USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 772 SER OG : rot -118:sc= 1.05 USER MOD Set 1.2: A 781 THR OG1 : rot 110:sc= 1.15 USER MOD Set 2.1: A 759 HIS : no HD1:sc= -0.343 K(o=-0.47,f=-2.2) USER MOD Set 2.2: A 769 HIS : no HD1:sc= -0.127 X(o=-0.47,f=-0.54) USER MOD Set 3.1: A 737 MET CE :methyl -170:sc= -0.609 (180deg=-0.875) USER MOD Set 3.2: A 765 HIS : no HD1:sc= -0.509 X(o=0.055,f=-0.17) USER MOD Set 3.3: A 784 LYS NZ :NH3+ 157:sc= 1.17 (180deg=0.229) USER MOD Single : A 728 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD Single : A 732 MET CE :methyl 174:sc= 0 (180deg=-0.038) USER MOD Single : A 739 SER OG : rot 180:sc= 0 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl 163:sc= 0 (180deg=-0.538) USER MOD Single : A 743 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.3) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0639 USER MOD Single : A 751 ASN : amide:sc=-0.00368 X(o=-0.0037,f=-0.06) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 HIS : no HD1:sc= -0.0405 K(o=-0.041,f=-0.87) USER MOD Single : A 760 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 776 LYS NZ :NH3+ -165:sc= -0.0467 (180deg=-0.317) USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 725 -3.034 6.722 -11.229 1.00 1.00 N ATOM 2 CA GLY A 725 -2.210 5.708 -10.558 1.00 1.00 C ATOM 3 C GLY A 725 -0.866 5.576 -11.253 1.00 1.00 C ATOM 4 O GLY A 725 -0.806 5.036 -12.357 1.00 1.00 O ATOM 0 HA2 GLY A 725 -2.062 5.983 -9.514 1.00 1.00 H new ATOM 0 HA3 GLY A 725 -2.726 4.748 -10.564 1.00 1.00 H new ATOM 8 N VAL A 726 0.211 6.065 -10.635 1.00 1.00 N ATOM 9 CA VAL A 726 1.565 5.929 -11.161 1.00 1.00 C ATOM 10 C VAL A 726 1.974 4.455 -11.095 1.00 1.00 C ATOM 11 O VAL A 726 1.688 3.780 -10.101 1.00 1.00 O ATOM 12 CB VAL A 726 2.572 6.819 -10.413 1.00 1.00 C ATOM 13 CG1 VAL A 726 3.691 7.239 -11.374 1.00 1.00 C ATOM 14 CG2 VAL A 726 1.972 8.082 -9.773 1.00 1.00 C ATOM 0 H VAL A 726 0.165 6.569 -9.750 1.00 1.00 H new ATOM 0 HA VAL A 726 1.572 6.268 -12.197 1.00 1.00 H new ATOM 0 HB VAL A 726 2.944 6.209 -9.590 1.00 1.00 H new ATOM 0 HG11 VAL A 726 4.406 7.870 -10.846 1.00 1.00 H new ATOM 0 HG12 VAL A 726 4.199 6.351 -11.751 1.00 1.00 H new ATOM 0 HG13 VAL A 726 3.264 7.795 -12.209 1.00 1.00 H new ATOM 0 HG21 VAL A 726 2.759 8.644 -9.269 1.00 1.00 H new ATOM 0 HG22 VAL A 726 1.521 8.703 -10.547 1.00 1.00 H new ATOM 0 HG23 VAL A 726 1.210 7.796 -9.048 1.00 1.00 H new ATOM 24 N ASP A 727 2.662 3.965 -12.129 1.00 1.00 N ATOM 25 CA ASP A 727 3.031 2.554 -12.233 1.00 1.00 C ATOM 26 C ASP A 727 3.983 2.116 -11.122 1.00 1.00 C ATOM 27 O ASP A 727 3.910 0.980 -10.659 1.00 1.00 O ATOM 28 CB ASP A 727 3.686 2.273 -13.587 1.00 1.00 C ATOM 29 CG ASP A 727 3.716 0.767 -13.831 1.00 1.00 C ATOM 30 OD1 ASP A 727 2.648 0.244 -14.224 1.00 1.00 O ATOM 31 OD2 ASP A 727 4.774 0.123 -13.663 1.00 1.00 O ATOM 0 H ASP A 727 2.977 4.534 -12.914 1.00 1.00 H new ATOM 0 HA ASP A 727 2.108 1.983 -12.133 1.00 1.00 H new ATOM 0 HB2 ASP A 727 3.131 2.771 -14.382 1.00 1.00 H new ATOM 0 HB3 ASP A 727 4.699 2.676 -13.604 1.00 1.00 H new ATOM 36 N HIS A 728 4.831 3.040 -10.656 1.00 1.00 N ATOM 37 CA HIS A 728 5.881 2.790 -9.673 1.00 1.00 C ATOM 38 C HIS A 728 5.338 2.111 -8.425 1.00 1.00 C ATOM 39 O HIS A 728 5.922 1.148 -7.932 1.00 1.00 O ATOM 40 CB HIS A 728 6.576 4.102 -9.280 1.00 1.00 C ATOM 41 CG HIS A 728 6.988 4.969 -10.440 1.00 1.00 C ATOM 42 ND1 HIS A 728 6.872 6.340 -10.489 1.00 1.00 N ATOM 43 CD2 HIS A 728 7.499 4.544 -11.637 1.00 1.00 C ATOM 44 CE1 HIS A 728 7.299 6.738 -11.698 1.00 1.00 C ATOM 45 NE2 HIS A 728 7.672 5.676 -12.437 1.00 1.00 N ATOM 0 H HIS A 728 4.801 4.012 -10.965 1.00 1.00 H new ATOM 0 HA HIS A 728 6.603 2.120 -10.140 1.00 1.00 H new ATOM 0 HB2 HIS A 728 5.906 4.673 -8.637 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.461 3.865 -8.689 1.00 1.00 H new ATOM 0 HD2 HIS A 728 7.726 3.524 -11.911 1.00 1.00 H new ATOM 0 HE1 HIS A 728 7.338 7.765 -12.031 1.00 1.00 H new ATOM 0 HE2 HIS A 728 8.015 5.695 -13.397 1.00 1.00 H new ATOM 53 N PHE A 729 4.197 2.595 -7.929 1.00 1.00 N ATOM 54 CA PHE A 729 3.568 2.006 -6.764 1.00 1.00 C ATOM 55 C PHE A 729 3.209 0.570 -7.047 1.00 1.00 C ATOM 56 O PHE A 729 3.524 -0.287 -6.233 1.00 1.00 O ATOM 57 CB PHE A 729 2.314 2.785 -6.366 1.00 1.00 C ATOM 58 CG PHE A 729 2.626 4.198 -5.953 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.394 4.415 -4.797 1.00 1.00 C ATOM 60 CD2 PHE A 729 2.194 5.285 -6.736 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.723 5.718 -4.409 1.00 1.00 C ATOM 62 CE2 PHE A 729 2.511 6.592 -6.336 1.00 1.00 C ATOM 63 CZ PHE A 729 3.256 6.805 -5.165 1.00 1.00 C ATOM 0 H PHE A 729 3.697 3.393 -8.322 1.00 1.00 H new ATOM 0 HA PHE A 729 4.275 2.048 -5.936 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.617 2.799 -7.204 1.00 1.00 H new ATOM 0 HB3 PHE A 729 1.815 2.271 -5.545 1.00 1.00 H new ATOM 0 HD1 PHE A 729 3.731 3.575 -4.207 1.00 1.00 H new ATOM 0 HD2 PHE A 729 1.623 5.114 -7.637 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.332 5.887 -3.533 1.00 1.00 H new ATOM 0 HE2 PHE A 729 2.182 7.433 -6.928 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.472 7.813 -4.843 1.00 1.00 H new ATOM 73 N ARG A 730 2.567 0.291 -8.184 1.00 1.00 N ATOM 74 CA ARG A 730 2.152 -1.067 -8.475 1.00 1.00 C ATOM 75 C ARG A 730 3.364 -1.974 -8.554 1.00 1.00 C ATOM 76 O ARG A 730 3.304 -3.045 -7.975 1.00 1.00 O ATOM 77 CB ARG A 730 1.273 -1.130 -9.726 1.00 1.00 C ATOM 78 CG ARG A 730 0.447 -2.424 -9.703 1.00 1.00 C ATOM 79 CD ARG A 730 -0.660 -2.421 -10.755 1.00 1.00 C ATOM 80 NE ARG A 730 -0.160 -2.826 -12.075 1.00 1.00 N ATOM 81 CZ ARG A 730 0.356 -2.047 -13.027 1.00 1.00 C ATOM 82 NH1 ARG A 730 0.409 -0.728 -12.885 1.00 1.00 N ATOM 83 NH2 ARG A 730 0.831 -2.607 -14.128 1.00 1.00 N ATOM 0 H ARG A 730 2.331 0.978 -8.900 1.00 1.00 H new ATOM 0 HA ARG A 730 1.528 -1.430 -7.659 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.612 -0.264 -9.764 1.00 1.00 H new ATOM 0 HB3 ARG A 730 1.893 -1.097 -10.622 1.00 1.00 H new ATOM 0 HG2 ARG A 730 1.105 -3.276 -9.873 1.00 1.00 H new ATOM 0 HG3 ARG A 730 0.006 -2.554 -8.715 1.00 1.00 H new ATOM 0 HD2 ARG A 730 -1.457 -3.097 -10.445 1.00 1.00 H new ATOM 0 HD3 ARG A 730 -1.095 -1.424 -10.822 1.00 1.00 H new ATOM 0 HE ARG A 730 -0.214 -3.822 -12.290 1.00 1.00 H new ATOM 0 HH11 ARG A 730 0.051 -0.292 -12.035 1.00 1.00 H new ATOM 0 HH12 ARG A 730 0.808 -0.151 -13.626 1.00 1.00 H new ATOM 0 HH21 ARG A 730 0.799 -3.620 -14.239 1.00 1.00 H new ATOM 0 HH22 ARG A 730 1.229 -2.025 -14.865 1.00 1.00 H new ATOM 97 N ALA A 731 4.465 -1.553 -9.172 1.00 1.00 N ATOM 98 CA ALA A 731 5.678 -2.354 -9.181 1.00 1.00 C ATOM 99 C ALA A 731 6.221 -2.593 -7.766 1.00 1.00 C ATOM 100 O ALA A 731 6.696 -3.697 -7.486 1.00 1.00 O ATOM 101 CB ALA A 731 6.718 -1.677 -10.076 1.00 1.00 C ATOM 0 H ALA A 731 4.539 -0.666 -9.670 1.00 1.00 H new ATOM 0 HA ALA A 731 5.444 -3.339 -9.585 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.631 -2.272 -10.088 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.326 -1.593 -11.090 1.00 1.00 H new ATOM 0 HB3 ALA A 731 6.939 -0.682 -9.689 1.00 1.00 H new ATOM 107 N MET A 732 6.156 -1.608 -6.860 1.00 1.00 N ATOM 108 CA MET A 732 6.559 -1.821 -5.472 1.00 1.00 C ATOM 109 C MET A 732 5.646 -2.860 -4.819 1.00 1.00 C ATOM 110 O MET A 732 6.125 -3.798 -4.179 1.00 1.00 O ATOM 111 CB MET A 732 6.520 -0.516 -4.673 1.00 1.00 C ATOM 112 CG MET A 732 7.671 0.436 -5.004 1.00 1.00 C ATOM 113 SD MET A 732 7.545 2.051 -4.185 1.00 1.00 S ATOM 114 CE MET A 732 7.866 1.589 -2.459 1.00 1.00 C ATOM 0 H MET A 732 5.830 -0.664 -7.066 1.00 1.00 H new ATOM 0 HA MET A 732 7.586 -2.186 -5.471 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.574 -0.010 -4.865 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.547 -0.750 -3.609 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.612 -0.034 -4.718 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.706 0.588 -6.083 1.00 1.00 H new ATOM 0 HE1 MET A 732 7.928 2.489 -1.847 1.00 1.00 H new ATOM 0 HE2 MET A 732 7.056 0.958 -2.095 1.00 1.00 H new ATOM 0 HE3 MET A 732 8.807 1.043 -2.398 1.00 1.00 H new ATOM 124 N ILE A 733 4.327 -2.714 -4.985 1.00 1.00 N ATOM 125 CA ILE A 733 3.384 -3.662 -4.411 1.00 1.00 C ATOM 126 C ILE A 733 3.592 -5.040 -5.028 1.00 1.00 C ATOM 127 O ILE A 733 3.501 -6.022 -4.308 1.00 1.00 O ATOM 128 CB ILE A 733 1.899 -3.207 -4.471 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.696 -1.706 -4.159 1.00 1.00 C ATOM 130 CG2 ILE A 733 1.081 -4.057 -3.489 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.417 -1.259 -3.441 1.00 1.00 C ATOM 0 H ILE A 733 3.897 -1.952 -5.509 1.00 1.00 H new ATOM 0 HA ILE A 733 3.602 -3.713 -3.344 1.00 1.00 H new ATOM 0 HB ILE A 733 1.560 -3.352 -5.497 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.543 -1.379 -3.556 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.749 -1.164 -5.103 1.00 1.00 H new ATOM 0 HG21 ILE A 733 0.037 -3.747 -3.522 1.00 1.00 H new ATOM 0 HG22 ILE A 733 1.156 -5.108 -3.767 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.468 -3.920 -2.479 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.437 -0.178 -3.301 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.451 -1.532 -4.041 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.355 -1.749 -2.469 1.00 1.00 H new ATOM 143 N VAL A 734 3.889 -5.150 -6.317 1.00 1.00 N ATOM 144 CA VAL A 734 4.108 -6.433 -6.972 1.00 1.00 C ATOM 145 C VAL A 734 5.373 -7.102 -6.411 1.00 1.00 C ATOM 146 O VAL A 734 5.368 -8.321 -6.232 1.00 1.00 O ATOM 147 CB VAL A 734 4.032 -6.278 -8.499 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.455 -7.554 -9.227 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.577 -5.997 -8.926 1.00 1.00 C ATOM 0 H VAL A 734 3.985 -4.348 -6.940 1.00 1.00 H new ATOM 0 HA VAL A 734 3.307 -7.135 -6.742 1.00 1.00 H new ATOM 0 HB VAL A 734 4.703 -5.460 -8.760 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.386 -7.399 -10.304 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.483 -7.801 -8.961 1.00 1.00 H new ATOM 0 HG13 VAL A 734 3.798 -8.374 -8.936 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.530 -5.888 -10.010 1.00 1.00 H new ATOM 0 HG22 VAL A 734 1.941 -6.826 -8.617 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.230 -5.078 -8.454 1.00 1.00 H new ATOM 159 N GLU A 735 6.431 -6.348 -6.081 1.00 1.00 N ATOM 160 CA GLU A 735 7.603 -6.930 -5.433 1.00 1.00 C ATOM 161 C GLU A 735 7.134 -7.518 -4.098 1.00 1.00 C ATOM 162 O GLU A 735 7.371 -8.688 -3.799 1.00 1.00 O ATOM 163 CB GLU A 735 8.685 -5.854 -5.213 1.00 1.00 C ATOM 164 CG GLU A 735 9.967 -6.417 -4.580 1.00 1.00 C ATOM 165 CD GLU A 735 10.777 -5.351 -3.837 1.00 1.00 C ATOM 166 OE1 GLU A 735 11.326 -4.422 -4.478 1.00 1.00 O ATOM 167 OE2 GLU A 735 10.901 -5.422 -2.591 1.00 1.00 O ATOM 0 H GLU A 735 6.495 -5.344 -6.252 1.00 1.00 H new ATOM 0 HA GLU A 735 8.047 -7.707 -6.055 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.930 -5.392 -6.169 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.284 -5.068 -4.573 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.704 -7.216 -3.887 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.587 -6.861 -5.359 1.00 1.00 H new ATOM 174 N PHE A 736 6.407 -6.718 -3.316 1.00 1.00 N ATOM 175 CA PHE A 736 5.869 -7.127 -2.029 1.00 1.00 C ATOM 176 C PHE A 736 4.896 -8.309 -2.154 1.00 1.00 C ATOM 177 O PHE A 736 4.885 -9.163 -1.270 1.00 1.00 O ATOM 178 CB PHE A 736 5.254 -5.882 -1.390 1.00 1.00 C ATOM 179 CG PHE A 736 4.433 -6.085 -0.141 1.00 1.00 C ATOM 180 CD1 PHE A 736 4.997 -6.722 0.980 1.00 1.00 C ATOM 181 CD2 PHE A 736 3.126 -5.564 -0.077 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.236 -6.870 2.149 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.378 -5.689 1.103 1.00 1.00 C ATOM 184 CZ PHE A 736 2.929 -6.363 2.201 1.00 1.00 C ATOM 0 H PHE A 736 6.176 -5.757 -3.567 1.00 1.00 H new ATOM 0 HA PHE A 736 6.656 -7.513 -1.381 1.00 1.00 H new ATOM 0 HB2 PHE A 736 6.061 -5.188 -1.155 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.623 -5.396 -2.134 1.00 1.00 H new ATOM 0 HD1 PHE A 736 6.010 -7.095 0.940 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.700 -5.068 -0.937 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.656 -7.373 3.007 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.385 -5.269 1.165 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.341 -6.494 3.097 1.00 1.00 H new ATOM 194 N MET A 737 4.132 -8.416 -3.244 1.00 1.00 N ATOM 195 CA MET A 737 3.236 -9.523 -3.560 1.00 1.00 C ATOM 196 C MET A 737 4.031 -10.809 -3.680 1.00 1.00 C ATOM 197 O MET A 737 3.698 -11.793 -3.009 1.00 1.00 O ATOM 198 CB MET A 737 2.438 -9.266 -4.848 1.00 1.00 C ATOM 199 CG MET A 737 1.259 -8.304 -4.657 1.00 1.00 C ATOM 200 SD MET A 737 -0.150 -8.968 -3.739 1.00 1.00 S ATOM 201 CE MET A 737 -0.618 -10.308 -4.862 1.00 1.00 C ATOM 0 H MET A 737 4.124 -7.694 -3.965 1.00 1.00 H new ATOM 0 HA MET A 737 2.517 -9.614 -2.746 1.00 1.00 H new ATOM 0 HB2 MET A 737 3.108 -8.860 -5.606 1.00 1.00 H new ATOM 0 HB3 MET A 737 2.063 -10.216 -5.229 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.619 -7.414 -4.141 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.912 -7.984 -5.639 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.578 -10.722 -4.554 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.699 -9.920 -5.877 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.141 -11.090 -4.832 1.00 1.00 H new ATOM 211 N ALA A 738 5.073 -10.793 -4.516 1.00 1.00 N ATOM 212 CA ALA A 738 5.925 -11.944 -4.732 1.00 1.00 C ATOM 213 C ALA A 738 6.695 -12.302 -3.460 1.00 1.00 C ATOM 214 O ALA A 738 6.919 -13.484 -3.193 1.00 1.00 O ATOM 215 CB ALA A 738 6.891 -11.645 -5.877 1.00 1.00 C ATOM 0 H ALA A 738 5.342 -9.973 -5.060 1.00 1.00 H new ATOM 0 HA ALA A 738 5.305 -12.801 -4.994 1.00 1.00 H new ATOM 0 HB1 ALA A 738 7.535 -12.508 -6.044 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.325 -11.433 -6.784 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.503 -10.780 -5.620 1.00 1.00 H new ATOM 221 N SER A 739 7.118 -11.302 -2.686 1.00 1.00 N ATOM 222 CA SER A 739 7.899 -11.500 -1.476 1.00 1.00 C ATOM 223 C SER A 739 7.020 -12.067 -0.354 1.00 1.00 C ATOM 224 O SER A 739 7.439 -12.981 0.359 1.00 1.00 O ATOM 225 CB SER A 739 8.568 -10.165 -1.101 1.00 1.00 C ATOM 226 OG SER A 739 9.803 -10.397 -0.458 1.00 1.00 O ATOM 0 H SER A 739 6.923 -10.322 -2.889 1.00 1.00 H new ATOM 0 HA SER A 739 8.685 -12.237 -1.642 1.00 1.00 H new ATOM 0 HB2 SER A 739 8.725 -9.565 -1.997 1.00 1.00 H new ATOM 0 HB3 SER A 739 7.911 -9.593 -0.445 1.00 1.00 H new ATOM 0 HG SER A 739 10.218 -9.540 -0.227 1.00 1.00 H new ATOM 232 N LYS A 740 5.801 -11.540 -0.188 1.00 1.00 N ATOM 233 CA LYS A 740 4.834 -11.858 0.867 1.00 1.00 C ATOM 234 C LYS A 740 5.464 -11.963 2.247 1.00 1.00 C ATOM 235 O LYS A 740 5.150 -12.874 3.014 1.00 1.00 O ATOM 236 CB LYS A 740 3.849 -12.975 0.479 1.00 1.00 C ATOM 237 CG LYS A 740 4.503 -14.345 0.247 1.00 1.00 C ATOM 238 CD LYS A 740 3.451 -15.343 -0.231 1.00 1.00 C ATOM 239 CE LYS A 740 3.174 -15.142 -1.722 1.00 1.00 C ATOM 240 NZ LYS A 740 1.911 -15.767 -2.154 1.00 1.00 N ATOM 0 H LYS A 740 5.441 -10.834 -0.830 1.00 1.00 H new ATOM 0 HA LYS A 740 4.182 -10.990 0.963 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.100 -13.072 1.265 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.322 -12.679 -0.428 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.299 -14.258 -0.493 1.00 1.00 H new ATOM 0 HG3 LYS A 740 4.963 -14.700 1.169 1.00 1.00 H new ATOM 0 HD2 LYS A 740 3.796 -16.361 -0.051 1.00 1.00 H new ATOM 0 HD3 LYS A 740 2.531 -15.214 0.338 1.00 1.00 H new ATOM 0 HE2 LYS A 740 3.140 -14.075 -1.941 1.00 1.00 H new ATOM 0 HE3 LYS A 740 3.998 -15.560 -2.300 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 1.772 -15.601 -3.171 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 1.950 -16.790 -1.972 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 1.119 -15.351 -1.624 1.00 1.00 H new ATOM 253 N LYS A 741 6.349 -11.010 2.543 1.00 1.00 N ATOM 254 CA LYS A 741 6.991 -10.847 3.835 1.00 1.00 C ATOM 255 C LYS A 741 5.961 -10.625 4.935 1.00 1.00 C ATOM 256 O LYS A 741 5.564 -11.612 5.551 1.00 1.00 O ATOM 257 CB LYS A 741 8.018 -9.724 3.707 1.00 1.00 C ATOM 258 CG LYS A 741 9.339 -10.203 3.101 1.00 1.00 C ATOM 259 CD LYS A 741 10.233 -10.845 4.171 1.00 1.00 C ATOM 260 CE LYS A 741 11.652 -11.031 3.633 1.00 1.00 C ATOM 261 NZ LYS A 741 12.558 -11.566 4.665 1.00 1.00 N ATOM 0 H LYS A 741 6.644 -10.310 1.862 1.00 1.00 H new ATOM 0 HA LYS A 741 7.517 -11.754 4.132 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.605 -8.928 3.087 1.00 1.00 H new ATOM 0 HB3 LYS A 741 8.208 -9.296 4.691 1.00 1.00 H new ATOM 0 HG2 LYS A 741 9.139 -10.924 2.308 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.860 -9.362 2.643 1.00 1.00 H new ATOM 0 HD2 LYS A 741 10.254 -10.217 5.062 1.00 1.00 H new ATOM 0 HD3 LYS A 741 9.820 -11.809 4.469 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.632 -11.708 2.779 1.00 1.00 H new ATOM 0 HE3 LYS A 741 12.033 -10.075 3.273 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 13.511 -11.679 4.265 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 12.596 -10.907 5.469 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 12.207 -12.489 4.990 1.00 1.00 H new ATOM 274 N MET A 742 5.453 -9.406 5.129 1.00 1.00 N ATOM 275 CA MET A 742 4.386 -9.106 6.083 1.00 1.00 C ATOM 276 C MET A 742 3.660 -7.841 5.659 1.00 1.00 C ATOM 277 O MET A 742 2.493 -7.927 5.285 1.00 1.00 O ATOM 278 CB MET A 742 4.901 -8.908 7.526 1.00 1.00 C ATOM 279 CG MET A 742 5.163 -10.175 8.341 1.00 1.00 C ATOM 280 SD MET A 742 3.662 -11.069 8.850 1.00 1.00 S ATOM 281 CE MET A 742 3.902 -12.680 8.047 1.00 1.00 C ATOM 0 H MET A 742 5.778 -8.586 4.618 1.00 1.00 H new ATOM 0 HA MET A 742 3.719 -9.968 6.080 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.827 -8.335 7.481 1.00 1.00 H new ATOM 0 HB3 MET A 742 4.175 -8.300 8.066 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.789 -10.847 7.754 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.731 -9.908 9.232 1.00 1.00 H new ATOM 0 HE1 MET A 742 3.238 -13.416 8.501 1.00 1.00 H new ATOM 0 HE2 MET A 742 3.675 -12.594 6.984 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.937 -12.999 8.173 1.00 1.00 H new ATOM 291 N GLN A 743 4.331 -6.686 5.690 1.00 1.00 N ATOM 292 CA GLN A 743 3.739 -5.384 5.416 1.00 1.00 C ATOM 293 C GLN A 743 4.681 -4.469 4.628 1.00 1.00 C ATOM 294 O GLN A 743 5.901 -4.620 4.676 1.00 1.00 O ATOM 295 CB GLN A 743 3.221 -4.738 6.720 1.00 1.00 C ATOM 296 CG GLN A 743 4.090 -4.922 7.975 1.00 1.00 C ATOM 297 CD GLN A 743 5.554 -4.580 7.739 1.00 1.00 C ATOM 298 OE1 GLN A 743 6.390 -5.470 7.598 1.00 1.00 O ATOM 299 NE2 GLN A 743 5.880 -3.305 7.646 1.00 1.00 N ATOM 0 H GLN A 743 5.325 -6.635 5.912 1.00 1.00 H new ATOM 0 HA GLN A 743 2.877 -5.537 4.766 1.00 1.00 H new ATOM 0 HB2 GLN A 743 3.099 -3.669 6.545 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.231 -5.142 6.930 1.00 1.00 H new ATOM 0 HG2 GLN A 743 3.700 -4.293 8.776 1.00 1.00 H new ATOM 0 HG3 GLN A 743 4.014 -5.955 8.315 1.00 1.00 H new ATOM 0 HE21 GLN A 743 5.167 -2.586 7.767 1.00 1.00 H new ATOM 0 HE22 GLN A 743 6.845 -3.038 7.453 1.00 1.00 H new ATOM 308 N LEU A 744 4.104 -3.503 3.923 1.00 1.00 N ATOM 309 CA LEU A 744 4.771 -2.453 3.172 1.00 1.00 C ATOM 310 C LEU A 744 4.103 -1.169 3.645 1.00 1.00 C ATOM 311 O LEU A 744 2.874 -1.051 3.625 1.00 1.00 O ATOM 312 CB LEU A 744 4.608 -2.702 1.662 1.00 1.00 C ATOM 313 CG LEU A 744 5.501 -1.865 0.721 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.096 -2.151 -0.730 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.452 -0.349 0.940 1.00 1.00 C ATOM 0 H LEU A 744 3.089 -3.430 3.858 1.00 1.00 H new ATOM 0 HA LEU A 744 5.848 -2.409 3.337 1.00 1.00 H new ATOM 0 HB2 LEU A 744 4.804 -3.757 1.468 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.567 -2.517 1.397 1.00 1.00 H new ATOM 0 HG LEU A 744 6.523 -2.169 0.948 1.00 1.00 H new ATOM 0 HD11 LEU A 744 5.720 -1.565 -1.404 1.00 1.00 H new ATOM 0 HD12 LEU A 744 5.229 -3.212 -0.942 1.00 1.00 H new ATOM 0 HD13 LEU A 744 4.050 -1.880 -0.876 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.115 0.143 0.228 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.432 0.007 0.793 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.774 -0.117 1.955 1.00 1.00 H new ATOM 327 N GLU A 745 4.906 -0.244 4.152 1.00 1.00 N ATOM 328 CA GLU A 745 4.482 1.030 4.670 1.00 1.00 C ATOM 329 C GLU A 745 4.667 2.072 3.560 1.00 1.00 C ATOM 330 O GLU A 745 5.800 2.333 3.145 1.00 1.00 O ATOM 331 CB GLU A 745 5.387 1.320 5.869 1.00 1.00 C ATOM 332 CG GLU A 745 5.131 0.364 7.048 1.00 1.00 C ATOM 333 CD GLU A 745 6.100 0.558 8.219 1.00 1.00 C ATOM 334 OE1 GLU A 745 7.114 1.290 8.109 1.00 1.00 O ATOM 335 OE2 GLU A 745 5.871 -0.064 9.283 1.00 1.00 O ATOM 0 H GLU A 745 5.916 -0.377 4.212 1.00 1.00 H new ATOM 0 HA GLU A 745 3.438 1.047 4.981 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.429 1.240 5.561 1.00 1.00 H new ATOM 0 HB3 GLU A 745 5.230 2.347 6.198 1.00 1.00 H new ATOM 0 HG2 GLU A 745 4.111 0.506 7.405 1.00 1.00 H new ATOM 0 HG3 GLU A 745 5.205 -0.664 6.693 1.00 1.00 H new ATOM 342 N PHE A 746 3.578 2.643 3.054 1.00 1.00 N ATOM 343 CA PHE A 746 3.564 3.730 2.078 1.00 1.00 C ATOM 344 C PHE A 746 3.399 5.055 2.852 1.00 1.00 C ATOM 345 O PHE A 746 2.754 5.078 3.902 1.00 1.00 O ATOM 346 CB PHE A 746 2.481 3.473 1.017 1.00 1.00 C ATOM 347 CG PHE A 746 2.890 2.516 -0.084 1.00 1.00 C ATOM 348 CD1 PHE A 746 3.875 2.906 -1.009 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.283 1.252 -0.213 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.275 2.040 -2.035 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.668 0.394 -1.256 1.00 1.00 C ATOM 352 CZ PHE A 746 3.669 0.783 -2.164 1.00 1.00 C ATOM 0 H PHE A 746 2.640 2.348 3.324 1.00 1.00 H new ATOM 0 HA PHE A 746 4.498 3.791 1.519 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.593 3.079 1.511 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.199 4.425 0.567 1.00 1.00 H new ATOM 0 HD1 PHE A 746 4.328 3.883 -0.928 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.523 0.943 0.489 1.00 1.00 H new ATOM 0 HE1 PHE A 746 5.049 2.341 -2.725 1.00 1.00 H new ATOM 0 HE2 PHE A 746 2.193 -0.570 -1.361 1.00 1.00 H new ATOM 0 HZ PHE A 746 3.970 0.115 -2.958 1.00 1.00 H new ATOM 362 N PRO A 747 3.918 6.185 2.343 1.00 1.00 N ATOM 363 CA PRO A 747 3.913 7.450 3.071 1.00 1.00 C ATOM 364 C PRO A 747 2.580 8.217 3.020 1.00 1.00 C ATOM 365 O PRO A 747 1.748 7.978 2.146 1.00 1.00 O ATOM 366 CB PRO A 747 5.026 8.248 2.385 1.00 1.00 C ATOM 367 CG PRO A 747 4.908 7.821 0.924 1.00 1.00 C ATOM 368 CD PRO A 747 4.550 6.340 1.040 1.00 1.00 C ATOM 0 HA PRO A 747 4.061 7.284 4.138 1.00 1.00 H new ATOM 0 HB2 PRO A 747 4.884 9.322 2.504 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.006 8.009 2.797 1.00 1.00 H new ATOM 0 HG2 PRO A 747 4.138 8.385 0.397 1.00 1.00 H new ATOM 0 HG3 PRO A 747 5.841 7.972 0.381 1.00 1.00 H new ATOM 0 HD2 PRO A 747 3.875 6.037 0.240 1.00 1.00 H new ATOM 0 HD3 PRO A 747 5.440 5.715 0.960 1.00 1.00 H new ATOM 376 N PRO A 748 2.379 9.216 3.896 1.00 1.00 N ATOM 377 CA PRO A 748 1.203 10.083 3.857 1.00 1.00 C ATOM 378 C PRO A 748 1.242 11.003 2.636 1.00 1.00 C ATOM 379 O PRO A 748 0.205 11.527 2.236 1.00 1.00 O ATOM 380 CB PRO A 748 1.255 10.931 5.127 1.00 1.00 C ATOM 381 CG PRO A 748 2.755 10.998 5.417 1.00 1.00 C ATOM 382 CD PRO A 748 3.259 9.625 4.978 1.00 1.00 C ATOM 0 HA PRO A 748 0.291 9.489 3.794 1.00 1.00 H new ATOM 0 HB2 PRO A 748 0.827 11.921 4.972 1.00 1.00 H new ATOM 0 HB3 PRO A 748 0.703 10.470 5.946 1.00 1.00 H new ATOM 0 HG2 PRO A 748 3.237 11.801 4.859 1.00 1.00 H new ATOM 0 HG3 PRO A 748 2.953 11.180 6.473 1.00 1.00 H new ATOM 0 HD2 PRO A 748 4.295 9.676 4.643 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.225 8.912 5.802 1.00 1.00 H new ATOM 390 N SER A 749 2.438 11.258 2.096 1.00 1.00 N ATOM 391 CA SER A 749 2.735 12.172 1.004 1.00 1.00 C ATOM 392 C SER A 749 1.827 11.960 -0.207 1.00 1.00 C ATOM 393 O SER A 749 1.543 12.931 -0.914 1.00 1.00 O ATOM 394 CB SER A 749 4.202 11.979 0.608 1.00 1.00 C ATOM 395 OG SER A 749 5.014 11.793 1.756 1.00 1.00 O ATOM 0 H SER A 749 3.279 10.795 2.440 1.00 1.00 H new ATOM 0 HA SER A 749 2.553 13.191 1.346 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.295 11.116 -0.052 1.00 1.00 H new ATOM 0 HB3 SER A 749 4.549 12.847 0.048 1.00 1.00 H new ATOM 0 HG SER A 749 5.946 11.670 1.481 1.00 1.00 H new ATOM 401 N LEU A 750 1.347 10.727 -0.420 1.00 1.00 N ATOM 402 CA LEU A 750 0.393 10.370 -1.458 1.00 1.00 C ATOM 403 C LEU A 750 -0.751 11.372 -1.427 1.00 1.00 C ATOM 404 O LEU A 750 -1.513 11.435 -0.460 1.00 1.00 O ATOM 405 CB LEU A 750 -0.080 8.917 -1.257 1.00 1.00 C ATOM 406 CG LEU A 750 0.838 7.782 -1.784 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.176 8.255 -2.344 1.00 1.00 C ATOM 408 CD2 LEU A 750 1.076 6.656 -0.786 1.00 1.00 C ATOM 0 H LEU A 750 1.627 9.929 0.150 1.00 1.00 H new ATOM 0 HA LEU A 750 0.853 10.414 -2.445 1.00 1.00 H new ATOM 0 HB2 LEU A 750 -0.231 8.758 -0.189 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -1.053 8.811 -1.736 1.00 1.00 H new ATOM 0 HG LEU A 750 0.254 7.383 -2.613 1.00 1.00 H new ATOM 0 HD11 LEU A 750 2.751 7.395 -2.688 1.00 1.00 H new ATOM 0 HD12 LEU A 750 2.002 8.933 -3.179 1.00 1.00 H new ATOM 0 HD13 LEU A 750 2.733 8.775 -1.565 1.00 1.00 H new ATOM 0 HD21 LEU A 750 1.727 5.905 -1.233 1.00 1.00 H new ATOM 0 HD22 LEU A 750 1.548 7.058 0.110 1.00 1.00 H new ATOM 0 HD23 LEU A 750 0.123 6.198 -0.520 1.00 1.00 H new ATOM 420 N ASN A 751 -0.857 12.158 -2.499 1.00 1.00 N ATOM 421 CA ASN A 751 -1.809 13.254 -2.599 1.00 1.00 C ATOM 422 C ASN A 751 -3.230 12.714 -2.578 1.00 1.00 C ATOM 423 O ASN A 751 -3.922 12.917 -1.577 1.00 1.00 O ATOM 424 CB ASN A 751 -1.493 14.170 -3.777 1.00 1.00 C ATOM 425 CG ASN A 751 -0.049 14.654 -3.745 1.00 1.00 C ATOM 426 OD1 ASN A 751 0.821 14.021 -4.331 1.00 1.00 O ATOM 427 ND2 ASN A 751 0.249 15.730 -3.043 1.00 1.00 N ATOM 0 H ASN A 751 -0.275 12.046 -3.329 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.716 13.898 -1.724 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -1.678 13.639 -4.711 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.165 15.028 -3.761 1.00 1.00 H new ATOM 0 HD21 ASN A 751 1.216 16.047 -2.982 1.00 1.00 H new ATOM 0 HD22 ASN A 751 -0.488 16.245 -2.561 1.00 1.00 H new ATOM 434 N SER A 752 -3.664 12.015 -3.629 1.00 1.00 N ATOM 435 CA SER A 752 -4.964 11.355 -3.660 1.00 1.00 C ATOM 436 C SER A 752 -4.893 10.062 -4.470 1.00 1.00 C ATOM 437 O SER A 752 -4.962 8.971 -3.907 1.00 1.00 O ATOM 438 CB SER A 752 -6.032 12.300 -4.219 1.00 1.00 C ATOM 439 OG SER A 752 -6.209 13.459 -3.425 1.00 1.00 O ATOM 0 H SER A 752 -3.120 11.892 -4.483 1.00 1.00 H new ATOM 0 HA SER A 752 -5.245 11.095 -2.640 1.00 1.00 H new ATOM 0 HB2 SER A 752 -5.754 12.597 -5.230 1.00 1.00 H new ATOM 0 HB3 SER A 752 -6.980 11.767 -4.292 1.00 1.00 H new ATOM 0 HG SER A 752 -6.899 14.028 -3.826 1.00 1.00 H new ATOM 445 N HIS A 753 -4.659 10.179 -5.779 1.00 1.00 N ATOM 446 CA HIS A 753 -4.661 9.081 -6.735 1.00 1.00 C ATOM 447 C HIS A 753 -3.635 8.015 -6.374 1.00 1.00 C ATOM 448 O HIS A 753 -3.867 6.834 -6.619 1.00 1.00 O ATOM 449 CB HIS A 753 -4.388 9.618 -8.147 1.00 1.00 C ATOM 450 CG HIS A 753 -5.214 10.827 -8.504 1.00 1.00 C ATOM 451 ND1 HIS A 753 -4.850 12.136 -8.283 1.00 1.00 N ATOM 452 CD2 HIS A 753 -6.467 10.828 -9.052 1.00 1.00 C ATOM 453 CE1 HIS A 753 -5.865 12.916 -8.687 1.00 1.00 C ATOM 454 NE2 HIS A 753 -6.880 12.164 -9.151 1.00 1.00 N ATOM 0 H HIS A 753 -4.455 11.079 -6.214 1.00 1.00 H new ATOM 0 HA HIS A 753 -5.646 8.615 -6.705 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.332 9.873 -8.232 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -4.584 8.828 -8.871 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -7.034 9.959 -9.353 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -5.867 13.995 -8.646 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -7.775 12.500 -9.506 1.00 1.00 H new ATOM 462 N ASP A 754 -2.500 8.424 -5.803 1.00 1.00 N ATOM 463 CA ASP A 754 -1.415 7.575 -5.385 1.00 1.00 C ATOM 464 C ASP A 754 -1.944 6.621 -4.302 1.00 1.00 C ATOM 465 O ASP A 754 -1.924 5.405 -4.484 1.00 1.00 O ATOM 466 CB ASP A 754 -0.268 8.472 -4.878 1.00 1.00 C ATOM 467 CG ASP A 754 0.217 9.591 -5.802 1.00 1.00 C ATOM 468 OD1 ASP A 754 -0.614 10.453 -6.178 1.00 1.00 O ATOM 469 OD2 ASP A 754 1.431 9.656 -6.093 1.00 1.00 O ATOM 0 H ASP A 754 -2.317 9.410 -5.616 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.026 6.969 -6.203 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.586 8.926 -3.939 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.584 7.831 -4.650 1.00 1.00 H new ATOM 474 N ARG A 755 -2.484 7.161 -3.198 1.00 1.00 N ATOM 475 CA ARG A 755 -3.024 6.392 -2.070 1.00 1.00 C ATOM 476 C ARG A 755 -4.195 5.541 -2.531 1.00 1.00 C ATOM 477 O ARG A 755 -4.279 4.364 -2.184 1.00 1.00 O ATOM 478 CB ARG A 755 -3.480 7.346 -0.947 1.00 1.00 C ATOM 479 CG ARG A 755 -4.151 6.628 0.239 1.00 1.00 C ATOM 480 CD ARG A 755 -4.470 7.584 1.396 1.00 1.00 C ATOM 481 NE ARG A 755 -5.496 8.582 1.032 1.00 1.00 N ATOM 482 CZ ARG A 755 -6.686 8.810 1.604 1.00 1.00 C ATOM 483 NH1 ARG A 755 -7.132 8.026 2.576 1.00 1.00 N ATOM 484 NH2 ARG A 755 -7.427 9.842 1.205 1.00 1.00 N ATOM 0 H ARG A 755 -2.558 8.169 -3.064 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.241 5.739 -1.685 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.617 7.903 -0.582 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -4.177 8.074 -1.361 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -5.071 6.153 -0.101 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -3.496 5.834 0.597 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -4.815 7.009 2.255 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -3.559 8.098 1.701 1.00 1.00 H new ATOM 0 HE ARG A 755 -5.268 9.179 0.237 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -6.567 7.239 2.896 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -8.040 8.210 3.004 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -7.088 10.457 0.465 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -8.333 10.017 1.639 1.00 1.00 H new ATOM 498 N LEU A 756 -5.114 6.145 -3.281 1.00 1.00 N ATOM 499 CA LEU A 756 -6.285 5.457 -3.786 1.00 1.00 C ATOM 500 C LEU A 756 -5.875 4.247 -4.622 1.00 1.00 C ATOM 501 O LEU A 756 -6.445 3.169 -4.449 1.00 1.00 O ATOM 502 CB LEU A 756 -7.196 6.441 -4.499 1.00 1.00 C ATOM 503 CG LEU A 756 -8.371 5.761 -5.229 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.654 6.581 -5.072 1.00 1.00 C ATOM 505 CD2 LEU A 756 -8.051 5.598 -6.716 1.00 1.00 C ATOM 0 H LEU A 756 -5.062 7.127 -3.552 1.00 1.00 H new ATOM 0 HA LEU A 756 -6.872 5.050 -2.963 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.590 7.153 -3.774 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.610 7.012 -5.220 1.00 1.00 H new ATOM 0 HG LEU A 756 -8.522 4.778 -4.782 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.470 6.083 -5.595 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -9.902 6.670 -4.014 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.505 7.574 -5.495 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -8.890 5.116 -7.218 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -7.876 6.578 -7.160 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -7.158 4.983 -6.831 1.00 1.00 H new ATOM 517 N ARG A 757 -4.873 4.387 -5.501 1.00 1.00 N ATOM 518 CA ARG A 757 -4.406 3.242 -6.269 1.00 1.00 C ATOM 519 C ARG A 757 -3.769 2.217 -5.352 1.00 1.00 C ATOM 520 O ARG A 757 -4.105 1.056 -5.505 1.00 1.00 O ATOM 521 CB ARG A 757 -3.493 3.627 -7.428 1.00 1.00 C ATOM 522 CG ARG A 757 -3.165 2.456 -8.388 1.00 1.00 C ATOM 523 CD ARG A 757 -4.370 1.631 -8.892 1.00 1.00 C ATOM 524 NE ARG A 757 -3.961 0.495 -9.749 1.00 1.00 N ATOM 525 CZ ARG A 757 -4.462 -0.752 -9.744 1.00 1.00 C ATOM 526 NH1 ARG A 757 -5.389 -1.137 -8.878 1.00 1.00 N ATOM 527 NH2 ARG A 757 -4.028 -1.667 -10.599 1.00 1.00 N ATOM 0 H ARG A 757 -4.385 5.263 -5.690 1.00 1.00 H new ATOM 0 HA ARG A 757 -5.280 2.788 -6.735 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -3.964 4.429 -7.997 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.561 4.026 -7.026 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -2.639 2.859 -9.254 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -2.475 1.781 -7.882 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -4.931 1.253 -8.037 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -5.042 2.281 -9.452 1.00 1.00 H new ATOM 0 HE ARG A 757 -3.214 0.680 -10.419 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -5.745 -0.478 -8.186 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -5.746 -2.092 -8.904 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -3.302 -1.430 -11.275 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -4.420 -2.609 -10.581 1.00 1.00 H new ATOM 541 N VAL A 758 -2.896 2.610 -4.424 1.00 1.00 N ATOM 542 CA VAL A 758 -2.312 1.691 -3.431 1.00 1.00 C ATOM 543 C VAL A 758 -3.406 0.809 -2.802 1.00 1.00 C ATOM 544 O VAL A 758 -3.287 -0.419 -2.837 1.00 1.00 O ATOM 545 CB VAL A 758 -1.451 2.470 -2.405 1.00 1.00 C ATOM 546 CG1 VAL A 758 -1.033 1.637 -1.183 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.156 2.985 -3.059 1.00 1.00 C ATOM 0 H VAL A 758 -2.570 3.572 -4.335 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.626 1.002 -3.925 1.00 1.00 H new ATOM 0 HB VAL A 758 -2.091 3.286 -2.070 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.433 2.252 -0.512 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.923 1.289 -0.659 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.446 0.779 -1.511 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.433 3.529 -2.321 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.423 2.141 -3.435 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.405 3.650 -3.886 1.00 1.00 H new ATOM 557 N HIS A 759 -4.485 1.414 -2.290 1.00 1.00 N ATOM 558 CA HIS A 759 -5.630 0.675 -1.765 1.00 1.00 C ATOM 559 C HIS A 759 -6.207 -0.268 -2.820 1.00 1.00 C ATOM 560 O HIS A 759 -6.441 -1.433 -2.526 1.00 1.00 O ATOM 561 CB HIS A 759 -6.732 1.632 -1.298 1.00 1.00 C ATOM 562 CG HIS A 759 -6.472 2.298 0.024 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.351 1.665 1.238 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.409 3.643 0.247 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.173 2.608 2.178 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.225 3.836 1.623 1.00 1.00 N ATOM 0 H HIS A 759 -4.585 2.427 -2.230 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.274 0.090 -0.917 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -6.869 2.403 -2.056 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.669 1.079 -1.232 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.487 4.418 -0.501 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -6.011 2.411 3.228 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -6.146 4.729 2.109 1.00 1.00 H new ATOM 574 N GLN A 760 -6.456 0.223 -4.033 1.00 1.00 N ATOM 575 CA GLN A 760 -7.060 -0.561 -5.091 1.00 1.00 C ATOM 576 C GLN A 760 -6.187 -1.756 -5.476 1.00 1.00 C ATOM 577 O GLN A 760 -6.746 -2.829 -5.604 1.00 1.00 O ATOM 578 CB GLN A 760 -7.427 0.355 -6.266 1.00 1.00 C ATOM 579 CG GLN A 760 -8.703 1.129 -5.908 1.00 1.00 C ATOM 580 CD GLN A 760 -9.127 2.207 -6.903 1.00 1.00 C ATOM 581 OE1 GLN A 760 -8.459 2.500 -7.897 1.00 1.00 O ATOM 582 NE2 GLN A 760 -10.280 2.808 -6.662 1.00 1.00 N ATOM 0 H GLN A 760 -6.240 1.183 -4.304 1.00 1.00 H new ATOM 0 HA GLN A 760 -7.990 -1.004 -4.734 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.611 1.047 -6.474 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.584 -0.234 -7.170 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.521 0.416 -5.803 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.561 1.596 -4.934 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.823 2.557 -5.836 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -10.626 3.523 -7.302 1.00 1.00 H new ATOM 591 N ILE A 761 -4.866 -1.642 -5.667 1.00 1.00 N ATOM 592 CA ILE A 761 -3.987 -2.776 -5.917 1.00 1.00 C ATOM 593 C ILE A 761 -4.127 -3.776 -4.762 1.00 1.00 C ATOM 594 O ILE A 761 -4.253 -4.980 -4.985 1.00 1.00 O ATOM 595 CB ILE A 761 -2.534 -2.266 -6.016 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.387 -1.147 -7.060 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.596 -3.436 -6.371 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.079 -0.355 -6.950 1.00 1.00 C ATOM 0 H ILE A 761 -4.379 -0.746 -5.651 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.255 -3.272 -6.850 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.262 -1.851 -5.046 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.452 -1.584 -8.056 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.226 -0.458 -6.959 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.571 -3.072 -6.440 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.658 -4.200 -5.596 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -1.894 -3.864 -7.328 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.054 0.415 -7.721 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.019 0.114 -5.968 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.233 -1.029 -7.082 1.00 1.00 H new ATOM 610 N ALA A 762 -4.103 -3.284 -3.520 1.00 1.00 N ATOM 611 CA ALA A 762 -4.268 -4.141 -2.361 1.00 1.00 C ATOM 612 C ALA A 762 -5.583 -4.926 -2.406 1.00 1.00 C ATOM 613 O ALA A 762 -5.592 -6.114 -2.085 1.00 1.00 O ATOM 614 CB ALA A 762 -4.107 -3.303 -1.085 1.00 1.00 C ATOM 0 H ALA A 762 -3.971 -2.297 -3.300 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.488 -4.902 -2.365 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -4.230 -3.943 -0.211 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -3.114 -2.853 -1.068 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.862 -2.517 -1.068 1.00 1.00 H new ATOM 620 N GLU A 763 -6.661 -4.269 -2.823 1.00 1.00 N ATOM 621 CA GLU A 763 -7.999 -4.825 -2.923 1.00 1.00 C ATOM 622 C GLU A 763 -8.153 -5.751 -4.141 1.00 1.00 C ATOM 623 O GLU A 763 -8.901 -6.725 -4.082 1.00 1.00 O ATOM 624 CB GLU A 763 -8.963 -3.627 -2.994 1.00 1.00 C ATOM 625 CG GLU A 763 -10.421 -3.988 -2.693 1.00 1.00 C ATOM 626 CD GLU A 763 -11.197 -4.530 -3.893 1.00 1.00 C ATOM 627 OE1 GLU A 763 -10.988 -4.060 -5.036 1.00 1.00 O ATOM 628 OE2 GLU A 763 -12.151 -5.318 -3.689 1.00 1.00 O ATOM 0 H GLU A 763 -6.620 -3.292 -3.112 1.00 1.00 H new ATOM 0 HA GLU A 763 -8.218 -5.453 -2.059 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.634 -2.865 -2.287 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -8.906 -3.185 -3.989 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.442 -4.732 -1.896 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.932 -3.102 -2.315 1.00 1.00 H new ATOM 635 N GLU A 764 -7.468 -5.454 -5.247 1.00 1.00 N ATOM 636 CA GLU A 764 -7.367 -6.215 -6.476 1.00 1.00 C ATOM 637 C GLU A 764 -6.658 -7.540 -6.188 1.00 1.00 C ATOM 638 O GLU A 764 -6.947 -8.555 -6.829 1.00 1.00 O ATOM 639 CB GLU A 764 -6.593 -5.313 -7.455 1.00 1.00 C ATOM 640 CG GLU A 764 -6.296 -5.945 -8.804 1.00 1.00 C ATOM 641 CD GLU A 764 -5.467 -5.045 -9.739 1.00 1.00 C ATOM 642 OE1 GLU A 764 -5.484 -3.798 -9.624 1.00 1.00 O ATOM 643 OE2 GLU A 764 -4.788 -5.584 -10.648 1.00 1.00 O ATOM 0 H GLU A 764 -6.923 -4.594 -5.301 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.333 -6.479 -6.908 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -7.166 -4.400 -7.616 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.651 -5.021 -6.991 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -5.761 -6.882 -8.647 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -7.237 -6.194 -9.294 1.00 1.00 H new ATOM 650 N HIS A 765 -5.722 -7.520 -5.239 1.00 1.00 N ATOM 651 CA HIS A 765 -5.008 -8.660 -4.725 1.00 1.00 C ATOM 652 C HIS A 765 -5.709 -9.098 -3.431 1.00 1.00 C ATOM 653 O HIS A 765 -6.930 -8.996 -3.277 1.00 1.00 O ATOM 654 CB HIS A 765 -3.540 -8.286 -4.528 1.00 1.00 C ATOM 655 CG HIS A 765 -2.843 -7.904 -5.802 1.00 1.00 C ATOM 656 ND1 HIS A 765 -2.885 -8.551 -7.015 1.00 1.00 N ATOM 657 CD2 HIS A 765 -2.017 -6.834 -5.929 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.114 -7.847 -7.859 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.548 -6.793 -7.245 1.00 1.00 N ATOM 0 H HIS A 765 -5.434 -6.650 -4.790 1.00 1.00 H new ATOM 0 HA HIS A 765 -5.018 -9.504 -5.415 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.476 -7.455 -3.825 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -3.016 -9.128 -4.075 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.765 -6.134 -5.146 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -1.967 -8.096 -8.900 1.00 1.00 H new ATOM 0 HE2 HIS A 765 -0.911 -6.109 -7.653 1.00 1.00 H new ATOM 667 N GLY A 766 -4.930 -9.642 -2.507 1.00 1.00 N ATOM 668 CA GLY A 766 -5.302 -10.044 -1.184 1.00 1.00 C ATOM 669 C GLY A 766 -4.398 -9.347 -0.187 1.00 1.00 C ATOM 670 O GLY A 766 -3.621 -10.018 0.499 1.00 1.00 O ATOM 0 H GLY A 766 -3.943 -9.823 -2.692 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -6.344 -9.788 -0.991 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -5.215 -11.126 -1.080 1.00 1.00 H new ATOM 674 N LEU A 767 -4.454 -8.010 -0.121 1.00 1.00 N ATOM 675 CA LEU A 767 -3.698 -7.261 0.870 1.00 1.00 C ATOM 676 C LEU A 767 -4.649 -6.543 1.809 1.00 1.00 C ATOM 677 O LEU A 767 -5.585 -5.868 1.379 1.00 1.00 O ATOM 678 CB LEU A 767 -2.770 -6.223 0.237 1.00 1.00 C ATOM 679 CG LEU A 767 -1.821 -6.705 -0.856 1.00 1.00 C ATOM 680 CD1 LEU A 767 -0.930 -5.566 -1.338 1.00 1.00 C ATOM 681 CD2 LEU A 767 -0.904 -7.778 -0.310 1.00 1.00 C ATOM 0 H LEU A 767 -5.017 -7.433 -0.745 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.086 -7.983 1.410 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.388 -5.428 -0.180 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.171 -5.778 1.031 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.432 -7.086 -1.674 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.261 -5.932 -2.117 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.550 -4.764 -1.739 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.341 -5.187 -0.503 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.230 -8.116 -1.097 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.321 -7.372 0.517 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.499 -8.620 0.044 1.00 1.00 H new ATOM 693 N ARG A 768 -4.357 -6.611 3.102 1.00 1.00 N ATOM 694 CA ARG A 768 -5.094 -5.912 4.137 1.00 1.00 C ATOM 695 C ARG A 768 -4.512 -4.513 4.164 1.00 1.00 C ATOM 696 O ARG A 768 -3.341 -4.350 4.495 1.00 1.00 O ATOM 697 CB ARG A 768 -4.885 -6.657 5.463 1.00 1.00 C ATOM 698 CG ARG A 768 -5.624 -6.006 6.630 1.00 1.00 C ATOM 699 CD ARG A 768 -5.896 -7.010 7.757 1.00 1.00 C ATOM 700 NE ARG A 768 -7.227 -7.616 7.598 1.00 1.00 N ATOM 701 CZ ARG A 768 -7.549 -8.862 7.236 1.00 1.00 C ATOM 702 NH1 ARG A 768 -6.650 -9.811 7.006 1.00 1.00 N ATOM 703 NH2 ARG A 768 -8.827 -9.168 7.085 1.00 1.00 N ATOM 0 H ARG A 768 -3.583 -7.168 3.464 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.169 -5.866 3.962 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.224 -7.687 5.353 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -3.819 -6.695 5.689 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.034 -5.175 7.017 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -6.568 -5.590 6.277 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -5.133 -7.788 7.751 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -5.832 -6.508 8.722 1.00 1.00 H new ATOM 0 HE ARG A 768 -8.015 -6.998 7.791 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -5.656 -9.606 7.103 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -6.954 -10.745 6.732 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -9.543 -8.460 7.244 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -9.096 -10.112 6.809 1.00 1.00 H new ATOM 717 N HIS A 769 -5.282 -3.529 3.715 1.00 1.00 N ATOM 718 CA HIS A 769 -4.860 -2.146 3.584 1.00 1.00 C ATOM 719 C HIS A 769 -5.449 -1.350 4.739 1.00 1.00 C ATOM 720 O HIS A 769 -6.627 -1.510 5.074 1.00 1.00 O ATOM 721 CB HIS A 769 -5.336 -1.597 2.226 1.00 1.00 C ATOM 722 CG HIS A 769 -6.799 -1.805 1.913 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.855 -1.037 2.358 1.00 1.00 N ATOM 724 CD2 HIS A 769 -7.320 -2.814 1.143 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.982 -1.564 1.858 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.706 -2.641 1.103 1.00 1.00 N ATOM 0 H HIS A 769 -6.248 -3.680 3.424 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.774 -2.066 3.620 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.124 -0.528 2.192 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.745 -2.064 1.438 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.761 -3.599 0.656 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.974 -1.177 2.037 1.00 1.00 H new ATOM 0 HE2 HIS A 769 -9.378 -3.220 0.599 1.00 1.00 H new ATOM 734 N ASP A 770 -4.653 -0.484 5.356 1.00 1.00 N ATOM 735 CA ASP A 770 -5.111 0.339 6.463 1.00 1.00 C ATOM 736 C ASP A 770 -4.253 1.588 6.635 1.00 1.00 C ATOM 737 O ASP A 770 -3.299 1.825 5.886 1.00 1.00 O ATOM 738 CB ASP A 770 -5.119 -0.496 7.760 1.00 1.00 C ATOM 739 CG ASP A 770 -5.996 0.123 8.848 1.00 1.00 C ATOM 740 OD1 ASP A 770 -6.884 0.934 8.508 1.00 1.00 O ATOM 741 OD2 ASP A 770 -5.868 -0.254 10.033 1.00 1.00 O ATOM 0 H ASP A 770 -3.676 -0.335 5.102 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.124 0.674 6.240 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.476 -1.502 7.539 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.099 -0.594 8.132 1.00 1.00 H new ATOM 746 N SER A 771 -4.640 2.448 7.570 1.00 1.00 N ATOM 747 CA SER A 771 -3.914 3.638 7.969 1.00 1.00 C ATOM 748 C SER A 771 -3.162 3.333 9.259 1.00 1.00 C ATOM 749 O SER A 771 -3.525 2.421 10.005 1.00 1.00 O ATOM 750 CB SER A 771 -4.891 4.804 8.148 1.00 1.00 C ATOM 751 OG SER A 771 -5.832 4.819 7.086 1.00 1.00 O ATOM 0 H SER A 771 -5.508 2.325 8.091 1.00 1.00 H new ATOM 0 HA SER A 771 -3.195 3.927 7.202 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.409 4.711 9.102 1.00 1.00 H new ATOM 0 HB3 SER A 771 -4.344 5.746 8.173 1.00 1.00 H new ATOM 0 HG SER A 771 -6.453 5.567 7.210 1.00 1.00 H new ATOM 757 N SER A 772 -2.126 4.118 9.512 1.00 1.00 N ATOM 758 CA SER A 772 -1.201 3.967 10.614 1.00 1.00 C ATOM 759 C SER A 772 -0.763 5.359 11.071 1.00 1.00 C ATOM 760 O SER A 772 -0.994 6.340 10.358 1.00 1.00 O ATOM 761 CB SER A 772 -0.014 3.151 10.104 1.00 1.00 C ATOM 762 OG SER A 772 -0.408 1.863 9.662 1.00 1.00 O ATOM 0 H SER A 772 -1.900 4.918 8.921 1.00 1.00 H new ATOM 0 HA SER A 772 -1.653 3.455 11.463 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.468 3.684 9.284 1.00 1.00 H new ATOM 0 HB3 SER A 772 0.726 3.052 10.898 1.00 1.00 H new ATOM 0 HG SER A 772 0.034 1.180 10.208 1.00 1.00 H new ATOM 768 N GLY A 773 -0.137 5.455 12.243 1.00 1.00 N ATOM 769 CA GLY A 773 0.318 6.705 12.842 1.00 1.00 C ATOM 770 C GLY A 773 -0.720 7.282 13.799 1.00 1.00 C ATOM 771 O GLY A 773 -1.844 6.780 13.866 1.00 1.00 O ATOM 0 H GLY A 773 0.073 4.639 12.818 1.00 1.00 H new ATOM 0 HA2 GLY A 773 1.251 6.533 13.378 1.00 1.00 H new ATOM 0 HA3 GLY A 773 0.531 7.429 12.056 1.00 1.00 H new ATOM 775 N GLU A 774 -0.365 8.328 14.549 1.00 1.00 N ATOM 776 CA GLU A 774 -1.224 8.907 15.583 1.00 1.00 C ATOM 777 C GLU A 774 -1.421 10.414 15.382 1.00 1.00 C ATOM 778 O GLU A 774 -2.536 10.854 15.088 1.00 1.00 O ATOM 779 CB GLU A 774 -0.648 8.508 16.950 1.00 1.00 C ATOM 780 CG GLU A 774 -1.481 8.985 18.142 1.00 1.00 C ATOM 781 CD GLU A 774 -1.173 8.130 19.371 1.00 1.00 C ATOM 782 OE1 GLU A 774 -0.098 8.298 19.983 1.00 1.00 O ATOM 783 OE2 GLU A 774 -1.988 7.240 19.712 1.00 1.00 O ATOM 0 H GLU A 774 0.534 8.800 14.454 1.00 1.00 H new ATOM 0 HA GLU A 774 -2.237 8.509 15.519 1.00 1.00 H new ATOM 0 HB2 GLU A 774 -0.561 7.422 16.993 1.00 1.00 H new ATOM 0 HB3 GLU A 774 0.360 8.913 17.040 1.00 1.00 H new ATOM 0 HG2 GLU A 774 -1.263 10.032 18.353 1.00 1.00 H new ATOM 0 HG3 GLU A 774 -2.543 8.923 17.902 1.00 1.00 H new ATOM 790 N GLY A 775 -0.357 11.207 15.509 1.00 1.00 N ATOM 791 CA GLY A 775 -0.362 12.656 15.350 1.00 1.00 C ATOM 792 C GLY A 775 0.063 13.017 13.932 1.00 1.00 C ATOM 793 O GLY A 775 -0.449 12.446 12.961 1.00 1.00 O ATOM 0 H GLY A 775 0.568 10.840 15.735 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -1.357 13.051 15.553 1.00 1.00 H new ATOM 0 HA3 GLY A 775 0.316 13.113 16.071 1.00 1.00 H new ATOM 797 N LYS A 776 1.016 13.939 13.780 1.00 1.00 N ATOM 798 CA LYS A 776 1.599 14.350 12.496 1.00 1.00 C ATOM 799 C LYS A 776 2.532 13.291 11.898 1.00 1.00 C ATOM 800 O LYS A 776 3.578 13.616 11.327 1.00 1.00 O ATOM 801 CB LYS A 776 2.257 15.735 12.625 1.00 1.00 C ATOM 802 CG LYS A 776 1.163 16.789 12.826 1.00 1.00 C ATOM 803 CD LYS A 776 1.710 18.217 12.782 1.00 1.00 C ATOM 804 CE LYS A 776 0.601 19.269 12.869 1.00 1.00 C ATOM 805 NZ LYS A 776 -0.396 19.121 11.793 1.00 1.00 N ATOM 0 H LYS A 776 1.418 14.439 14.573 1.00 1.00 H new ATOM 0 HA LYS A 776 0.787 14.440 11.775 1.00 1.00 H new ATOM 0 HB2 LYS A 776 2.950 15.746 13.466 1.00 1.00 H new ATOM 0 HB3 LYS A 776 2.838 15.961 11.731 1.00 1.00 H new ATOM 0 HG2 LYS A 776 0.403 16.671 12.054 1.00 1.00 H new ATOM 0 HG3 LYS A 776 0.673 16.621 13.785 1.00 1.00 H new ATOM 0 HD2 LYS A 776 2.409 18.361 13.606 1.00 1.00 H new ATOM 0 HD3 LYS A 776 2.271 18.360 11.859 1.00 1.00 H new ATOM 0 HE2 LYS A 776 0.104 19.190 13.836 1.00 1.00 H new ATOM 0 HE3 LYS A 776 1.042 20.264 12.818 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 -0.973 19.984 11.734 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 0.091 18.968 10.887 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 -1.010 18.307 11.998 1.00 1.00 H new ATOM 818 N ARG A 777 2.197 12.012 12.069 1.00 1.00 N ATOM 819 CA ARG A 777 2.908 10.905 11.469 1.00 1.00 C ATOM 820 C ARG A 777 1.924 9.883 10.917 1.00 1.00 C ATOM 821 O ARG A 777 2.152 8.690 11.086 1.00 1.00 O ATOM 822 CB ARG A 777 3.842 10.234 12.481 1.00 1.00 C ATOM 823 CG ARG A 777 4.767 11.135 13.304 1.00 1.00 C ATOM 824 CD ARG A 777 5.697 10.161 14.028 1.00 1.00 C ATOM 825 NE ARG A 777 6.602 10.771 15.008 1.00 1.00 N ATOM 826 CZ ARG A 777 7.615 10.093 15.567 1.00 1.00 C ATOM 827 NH1 ARG A 777 7.883 8.849 15.182 1.00 1.00 N ATOM 828 NH2 ARG A 777 8.346 10.648 16.521 1.00 1.00 N ATOM 0 H ARG A 777 1.405 11.720 12.642 1.00 1.00 H new ATOM 0 HA ARG A 777 3.513 11.299 10.652 1.00 1.00 H new ATOM 0 HB2 ARG A 777 3.228 9.661 13.175 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.463 9.520 11.941 1.00 1.00 H new ATOM 0 HG2 ARG A 777 5.326 11.819 12.666 1.00 1.00 H new ATOM 0 HG3 ARG A 777 4.203 11.746 14.009 1.00 1.00 H new ATOM 0 HD2 ARG A 777 5.089 9.413 14.536 1.00 1.00 H new ATOM 0 HD3 ARG A 777 6.295 9.634 13.284 1.00 1.00 H new ATOM 0 HE ARG A 777 6.456 11.745 15.274 1.00 1.00 H new ATOM 0 HH11 ARG A 777 7.317 8.406 14.458 1.00 1.00 H new ATOM 0 HH12 ARG A 777 8.655 8.338 15.610 1.00 1.00 H new ATOM 0 HH21 ARG A 777 8.140 11.596 16.835 1.00 1.00 H new ATOM 0 HH22 ARG A 777 9.115 10.127 16.942 1.00 1.00 H new ATOM 842 N ARG A 778 0.843 10.294 10.242 1.00 1.00 N ATOM 843 CA ARG A 778 -0.025 9.299 9.612 1.00 1.00 C ATOM 844 C ARG A 778 0.767 8.703 8.443 1.00 1.00 C ATOM 845 O ARG A 778 1.655 9.378 7.909 1.00 1.00 O ATOM 846 CB ARG A 778 -1.372 9.892 9.135 1.00 1.00 C ATOM 847 CG ARG A 778 -2.418 8.782 8.868 1.00 1.00 C ATOM 848 CD ARG A 778 -3.551 9.158 7.912 1.00 1.00 C ATOM 849 NE ARG A 778 -4.600 9.973 8.534 1.00 1.00 N ATOM 850 CZ ARG A 778 -5.627 10.519 7.871 1.00 1.00 C ATOM 851 NH1 ARG A 778 -5.796 10.308 6.569 1.00 1.00 N ATOM 852 NH2 ARG A 778 -6.505 11.281 8.510 1.00 1.00 N ATOM 0 H ARG A 778 0.559 11.266 10.122 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.297 8.533 10.339 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.755 10.580 9.888 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -1.214 10.471 8.225 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -1.902 7.910 8.466 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.855 8.483 9.821 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -3.134 9.703 7.065 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -3.998 8.246 7.516 1.00 1.00 H new ATOM 0 HE ARG A 778 -4.543 10.135 9.540 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -5.137 9.721 6.058 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -6.585 10.733 6.082 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -6.399 11.453 9.510 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -7.286 11.695 8.001 1.00 1.00 H new ATOM 866 N PHE A 779 0.473 7.465 8.061 1.00 1.00 N ATOM 867 CA PHE A 779 1.009 6.751 6.911 1.00 1.00 C ATOM 868 C PHE A 779 -0.010 5.665 6.527 1.00 1.00 C ATOM 869 O PHE A 779 -1.056 5.525 7.172 1.00 1.00 O ATOM 870 CB PHE A 779 2.440 6.238 7.165 1.00 1.00 C ATOM 871 CG PHE A 779 2.648 5.235 8.282 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.760 5.687 9.608 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.816 3.865 7.998 1.00 1.00 C ATOM 874 CE1 PHE A 779 3.006 4.783 10.654 1.00 1.00 C ATOM 875 CE2 PHE A 779 3.070 2.961 9.044 1.00 1.00 C ATOM 876 CZ PHE A 779 3.161 3.419 10.370 1.00 1.00 C ATOM 0 H PHE A 779 -0.192 6.896 8.584 1.00 1.00 H new ATOM 0 HA PHE A 779 1.133 7.416 6.056 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.803 5.788 6.241 1.00 1.00 H new ATOM 0 HB3 PHE A 779 3.073 7.101 7.369 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.656 6.740 9.825 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.750 3.511 6.980 1.00 1.00 H new ATOM 0 HE1 PHE A 779 3.075 5.137 11.672 1.00 1.00 H new ATOM 0 HE2 PHE A 779 3.196 1.910 8.828 1.00 1.00 H new ATOM 0 HZ PHE A 779 3.350 2.719 11.171 1.00 1.00 H new ATOM 886 N ILE A 780 0.237 4.947 5.436 1.00 1.00 N ATOM 887 CA ILE A 780 -0.503 3.799 4.915 1.00 1.00 C ATOM 888 C ILE A 780 0.297 2.528 5.094 1.00 1.00 C ATOM 889 O ILE A 780 1.497 2.506 4.862 1.00 1.00 O ATOM 890 CB ILE A 780 -1.087 4.047 3.494 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.616 2.780 2.755 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.321 5.021 2.594 1.00 1.00 C ATOM 893 CD1 ILE A 780 -2.804 3.047 1.827 1.00 1.00 C ATOM 0 H ILE A 780 1.032 5.173 4.839 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.403 3.657 5.513 1.00 1.00 H new ATOM 0 HB ILE A 780 -1.986 4.610 3.743 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -0.803 2.347 2.172 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -1.908 2.036 3.496 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.830 5.106 1.634 1.00 1.00 H new ATOM 0 HG22 ILE A 780 -0.279 6.000 3.071 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.692 4.651 2.436 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.111 2.115 1.352 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.635 3.450 2.406 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -2.513 3.766 1.061 1.00 1.00 H new ATOM 905 N THR A 781 -0.384 1.473 5.516 1.00 1.00 N ATOM 906 CA THR A 781 0.180 0.153 5.638 1.00 1.00 C ATOM 907 C THR A 781 -0.688 -0.763 4.798 1.00 1.00 C ATOM 908 O THR A 781 -1.911 -0.627 4.739 1.00 1.00 O ATOM 909 CB THR A 781 0.203 -0.298 7.106 1.00 1.00 C ATOM 910 OG1 THR A 781 1.118 0.495 7.830 1.00 1.00 O ATOM 911 CG2 THR A 781 0.618 -1.768 7.239 1.00 1.00 C ATOM 0 H THR A 781 -1.366 1.521 5.787 1.00 1.00 H new ATOM 0 HA THR A 781 1.214 0.133 5.293 1.00 1.00 H new ATOM 0 HB THR A 781 -0.806 -0.183 7.503 1.00 1.00 H new ATOM 0 HG1 THR A 781 0.628 1.086 8.440 1.00 1.00 H new ATOM 0 HG21 THR A 781 0.623 -2.051 8.292 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.089 -2.396 6.698 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.616 -1.903 6.822 1.00 1.00 H new ATOM 919 N VAL A 782 -0.034 -1.688 4.130 1.00 1.00 N ATOM 920 CA VAL A 782 -0.632 -2.749 3.361 1.00 1.00 C ATOM 921 C VAL A 782 0.102 -3.998 3.794 1.00 1.00 C ATOM 922 O VAL A 782 1.328 -3.995 3.883 1.00 1.00 O ATOM 923 CB VAL A 782 -0.648 -2.494 1.851 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.818 -1.608 1.453 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.565 -1.696 1.369 1.00 1.00 C ATOM 0 H VAL A 782 0.985 -1.718 4.110 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.700 -2.841 3.560 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.684 -3.492 1.415 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.801 -1.446 0.375 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.753 -2.093 1.733 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.739 -0.649 1.966 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.498 -1.547 0.291 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.585 -0.728 1.869 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.478 -2.244 1.603 1.00 1.00 H new ATOM 935 N SER A 783 -0.653 -5.043 4.086 1.00 1.00 N ATOM 936 CA SER A 783 -0.145 -6.290 4.627 1.00 1.00 C ATOM 937 C SER A 783 -0.589 -7.441 3.749 1.00 1.00 C ATOM 938 O SER A 783 -1.689 -7.425 3.205 1.00 1.00 O ATOM 939 CB SER A 783 -0.592 -6.476 6.074 1.00 1.00 C ATOM 940 OG SER A 783 -0.418 -5.283 6.822 1.00 1.00 O ATOM 0 H SER A 783 -1.664 -5.047 3.949 1.00 1.00 H new ATOM 0 HA SER A 783 0.945 -6.264 4.632 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.640 -6.774 6.098 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.021 -7.283 6.533 1.00 1.00 H new ATOM 0 HG SER A 783 -0.714 -5.429 7.745 1.00 1.00 H new ATOM 946 N LYS A 784 0.260 -8.445 3.604 1.00 1.00 N ATOM 947 CA LYS A 784 0.039 -9.578 2.717 1.00 1.00 C ATOM 948 C LYS A 784 -0.808 -10.621 3.395 1.00 1.00 C ATOM 949 O LYS A 784 -0.432 -11.062 4.483 1.00 1.00 O ATOM 950 CB LYS A 784 1.395 -10.170 2.310 1.00 1.00 C ATOM 951 CG LYS A 784 2.012 -9.347 1.168 1.00 1.00 C ATOM 952 CD LYS A 784 1.893 -9.897 -0.261 1.00 1.00 C ATOM 953 CE LYS A 784 0.728 -10.843 -0.579 1.00 1.00 C ATOM 954 NZ LYS A 784 0.914 -11.506 -1.888 1.00 1.00 N ATOM 0 H LYS A 784 1.143 -8.497 4.111 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.491 -9.241 1.826 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.068 -10.178 3.167 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.268 -11.206 1.994 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.555 -8.358 1.184 1.00 1.00 H new ATOM 0 HG3 LYS A 784 3.071 -9.213 1.387 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.827 -9.047 -0.940 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.820 -10.420 -0.495 1.00 1.00 H new ATOM 0 HE2 LYS A 784 0.645 -11.597 0.204 1.00 1.00 H new ATOM 0 HE3 LYS A 784 -0.207 -10.283 -0.583 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 0.364 -12.388 -1.912 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 0.588 -10.874 -2.647 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 1.922 -11.723 -2.027 1.00 1.00 H new ATOM 967 N ARG A 785 -1.961 -10.985 2.825 1.00 1.00 N ATOM 968 CA ARG A 785 -2.683 -12.088 3.437 1.00 1.00 C ATOM 969 C ARG A 785 -1.830 -13.285 3.012 1.00 1.00 C ATOM 970 O ARG A 785 -1.724 -13.564 1.812 1.00 1.00 O ATOM 971 CB ARG A 785 -4.131 -12.192 2.929 1.00 1.00 C ATOM 972 CG ARG A 785 -5.022 -11.005 3.345 1.00 1.00 C ATOM 973 CD ARG A 785 -6.470 -11.298 2.933 1.00 1.00 C ATOM 974 NE ARG A 785 -7.380 -10.156 3.119 1.00 1.00 N ATOM 975 CZ ARG A 785 -8.704 -10.228 3.313 1.00 1.00 C ATOM 976 NH1 ARG A 785 -9.328 -11.401 3.412 1.00 1.00 N ATOM 977 NH2 ARG A 785 -9.396 -9.102 3.413 1.00 1.00 N ATOM 0 H ARG A 785 -2.386 -10.563 1.999 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.801 -11.993 4.516 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -4.121 -12.263 1.841 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.573 -13.115 3.304 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -4.962 -10.848 4.422 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.674 -10.088 2.870 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -6.487 -11.598 1.885 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.839 -12.144 3.513 1.00 1.00 H new ATOM 0 HE ARG A 785 -6.965 -9.225 3.098 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -8.797 -12.269 3.340 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -10.337 -11.431 3.560 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -8.920 -8.203 3.342 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -10.405 -9.135 3.561 1.00 1.00 H new ATOM 991 N ALA A 786 -1.175 -13.941 3.970 1.00 1.00 N ATOM 992 CA ALA A 786 -0.314 -15.090 3.744 1.00 1.00 C ATOM 993 C ALA A 786 -1.073 -16.161 2.977 1.00 1.00 C ATOM 994 O ALA A 786 -2.305 -16.273 3.144 1.00 1.00 O ATOM 995 CB ALA A 786 0.202 -15.621 5.080 1.00 1.00 C ATOM 0 H ALA A 786 -1.234 -13.675 4.953 1.00 1.00 H new ATOM 0 HA ALA A 786 0.546 -14.792 3.144 1.00 1.00 H new ATOM 0 HB1 ALA A 786 0.847 -16.482 4.905 1.00 1.00 H new ATOM 0 HB2 ALA A 786 0.769 -14.840 5.587 1.00 1.00 H new ATOM 0 HB3 ALA A 786 -0.641 -15.920 5.703 1.00 1.00 H new TER 1001 ALA A 786