USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 772 SER OG : rot -140:sc= 0.581 USER MOD Set 1.2: A 781 THR OG1 : rot 158:sc= 0.0531 USER MOD Set 2.1: A 737 MET CE :methyl -179:sc= -0.758 (180deg=-0.756) USER MOD Set 2.2: A 765 HIS : no HE2:sc= -1.13 X(o=-1.9,f=-1.8) USER MOD Single : A 728 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 732 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 739 SER OG : rot 180:sc= 0 USER MOD Single : A 740 LYS NZ :NH3+ -169:sc=-0.00374 (180deg=-0.146) USER MOD Single : A 741 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl 161:sc= -0.307 (180deg=-0.656) USER MOD Single : A 743 GLN : amide:sc= 0.34 K(o=0.34,f=-0.64) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0622 USER MOD Single : A 751 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 752 SER OG : rot 16:sc= 0.189 USER MOD Single : A 753 HIS : no HD1:sc= -0.0668 X(o=-0.067,f=-0.057) USER MOD Single : A 759 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-4!) USER MOD Single : A 760 GLN : amide:sc= 0.558 K(o=0.56,f=-3.6!) USER MOD Single : A 769 HIS : no HE2:sc= 0 K(o=0,f=-1.6!) 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+ -175:sc= 0 (180deg=-0.0294) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 727 1.733 3.562 -11.589 1.00 1.00 N ATOM 25 CA ASP A 727 2.198 2.184 -11.678 1.00 1.00 C ATOM 26 C ASP A 727 3.535 1.956 -10.958 1.00 1.00 C ATOM 27 O ASP A 727 3.905 0.811 -10.712 1.00 1.00 O ATOM 28 CB ASP A 727 2.171 1.701 -13.137 1.00 1.00 C ATOM 29 CG ASP A 727 1.874 0.201 -13.193 1.00 1.00 C ATOM 30 OD1 ASP A 727 0.709 -0.162 -12.903 1.00 1.00 O ATOM 31 OD2 ASP A 727 2.745 -0.623 -13.552 1.00 1.00 O ATOM 0 HA ASP A 727 1.499 1.552 -11.130 1.00 1.00 H new ATOM 0 HB2 ASP A 727 1.413 2.250 -13.695 1.00 1.00 H new ATOM 0 HB3 ASP A 727 3.129 1.907 -13.614 1.00 1.00 H new ATOM 36 N HIS A 728 4.264 3.016 -10.579 1.00 1.00 N ATOM 37 CA HIS A 728 5.492 2.884 -9.784 1.00 1.00 C ATOM 38 C HIS A 728 5.190 2.115 -8.491 1.00 1.00 C ATOM 39 O HIS A 728 5.847 1.120 -8.153 1.00 1.00 O ATOM 40 CB HIS A 728 6.047 4.266 -9.398 1.00 1.00 C ATOM 41 CG HIS A 728 6.602 5.094 -10.522 1.00 1.00 C ATOM 42 ND1 HIS A 728 6.573 6.471 -10.590 1.00 1.00 N ATOM 43 CD2 HIS A 728 7.379 4.641 -11.552 1.00 1.00 C ATOM 44 CE1 HIS A 728 7.322 6.849 -11.634 1.00 1.00 C ATOM 45 NE2 HIS A 728 7.850 5.768 -12.235 1.00 1.00 N ATOM 0 H HIS A 728 4.022 3.979 -10.812 1.00 1.00 H new ATOM 0 HA HIS A 728 6.227 2.352 -10.388 1.00 1.00 H new ATOM 0 HB2 HIS A 728 5.251 4.833 -8.915 1.00 1.00 H new ATOM 0 HB3 HIS A 728 6.833 4.125 -8.656 1.00 1.00 H new ATOM 0 HD2 HIS A 728 7.589 3.609 -11.793 1.00 1.00 H new ATOM 0 HE1 HIS A 728 7.479 7.871 -11.947 1.00 1.00 H new ATOM 0 HE2 HIS A 728 8.477 5.769 -13.039 1.00 1.00 H new ATOM 53 N PHE A 729 4.164 2.584 -7.771 1.00 1.00 N ATOM 54 CA PHE A 729 3.705 1.935 -6.559 1.00 1.00 C ATOM 55 C PHE A 729 3.266 0.525 -6.895 1.00 1.00 C ATOM 56 O PHE A 729 3.616 -0.386 -6.165 1.00 1.00 O ATOM 57 CB PHE A 729 2.558 2.703 -5.898 1.00 1.00 C ATOM 58 CG PHE A 729 2.824 4.182 -5.737 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.975 4.630 -5.059 1.00 1.00 C ATOM 60 CD2 PHE A 729 1.941 5.109 -6.317 1.00 1.00 C ATOM 61 CE1 PHE A 729 4.242 6.005 -4.968 1.00 1.00 C ATOM 62 CE2 PHE A 729 2.218 6.482 -6.234 1.00 1.00 C ATOM 63 CZ PHE A 729 3.361 6.929 -5.554 1.00 1.00 C ATOM 0 H PHE A 729 3.637 3.421 -8.019 1.00 1.00 H new ATOM 0 HA PHE A 729 4.529 1.914 -5.845 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.654 2.569 -6.492 1.00 1.00 H new ATOM 0 HB3 PHE A 729 2.362 2.270 -4.917 1.00 1.00 H new ATOM 0 HD1 PHE A 729 4.651 3.917 -4.610 1.00 1.00 H new ATOM 0 HD2 PHE A 729 1.052 4.766 -6.825 1.00 1.00 H new ATOM 0 HE1 PHE A 729 5.123 6.352 -4.448 1.00 1.00 H new ATOM 0 HE2 PHE A 729 1.551 7.196 -6.694 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.564 7.987 -5.481 1.00 1.00 H new ATOM 73 N ARG A 730 2.552 0.318 -8.005 1.00 1.00 N ATOM 74 CA ARG A 730 2.136 -1.010 -8.432 1.00 1.00 C ATOM 75 C ARG A 730 3.330 -1.951 -8.520 1.00 1.00 C ATOM 76 O ARG A 730 3.237 -3.038 -7.962 1.00 1.00 O ATOM 77 CB ARG A 730 1.324 -0.894 -9.730 1.00 1.00 C ATOM 78 CG ARG A 730 0.627 -2.172 -10.201 1.00 1.00 C ATOM 79 CD ARG A 730 1.565 -3.063 -11.021 1.00 1.00 C ATOM 80 NE ARG A 730 0.780 -3.997 -11.831 1.00 1.00 N ATOM 81 CZ ARG A 730 0.462 -3.836 -13.121 1.00 1.00 C ATOM 82 NH1 ARG A 730 0.955 -2.857 -13.868 1.00 1.00 N ATOM 83 NH2 ARG A 730 -0.395 -4.668 -13.682 1.00 1.00 N ATOM 0 H ARG A 730 2.250 1.067 -8.627 1.00 1.00 H new ATOM 0 HA ARG A 730 1.477 -1.460 -7.690 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.568 -0.120 -9.595 1.00 1.00 H new ATOM 0 HB3 ARG A 730 1.990 -0.554 -10.523 1.00 1.00 H new ATOM 0 HG2 ARG A 730 0.262 -2.727 -9.336 1.00 1.00 H new ATOM 0 HG3 ARG A 730 -0.244 -1.911 -10.802 1.00 1.00 H new ATOM 0 HD2 ARG A 730 2.194 -2.449 -11.665 1.00 1.00 H new ATOM 0 HD3 ARG A 730 2.231 -3.614 -10.357 1.00 1.00 H new ATOM 0 HE ARG A 730 0.446 -4.844 -11.372 1.00 1.00 H new ATOM 0 HH11 ARG A 730 1.607 -2.185 -13.463 1.00 1.00 H new ATOM 0 HH12 ARG A 730 0.682 -2.776 -14.847 1.00 1.00 H new ATOM 0 HH21 ARG A 730 -0.807 -5.423 -13.133 1.00 1.00 H new ATOM 0 HH22 ARG A 730 -0.646 -4.556 -14.664 1.00 1.00 H new ATOM 97 N ALA A 731 4.443 -1.559 -9.142 1.00 1.00 N ATOM 98 CA ALA A 731 5.641 -2.391 -9.158 1.00 1.00 C ATOM 99 C ALA A 731 6.145 -2.671 -7.748 1.00 1.00 C ATOM 100 O ALA A 731 6.482 -3.819 -7.449 1.00 1.00 O ATOM 101 CB ALA A 731 6.753 -1.725 -9.974 1.00 1.00 C ATOM 0 H ALA A 731 4.537 -0.673 -9.639 1.00 1.00 H new ATOM 0 HA ALA A 731 5.369 -3.338 -9.624 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.637 -2.363 -9.973 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.414 -1.578 -10.999 1.00 1.00 H new ATOM 0 HB3 ALA A 731 7.001 -0.760 -9.532 1.00 1.00 H new ATOM 107 N MET A 732 6.182 -1.654 -6.882 1.00 1.00 N ATOM 108 CA MET A 732 6.586 -1.842 -5.492 1.00 1.00 C ATOM 109 C MET A 732 5.698 -2.878 -4.788 1.00 1.00 C ATOM 110 O MET A 732 6.210 -3.797 -4.143 1.00 1.00 O ATOM 111 CB MET A 732 6.573 -0.499 -4.756 1.00 1.00 C ATOM 112 CG MET A 732 7.632 0.477 -5.286 1.00 1.00 C ATOM 113 SD MET A 732 7.348 2.222 -4.868 1.00 1.00 S ATOM 114 CE MET A 732 8.167 2.301 -3.255 1.00 1.00 C ATOM 0 H MET A 732 5.937 -0.694 -7.122 1.00 1.00 H new ATOM 0 HA MET A 732 7.604 -2.232 -5.476 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.586 -0.046 -4.853 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.742 -0.670 -3.693 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.605 0.180 -4.896 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.681 0.382 -6.371 1.00 1.00 H new ATOM 0 HE1 MET A 732 8.085 3.311 -2.855 1.00 1.00 H new ATOM 0 HE2 MET A 732 7.690 1.600 -2.570 1.00 1.00 H new ATOM 0 HE3 MET A 732 9.219 2.040 -3.368 1.00 1.00 H new ATOM 124 N ILE A 733 4.375 -2.759 -4.928 1.00 1.00 N ATOM 125 CA ILE A 733 3.423 -3.715 -4.368 1.00 1.00 C ATOM 126 C ILE A 733 3.627 -5.099 -4.982 1.00 1.00 C ATOM 127 O ILE A 733 3.546 -6.088 -4.264 1.00 1.00 O ATOM 128 CB ILE A 733 1.937 -3.258 -4.440 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.742 -1.771 -4.070 1.00 1.00 C ATOM 130 CG2 ILE A 733 1.091 -4.130 -3.500 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.435 -1.325 -3.414 1.00 1.00 C ATOM 0 H ILE A 733 3.935 -1.992 -5.436 1.00 1.00 H new ATOM 0 HA ILE A 733 3.641 -3.769 -3.301 1.00 1.00 H new ATOM 0 HB ILE A 733 1.617 -3.375 -5.475 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.556 -1.491 -3.401 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.865 -1.188 -4.983 1.00 1.00 H new ATOM 0 HG21 ILE A 733 0.049 -3.812 -3.548 1.00 1.00 H new ATOM 0 HG22 ILE A 733 1.167 -5.174 -3.805 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.456 -4.024 -2.478 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.471 -0.252 -3.224 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.400 -1.548 -4.078 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.301 -1.856 -2.472 1.00 1.00 H new ATOM 143 N VAL A 734 3.907 -5.199 -6.277 1.00 1.00 N ATOM 144 CA VAL A 734 4.118 -6.490 -6.924 1.00 1.00 C ATOM 145 C VAL A 734 5.385 -7.153 -6.365 1.00 1.00 C ATOM 146 O VAL A 734 5.383 -8.365 -6.158 1.00 1.00 O ATOM 147 CB VAL A 734 4.068 -6.330 -8.454 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.531 -7.586 -9.192 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.624 -6.064 -8.918 1.00 1.00 C ATOM 0 H VAL A 734 3.993 -4.398 -6.902 1.00 1.00 H new ATOM 0 HA VAL A 734 3.310 -7.184 -6.691 1.00 1.00 H new ATOM 0 HB VAL A 734 4.733 -5.498 -8.686 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.475 -7.417 -10.267 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.560 -7.813 -8.913 1.00 1.00 H new ATOM 0 HG13 VAL A 734 3.888 -8.424 -8.922 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.605 -5.953 -10.002 1.00 1.00 H new ATOM 0 HG22 VAL A 734 1.989 -6.901 -8.628 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.255 -5.150 -8.453 1.00 1.00 H new ATOM 159 N GLU A 735 6.434 -6.392 -6.038 1.00 1.00 N ATOM 160 CA GLU A 735 7.617 -6.960 -5.397 1.00 1.00 C ATOM 161 C GLU A 735 7.225 -7.490 -4.015 1.00 1.00 C ATOM 162 O GLU A 735 7.553 -8.617 -3.646 1.00 1.00 O ATOM 163 CB GLU A 735 8.712 -5.890 -5.314 1.00 1.00 C ATOM 164 CG GLU A 735 9.899 -6.320 -4.443 1.00 1.00 C ATOM 165 CD GLU A 735 11.029 -5.306 -4.527 1.00 1.00 C ATOM 166 OE1 GLU A 735 11.015 -4.343 -3.723 1.00 1.00 O ATOM 167 OE2 GLU A 735 11.900 -5.453 -5.419 1.00 1.00 O ATOM 0 H GLU A 735 6.485 -5.387 -6.207 1.00 1.00 H new ATOM 0 HA GLU A 735 8.012 -7.792 -5.979 1.00 1.00 H new ATOM 0 HB2 GLU A 735 9.068 -5.663 -6.319 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.286 -4.971 -4.911 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.576 -6.425 -3.407 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.257 -7.297 -4.766 1.00 1.00 H new ATOM 174 N PHE A 736 6.475 -6.691 -3.258 1.00 1.00 N ATOM 175 CA PHE A 736 5.936 -7.077 -1.962 1.00 1.00 C ATOM 176 C PHE A 736 5.035 -8.318 -2.071 1.00 1.00 C ATOM 177 O PHE A 736 4.984 -9.109 -1.129 1.00 1.00 O ATOM 178 CB PHE A 736 5.249 -5.844 -1.373 1.00 1.00 C ATOM 179 CG PHE A 736 4.391 -6.038 -0.142 1.00 1.00 C ATOM 180 CD1 PHE A 736 4.935 -6.603 1.024 1.00 1.00 C ATOM 181 CD2 PHE A 736 3.054 -5.596 -0.150 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.132 -6.757 2.165 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.255 -5.732 0.996 1.00 1.00 C ATOM 184 CZ PHE A 736 2.792 -6.335 2.143 1.00 1.00 C ATOM 0 H PHE A 736 6.223 -5.742 -3.536 1.00 1.00 H new ATOM 0 HA PHE A 736 6.725 -7.390 -1.278 1.00 1.00 H new ATOM 0 HB2 PHE A 736 6.021 -5.113 -1.132 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.625 -5.404 -2.151 1.00 1.00 H new ATOM 0 HD1 PHE A 736 5.968 -6.918 1.042 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.641 -5.150 -1.043 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.544 -7.200 3.060 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.236 -5.375 0.995 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.171 -6.476 3.015 1.00 1.00 H new ATOM 194 N MET A 737 4.364 -8.534 -3.206 1.00 1.00 N ATOM 195 CA MET A 737 3.572 -9.727 -3.474 1.00 1.00 C ATOM 196 C MET A 737 4.468 -10.934 -3.672 1.00 1.00 C ATOM 197 O MET A 737 4.275 -11.933 -2.981 1.00 1.00 O ATOM 198 CB MET A 737 2.616 -9.531 -4.653 1.00 1.00 C ATOM 199 CG MET A 737 1.422 -8.663 -4.253 1.00 1.00 C ATOM 200 SD MET A 737 -0.035 -8.874 -5.291 1.00 1.00 S ATOM 201 CE MET A 737 0.632 -8.349 -6.890 1.00 1.00 C ATOM 0 H MET A 737 4.359 -7.867 -3.978 1.00 1.00 H new ATOM 0 HA MET A 737 2.949 -9.911 -2.599 1.00 1.00 H new ATOM 0 HB2 MET A 737 3.147 -9.065 -5.483 1.00 1.00 H new ATOM 0 HB3 MET A 737 2.263 -10.501 -5.005 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.153 -8.890 -3.221 1.00 1.00 H new ATOM 0 HG3 MET A 737 1.724 -7.616 -4.281 1.00 1.00 H new ATOM 0 HE1 MET A 737 -0.151 -8.402 -7.646 1.00 1.00 H new ATOM 0 HE2 MET A 737 0.994 -7.324 -6.814 1.00 1.00 H new ATOM 0 HE3 MET A 737 1.455 -9.004 -7.174 1.00 1.00 H new ATOM 211 N ALA A 738 5.463 -10.830 -4.556 1.00 1.00 N ATOM 212 CA ALA A 738 6.430 -11.892 -4.789 1.00 1.00 C ATOM 213 C ALA A 738 7.123 -12.293 -3.481 1.00 1.00 C ATOM 214 O ALA A 738 7.353 -13.481 -3.238 1.00 1.00 O ATOM 215 CB ALA A 738 7.441 -11.426 -5.843 1.00 1.00 C ATOM 0 H ALA A 738 5.617 -10.001 -5.130 1.00 1.00 H new ATOM 0 HA ALA A 738 5.917 -12.778 -5.163 1.00 1.00 H new ATOM 0 HB1 ALA A 738 8.169 -12.217 -6.023 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.919 -11.195 -6.771 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.955 -10.534 -5.485 1.00 1.00 H new ATOM 221 N SER A 739 7.446 -11.303 -2.649 1.00 1.00 N ATOM 222 CA SER A 739 8.126 -11.471 -1.379 1.00 1.00 C ATOM 223 C SER A 739 7.197 -12.013 -0.286 1.00 1.00 C ATOM 224 O SER A 739 7.633 -12.822 0.529 1.00 1.00 O ATOM 225 CB SER A 739 8.718 -10.114 -0.992 1.00 1.00 C ATOM 226 OG SER A 739 9.840 -10.247 -0.146 1.00 1.00 O ATOM 0 H SER A 739 7.230 -10.328 -2.855 1.00 1.00 H new ATOM 0 HA SER A 739 8.915 -12.216 -1.482 1.00 1.00 H new ATOM 0 HB2 SER A 739 9.006 -9.574 -1.894 1.00 1.00 H new ATOM 0 HB3 SER A 739 7.956 -9.516 -0.492 1.00 1.00 H new ATOM 0 HG SER A 739 10.189 -9.359 0.076 1.00 1.00 H new ATOM 232 N LYS A 740 5.928 -11.578 -0.229 1.00 1.00 N ATOM 233 CA LYS A 740 4.918 -11.946 0.777 1.00 1.00 C ATOM 234 C LYS A 740 5.476 -11.945 2.205 1.00 1.00 C ATOM 235 O LYS A 740 5.282 -12.904 2.957 1.00 1.00 O ATOM 236 CB LYS A 740 4.112 -13.204 0.370 1.00 1.00 C ATOM 237 CG LYS A 740 4.987 -14.420 0.027 1.00 1.00 C ATOM 238 CD LYS A 740 4.168 -15.656 -0.360 1.00 1.00 C ATOM 239 CE LYS A 740 5.095 -16.836 -0.683 1.00 1.00 C ATOM 240 NZ LYS A 740 5.936 -16.590 -1.874 1.00 1.00 N ATOM 0 H LYS A 740 5.559 -10.925 -0.920 1.00 1.00 H new ATOM 0 HA LYS A 740 4.171 -11.153 0.798 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.439 -13.471 1.184 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.490 -12.962 -0.492 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.654 -14.161 -0.795 1.00 1.00 H new ATOM 0 HG3 LYS A 740 5.616 -14.661 0.884 1.00 1.00 H new ATOM 0 HD2 LYS A 740 3.498 -15.925 0.456 1.00 1.00 H new ATOM 0 HD3 LYS A 740 3.543 -15.430 -1.224 1.00 1.00 H new ATOM 0 HE2 LYS A 740 5.737 -17.034 0.175 1.00 1.00 H new ATOM 0 HE3 LYS A 740 4.494 -17.731 -0.846 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 6.402 -17.475 -2.159 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 5.341 -16.246 -2.654 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 6.658 -15.876 -1.648 1.00 1.00 H new ATOM 253 N LYS A 741 6.173 -10.862 2.577 1.00 1.00 N ATOM 254 CA LYS A 741 6.792 -10.699 3.887 1.00 1.00 C ATOM 255 C LYS A 741 5.725 -10.655 4.982 1.00 1.00 C ATOM 256 O LYS A 741 5.466 -11.695 5.579 1.00 1.00 O ATOM 257 CB LYS A 741 7.688 -9.460 3.867 1.00 1.00 C ATOM 258 CG LYS A 741 9.046 -9.761 3.225 1.00 1.00 C ATOM 259 CD LYS A 741 10.034 -10.388 4.217 1.00 1.00 C ATOM 260 CE LYS A 741 11.367 -10.602 3.508 1.00 1.00 C ATOM 261 NZ LYS A 741 12.364 -11.255 4.377 1.00 1.00 N ATOM 0 H LYS A 741 6.321 -10.064 1.960 1.00 1.00 H new ATOM 0 HA LYS A 741 7.424 -11.556 4.118 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.193 -8.660 3.316 1.00 1.00 H new ATOM 0 HB3 LYS A 741 7.837 -9.101 4.885 1.00 1.00 H new ATOM 0 HG2 LYS A 741 8.905 -10.436 2.381 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.470 -8.839 2.828 1.00 1.00 H new ATOM 0 HD2 LYS A 741 10.166 -9.738 5.082 1.00 1.00 H new ATOM 0 HD3 LYS A 741 9.646 -11.337 4.588 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.209 -11.211 2.618 1.00 1.00 H new ATOM 0 HE3 LYS A 741 11.756 -9.641 3.171 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 13.253 -11.380 3.852 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 12.536 -10.662 5.214 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 12.007 -12.184 4.678 1.00 1.00 H new ATOM 274 N MET A 742 5.093 -9.497 5.203 1.00 1.00 N ATOM 275 CA MET A 742 3.974 -9.234 6.114 1.00 1.00 C ATOM 276 C MET A 742 3.254 -7.942 5.749 1.00 1.00 C ATOM 277 O MET A 742 2.039 -7.966 5.555 1.00 1.00 O ATOM 278 CB MET A 742 4.389 -9.141 7.599 1.00 1.00 C ATOM 279 CG MET A 742 4.556 -10.466 8.339 1.00 1.00 C ATOM 280 SD MET A 742 3.011 -11.399 8.571 1.00 1.00 S ATOM 281 CE MET A 742 3.085 -12.643 7.252 1.00 1.00 C ATOM 0 H MET A 742 5.374 -8.650 4.709 1.00 1.00 H new ATOM 0 HA MET A 742 3.315 -10.094 5.995 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.331 -8.595 7.657 1.00 1.00 H new ATOM 0 HB3 MET A 742 3.643 -8.546 8.126 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.263 -11.088 7.790 1.00 1.00 H new ATOM 0 HG3 MET A 742 4.997 -10.269 9.316 1.00 1.00 H new ATOM 0 HE1 MET A 742 2.402 -13.460 7.484 1.00 1.00 H new ATOM 0 HE2 MET A 742 2.796 -12.187 6.305 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.101 -13.030 7.174 1.00 1.00 H new ATOM 291 N GLN A 743 3.959 -6.812 5.705 1.00 1.00 N ATOM 292 CA GLN A 743 3.390 -5.487 5.475 1.00 1.00 C ATOM 293 C GLN A 743 4.373 -4.551 4.768 1.00 1.00 C ATOM 294 O GLN A 743 5.575 -4.815 4.757 1.00 1.00 O ATOM 295 CB GLN A 743 2.867 -4.912 6.806 1.00 1.00 C ATOM 296 CG GLN A 743 3.855 -4.945 7.988 1.00 1.00 C ATOM 297 CD GLN A 743 5.058 -4.026 7.811 1.00 1.00 C ATOM 298 OE1 GLN A 743 6.205 -4.467 7.786 1.00 1.00 O ATOM 299 NE2 GLN A 743 4.824 -2.732 7.723 1.00 1.00 N ATOM 0 H GLN A 743 4.971 -6.794 5.832 1.00 1.00 H new ATOM 0 HA GLN A 743 2.545 -5.581 4.793 1.00 1.00 H new ATOM 0 HB2 GLN A 743 2.565 -3.878 6.639 1.00 1.00 H new ATOM 0 HB3 GLN A 743 1.971 -5.464 7.091 1.00 1.00 H new ATOM 0 HG2 GLN A 743 3.326 -4.664 8.899 1.00 1.00 H new ATOM 0 HG3 GLN A 743 4.208 -5.967 8.126 1.00 1.00 H new ATOM 0 HE21 GLN A 743 3.865 -2.384 7.745 1.00 1.00 H new ATOM 0 HE22 GLN A 743 5.602 -2.078 7.632 1.00 1.00 H new ATOM 308 N LEU A 744 3.867 -3.461 4.195 1.00 1.00 N ATOM 309 CA LEU A 744 4.636 -2.399 3.568 1.00 1.00 C ATOM 310 C LEU A 744 3.929 -1.103 3.949 1.00 1.00 C ATOM 311 O LEU A 744 2.723 -0.953 3.737 1.00 1.00 O ATOM 312 CB LEU A 744 4.697 -2.610 2.044 1.00 1.00 C ATOM 313 CG LEU A 744 5.785 -1.791 1.310 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.782 -2.171 -0.173 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.648 -0.270 1.428 1.00 1.00 C ATOM 0 H LEU A 744 2.862 -3.290 4.156 1.00 1.00 H new ATOM 0 HA LEU A 744 5.673 -2.380 3.904 1.00 1.00 H new ATOM 0 HB2 LEU A 744 4.866 -3.668 1.846 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.726 -2.357 1.619 1.00 1.00 H new ATOM 0 HG LEU A 744 6.723 -2.045 1.803 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.547 -1.598 -0.697 1.00 1.00 H new ATOM 0 HD12 LEU A 744 5.992 -3.236 -0.276 1.00 1.00 H new ATOM 0 HD13 LEU A 744 4.805 -1.951 -0.603 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.458 0.212 0.880 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.691 0.043 1.011 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.698 0.019 2.478 1.00 1.00 H new ATOM 327 N GLU A 745 4.667 -0.179 4.551 1.00 1.00 N ATOM 328 CA GLU A 745 4.214 1.131 4.949 1.00 1.00 C ATOM 329 C GLU A 745 4.556 2.090 3.805 1.00 1.00 C ATOM 330 O GLU A 745 5.736 2.353 3.567 1.00 1.00 O ATOM 331 CB GLU A 745 4.992 1.490 6.223 1.00 1.00 C ATOM 332 CG GLU A 745 4.520 0.727 7.465 1.00 1.00 C ATOM 333 CD GLU A 745 5.687 0.467 8.418 1.00 1.00 C ATOM 334 OE1 GLU A 745 6.427 -0.507 8.161 1.00 1.00 O ATOM 335 OE2 GLU A 745 5.881 1.197 9.422 1.00 1.00 O ATOM 0 H GLU A 745 5.647 -0.340 4.783 1.00 1.00 H new ATOM 0 HA GLU A 745 3.143 1.181 5.147 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.051 1.286 6.062 1.00 1.00 H new ATOM 0 HB3 GLU A 745 4.898 2.560 6.407 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.747 1.300 7.977 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.070 -0.220 7.167 1.00 1.00 H new ATOM 342 N PHE A 746 3.561 2.670 3.135 1.00 1.00 N ATOM 343 CA PHE A 746 3.764 3.656 2.074 1.00 1.00 C ATOM 344 C PHE A 746 3.706 5.050 2.736 1.00 1.00 C ATOM 345 O PHE A 746 2.982 5.231 3.726 1.00 1.00 O ATOM 346 CB PHE A 746 2.765 3.443 0.920 1.00 1.00 C ATOM 347 CG PHE A 746 3.148 2.358 -0.071 1.00 1.00 C ATOM 348 CD1 PHE A 746 4.073 2.654 -1.093 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.569 1.074 -0.011 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.438 1.675 -2.030 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.932 0.096 -0.955 1.00 1.00 C ATOM 352 CZ PHE A 746 3.871 0.395 -1.958 1.00 1.00 C ATOM 0 H PHE A 746 2.578 2.466 3.316 1.00 1.00 H new ATOM 0 HA PHE A 746 4.738 3.549 1.595 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.791 3.199 1.344 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.651 4.383 0.380 1.00 1.00 H new ATOM 0 HD1 PHE A 746 4.504 3.642 -1.155 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.848 0.841 0.759 1.00 1.00 H new ATOM 0 HE1 PHE A 746 5.154 1.907 -2.805 1.00 1.00 H new ATOM 0 HE2 PHE A 746 2.488 -0.887 -0.909 1.00 1.00 H new ATOM 0 HZ PHE A 746 4.156 -0.362 -2.674 1.00 1.00 H new ATOM 362 N PRO A 747 4.461 6.034 2.218 1.00 1.00 N ATOM 363 CA PRO A 747 4.604 7.358 2.818 1.00 1.00 C ATOM 364 C PRO A 747 3.363 8.260 2.898 1.00 1.00 C ATOM 365 O PRO A 747 2.393 8.068 2.167 1.00 1.00 O ATOM 366 CB PRO A 747 5.732 8.029 2.021 1.00 1.00 C ATOM 367 CG PRO A 747 5.686 7.364 0.652 1.00 1.00 C ATOM 368 CD PRO A 747 5.238 5.946 0.987 1.00 1.00 C ATOM 0 HA PRO A 747 4.811 7.216 3.879 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.577 9.105 1.944 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.699 7.880 2.501 1.00 1.00 H new ATOM 0 HG2 PRO A 747 4.986 7.863 -0.018 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.660 7.377 0.162 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.637 5.528 0.179 1.00 1.00 H new ATOM 0 HD3 PRO A 747 6.098 5.289 1.118 1.00 1.00 H new ATOM 376 N PRO A 748 3.426 9.312 3.743 1.00 1.00 N ATOM 377 CA PRO A 748 2.390 10.339 3.867 1.00 1.00 C ATOM 378 C PRO A 748 2.285 11.194 2.604 1.00 1.00 C ATOM 379 O PRO A 748 1.256 11.818 2.358 1.00 1.00 O ATOM 380 CB PRO A 748 2.835 11.243 5.023 1.00 1.00 C ATOM 381 CG PRO A 748 4.348 11.064 5.067 1.00 1.00 C ATOM 382 CD PRO A 748 4.515 9.605 4.671 1.00 1.00 C ATOM 0 HA PRO A 748 1.419 9.872 4.031 1.00 1.00 H new ATOM 0 HB2 PRO A 748 2.561 12.283 4.845 1.00 1.00 H new ATOM 0 HB3 PRO A 748 2.370 10.947 5.963 1.00 1.00 H new ATOM 0 HG2 PRO A 748 4.857 11.734 4.374 1.00 1.00 H new ATOM 0 HG3 PRO A 748 4.752 11.265 6.059 1.00 1.00 H new ATOM 0 HD2 PRO A 748 5.484 9.437 4.201 1.00 1.00 H new ATOM 0 HD3 PRO A 748 4.468 8.956 5.545 1.00 1.00 H new ATOM 390 N SER A 749 3.368 11.254 1.829 1.00 1.00 N ATOM 391 CA SER A 749 3.549 12.077 0.649 1.00 1.00 C ATOM 392 C SER A 749 2.478 11.880 -0.423 1.00 1.00 C ATOM 393 O SER A 749 2.275 12.773 -1.240 1.00 1.00 O ATOM 394 CB SER A 749 4.941 11.783 0.086 1.00 1.00 C ATOM 395 OG SER A 749 5.875 11.698 1.153 1.00 1.00 O ATOM 0 H SER A 749 4.193 10.688 2.029 1.00 1.00 H new ATOM 0 HA SER A 749 3.450 13.120 0.949 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.928 10.849 -0.475 1.00 1.00 H new ATOM 0 HB3 SER A 749 5.237 12.569 -0.609 1.00 1.00 H new ATOM 0 HG SER A 749 6.766 11.508 0.793 1.00 1.00 H new ATOM 401 N LEU A 750 1.798 10.732 -0.450 1.00 1.00 N ATOM 402 CA LEU A 750 0.791 10.407 -1.447 1.00 1.00 C ATOM 403 C LEU A 750 -0.404 11.345 -1.273 1.00 1.00 C ATOM 404 O LEU A 750 -1.094 11.278 -0.256 1.00 1.00 O ATOM 405 CB LEU A 750 0.452 8.915 -1.312 1.00 1.00 C ATOM 406 CG LEU A 750 1.454 7.933 -1.986 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.622 8.579 -2.743 1.00 1.00 C ATOM 408 CD2 LEU A 750 2.047 6.938 -0.992 1.00 1.00 C ATOM 0 H LEU A 750 1.939 9.991 0.237 1.00 1.00 H new ATOM 0 HA LEU A 750 1.146 10.561 -2.466 1.00 1.00 H new ATOM 0 HB2 LEU A 750 0.389 8.670 -0.252 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -0.537 8.746 -1.738 1.00 1.00 H new ATOM 0 HG LEU A 750 0.824 7.435 -2.722 1.00 1.00 H new ATOM 0 HD11 LEU A 750 3.254 7.800 -3.170 1.00 1.00 H new ATOM 0 HD12 LEU A 750 2.233 9.210 -3.542 1.00 1.00 H new ATOM 0 HD13 LEU A 750 3.210 9.186 -2.055 1.00 1.00 H new ATOM 0 HD21 LEU A 750 2.740 6.275 -1.510 1.00 1.00 H new ATOM 0 HD22 LEU A 750 2.579 7.479 -0.210 1.00 1.00 H new ATOM 0 HD23 LEU A 750 1.246 6.349 -0.545 1.00 1.00 H new ATOM 420 N ASN A 751 -0.646 12.210 -2.267 1.00 1.00 N ATOM 421 CA ASN A 751 -1.671 13.260 -2.217 1.00 1.00 C ATOM 422 C ASN A 751 -3.069 12.675 -2.036 1.00 1.00 C ATOM 423 O ASN A 751 -3.662 12.794 -0.964 1.00 1.00 O ATOM 424 CB ASN A 751 -1.636 14.130 -3.481 1.00 1.00 C ATOM 425 CG ASN A 751 -0.440 15.067 -3.535 1.00 1.00 C ATOM 426 OD1 ASN A 751 0.648 14.668 -3.933 1.00 1.00 O ATOM 427 ND2 ASN A 751 -0.605 16.315 -3.149 1.00 1.00 N ATOM 0 H ASN A 751 -0.125 12.199 -3.144 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.443 13.882 -1.352 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -1.622 13.483 -4.358 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.552 14.718 -3.534 1.00 1.00 H new ATOM 0 HD21 ASN A 751 0.180 16.966 -3.179 1.00 1.00 H new ATOM 0 HD22 ASN A 751 -1.518 16.631 -2.820 1.00 1.00 H new ATOM 434 N SER A 752 -3.594 12.039 -3.085 1.00 1.00 N ATOM 435 CA SER A 752 -4.867 11.334 -3.057 1.00 1.00 C ATOM 436 C SER A 752 -4.806 10.130 -3.980 1.00 1.00 C ATOM 437 O SER A 752 -4.798 9.002 -3.493 1.00 1.00 O ATOM 438 CB SER A 752 -6.025 12.257 -3.451 1.00 1.00 C ATOM 439 OG SER A 752 -6.366 13.138 -2.395 1.00 1.00 O ATOM 0 H SER A 752 -3.133 12.002 -3.994 1.00 1.00 H new ATOM 0 HA SER A 752 -5.050 10.995 -2.037 1.00 1.00 H new ATOM 0 HB2 SER A 752 -5.748 12.834 -4.333 1.00 1.00 H new ATOM 0 HB3 SER A 752 -6.894 11.658 -3.722 1.00 1.00 H new ATOM 0 HG SER A 752 -5.644 13.150 -1.733 1.00 1.00 H new ATOM 445 N HIS A 753 -4.686 10.362 -5.297 1.00 1.00 N ATOM 446 CA HIS A 753 -4.732 9.297 -6.296 1.00 1.00 C ATOM 447 C HIS A 753 -3.692 8.219 -6.017 1.00 1.00 C ATOM 448 O HIS A 753 -3.924 7.049 -6.302 1.00 1.00 O ATOM 449 CB HIS A 753 -4.477 9.819 -7.720 1.00 1.00 C ATOM 450 CG HIS A 753 -5.163 11.084 -8.171 1.00 1.00 C ATOM 451 ND1 HIS A 753 -4.692 11.884 -9.187 1.00 1.00 N ATOM 452 CD2 HIS A 753 -6.347 11.621 -7.735 1.00 1.00 C ATOM 453 CE1 HIS A 753 -5.558 12.886 -9.367 1.00 1.00 C ATOM 454 NE2 HIS A 753 -6.563 12.791 -8.476 1.00 1.00 N ATOM 0 H HIS A 753 -4.555 11.293 -5.693 1.00 1.00 H new ATOM 0 HA HIS A 753 -5.739 8.884 -6.229 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.403 9.972 -7.827 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -4.757 9.028 -8.415 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -6.991 11.219 -6.967 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -5.465 13.658 -10.117 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -7.336 13.447 -8.362 1.00 1.00 H new ATOM 462 N ASP A 754 -2.530 8.614 -5.508 1.00 1.00 N ATOM 463 CA ASP A 754 -1.383 7.772 -5.257 1.00 1.00 C ATOM 464 C ASP A 754 -1.737 6.781 -4.141 1.00 1.00 C ATOM 465 O ASP A 754 -1.605 5.568 -4.300 1.00 1.00 O ATOM 466 CB ASP A 754 -0.219 8.697 -4.864 1.00 1.00 C ATOM 467 CG ASP A 754 -0.068 9.940 -5.739 1.00 1.00 C ATOM 468 OD1 ASP A 754 -0.831 10.899 -5.464 1.00 1.00 O ATOM 469 OD2 ASP A 754 0.755 9.941 -6.677 1.00 1.00 O ATOM 0 H ASP A 754 -2.362 9.586 -5.248 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.094 7.190 -6.132 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.356 9.012 -3.830 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.709 8.127 -4.903 1.00 1.00 H new ATOM 474 N ARG A 755 -2.256 7.292 -3.018 1.00 1.00 N ATOM 475 CA ARG A 755 -2.667 6.489 -1.869 1.00 1.00 C ATOM 476 C ARG A 755 -3.857 5.618 -2.253 1.00 1.00 C ATOM 477 O ARG A 755 -3.868 4.424 -1.964 1.00 1.00 O ATOM 478 CB ARG A 755 -3.022 7.405 -0.683 1.00 1.00 C ATOM 479 CG ARG A 755 -3.372 6.568 0.554 1.00 1.00 C ATOM 480 CD ARG A 755 -3.788 7.390 1.782 1.00 1.00 C ATOM 481 NE ARG A 755 -5.199 7.793 1.696 1.00 1.00 N ATOM 482 CZ ARG A 755 -5.695 8.899 1.136 1.00 1.00 C ATOM 483 NH1 ARG A 755 -4.908 9.890 0.733 1.00 1.00 N ATOM 484 NH2 ARG A 755 -7.003 9.003 0.968 1.00 1.00 N ATOM 0 H ARG A 755 -2.403 8.292 -2.884 1.00 1.00 H new ATOM 0 HA ARG A 755 -1.843 5.843 -1.566 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.182 8.062 -0.459 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -3.865 8.044 -0.948 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -4.182 5.886 0.298 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -2.510 5.955 0.818 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -3.629 6.804 2.687 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -3.158 8.276 1.861 1.00 1.00 H new ATOM 0 HE ARG A 755 -5.877 7.154 2.112 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -3.897 9.818 0.848 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -5.314 10.724 0.308 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -7.617 8.245 1.265 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -7.397 9.842 0.542 1.00 1.00 H new ATOM 498 N LEU A 756 -4.861 6.218 -2.891 1.00 1.00 N ATOM 499 CA LEU A 756 -6.036 5.537 -3.412 1.00 1.00 C ATOM 500 C LEU A 756 -5.613 4.350 -4.270 1.00 1.00 C ATOM 501 O LEU A 756 -6.150 3.258 -4.117 1.00 1.00 O ATOM 502 CB LEU A 756 -6.912 6.559 -4.116 1.00 1.00 C ATOM 503 CG LEU A 756 -8.074 5.980 -4.947 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.252 6.958 -4.922 1.00 1.00 C ATOM 505 CD2 LEU A 756 -7.681 5.740 -6.411 1.00 1.00 C ATOM 0 H LEU A 756 -4.875 7.223 -3.063 1.00 1.00 H new ATOM 0 HA LEU A 756 -6.642 5.105 -2.616 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.326 7.234 -3.367 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.283 7.159 -4.773 1.00 1.00 H new ATOM 0 HG LEU A 756 -8.343 5.022 -4.502 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.075 6.551 -5.509 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -9.579 7.107 -3.893 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -8.941 7.913 -5.346 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -8.533 5.332 -6.954 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -7.379 6.683 -6.866 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -6.852 5.034 -6.454 1.00 1.00 H new ATOM 517 N ARG A 757 -4.615 4.528 -5.134 1.00 1.00 N ATOM 518 CA ARG A 757 -4.097 3.444 -5.948 1.00 1.00 C ATOM 519 C ARG A 757 -3.470 2.352 -5.099 1.00 1.00 C ATOM 520 O ARG A 757 -3.779 1.191 -5.329 1.00 1.00 O ATOM 521 CB ARG A 757 -3.142 3.989 -6.993 1.00 1.00 C ATOM 522 CG ARG A 757 -2.632 2.946 -7.989 1.00 1.00 C ATOM 523 CD ARG A 757 -3.794 2.261 -8.721 1.00 1.00 C ATOM 524 NE ARG A 757 -3.330 1.396 -9.808 1.00 1.00 N ATOM 525 CZ ARG A 757 -4.083 0.492 -10.440 1.00 1.00 C ATOM 526 NH1 ARG A 757 -5.395 0.453 -10.254 1.00 1.00 N ATOM 527 NH2 ARG A 757 -3.495 -0.367 -11.257 1.00 1.00 N ATOM 0 H ARG A 757 -4.150 5.423 -5.285 1.00 1.00 H new ATOM 0 HA ARG A 757 -4.929 2.974 -6.471 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -3.642 4.786 -7.544 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.288 4.439 -6.487 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -1.973 3.424 -8.714 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -2.038 2.198 -7.464 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -4.371 1.670 -8.010 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -4.465 3.020 -9.124 1.00 1.00 H new ATOM 0 HE ARG A 757 -2.359 1.491 -10.105 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -5.841 1.118 -9.622 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -5.959 -0.242 -10.743 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -2.485 -0.331 -11.394 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -4.052 -1.065 -11.749 1.00 1.00 H new ATOM 541 N VAL A 758 -2.606 2.689 -4.144 1.00 1.00 N ATOM 542 CA VAL A 758 -2.045 1.691 -3.227 1.00 1.00 C ATOM 543 C VAL A 758 -3.175 0.833 -2.617 1.00 1.00 C ATOM 544 O VAL A 758 -3.110 -0.401 -2.682 1.00 1.00 O ATOM 545 CB VAL A 758 -1.147 2.391 -2.176 1.00 1.00 C ATOM 546 CG1 VAL A 758 -0.730 1.481 -1.012 1.00 1.00 C ATOM 547 CG2 VAL A 758 0.135 2.937 -2.826 1.00 1.00 C ATOM 0 H VAL A 758 -2.278 3.641 -3.983 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.401 0.997 -3.767 1.00 1.00 H new ATOM 0 HB VAL A 758 -1.762 3.197 -1.775 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.103 2.042 -0.318 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.619 1.125 -0.492 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.171 0.629 -1.399 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.748 3.424 -2.068 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.695 2.115 -3.273 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.128 3.660 -3.599 1.00 1.00 H new ATOM 557 N HIS A 759 -4.227 1.475 -2.089 1.00 1.00 N ATOM 558 CA HIS A 759 -5.403 0.786 -1.564 1.00 1.00 C ATOM 559 C HIS A 759 -6.034 -0.135 -2.616 1.00 1.00 C ATOM 560 O HIS A 759 -6.281 -1.305 -2.330 1.00 1.00 O ATOM 561 CB HIS A 759 -6.463 1.784 -1.076 1.00 1.00 C ATOM 562 CG HIS A 759 -6.139 2.610 0.144 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.032 2.167 1.444 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.076 3.975 0.178 1.00 1.00 C ATOM 565 CE1 HIS A 759 -5.871 3.243 2.234 1.00 1.00 C ATOM 566 NE2 HIS A 759 -5.923 4.368 1.509 1.00 1.00 N ATOM 0 H HIS A 759 -4.281 2.491 -2.016 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.060 0.183 -0.723 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -6.682 2.468 -1.896 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.378 1.228 -0.871 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.134 4.634 -0.675 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -5.721 3.205 3.303 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -5.863 5.324 1.860 1.00 1.00 H new ATOM 574 N GLN A 760 -6.305 0.381 -3.818 1.00 1.00 N ATOM 575 CA GLN A 760 -6.935 -0.346 -4.906 1.00 1.00 C ATOM 576 C GLN A 760 -6.187 -1.623 -5.277 1.00 1.00 C ATOM 577 O GLN A 760 -6.816 -2.668 -5.409 1.00 1.00 O ATOM 578 CB GLN A 760 -6.985 0.520 -6.168 1.00 1.00 C ATOM 579 CG GLN A 760 -8.099 1.553 -6.284 1.00 1.00 C ATOM 580 CD GLN A 760 -8.092 2.195 -7.677 1.00 1.00 C ATOM 581 OE1 GLN A 760 -7.168 2.007 -8.476 1.00 1.00 O ATOM 582 NE2 GLN A 760 -9.138 2.912 -8.036 1.00 1.00 N ATOM 0 H GLN A 760 -6.082 1.346 -4.061 1.00 1.00 H new ATOM 0 HA GLN A 760 -7.933 -0.602 -4.550 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.033 1.045 -6.251 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.057 -0.146 -7.027 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.063 1.079 -6.100 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -7.971 2.322 -5.522 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -9.901 3.067 -7.377 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -9.185 3.312 -8.973 1.00 1.00 H new ATOM 591 N ILE A 761 -4.883 -1.547 -5.542 1.00 1.00 N ATOM 592 CA ILE A 761 -4.020 -2.674 -5.859 1.00 1.00 C ATOM 593 C ILE A 761 -4.103 -3.696 -4.733 1.00 1.00 C ATOM 594 O ILE A 761 -4.306 -4.888 -4.983 1.00 1.00 O ATOM 595 CB ILE A 761 -2.600 -2.119 -6.069 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.629 -1.097 -7.223 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.595 -3.249 -6.359 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.286 -0.405 -7.435 1.00 1.00 C ATOM 0 H ILE A 761 -4.382 -0.658 -5.540 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.325 -3.189 -6.770 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.270 -1.626 -5.155 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.921 -1.603 -8.143 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.391 -0.345 -7.017 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.601 -2.824 -6.503 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.575 -3.943 -5.519 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -1.896 -3.781 -7.261 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.368 0.303 -8.260 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.004 0.127 -6.527 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.526 -1.150 -7.670 1.00 1.00 H new ATOM 610 N ALA A 762 -3.971 -3.233 -3.488 1.00 1.00 N ATOM 611 CA ALA A 762 -4.116 -4.128 -2.359 1.00 1.00 C ATOM 612 C ALA A 762 -5.465 -4.849 -2.369 1.00 1.00 C ATOM 613 O ALA A 762 -5.506 -6.046 -2.089 1.00 1.00 O ATOM 614 CB ALA A 762 -3.838 -3.350 -1.071 1.00 1.00 C ATOM 0 H ALA A 762 -3.768 -2.263 -3.248 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.381 -4.930 -2.427 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -3.945 -4.015 -0.214 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.823 -2.952 -1.098 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.548 -2.527 -0.982 1.00 1.00 H new ATOM 620 N GLU A 763 -6.540 -4.149 -2.731 1.00 1.00 N ATOM 621 CA GLU A 763 -7.871 -4.723 -2.784 1.00 1.00 C ATOM 622 C GLU A 763 -8.041 -5.689 -3.963 1.00 1.00 C ATOM 623 O GLU A 763 -8.726 -6.703 -3.827 1.00 1.00 O ATOM 624 CB GLU A 763 -8.912 -3.590 -2.897 1.00 1.00 C ATOM 625 CG GLU A 763 -10.287 -4.029 -2.381 1.00 1.00 C ATOM 626 CD GLU A 763 -11.406 -3.012 -2.625 1.00 1.00 C ATOM 627 OE1 GLU A 763 -11.182 -1.778 -2.565 1.00 1.00 O ATOM 628 OE2 GLU A 763 -12.556 -3.463 -2.842 1.00 1.00 O ATOM 0 H GLU A 763 -6.505 -3.165 -2.995 1.00 1.00 H new ATOM 0 HA GLU A 763 -8.021 -5.293 -1.867 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.570 -2.724 -2.330 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -8.997 -3.276 -3.937 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.558 -4.971 -2.858 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.215 -4.223 -1.311 1.00 1.00 H new ATOM 635 N GLU A 764 -7.459 -5.380 -5.124 1.00 1.00 N ATOM 636 CA GLU A 764 -7.468 -6.179 -6.325 1.00 1.00 C ATOM 637 C GLU A 764 -6.800 -7.524 -6.044 1.00 1.00 C ATOM 638 O GLU A 764 -7.236 -8.555 -6.564 1.00 1.00 O ATOM 639 CB GLU A 764 -6.715 -5.367 -7.393 1.00 1.00 C ATOM 640 CG GLU A 764 -6.683 -6.066 -8.744 1.00 1.00 C ATOM 641 CD GLU A 764 -5.824 -5.332 -9.786 1.00 1.00 C ATOM 642 OE1 GLU A 764 -6.063 -4.124 -10.038 1.00 1.00 O ATOM 643 OE2 GLU A 764 -4.881 -5.940 -10.346 1.00 1.00 O ATOM 0 H GLU A 764 -6.941 -4.510 -5.245 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.477 -6.397 -6.674 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -7.189 -4.392 -7.504 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.694 -5.189 -7.056 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -6.298 -7.078 -8.613 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -7.701 -6.158 -9.122 1.00 1.00 H new ATOM 650 N HIS A 765 -5.742 -7.512 -5.232 1.00 1.00 N ATOM 651 CA HIS A 765 -5.004 -8.680 -4.838 1.00 1.00 C ATOM 652 C HIS A 765 -5.583 -9.195 -3.515 1.00 1.00 C ATOM 653 O HIS A 765 -6.773 -9.056 -3.230 1.00 1.00 O ATOM 654 CB HIS A 765 -3.525 -8.310 -4.829 1.00 1.00 C ATOM 655 CG HIS A 765 -3.078 -7.726 -6.148 1.00 1.00 C ATOM 656 ND1 HIS A 765 -3.520 -8.044 -7.412 1.00 1.00 N ATOM 657 CD2 HIS A 765 -2.212 -6.688 -6.276 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.899 -7.225 -8.274 1.00 1.00 C ATOM 659 NE2 HIS A 765 -2.055 -6.398 -7.637 1.00 1.00 N ATOM 0 H HIS A 765 -5.375 -6.652 -4.825 1.00 1.00 H new ATOM 0 HA HIS A 765 -5.096 -9.517 -5.530 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.336 -7.591 -4.032 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.931 -9.196 -4.606 1.00 1.00 H new ATOM 0 HD1 HIS A 765 -4.196 -8.770 -7.650 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.725 -6.171 -5.462 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -3.058 -7.230 -9.342 1.00 1.00 H new ATOM 667 N GLY A 766 -4.737 -9.828 -2.718 1.00 1.00 N ATOM 668 CA GLY A 766 -5.025 -10.452 -1.453 1.00 1.00 C ATOM 669 C GLY A 766 -4.377 -9.692 -0.308 1.00 1.00 C ATOM 670 O GLY A 766 -3.683 -10.301 0.526 1.00 1.00 O ATOM 0 H GLY A 766 -3.752 -9.922 -2.967 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -6.104 -10.493 -1.302 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -4.664 -11.481 -1.461 1.00 1.00 H new ATOM 674 N LEU A 767 -4.503 -8.357 -0.309 1.00 1.00 N ATOM 675 CA LEU A 767 -3.832 -7.549 0.688 1.00 1.00 C ATOM 676 C LEU A 767 -4.836 -6.734 1.482 1.00 1.00 C ATOM 677 O LEU A 767 -5.860 -6.286 0.962 1.00 1.00 O ATOM 678 CB LEU A 767 -2.846 -6.551 0.053 1.00 1.00 C ATOM 679 CG LEU A 767 -1.998 -6.981 -1.146 1.00 1.00 C ATOM 680 CD1 LEU A 767 -1.004 -5.893 -1.560 1.00 1.00 C ATOM 681 CD2 LEU A 767 -1.148 -8.185 -0.824 1.00 1.00 C ATOM 0 H LEU A 767 -5.058 -7.831 -0.984 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.293 -8.246 1.330 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.420 -5.676 -0.251 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.161 -6.227 0.837 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.716 -7.192 -1.938 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.422 -6.238 -2.414 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.547 -4.988 -1.833 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.334 -5.677 -0.728 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.560 -8.460 -1.700 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.478 -7.947 0.002 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.791 -9.019 -0.542 1.00 1.00 H new ATOM 693 N ARG A 768 -4.539 -6.547 2.761 1.00 1.00 N ATOM 694 CA ARG A 768 -5.315 -5.683 3.632 1.00 1.00 C ATOM 695 C ARG A 768 -4.708 -4.311 3.331 1.00 1.00 C ATOM 696 O ARG A 768 -3.510 -4.226 3.055 1.00 1.00 O ATOM 697 CB ARG A 768 -5.115 -6.116 5.094 1.00 1.00 C ATOM 698 CG ARG A 768 -5.834 -5.218 6.107 1.00 1.00 C ATOM 699 CD ARG A 768 -5.868 -5.868 7.503 1.00 1.00 C ATOM 700 NE ARG A 768 -7.026 -6.754 7.700 1.00 1.00 N ATOM 701 CZ ARG A 768 -8.297 -6.367 7.902 1.00 1.00 C ATOM 702 NH1 ARG A 768 -8.644 -5.084 7.896 1.00 1.00 N ATOM 703 NH2 ARG A 768 -9.231 -7.280 8.119 1.00 1.00 N ATOM 0 H ARG A 768 -3.748 -6.994 3.223 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.394 -5.703 3.476 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.471 -7.139 5.212 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -4.049 -6.121 5.319 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.329 -4.254 6.164 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -6.852 -5.025 5.768 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -4.952 -6.439 7.654 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -5.884 -5.085 8.261 1.00 1.00 H new ATOM 0 HE ARG A 768 -6.847 -7.758 7.681 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -7.938 -4.366 7.735 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -9.616 -4.818 8.052 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -8.984 -8.269 8.132 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -10.198 -6.994 8.273 1.00 1.00 H new ATOM 717 N HIS A 769 -5.481 -3.236 3.374 1.00 1.00 N ATOM 718 CA HIS A 769 -4.993 -1.887 3.114 1.00 1.00 C ATOM 719 C HIS A 769 -5.627 -1.003 4.173 1.00 1.00 C ATOM 720 O HIS A 769 -6.831 -1.108 4.415 1.00 1.00 O ATOM 721 CB HIS A 769 -5.407 -1.434 1.705 1.00 1.00 C ATOM 722 CG HIS A 769 -6.825 -1.765 1.297 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.983 -1.098 1.651 1.00 1.00 N ATOM 724 CD2 HIS A 769 -7.188 -2.849 0.542 1.00 1.00 C ATOM 725 CE1 HIS A 769 -9.017 -1.787 1.143 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.579 -2.850 0.448 1.00 1.00 N ATOM 0 H HIS A 769 -6.476 -3.275 3.593 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.905 -1.836 3.158 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.272 -0.355 1.637 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.726 -1.887 0.984 1.00 1.00 H new ATOM 0 HD1 HIS A 769 -8.041 -0.239 2.198 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.518 -3.572 0.100 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -10.056 -1.524 1.275 1.00 1.00 H new ATOM 734 N ASP A 770 -4.847 -0.146 4.817 1.00 1.00 N ATOM 735 CA ASP A 770 -5.315 0.691 5.905 1.00 1.00 C ATOM 736 C ASP A 770 -4.393 1.904 6.027 1.00 1.00 C ATOM 737 O ASP A 770 -3.410 2.019 5.295 1.00 1.00 O ATOM 738 CB ASP A 770 -5.321 -0.128 7.202 1.00 1.00 C ATOM 739 CG ASP A 770 -6.436 0.352 8.125 1.00 1.00 C ATOM 740 OD1 ASP A 770 -6.354 1.452 8.709 1.00 1.00 O ATOM 741 OD2 ASP A 770 -7.476 -0.337 8.204 1.00 1.00 O ATOM 0 H ASP A 770 -3.861 -0.013 4.594 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.329 1.040 5.712 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.459 -1.185 6.972 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.358 -0.034 7.704 1.00 1.00 H new ATOM 746 N SER A 771 -4.704 2.831 6.921 1.00 1.00 N ATOM 747 CA SER A 771 -3.858 3.971 7.215 1.00 1.00 C ATOM 748 C SER A 771 -3.369 3.767 8.645 1.00 1.00 C ATOM 749 O SER A 771 -4.113 3.286 9.506 1.00 1.00 O ATOM 750 CB SER A 771 -4.608 5.284 7.011 1.00 1.00 C ATOM 751 OG SER A 771 -5.425 5.243 5.846 1.00 1.00 O ATOM 0 H SER A 771 -5.564 2.809 7.469 1.00 1.00 H new ATOM 0 HA SER A 771 -3.007 4.038 6.537 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.227 5.490 7.884 1.00 1.00 H new ATOM 0 HB3 SER A 771 -3.894 6.103 6.927 1.00 1.00 H new ATOM 0 HG SER A 771 -5.893 6.098 5.745 1.00 1.00 H new ATOM 757 N SER A 772 -2.160 4.208 8.926 1.00 1.00 N ATOM 758 CA SER A 772 -1.484 3.997 10.196 1.00 1.00 C ATOM 759 C SER A 772 -0.836 5.295 10.655 1.00 1.00 C ATOM 760 O SER A 772 -0.767 6.251 9.883 1.00 1.00 O ATOM 761 CB SER A 772 -0.451 2.893 9.985 1.00 1.00 C ATOM 762 OG SER A 772 -1.054 1.694 9.546 1.00 1.00 O ATOM 0 H SER A 772 -1.601 4.740 8.259 1.00 1.00 H new ATOM 0 HA SER A 772 -2.184 3.695 10.975 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.287 3.219 9.252 1.00 1.00 H new ATOM 0 HB3 SER A 772 0.084 2.712 10.917 1.00 1.00 H new ATOM 0 HG SER A 772 -0.627 0.932 9.989 1.00 1.00 H new ATOM 768 N GLY A 773 -0.419 5.349 11.916 1.00 1.00 N ATOM 769 CA GLY A 773 0.131 6.532 12.553 1.00 1.00 C ATOM 770 C GLY A 773 -0.847 6.999 13.619 1.00 1.00 C ATOM 771 O GLY A 773 -2.039 6.671 13.574 1.00 1.00 O ATOM 0 H GLY A 773 -0.457 4.543 12.539 1.00 1.00 H new ATOM 0 HA2 GLY A 773 1.100 6.307 12.999 1.00 1.00 H new ATOM 0 HA3 GLY A 773 0.294 7.319 11.816 1.00 1.00 H new ATOM 775 N GLU A 774 -0.373 7.812 14.556 1.00 1.00 N ATOM 776 CA GLU A 774 -1.130 8.267 15.716 1.00 1.00 C ATOM 777 C GLU A 774 -1.160 9.794 15.879 1.00 1.00 C ATOM 778 O GLU A 774 -2.207 10.364 16.219 1.00 1.00 O ATOM 779 CB GLU A 774 -0.521 7.521 16.909 1.00 1.00 C ATOM 780 CG GLU A 774 -0.986 8.030 18.268 1.00 1.00 C ATOM 781 CD GLU A 774 -0.962 6.926 19.316 1.00 1.00 C ATOM 782 OE1 GLU A 774 0.022 6.156 19.389 1.00 1.00 O ATOM 783 OE2 GLU A 774 -1.963 6.825 20.061 1.00 1.00 O ATOM 0 H GLU A 774 0.577 8.184 14.529 1.00 1.00 H new ATOM 0 HA GLU A 774 -2.190 8.036 15.611 1.00 1.00 H new ATOM 0 HB2 GLU A 774 -0.768 6.463 16.826 1.00 1.00 H new ATOM 0 HB3 GLU A 774 0.565 7.600 16.856 1.00 1.00 H new ATOM 0 HG2 GLU A 774 -0.345 8.851 18.589 1.00 1.00 H new ATOM 0 HG3 GLU A 774 -1.997 8.429 18.182 1.00 1.00 H new ATOM 790 N GLY A 775 -0.025 10.457 15.664 1.00 1.00 N ATOM 791 CA GLY A 775 0.111 11.907 15.746 1.00 1.00 C ATOM 792 C GLY A 775 -0.002 12.514 14.355 1.00 1.00 C ATOM 793 O GLY A 775 -0.679 11.968 13.477 1.00 1.00 O ATOM 0 H GLY A 775 0.847 9.987 15.422 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -0.661 12.318 16.396 1.00 1.00 H new ATOM 0 HA3 GLY A 775 1.072 12.167 16.189 1.00 1.00 H new ATOM 797 N LYS A 776 0.661 13.649 14.122 1.00 1.00 N ATOM 798 CA LYS A 776 0.750 14.297 12.805 1.00 1.00 C ATOM 799 C LYS A 776 1.744 13.516 11.923 1.00 1.00 C ATOM 800 O LYS A 776 2.575 14.105 11.234 1.00 1.00 O ATOM 801 CB LYS A 776 1.133 15.786 12.961 1.00 1.00 C ATOM 802 CG LYS A 776 -0.041 16.706 13.328 1.00 1.00 C ATOM 803 CD LYS A 776 -0.690 16.388 14.677 1.00 1.00 C ATOM 804 CE LYS A 776 -1.484 17.599 15.162 1.00 1.00 C ATOM 805 NZ LYS A 776 -2.309 17.257 16.329 1.00 1.00 N ATOM 0 H LYS A 776 1.161 14.155 14.854 1.00 1.00 H new ATOM 0 HA LYS A 776 -0.221 14.278 12.310 1.00 1.00 H new ATOM 0 HB2 LYS A 776 1.901 15.873 13.729 1.00 1.00 H new ATOM 0 HB3 LYS A 776 1.575 16.135 12.028 1.00 1.00 H new ATOM 0 HG2 LYS A 776 0.311 17.738 13.341 1.00 1.00 H new ATOM 0 HG3 LYS A 776 -0.799 16.638 12.548 1.00 1.00 H new ATOM 0 HD2 LYS A 776 -1.348 15.524 14.581 1.00 1.00 H new ATOM 0 HD3 LYS A 776 0.075 16.126 15.407 1.00 1.00 H new ATOM 0 HE2 LYS A 776 -0.799 18.407 15.421 1.00 1.00 H new ATOM 0 HE3 LYS A 776 -2.121 17.966 14.357 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 -2.838 18.097 16.638 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 -2.977 16.502 16.073 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 -1.697 16.929 17.103 1.00 1.00 H new ATOM 818 N ARG A 777 1.697 12.184 11.975 1.00 1.00 N ATOM 819 CA ARG A 777 2.550 11.261 11.248 1.00 1.00 C ATOM 820 C ARG A 777 1.678 10.126 10.717 1.00 1.00 C ATOM 821 O ARG A 777 1.945 8.960 10.991 1.00 1.00 O ATOM 822 CB ARG A 777 3.695 10.743 12.130 1.00 1.00 C ATOM 823 CG ARG A 777 4.501 11.830 12.856 1.00 1.00 C ATOM 824 CD ARG A 777 5.813 11.256 13.400 1.00 1.00 C ATOM 825 NE ARG A 777 6.844 11.219 12.349 1.00 1.00 N ATOM 826 CZ ARG A 777 7.443 10.143 11.822 1.00 1.00 C ATOM 827 NH1 ARG A 777 7.113 8.917 12.207 1.00 1.00 N ATOM 828 NH2 ARG A 777 8.384 10.311 10.900 1.00 1.00 N ATOM 0 H ARG A 777 1.020 11.698 12.563 1.00 1.00 H new ATOM 0 HA ARG A 777 3.025 11.773 10.411 1.00 1.00 H new ATOM 0 HB2 ARG A 777 3.281 10.062 12.874 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.376 10.161 11.509 1.00 1.00 H new ATOM 0 HG2 ARG A 777 4.713 12.651 12.171 1.00 1.00 H new ATOM 0 HG3 ARG A 777 3.911 12.242 13.675 1.00 1.00 H new ATOM 0 HD2 ARG A 777 6.161 11.862 14.236 1.00 1.00 H new ATOM 0 HD3 ARG A 777 5.643 10.250 13.785 1.00 1.00 H new ATOM 0 HE ARG A 777 7.138 12.122 11.977 1.00 1.00 H new ATOM 0 HH11 ARG A 777 6.392 8.782 12.916 1.00 1.00 H new ATOM 0 HH12 ARG A 777 7.580 8.110 11.794 1.00 1.00 H new ATOM 0 HH21 ARG A 777 8.643 11.251 10.601 1.00 1.00 H new ATOM 0 HH22 ARG A 777 8.848 9.500 10.491 1.00 1.00 H new ATOM 842 N ARG A 778 0.561 10.446 10.058 1.00 1.00 N ATOM 843 CA ARG A 778 -0.275 9.430 9.424 1.00 1.00 C ATOM 844 C ARG A 778 0.434 8.950 8.160 1.00 1.00 C ATOM 845 O ARG A 778 1.221 9.697 7.585 1.00 1.00 O ATOM 846 CB ARG A 778 -1.667 10.007 9.134 1.00 1.00 C ATOM 847 CG ARG A 778 -2.692 8.916 8.769 1.00 1.00 C ATOM 848 CD ARG A 778 -4.133 9.388 8.991 1.00 1.00 C ATOM 849 NE ARG A 778 -4.371 9.663 10.414 1.00 1.00 N ATOM 850 CZ ARG A 778 -5.300 10.465 10.930 1.00 1.00 C ATOM 851 NH1 ARG A 778 -6.301 10.934 10.198 1.00 1.00 N ATOM 852 NH2 ARG A 778 -5.200 10.795 12.202 1.00 1.00 N ATOM 0 H ARG A 778 0.217 11.400 9.951 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.422 8.574 10.083 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -2.019 10.555 10.008 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -1.597 10.724 8.316 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -2.561 8.629 7.726 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.505 8.026 9.370 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -4.322 10.287 8.404 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -4.829 8.626 8.640 1.00 1.00 H new ATOM 0 HE ARG A 778 -3.759 9.189 11.078 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -6.374 10.682 9.212 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -6.998 11.547 10.621 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -4.426 10.438 12.762 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -5.896 11.408 12.626 1.00 1.00 H new ATOM 866 N PHE A 779 0.189 7.726 7.716 1.00 1.00 N ATOM 867 CA PHE A 779 0.722 7.160 6.484 1.00 1.00 C ATOM 868 C PHE A 779 -0.195 6.027 6.007 1.00 1.00 C ATOM 869 O PHE A 779 -1.214 5.740 6.641 1.00 1.00 O ATOM 870 CB PHE A 779 2.179 6.725 6.710 1.00 1.00 C ATOM 871 CG PHE A 779 2.433 5.892 7.948 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.748 6.534 9.155 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.382 4.487 7.903 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.957 5.791 10.325 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.625 3.741 9.069 1.00 1.00 C ATOM 876 CZ PHE A 779 2.888 4.391 10.286 1.00 1.00 C ATOM 0 H PHE A 779 -0.410 7.074 8.223 1.00 1.00 H new ATOM 0 HA PHE A 779 0.741 7.902 5.685 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.508 6.158 5.839 1.00 1.00 H new ATOM 0 HB3 PHE A 779 2.801 7.618 6.762 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.830 7.611 9.183 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.157 3.983 6.975 1.00 1.00 H new ATOM 0 HE1 PHE A 779 3.171 6.296 11.255 1.00 1.00 H new ATOM 0 HE2 PHE A 779 2.609 2.662 9.029 1.00 1.00 H new ATOM 0 HZ PHE A 779 3.036 3.815 11.188 1.00 1.00 H new ATOM 886 N ILE A 780 0.150 5.383 4.892 1.00 1.00 N ATOM 887 CA ILE A 780 -0.553 4.240 4.305 1.00 1.00 C ATOM 888 C ILE A 780 0.171 2.945 4.647 1.00 1.00 C ATOM 889 O ILE A 780 1.378 2.924 4.878 1.00 1.00 O ATOM 890 CB ILE A 780 -0.905 4.522 2.823 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.383 3.308 1.990 1.00 1.00 C ATOM 892 CG2 ILE A 780 0.083 5.410 2.068 1.00 1.00 C ATOM 893 CD1 ILE A 780 -2.757 2.758 2.340 1.00 1.00 C ATOM 0 H ILE A 780 0.967 5.657 4.346 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.536 4.089 4.752 1.00 1.00 H new ATOM 0 HB ILE A 780 -1.800 5.132 2.943 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -1.385 3.593 0.938 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -0.653 2.506 2.102 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.258 5.543 1.041 1.00 1.00 H new ATOM 0 HG22 ILE A 780 0.147 6.382 2.558 1.00 1.00 H new ATOM 0 HG23 ILE A 780 1.066 4.940 2.065 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -2.986 1.911 1.693 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -2.764 2.432 3.380 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -3.507 3.536 2.198 1.00 1.00 H new ATOM 905 N THR A 781 -0.570 1.854 4.764 1.00 1.00 N ATOM 906 CA THR A 781 -0.065 0.550 5.134 1.00 1.00 C ATOM 907 C THR A 781 -0.873 -0.482 4.372 1.00 1.00 C ATOM 908 O THR A 781 -2.087 -0.353 4.220 1.00 1.00 O ATOM 909 CB THR A 781 -0.227 0.386 6.652 1.00 1.00 C ATOM 910 OG1 THR A 781 0.657 1.278 7.302 1.00 1.00 O ATOM 911 CG2 THR A 781 0.058 -1.031 7.151 1.00 1.00 C ATOM 0 H THR A 781 -1.576 1.857 4.597 1.00 1.00 H new ATOM 0 HA THR A 781 0.990 0.428 4.888 1.00 1.00 H new ATOM 0 HB THR A 781 -1.270 0.601 6.883 1.00 1.00 H new ATOM 0 HG1 THR A 781 0.337 1.450 8.212 1.00 1.00 H new ATOM 0 HG21 THR A 781 -0.077 -1.070 8.232 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.629 -1.730 6.674 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.084 -1.305 6.903 1.00 1.00 H new ATOM 919 N VAL A 782 -0.200 -1.513 3.890 1.00 1.00 N ATOM 920 CA VAL A 782 -0.833 -2.638 3.238 1.00 1.00 C ATOM 921 C VAL A 782 -0.159 -3.888 3.788 1.00 1.00 C ATOM 922 O VAL A 782 1.029 -3.850 4.122 1.00 1.00 O ATOM 923 CB VAL A 782 -0.774 -2.495 1.703 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.690 -1.389 1.179 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.605 -2.103 1.197 1.00 1.00 C ATOM 0 H VAL A 782 0.816 -1.590 3.943 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.900 -2.696 3.451 1.00 1.00 H new ATOM 0 HB VAL A 782 -1.073 -3.481 1.349 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.608 -1.333 0.094 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.721 -1.610 1.454 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.394 -0.435 1.615 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.583 -2.018 0.111 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.893 -1.145 1.630 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.329 -2.865 1.487 1.00 1.00 H new ATOM 935 N SER A 783 -0.905 -4.984 3.893 1.00 1.00 N ATOM 936 CA SER A 783 -0.433 -6.223 4.499 1.00 1.00 C ATOM 937 C SER A 783 -0.790 -7.394 3.600 1.00 1.00 C ATOM 938 O SER A 783 -1.886 -7.446 3.057 1.00 1.00 O ATOM 939 CB SER A 783 -1.005 -6.400 5.908 1.00 1.00 C ATOM 940 OG SER A 783 -0.995 -5.171 6.622 1.00 1.00 O ATOM 0 H SER A 783 -1.866 -5.036 3.555 1.00 1.00 H new ATOM 0 HA SER A 783 0.651 -6.180 4.600 1.00 1.00 H new ATOM 0 HB2 SER A 783 -2.025 -6.779 5.845 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.421 -7.144 6.450 1.00 1.00 H new ATOM 0 HG SER A 783 -1.367 -5.310 7.518 1.00 1.00 H new ATOM 946 N LYS A 784 0.136 -8.327 3.423 1.00 1.00 N ATOM 947 CA LYS A 784 -0.027 -9.510 2.582 1.00 1.00 C ATOM 948 C LYS A 784 -0.724 -10.601 3.335 1.00 1.00 C ATOM 949 O LYS A 784 -0.287 -10.901 4.449 1.00 1.00 O ATOM 950 CB LYS A 784 1.332 -10.061 2.131 1.00 1.00 C ATOM 951 CG LYS A 784 1.897 -9.310 0.928 1.00 1.00 C ATOM 952 CD LYS A 784 1.726 -10.052 -0.411 1.00 1.00 C ATOM 953 CE LYS A 784 0.466 -10.917 -0.635 1.00 1.00 C ATOM 954 NZ LYS A 784 0.774 -12.258 -1.175 1.00 1.00 N ATOM 0 H LYS A 784 1.050 -8.282 3.874 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.614 -9.204 1.716 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.039 -9.999 2.959 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.227 -11.117 1.880 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.409 -8.338 0.858 1.00 1.00 H new ATOM 0 HG3 LYS A 784 2.958 -9.123 1.095 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.759 -9.307 -1.206 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.595 -10.697 -0.543 1.00 1.00 H new ATOM 0 HE2 LYS A 784 -0.066 -11.025 0.310 1.00 1.00 H new ATOM 0 HE3 LYS A 784 -0.205 -10.401 -1.321 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 -0.112 -12.760 -1.384 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 1.331 -12.161 -2.048 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 1.321 -12.797 -0.474 1.00 1.00 H new ATOM 967 N ARG A 785 -1.805 -11.169 2.791 1.00 1.00 N ATOM 968 CA ARG A 785 -2.353 -12.311 3.504 1.00 1.00 C ATOM 969 C ARG A 785 -1.421 -13.437 3.070 1.00 1.00 C ATOM 970 O ARG A 785 -1.358 -13.751 1.880 1.00 1.00 O ATOM 971 CB ARG A 785 -3.834 -12.491 3.151 1.00 1.00 C ATOM 972 CG ARG A 785 -4.573 -11.335 3.843 1.00 1.00 C ATOM 973 CD ARG A 785 -6.071 -11.296 3.590 1.00 1.00 C ATOM 974 NE ARG A 785 -6.684 -10.329 4.514 1.00 1.00 N ATOM 975 CZ ARG A 785 -7.739 -9.543 4.283 1.00 1.00 C ATOM 976 NH1 ARG A 785 -8.387 -9.573 3.129 1.00 1.00 N ATOM 977 NH2 ARG A 785 -8.127 -8.721 5.247 1.00 1.00 N ATOM 0 H ARG A 785 -2.280 -10.885 1.934 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.377 -12.235 4.591 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -3.985 -12.461 2.072 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.204 -13.455 3.498 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -4.402 -11.404 4.917 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.138 -10.393 3.510 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -6.272 -11.011 2.557 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.504 -12.285 3.737 1.00 1.00 H new ATOM 0 HE ARG A 785 -6.255 -10.250 5.436 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -8.084 -10.207 2.390 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -9.190 -8.962 2.979 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -7.624 -8.701 6.134 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -8.929 -8.108 5.102 1.00 1.00 H new ATOM 991 N ALA A 786 -0.637 -13.965 4.007 1.00 1.00 N ATOM 992 CA ALA A 786 0.334 -15.015 3.762 1.00 1.00 C ATOM 993 C ALA A 786 -0.407 -16.331 3.695 1.00 1.00 C ATOM 994 O ALA A 786 0.015 -17.207 2.915 1.00 1.00 O ATOM 995 CB ALA A 786 1.384 -15.025 4.878 1.00 1.00 C ATOM 0 H ALA A 786 -0.664 -13.663 4.981 1.00 1.00 H new ATOM 0 HA ALA A 786 0.857 -14.846 2.821 1.00 1.00 H new ATOM 0 HB1 ALA A 786 2.110 -15.816 4.688 1.00 1.00 H new ATOM 0 HB2 ALA A 786 1.895 -14.063 4.906 1.00 1.00 H new ATOM 0 HB3 ALA A 786 0.895 -15.204 5.836 1.00 1.00 H new