233 1.00 1.00 O ATOM 639 CB GLU A 764 -6.608 -5.322 -6.868 1.00 1.00 C ATOM 640 CG GLU A 764 -6.978 -5.571 -8.320 1.00 1.00 C ATOM 641 CD GLU A 764 -5.868 -5.091 -9.261 1.00 1.00 C ATOM 642 OE1 GLU A 764 -5.581 -3.868 -9.345 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.256 -5.955 -9.935 1.00 1.00 O ATOM 0 H GLU A 764 -6.883 -4.568 -4.635 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.487 -6.243 -6.268 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -6.694 -4.256 -6.657 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.563 -5.593 -6.716 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -7.157 -6.635 -8.476 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -7.908 -5.054 -8.556 1.00 1.00 H new ATOM 650 N HIS A 765 -5.879 -7.543 -4.720 1.00 1.00 N ATOM 651 CA HIS A 765 -5.200 -8.727 -4.245 1.00 1.00 C ATOM 652 C HIS A 765 -5.911 -9.226 -2.977 1.00 1.00 C ATOM 653 O HIS A 765 -7.119 -9.053 -2.799 1.00 1.00 O ATOM 654 CB HIS A 765 -3.725 -8.367 -4.008 1.00 1.00 C ATOM 655 CG HIS A 765 -2.988 -7.971 -5.254 1.00 1.00 C ATOM 656 ND1 HIS A 765 -2.903 -8.665 -6.440 1.00 1.00 N ATOM 657 CD2 HIS A 765 -2.237 -6.843 -5.374 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.112 -7.944 -7.256 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.678 -6.826 -6.652 1.00 1.00 N ATOM 0 H HIS A 765 -5.511 -6.697 -4.285 1.00 1.00 H new ATOM 0 HA HIS A 765 -5.231 -9.540 -4.971 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.672 -7.548 -3.290 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -3.221 -9.221 -3.555 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -2.098 -6.091 -4.612 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -1.859 -8.228 -8.267 1.00 1.00 H new ATOM 0 HE2 HIS A 765 -1.066 -6.112 -7.046 1.00 1.00 H new ATOM 667 N GLY A 766 -5.141 -9.840 -2.086 1.00 1.00 N ATOM 668 CA GLY A 766 -5.491 -10.338 -0.782 1.00 1.00 C ATOM 669 C GLY A 766 -4.644 -9.653 0.277 1.00 1.00 C ATOM 670 O GLY A 766 -3.829 -10.306 0.950 1.00 1.00 O ATOM 0 H GLY A 766 -4.157 -10.014 -2.291 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -6.548 -10.159 -0.586 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -5.337 -11.416 -0.742 1.00 1.00 H new ATOM 674 N LEU A 767 -4.785 -8.324 0.393 1.00 1.00 N ATOM 675 CA LEU A 767 -4.073 -7.602 1.429 1.00 1.00 C ATOM 676 C LEU A 767 -5.031 -7.108 2.507 1.00 1.00 C ATOM 677 O LEU A 767 -6.248 -7.043 2.323 1.00 1.00 O ATOM 678 CB LEU A 767 -3.324 -6.396 0.828 1.00 1.00 C ATOM 679 CG LEU A 767 -2.408 -6.666 -0.379 1.00 1.00 C ATOM 680 CD1 LEU A 767 -1.497 -5.475 -0.683 1.00 1.00 C ATOM 681 CD2 LEU A 767 -1.451 -7.825 -0.172 1.00 1.00 C ATOM 0 H LEU A 767 -5.374 -7.748 -0.208 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.357 -8.290 1.878 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -4.064 -5.653 0.531 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.720 -5.947 1.616 1.00 1.00 H new ATOM 0 HG LEU A 767 -3.112 -6.878 -1.184 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.868 -5.708 -1.542 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -2.106 -4.599 -0.907 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.868 -5.268 0.183 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.838 -7.955 -1.064 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.808 -7.617 0.683 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -2.019 -8.737 0.014 1.00 1.00 H new ATOM 693 N ARG A 768 -4.459 -6.740 3.647 1.00 1.00 N ATOM 694 CA ARG A 768 -5.122 -6.118 4.783 1.00 1.00 C ATOM 695 C ARG A 768 -4.564 -4.717 4.616 1.00 1.00 C ATOM 696 O ARG A 768 -3.363 -4.540 4.782 1.00 1.00 O ATOM 697 CB ARG A 768 -4.709 -6.789 6.101 1.00 1.00 C ATOM 698 CG ARG A 768 -5.331 -6.076 7.306 1.00 1.00 C ATOM 699 CD ARG A 768 -4.943 -6.779 8.609 1.00 1.00 C ATOM 700 NE ARG A 768 -5.736 -6.271 9.739 1.00 1.00 N ATOM 701 CZ ARG A 768 -5.682 -6.738 10.990 1.00 1.00 C ATOM 702 NH1 ARG A 768 -4.791 -7.653 11.352 1.00 1.00 N ATOM 703 NH2 ARG A 768 -6.561 -6.308 11.887 1.00 1.00 N ATOM 0 H ARG A 768 -3.462 -6.876 3.811 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.210 -6.177 4.815 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.020 -7.834 6.093 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -3.623 -6.781 6.191 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -4.997 -5.039 7.333 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -6.416 -6.059 7.205 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -5.096 -7.853 8.506 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -3.882 -6.626 8.807 1.00 1.00 H new ATOM 0 HE ARG A 768 -6.378 -5.501 9.553 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -4.126 -8.016 10.669 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -4.771 -7.993 12.314 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -7.271 -5.626 11.619 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -6.527 -6.659 12.844 1.00 1.00 H new ATOM 717 N HIS A 769 -5.364 -3.743 4.211 1.00 1.00 N ATOM 718 CA HIS A 769 -4.885 -2.400 3.904 1.00 1.00 C ATOM 719 C HIS A 769 -5.682 -1.386 4.695 1.00 1.00 C ATOM 720 O HIS A 769 -6.914 -1.415 4.661 1.00 1.00 O ATOM 721 CB HIS A 769 -5.050 -2.185 2.391 1.00 1.00 C ATOM 722 CG HIS A 769 -6.353 -2.668 1.794 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.478 -1.911 1.592 1.00 1.00 N ATOM 724 CD2 HIS A 769 -6.643 -3.946 1.393 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.434 -2.719 1.112 1.00 1.00 C ATOM 726 NE2 HIS A 769 -7.986 -3.981 1.008 1.00 1.00 N ATOM 0 H HIS A 769 -6.369 -3.860 4.085 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.837 -2.279 4.177 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -4.949 -1.120 2.182 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.230 -2.689 1.880 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -5.955 -4.779 1.377 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.430 -2.398 0.845 1.00 1.00 H new ATOM 0 HE2 HIS A 769 -8.518 -4.798 0.709 1.00 1.00 H new ATOM 734 N ASP A 770 -4.993 -0.497 5.405 1.00 1.00 N ATOM 735 CA ASP A 770 -5.638 0.465 6.299 1.00 1.00 C ATOM 736 C ASP A 770 -4.672 1.623 6.591 1.00 1.00 C ATOM 737 O ASP A 770 -3.501 1.559 6.197 1.00 1.00 O ATOM 738 CB ASP A 770 -6.049 -0.318 7.561 1.00 1.00 C ATOM 739 CG ASP A 770 -6.785 0.510 8.600 1.00 1.00 C ATOM 740 OD1 ASP A 770 -7.869 1.062 8.301 1.00 1.00 O ATOM 741 OD2 ASP A 770 -6.312 0.583 9.752 1.00 1.00 O ATOM 0 H ASP A 770 -3.976 -0.422 5.379 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.525 0.920 5.859 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -6.682 -1.154 7.265 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -5.155 -0.742 8.018 1.00 1.00 H new ATOM 746 N SER A 771 -5.122 2.679 7.274 1.00 1.00 N ATOM 747 CA SER A 771 -4.275 3.839 7.548 1.00 1.00 C ATOM 748 C SER A 771 -3.610 3.666 8.913 1.00 1.00 C ATOM 749 O SER A 771 -4.113 2.957 9.788 1.00 1.00 O ATOM 750 CB SER A 771 -5.094 5.131 7.540 1.00 1.00 C ATOM 751 OG SER A 771 -5.825 5.283 6.334 1.00 1.00 O ATOM 0 H SER A 771 -6.069 2.753 7.647 1.00 1.00 H new ATOM 0 HA SER A 771 -3.518 3.908 6.767 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.783 5.130 8.385 1.00 1.00 H new ATOM 0 HB3 SER A 771 -4.429 5.984 7.672 1.00 1.00 H new ATOM 0 HG SER A 771 -6.337 6.118 6.365 1.00 1.00 H new ATOM 757 N SER A 772 -2.505 4.366 9.120 1.00 1.00 N ATOM 758 CA SER A 772 -1.664 4.262 10.297 1.00 1.00 C ATOM 759 C SER A 772 -1.212 5.645 10.753 1.00 1.00 C ATOM 760 O SER A 772 -1.340 6.610 10.002 1.00 1.00 O ATOM 761 CB SER A 772 -0.452 3.400 9.934 1.00 1.00 C ATOM 762 OG SER A 772 -0.836 2.170 9.348 1.00 1.00 O ATOM 0 H SER A 772 -2.158 5.048 8.445 1.00 1.00 H new ATOM 0 HA SER A 772 -2.220 3.807 11.117 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.189 3.947 9.243 1.00 1.00 H new ATOM 0 HB3 SER A 772 0.138 3.207 10.830 1.00 1.00 H new ATOM 0 HG SER A 772 -0.049 1.731 8.963 1.00 1.00 H new ATOM 768 N GLY A 773 -0.673 5.748 11.965 1.00 1.00 N ATOM 769 CA GLY A 773 -0.120 6.968 12.536 1.00 1.00 C ATOM 770 C GLY A 773 -0.380 7.000 14.034 1.00 1.00 C ATOM 771 O GLY A 773 -1.098 6.143 14.559 1.00 1.00 O ATOM 0 H GLY A 773 -0.608 4.952 12.599 1.00 1.00 H new ATOM 0 HA2 GLY A 773 0.952 7.018 12.343 1.00 1.00 H new ATOM 0 HA3 GLY A 773 -0.570 7.839 12.061 1.00 1.00 H new ATOM 775 N GLU A 774 0.184 7.984 14.730 1.00 1.00 N ATOM 776 CA GLU A 774 0.052 8.131 16.174 1.00 1.00 C ATOM 777 C GLU A 774 -0.455 9.529 16.523 1.00 1.00 C ATOM 778 O GLU A 774 -1.585 9.665 16.997 1.00 1.00 O ATOM 779 CB GLU A 774 1.381 7.761 16.840 1.00 1.00 C ATOM 780 CG GLU A 774 1.278 7.822 18.366 1.00 1.00 C ATOM 781 CD GLU A 774 2.459 7.105 19.013 1.00 1.00 C ATOM 782 OE1 GLU A 774 2.369 5.876 19.235 1.00 1.00 O ATOM 783 OE2 GLU A 774 3.481 7.769 19.297 1.00 1.00 O ATOM 0 H GLU A 774 0.754 8.712 14.299 1.00 1.00 H new ATOM 0 HA GLU A 774 -0.698 7.445 16.566 1.00 1.00 H new ATOM 0 HB2 GLU A 774 1.676 6.757 16.534 1.00 1.00 H new ATOM 0 HB3 GLU A 774 2.162 8.441 16.499 1.00 1.00 H new ATOM 0 HG2 GLU A 774 1.253 8.862 18.693 1.00 1.00 H new ATOM 0 HG3 GLU A 774 0.344 7.363 18.692 1.00 1.00 H new ATOM 790 N GLY A 775 0.342 10.563 16.253 1.00 1.00 N ATOM 791 CA GLY A 775 0.001 11.959 16.480 1.00 1.00 C ATOM 792 C GLY A 775 -0.329 12.591 15.139 1.00 1.00 C ATOM 793 O GLY A 775 -1.448 12.437 14.648 1.00 1.00 O ATOM 0 H GLY A 775 1.274 10.443 15.857 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -0.850 12.037 17.157 1.00 1.00 H new ATOM 0 HA3 GLY A 775 0.833 12.482 16.952 1.00 1.00 H new ATOM 797 N LYS A 776 0.646 13.237 14.499 1.00 1.00 N ATOM 798 CA LYS A 776 0.480 13.974 13.246 1.00 1.00 C ATOM 799 C LYS A 776 1.409 13.437 12.155 1.00 1.00 C ATOM 800 O LYS A 776 1.823 14.197 11.273 1.00 1.00 O ATOM 801 CB LYS A 776 0.669 15.485 13.481 1.00 1.00 C ATOM 802 CG LYS A 776 -0.218 16.028 14.609 1.00 1.00 C ATOM 803 CD LYS A 776 -0.124 17.553 14.699 1.00 1.00 C ATOM 804 CE LYS A 776 -0.875 18.015 15.947 1.00 1.00 C ATOM 805 NZ LYS A 776 -0.883 19.480 16.082 1.00 1.00 N ATOM 0 H LYS A 776 1.604 13.263 14.850 1.00 1.00 H new ATOM 0 HA LYS A 776 -0.538 13.822 12.889 1.00 1.00 H new ATOM 0 HB2 LYS A 776 1.714 15.683 13.720 1.00 1.00 H new ATOM 0 HB3 LYS A 776 0.446 16.022 12.559 1.00 1.00 H new ATOM 0 HG2 LYS A 776 -1.253 15.734 14.435 1.00 1.00 H new ATOM 0 HG3 LYS A 776 0.084 15.585 15.558 1.00 1.00 H new ATOM 0 HD2 LYS A 776 0.919 17.865 14.748 1.00 1.00 H new ATOM 0 HD3 LYS A 776 -0.553 18.012 13.808 1.00 1.00 H new ATOM 0 HE2 LYS A 776 -1.901 17.650 15.907 1.00 1.00 H new ATOM 0 HE3 LYS A 776 -0.414 17.573 16.830 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 -1.403 19.747 16.942 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 0.095 19.828 16.147 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 -1.346 19.903 15.252 1.00 1.00 H new ATOM 818 N ARG A 777 1.793 12.158 12.197 1.00 1.00 N ATOM 819 CA ARG A 777 2.594 11.513 11.158 1.00 1.00 C ATOM 820 C ARG A 777 1.856 10.283 10.648 1.00 1.00 C ATOM 821 O ARG A 777 2.342 9.158 10.771 1.00 1.00 O ATOM 822 CB ARG A 777 4.042 11.273 11.613 1.00 1.00 C ATOM 823 CG ARG A 777 4.774 12.603 11.871 1.00 1.00 C ATOM 824 CD ARG A 777 6.303 12.490 11.811 1.00 1.00 C ATOM 825 NE ARG A 777 6.903 11.939 13.042 1.00 1.00 N ATOM 826 CZ ARG A 777 7.885 11.027 13.098 1.00 1.00 C ATOM 827 NH1 ARG A 777 8.188 10.282 12.038 1.00 1.00 N ATOM 828 NH2 ARG A 777 8.576 10.873 14.219 1.00 1.00 N ATOM 0 H ARG A 777 1.551 11.534 12.967 1.00 1.00 H new ATOM 0 HA ARG A 777 2.709 12.179 10.303 1.00 1.00 H new ATOM 0 HB2 ARG A 777 4.045 10.671 12.522 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.575 10.703 10.852 1.00 1.00 H new ATOM 0 HG2 ARG A 777 4.444 13.337 11.136 1.00 1.00 H new ATOM 0 HG3 ARG A 777 4.485 12.982 12.851 1.00 1.00 H new ATOM 0 HD2 ARG A 777 6.580 11.858 10.967 1.00 1.00 H new ATOM 0 HD3 ARG A 777 6.725 13.477 11.621 1.00 1.00 H new ATOM 0 HE ARG A 777 6.538 12.283 13.930 1.00 1.00 H new ATOM 0 HH11 ARG A 777 7.671 10.400 11.167 1.00 1.00 H new ATOM 0 HH12 ARG A 777 8.938 9.593 12.097 1.00 1.00 H new ATOM 0 HH21 ARG A 777 8.360 11.447 15.034 1.00 1.00 H new ATOM 0 HH22 ARG A 777 9.324 10.181 14.266 1.00 1.00 H new ATOM 842 N ARG A 778 0.673 10.509 10.072 1.00 1.00 N ATOM 843 CA ARG A 778 -0.131 9.479 9.428 1.00 1.00 C ATOM 844 C ARG A 778 0.656 8.830 8.290 1.00 1.00 C ATOM 845 O ARG A 778 1.561 9.447 7.730 1.00 1.00 O ATOM 846 CB ARG A 778 -1.429 10.136 8.925 1.00 1.00 C ATOM 847 CG ARG A 778 -2.471 9.191 8.301 1.00 1.00 C ATOM 848 CD ARG A 778 -3.608 9.975 7.643 1.00 1.00 C ATOM 849 NE ARG A 778 -4.328 10.822 8.604 1.00 1.00 N ATOM 850 CZ ARG A 778 -4.665 12.109 8.479 1.00 1.00 C ATOM 851 NH1 ARG A 778 -4.273 12.831 7.432 1.00 1.00 N ATOM 852 NH2 ARG A 778 -5.411 12.655 9.430 1.00 1.00 N ATOM 0 H ARG A 778 0.242 11.433 10.042 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.381 8.685 10.132 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.896 10.657 9.761 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -1.166 10.892 8.185 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -1.989 8.553 7.560 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.877 8.534 9.071 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -3.203 10.597 6.845 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -4.307 9.278 7.181 1.00 1.00 H new ATOM 0 HE ARG A 778 -4.605 10.371 9.476 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -3.702 12.403 6.703 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -4.543 13.812 7.359 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -5.711 12.095 10.228 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -5.685 13.635 9.364 1.00 1.00 H new ATOM 866 N PHE A 779 0.308 7.597 7.941 1.00 1.00 N ATOM 867 CA PHE A 779 0.825 6.818 6.827 1.00 1.00 C ATOM 868 C PHE A 779 -0.237 5.768 6.453 1.00 1.00 C ATOM 869 O PHE A 779 -1.356 5.798 6.968 1.00 1.00 O ATOM 870 CB PHE A 779 2.216 6.238 7.161 1.00 1.00 C ATOM 871 CG PHE A 779 2.338 5.273 8.329 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.315 5.752 9.654 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.591 3.907 8.096 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.544 4.881 10.733 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.832 3.041 9.178 1.00 1.00 C ATOM 876 CZ PHE A 779 2.810 3.523 10.496 1.00 1.00 C ATOM 0 H PHE A 779 -0.395 7.080 8.469 1.00 1.00 H new ATOM 0 HA PHE A 779 0.996 7.439 5.948 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.585 5.729 6.271 1.00 1.00 H new ATOM 0 HB3 PHE A 779 2.887 7.075 7.351 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.120 6.797 9.842 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.600 3.524 7.086 1.00 1.00 H new ATOM 0 HE1 PHE A 779 2.515 5.257 11.745 1.00 1.00 H new ATOM 0 HE2 PHE A 779 3.036 1.997 8.993 1.00 1.00 H new ATOM 0 HZ PHE A 779 2.997 2.853 11.323 1.00 1.00 H new ATOM 886 N ILE A 780 0.083 4.874 5.526 1.00 1.00 N ATOM 887 CA ILE A 780 -0.689 3.721 5.070 1.00 1.00 C ATOM 888 C ILE A 780 0.123 2.459 5.282 1.00 1.00 C ATOM 889 O ILE A 780 1.309 2.432 4.969 1.00 1.00 O ATOM 890 CB ILE A 780 -1.286 3.936 3.653 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.857 2.660 2.970 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.502 4.832 2.682 1.00 1.00 C ATOM 893 CD1 ILE A 780 -3.282 2.828 2.453 1.00 1.00 C ATOM 0 H ILE A 780 0.970 4.942 5.028 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.585 3.595 5.677 1.00 1.00 H new ATOM 0 HB ILE A 780 -2.149 4.550 3.912 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -1.209 2.382 2.139 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -1.833 1.835 3.682 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -1.034 4.893 1.733 1.00 1.00 H new ATOM 0 HG22 ILE A 780 -0.403 5.831 3.107 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.489 4.409 2.516 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.613 1.898 1.990 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.943 3.075 3.283 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -3.309 3.630 1.716 1.00 1.00 H new ATOM 905 N THR A 781 -0.509 1.424 5.831 1.00 1.00 N ATOM 906 CA THR A 781 0.108 0.126 5.989 1.00 1.00 C ATOM 907 C THR A 781 -0.778 -0.852 5.253 1.00 1.00 C ATOM 908 O THR A 781 -2.006 -0.853 5.410 1.00 1.00 O ATOM 909 CB THR A 781 0.225 -0.269 7.464 1.00 1.00 C ATOM 910 OG1 THR A 781 1.120 0.590 8.133 1.00 1.00 O ATOM 911 CG2 THR A 781 0.689 -1.727 7.608 1.00 1.00 C ATOM 0 H THR A 781 -1.467 1.471 6.178 1.00 1.00 H new ATOM 0 HA THR A 781 1.123 0.134 5.592 1.00 1.00 H new ATOM 0 HB THR A 781 -0.762 -0.176 7.917 1.00 1.00 H new ATOM 0 HG1 THR A 781 1.184 0.327 9.075 1.00 1.00 H new ATOM 0 HG21 THR A 781 0.764 -1.982 8.665 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.031 -2.387 7.125 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.664 -1.847 7.136 1.00 1.00 H new ATOM 919 N VAL A 782 -0.135 -1.711 4.481 1.00 1.00 N ATOM 920 CA VAL A 782 -0.781 -2.790 3.785 1.00 1.00 C ATOM 921 C VAL A 782 0.004 -4.049 4.117 1.00 1.00 C ATOM 922 O VAL A 782 1.233 -4.022 4.171 1.00 1.00 O ATOM 923 CB VAL A 782 -0.881 -2.476 2.285 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.857 -1.333 2.034 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.421 -1.990 1.664 1.00 1.00 C ATOM 0 H VAL A 782 0.872 -1.670 4.323 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.814 -2.936 4.100 1.00 1.00 H new ATOM 0 HB VAL A 782 -1.188 -3.424 1.842 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.911 -1.129 0.965 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.845 -1.611 2.401 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.514 -0.440 2.557 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.266 -1.790 0.604 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.743 -1.075 2.162 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.188 -2.756 1.781 1.00 1.00 H new ATOM 935 N SER A 783 -0.711 -5.139 4.350 1.00 1.00 N ATOM 936 CA SER A 783 -0.160 -6.418 4.781 1.00 1.00 C ATOM 937 C SER A 783 -0.623 -7.536 3.859 1.00 1.00 C ATOM 938 O SER A 783 -1.713 -7.466 3.302 1.00 1.00 O ATOM 939 CB SER A 783 -0.491 -6.702 6.247 1.00 1.00 C ATOM 940 OG SER A 783 -0.174 -5.603 7.089 1.00 1.00 O ATOM 0 H SER A 783 -1.725 -5.160 4.241 1.00 1.00 H new ATOM 0 HA SER A 783 0.927 -6.366 4.712 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.552 -6.935 6.340 1.00 1.00 H new ATOM 0 HB3 SER A 783 0.059 -7.583 6.578 1.00 1.00 H new ATOM 0 HG SER A 783 -0.402 -5.825 8.016 1.00 1.00 H new ATOM 946 N LYS A 784 0.223 -8.544 3.671 1.00 1.00 N ATOM 947 CA LYS A 784 0.070 -9.677 2.765 1.00 1.00 C ATOM 948 C LYS A 784 -0.547 -10.894 3.404 1.00 1.00 C ATOM 949 O LYS A 784 0.051 -11.429 4.345 1.00 1.00 O ATOM 950 CB LYS A 784 1.451 -10.077 2.228 1.00 1.00 C ATOM 951 CG LYS A 784 1.907 -9.205 1.059 1.00 1.00 C ATOM 952 CD LYS A 784 1.873 -9.931 -0.295 1.00 1.00 C ATOM 953 CE LYS A 784 0.538 -10.484 -0.829 1.00 1.00 C ATOM 954 NZ LYS A 784 -0.082 -11.546 -0.018 1.00 1.00 N ATOM 0 H LYS A 784 1.101 -8.594 4.188 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.605 -9.346 1.976 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.183 -10.009 3.033 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.424 -11.119 1.909 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.271 -8.321 1.005 1.00 1.00 H new ATOM 0 HG3 LYS A 784 2.922 -8.856 1.250 1.00 1.00 H new ATOM 0 HD2 LYS A 784 2.264 -9.242 -1.044 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.571 -10.766 -0.235 1.00 1.00 H new ATOM 0 HE2 LYS A 784 -0.168 -9.658 -0.915 1.00 1.00 H new ATOM 0 HE3 LYS A 784 0.702 -10.869 -1.835 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 -0.684 -12.139 -0.624 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 0.661 -12.133 0.412 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 -0.662 -11.117 0.731 1.00 1.00 H new ATOM 967 N ARG A 785 -1.714 -11.343 2.917 1.00 1.00 N ATOM 968 CA ARG A 785 -2.230 -12.595 3.448 1.00 1.00 C ATOM 969 C ARG A 785 -1.383 -13.676 2.777 1.00 1.00 C ATOM 970 O ARG A 785 -1.371 -13.786 1.547 1.00 1.00 O ATOM 971 CB ARG A 785 -3.725 -12.743 3.175 1.00 1.00 C ATOM 972 CG ARG A 785 -4.509 -11.826 4.113 1.00 1.00 C ATOM 973 CD ARG A 785 -6.004 -11.927 3.838 1.00 1.00 C ATOM 974 NE ARG A 785 -6.768 -11.442 4.999 1.00 1.00 N ATOM 975 CZ ARG A 785 -7.020 -12.175 6.090 1.00 1.00 C ATOM 976 NH1 ARG A 785 -7.036 -13.501 6.026 1.00 1.00 N ATOM 977 NH2 ARG A 785 -7.239 -11.590 7.256 1.00 1.00 N ATOM 0 H ARG A 785 -2.281 -10.887 2.202 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.152 -12.657 4.533 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -3.942 -12.491 2.137 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.031 -13.779 3.322 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -4.305 -12.097 5.149 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.179 -10.795 3.982 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -6.259 -11.341 2.955 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.273 -12.961 3.623 1.00 1.00 H new ATOM 0 HE ARG A 785 -7.128 -10.488 4.970 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -6.855 -13.971 5.139 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -7.229 -14.050 6.864 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -7.217 -10.573 7.328 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -7.430 -12.156 8.083 1.00 1.00 H new ATOM 991 N ALA A 786 -0.582 -14.389 3.566 1.00 1.00 N ATOM 992 CA ALA A 786 0.234 -15.495 3.103 1.00 1.00 C ATOM 993 C ALA A 786 -0.601 -16.737 3.326 1.00 1.00 C ATOM 994 O ALA A 786 -0.488 -17.325 4.422 1.00 1.00 O ATOM 995 CB ALA A 786 1.588 -15.515 3.829 1.00 1.00 C ATOM 0 H ALA A 786 -0.484 -14.205 4.565 1.00 1.00 H new ATOM 0 HA ALA A 786 0.496 -15.415 2.048 1.00 1.00 H new ATOM 0 HB1 ALA A 786 2.183 -16.353 3.466 1.00 1.00 H new ATOM 0 HB2 ALA A 786 2.118 -14.582 3.636 1.00 1.00 H new ATOM 0 HB3 ALA A 786 1.424 -15.624 4.901 1.00 1.00 H new