USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 772 SER OG : rot 117:sc= 1.27 USER MOD Set 1.2: A 781 THR OG1 : rot -19:sc= 1.13 USER MOD Single : A 728 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.2) USER MOD Single : A 732 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 737 MET CE :methyl -169:sc= -0.0184 (180deg=-0.188) USER MOD Single : A 739 SER OG : rot 140:sc= -1.17 USER MOD Single : A 740 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0264) USER MOD Single : A 741 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl 171:sc= 0 (180deg=-0.0603) USER MOD Single : A 743 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0384 USER MOD Single : A 751 ASN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 752 SER OG : rot 7:sc= 0.737 USER MOD Single : A 753 HIS : no HD1:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 759 HIS : no HD1:sc= -1.75 K(o=-1.7,f=-3.5!) USER MOD Single : A 760 GLN : amide:sc= -0.0427 K(o=-0.043,f=-1.1) USER MOD Single : A 765 HIS : no HE2:sc= -0.117 K(o=-0.12,f=-0.67) USER MOD Single : A 769 HIS : no HE2:sc= -0.679 X(o=-0.68,f=-0.72) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 776 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ 140:sc= -0.347 (180deg=-2.57!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 725 -3.490 7.049 -13.679 1.00 1.00 N ATOM 2 CA GLY A 725 -2.945 5.818 -13.105 1.00 1.00 C ATOM 3 C GLY A 725 -1.601 6.083 -12.454 1.00 1.00 C ATOM 4 O GLY A 725 -1.094 7.205 -12.500 1.00 1.00 O ATOM 0 HA2 GLY A 725 -3.639 5.415 -12.368 1.00 1.00 H new ATOM 0 HA3 GLY A 725 -2.835 5.064 -13.885 1.00 1.00 H new ATOM 8 N VAL A 726 -1.014 5.045 -11.859 1.00 1.00 N ATOM 9 CA VAL A 726 0.396 4.995 -11.487 1.00 1.00 C ATOM 10 C VAL A 726 0.919 3.645 -11.992 1.00 1.00 C ATOM 11 O VAL A 726 0.131 2.717 -12.185 1.00 1.00 O ATOM 12 CB VAL A 726 0.592 5.238 -9.980 1.00 1.00 C ATOM 13 CG1 VAL A 726 2.067 5.310 -9.554 1.00 1.00 C ATOM 14 CG2 VAL A 726 -0.096 6.518 -9.475 1.00 1.00 C ATOM 0 H VAL A 726 -1.521 4.194 -11.617 1.00 1.00 H new ATOM 0 HA VAL A 726 0.975 5.796 -11.946 1.00 1.00 H new ATOM 0 HB VAL A 726 0.125 4.364 -9.527 1.00 1.00 H new ATOM 0 HG11 VAL A 726 2.127 5.483 -8.480 1.00 1.00 H new ATOM 0 HG12 VAL A 726 2.563 4.371 -9.799 1.00 1.00 H new ATOM 0 HG13 VAL A 726 2.559 6.128 -10.081 1.00 1.00 H new ATOM 0 HG21 VAL A 726 0.082 6.629 -8.405 1.00 1.00 H new ATOM 0 HG22 VAL A 726 0.310 7.381 -10.002 1.00 1.00 H new ATOM 0 HG23 VAL A 726 -1.168 6.452 -9.660 1.00 1.00 H new ATOM 24 N ASP A 727 2.224 3.475 -12.162 1.00 1.00 N ATOM 25 CA ASP A 727 2.862 2.223 -12.583 1.00 1.00 C ATOM 26 C ASP A 727 3.949 1.790 -11.596 1.00 1.00 C ATOM 27 O ASP A 727 4.084 0.601 -11.300 1.00 1.00 O ATOM 28 CB ASP A 727 3.448 2.414 -13.985 1.00 1.00 C ATOM 29 CG ASP A 727 4.435 1.305 -14.325 1.00 1.00 C ATOM 30 OD1 ASP A 727 4.006 0.177 -14.661 1.00 1.00 O ATOM 31 OD2 ASP A 727 5.654 1.556 -14.216 1.00 1.00 O ATOM 0 H ASP A 727 2.895 4.227 -12.007 1.00 1.00 H new ATOM 0 HA ASP A 727 2.113 1.431 -12.602 1.00 1.00 H new ATOM 0 HB2 ASP A 727 2.643 2.426 -14.720 1.00 1.00 H new ATOM 0 HB3 ASP A 727 3.948 3.381 -14.044 1.00 1.00 H new ATOM 36 N HIS A 728 4.714 2.745 -11.059 1.00 1.00 N ATOM 37 CA HIS A 728 5.847 2.462 -10.175 1.00 1.00 C ATOM 38 C HIS A 728 5.361 1.733 -8.918 1.00 1.00 C ATOM 39 O HIS A 728 5.911 0.700 -8.524 1.00 1.00 O ATOM 40 CB HIS A 728 6.580 3.763 -9.812 1.00 1.00 C ATOM 41 CG HIS A 728 6.726 4.766 -10.936 1.00 1.00 C ATOM 42 ND1 HIS A 728 6.514 6.119 -10.815 1.00 1.00 N ATOM 43 CD2 HIS A 728 7.047 4.516 -12.243 1.00 1.00 C ATOM 44 CE1 HIS A 728 6.731 6.691 -12.006 1.00 1.00 C ATOM 45 NE2 HIS A 728 7.030 5.746 -12.916 1.00 1.00 N ATOM 0 H HIS A 728 4.564 3.740 -11.226 1.00 1.00 H new ATOM 0 HA HIS A 728 6.552 1.814 -10.696 1.00 1.00 H new ATOM 0 HB2 HIS A 728 6.049 4.241 -8.989 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.574 3.509 -9.444 1.00 1.00 H new ATOM 0 HD2 HIS A 728 7.271 3.552 -12.675 1.00 1.00 H new ATOM 0 HE1 HIS A 728 6.675 7.751 -12.206 1.00 1.00 H new ATOM 0 HE2 HIS A 728 7.210 5.896 -13.909 1.00 1.00 H new ATOM 53 N PHE A 729 4.277 2.249 -8.321 1.00 1.00 N ATOM 54 CA PHE A 729 3.678 1.649 -7.141 1.00 1.00 C ATOM 55 C PHE A 729 3.321 0.203 -7.438 1.00 1.00 C ATOM 56 O PHE A 729 3.670 -0.654 -6.637 1.00 1.00 O ATOM 57 CB PHE A 729 2.413 2.384 -6.677 1.00 1.00 C ATOM 58 CG PHE A 729 2.497 3.845 -6.281 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.715 4.552 -6.180 1.00 1.00 C ATOM 60 CD2 PHE A 729 1.287 4.508 -6.009 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.703 5.914 -5.829 1.00 1.00 C ATOM 62 CE2 PHE A 729 1.283 5.862 -5.643 1.00 1.00 C ATOM 63 CZ PHE A 729 2.492 6.570 -5.558 1.00 1.00 C ATOM 0 H PHE A 729 3.800 3.089 -8.647 1.00 1.00 H new ATOM 0 HA PHE A 729 4.413 1.718 -6.339 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.678 2.305 -7.478 1.00 1.00 H new ATOM 0 HB3 PHE A 729 2.013 1.837 -5.823 1.00 1.00 H new ATOM 0 HD1 PHE A 729 4.652 4.049 -6.371 1.00 1.00 H new ATOM 0 HD2 PHE A 729 0.353 3.970 -6.083 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.633 6.459 -5.768 1.00 1.00 H new ATOM 0 HE2 PHE A 729 0.349 6.360 -5.427 1.00 1.00 H new ATOM 0 HZ PHE A 729 2.490 7.615 -5.285 1.00 1.00 H new ATOM 73 N ARG A 730 2.656 -0.097 -8.559 1.00 1.00 N ATOM 74 CA ARG A 730 2.253 -1.465 -8.859 1.00 1.00 C ATOM 75 C ARG A 730 3.455 -2.385 -8.806 1.00 1.00 C ATOM 76 O ARG A 730 3.381 -3.380 -8.100 1.00 1.00 O ATOM 77 CB ARG A 730 1.513 -1.562 -10.199 1.00 1.00 C ATOM 78 CG ARG A 730 0.662 -2.838 -10.255 1.00 1.00 C ATOM 79 CD ARG A 730 -0.253 -2.803 -11.482 1.00 1.00 C ATOM 80 NE ARG A 730 -1.438 -3.652 -11.289 1.00 1.00 N ATOM 81 CZ ARG A 730 -1.650 -4.863 -11.804 1.00 1.00 C ATOM 82 NH1 ARG A 730 -0.673 -5.512 -12.414 1.00 1.00 N ATOM 83 NH2 ARG A 730 -2.848 -5.428 -11.706 1.00 1.00 N ATOM 0 H ARG A 730 2.389 0.588 -9.266 1.00 1.00 H new ATOM 0 HA ARG A 730 1.545 -1.788 -8.096 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.876 -0.688 -10.333 1.00 1.00 H new ATOM 0 HB3 ARG A 730 2.232 -1.562 -11.018 1.00 1.00 H new ATOM 0 HG2 ARG A 730 1.308 -3.715 -10.298 1.00 1.00 H new ATOM 0 HG3 ARG A 730 0.064 -2.927 -9.348 1.00 1.00 H new ATOM 0 HD2 ARG A 730 -0.566 -1.777 -11.676 1.00 1.00 H new ATOM 0 HD3 ARG A 730 0.299 -3.139 -12.360 1.00 1.00 H new ATOM 0 HE ARG A 730 -2.177 -3.273 -10.697 1.00 1.00 H new ATOM 0 HH11 ARG A 730 0.251 -5.086 -12.493 1.00 1.00 H new ATOM 0 HH12 ARG A 730 -0.843 -6.438 -12.806 1.00 1.00 H new ATOM 0 HH21 ARG A 730 -3.607 -4.935 -11.236 1.00 1.00 H new ATOM 0 HH22 ARG A 730 -3.009 -6.355 -12.101 1.00 1.00 H new ATOM 97 N ALA A 731 4.568 -2.039 -9.454 1.00 1.00 N ATOM 98 CA ALA A 731 5.747 -2.886 -9.388 1.00 1.00 C ATOM 99 C ALA A 731 6.287 -3.020 -7.966 1.00 1.00 C ATOM 100 O ALA A 731 6.785 -4.101 -7.633 1.00 1.00 O ATOM 101 CB ALA A 731 6.826 -2.388 -10.348 1.00 1.00 C ATOM 0 H ALA A 731 4.673 -1.195 -10.018 1.00 1.00 H new ATOM 0 HA ALA A 731 5.444 -3.885 -9.701 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.699 -3.037 -10.282 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.440 -2.401 -11.367 1.00 1.00 H new ATOM 0 HB3 ALA A 731 7.109 -1.370 -10.081 1.00 1.00 H new ATOM 107 N MET A 732 6.223 -1.984 -7.123 1.00 1.00 N ATOM 108 CA MET A 732 6.624 -2.125 -5.725 1.00 1.00 C ATOM 109 C MET A 732 5.722 -3.148 -5.032 1.00 1.00 C ATOM 110 O MET A 732 6.208 -4.105 -4.431 1.00 1.00 O ATOM 111 CB MET A 732 6.555 -0.783 -4.994 1.00 1.00 C ATOM 112 CG MET A 732 7.568 0.251 -5.487 1.00 1.00 C ATOM 113 SD MET A 732 7.319 1.904 -4.776 1.00 1.00 S ATOM 114 CE MET A 732 8.020 1.642 -3.125 1.00 1.00 C ATOM 0 H MET A 732 5.901 -1.051 -7.382 1.00 1.00 H new ATOM 0 HA MET A 732 7.657 -2.472 -5.696 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.551 -0.373 -5.104 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.715 -0.953 -3.929 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.574 -0.093 -5.244 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.507 0.318 -6.573 1.00 1.00 H new ATOM 0 HE1 MET A 732 7.948 2.564 -2.549 1.00 1.00 H new ATOM 0 HE2 MET A 732 7.467 0.852 -2.616 1.00 1.00 H new ATOM 0 HE3 MET A 732 9.067 1.351 -3.216 1.00 1.00 H new ATOM 124 N ILE A 733 4.404 -2.974 -5.132 1.00 1.00 N ATOM 125 CA ILE A 733 3.456 -3.850 -4.458 1.00 1.00 C ATOM 126 C ILE A 733 3.540 -5.274 -5.020 1.00 1.00 C ATOM 127 O ILE A 733 3.405 -6.226 -4.261 1.00 1.00 O ATOM 128 CB ILE A 733 2.024 -3.254 -4.445 1.00 1.00 C ATOM 129 CG1 ILE A 733 2.041 -1.784 -3.975 1.00 1.00 C ATOM 130 CG2 ILE A 733 1.130 -4.042 -3.484 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.727 -1.120 -3.568 1.00 1.00 C ATOM 0 H ILE A 733 3.971 -2.229 -5.677 1.00 1.00 H new ATOM 0 HA ILE A 733 3.734 -3.923 -3.407 1.00 1.00 H new ATOM 0 HB ILE A 733 1.638 -3.313 -5.463 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.720 -1.719 -3.125 1.00 1.00 H new ATOM 0 HG13 ILE A 733 2.476 -1.187 -4.777 1.00 1.00 H new ATOM 0 HG21 ILE A 733 0.128 -3.613 -3.485 1.00 1.00 H new ATOM 0 HG22 ILE A 733 1.079 -5.083 -3.805 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.545 -3.992 -2.477 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.918 -0.090 -3.265 1.00 1.00 H new ATOM 0 HD12 ILE A 733 0.038 -1.128 -4.413 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.286 -1.667 -2.735 1.00 1.00 H new ATOM 143 N VAL A 734 3.802 -5.447 -6.312 1.00 1.00 N ATOM 144 CA VAL A 734 4.002 -6.748 -6.944 1.00 1.00 C ATOM 145 C VAL A 734 5.278 -7.405 -6.413 1.00 1.00 C ATOM 146 O VAL A 734 5.280 -8.607 -6.145 1.00 1.00 O ATOM 147 CB VAL A 734 3.955 -6.563 -8.474 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.409 -7.780 -9.289 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.501 -6.251 -8.876 1.00 1.00 C ATOM 0 H VAL A 734 3.883 -4.668 -6.965 1.00 1.00 H new ATOM 0 HA VAL A 734 3.204 -7.445 -6.689 1.00 1.00 H new ATOM 0 HB VAL A 734 4.654 -5.758 -8.700 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.340 -7.552 -10.353 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.441 -8.023 -9.036 1.00 1.00 H new ATOM 0 HG13 VAL A 734 3.769 -8.632 -9.058 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.443 -6.116 -9.956 1.00 1.00 H new ATOM 0 HG22 VAL A 734 1.856 -7.078 -8.579 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.174 -5.338 -8.378 1.00 1.00 H new ATOM 159 N GLU A 735 6.352 -6.639 -6.190 1.00 1.00 N ATOM 160 CA GLU A 735 7.560 -7.181 -5.590 1.00 1.00 C ATOM 161 C GLU A 735 7.240 -7.682 -4.174 1.00 1.00 C ATOM 162 O GLU A 735 7.629 -8.793 -3.808 1.00 1.00 O ATOM 163 CB GLU A 735 8.660 -6.113 -5.650 1.00 1.00 C ATOM 164 CG GLU A 735 10.023 -6.622 -5.173 1.00 1.00 C ATOM 165 CD GLU A 735 10.414 -6.013 -3.832 1.00 1.00 C ATOM 166 OE1 GLU A 735 10.047 -6.575 -2.777 1.00 1.00 O ATOM 167 OE2 GLU A 735 11.119 -4.975 -3.832 1.00 1.00 O ATOM 0 H GLU A 735 6.402 -5.646 -6.418 1.00 1.00 H new ATOM 0 HA GLU A 735 7.935 -8.046 -6.137 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.752 -5.753 -6.675 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.364 -5.261 -5.038 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.996 -7.708 -5.085 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.782 -6.381 -5.917 1.00 1.00 H new ATOM 174 N PHE A 736 6.463 -6.912 -3.410 1.00 1.00 N ATOM 175 CA PHE A 736 5.981 -7.282 -2.084 1.00 1.00 C ATOM 176 C PHE A 736 5.017 -8.477 -2.129 1.00 1.00 C ATOM 177 O PHE A 736 5.055 -9.292 -1.209 1.00 1.00 O ATOM 178 CB PHE A 736 5.373 -6.035 -1.438 1.00 1.00 C ATOM 179 CG PHE A 736 4.585 -6.211 -0.149 1.00 1.00 C ATOM 180 CD1 PHE A 736 5.211 -6.633 1.042 1.00 1.00 C ATOM 181 CD2 PHE A 736 3.226 -5.837 -0.124 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.468 -6.689 2.236 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.494 -5.869 1.074 1.00 1.00 C ATOM 184 CZ PHE A 736 3.113 -6.315 2.251 1.00 1.00 C ATOM 0 H PHE A 736 6.145 -5.990 -3.707 1.00 1.00 H new ATOM 0 HA PHE A 736 6.810 -7.629 -1.468 1.00 1.00 H new ATOM 0 HB2 PHE A 736 6.183 -5.332 -1.241 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.715 -5.566 -2.170 1.00 1.00 H new ATOM 0 HD1 PHE A 736 6.254 -6.912 1.038 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.742 -5.522 -1.037 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.942 -7.022 3.147 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.462 -5.552 1.089 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.548 -6.371 3.170 1.00 1.00 H new ATOM 194 N MET A 737 4.195 -8.644 -3.171 1.00 1.00 N ATOM 195 CA MET A 737 3.323 -9.809 -3.356 1.00 1.00 C ATOM 196 C MET A 737 4.190 -11.052 -3.484 1.00 1.00 C ATOM 197 O MET A 737 3.987 -12.016 -2.743 1.00 1.00 O ATOM 198 CB MET A 737 2.406 -9.664 -4.585 1.00 1.00 C ATOM 199 CG MET A 737 1.197 -8.742 -4.373 1.00 1.00 C ATOM 200 SD MET A 737 -0.058 -9.301 -3.186 1.00 1.00 S ATOM 201 CE MET A 737 -0.625 -10.844 -3.947 1.00 1.00 C ATOM 0 H MET A 737 4.116 -7.960 -3.924 1.00 1.00 H new ATOM 0 HA MET A 737 2.669 -9.891 -2.488 1.00 1.00 H new ATOM 0 HB2 MET A 737 2.995 -9.283 -5.419 1.00 1.00 H new ATOM 0 HB3 MET A 737 2.047 -10.652 -4.873 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.564 -7.769 -4.047 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.711 -8.592 -5.337 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.523 -11.193 -3.437 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.850 -10.669 -4.999 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.156 -11.599 -3.864 1.00 1.00 H new ATOM 211 N ALA A 738 5.176 -11.024 -4.382 1.00 1.00 N ATOM 212 CA ALA A 738 6.132 -12.108 -4.556 1.00 1.00 C ATOM 213 C ALA A 738 6.956 -12.364 -3.284 1.00 1.00 C ATOM 214 O ALA A 738 7.509 -13.453 -3.123 1.00 1.00 O ATOM 215 CB ALA A 738 7.021 -11.803 -5.761 1.00 1.00 C ATOM 0 H ALA A 738 5.331 -10.238 -5.013 1.00 1.00 H new ATOM 0 HA ALA A 738 5.584 -13.031 -4.744 1.00 1.00 H new ATOM 0 HB1 ALA A 738 7.740 -12.611 -5.897 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.404 -11.712 -6.655 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.555 -10.868 -5.592 1.00 1.00 H new ATOM 221 N SER A 739 7.094 -11.370 -2.403 1.00 1.00 N ATOM 222 CA SER A 739 7.843 -11.476 -1.161 1.00 1.00 C ATOM 223 C SER A 739 7.004 -12.048 -0.007 1.00 1.00 C ATOM 224 O SER A 739 7.508 -12.847 0.784 1.00 1.00 O ATOM 225 CB SER A 739 8.375 -10.081 -0.808 1.00 1.00 C ATOM 226 OG SER A 739 9.541 -10.193 -0.037 1.00 1.00 O ATOM 0 H SER A 739 6.676 -10.450 -2.542 1.00 1.00 H new ATOM 0 HA SER A 739 8.664 -12.178 -1.307 1.00 1.00 H new ATOM 0 HB2 SER A 739 8.584 -9.521 -1.720 1.00 1.00 H new ATOM 0 HB3 SER A 739 7.618 -9.522 -0.258 1.00 1.00 H new ATOM 0 HG SER A 739 10.188 -9.514 -0.322 1.00 1.00 H new ATOM 232 N LYS A 740 5.748 -11.611 0.133 1.00 1.00 N ATOM 233 CA LYS A 740 4.814 -11.943 1.212 1.00 1.00 C ATOM 234 C LYS A 740 5.458 -11.908 2.597 1.00 1.00 C ATOM 235 O LYS A 740 5.332 -12.858 3.372 1.00 1.00 O ATOM 236 CB LYS A 740 3.935 -13.166 0.884 1.00 1.00 C ATOM 237 CG LYS A 740 4.725 -14.454 0.605 1.00 1.00 C ATOM 238 CD LYS A 740 3.792 -15.670 0.566 1.00 1.00 C ATOM 239 CE LYS A 740 4.483 -16.928 0.028 1.00 1.00 C ATOM 240 NZ LYS A 740 5.729 -17.270 0.740 1.00 1.00 N ATOM 0 H LYS A 740 5.331 -10.976 -0.548 1.00 1.00 H new ATOM 0 HA LYS A 740 4.087 -11.134 1.276 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.255 -13.344 1.717 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.320 -12.935 0.014 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.252 -14.364 -0.345 1.00 1.00 H new ATOM 0 HG3 LYS A 740 5.482 -14.596 1.377 1.00 1.00 H new ATOM 0 HD2 LYS A 740 3.417 -15.868 1.570 1.00 1.00 H new ATOM 0 HD3 LYS A 740 2.928 -15.440 -0.057 1.00 1.00 H new ATOM 0 HE2 LYS A 740 3.793 -17.769 0.097 1.00 1.00 H new ATOM 0 HE3 LYS A 740 4.706 -16.785 -1.029 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 6.124 -18.148 0.347 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 6.417 -16.499 0.625 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 5.525 -17.404 1.751 1.00 1.00 H new ATOM 253 N LYS A 741 6.142 -10.798 2.914 1.00 1.00 N ATOM 254 CA LYS A 741 6.792 -10.597 4.199 1.00 1.00 C ATOM 255 C LYS A 741 5.751 -10.532 5.317 1.00 1.00 C ATOM 256 O LYS A 741 5.448 -11.564 5.902 1.00 1.00 O ATOM 257 CB LYS A 741 7.628 -9.323 4.109 1.00 1.00 C ATOM 258 CG LYS A 741 8.780 -9.442 3.116 1.00 1.00 C ATOM 259 CD LYS A 741 9.706 -10.652 3.316 1.00 1.00 C ATOM 260 CE LYS A 741 11.055 -10.416 2.625 1.00 1.00 C ATOM 261 NZ LYS A 741 11.783 -11.674 2.381 1.00 1.00 N ATOM 0 H LYS A 741 6.255 -10.013 2.273 1.00 1.00 H new ATOM 0 HA LYS A 741 7.449 -11.433 4.438 1.00 1.00 H new ATOM 0 HB2 LYS A 741 6.986 -8.492 3.816 1.00 1.00 H new ATOM 0 HB3 LYS A 741 8.027 -9.085 5.095 1.00 1.00 H new ATOM 0 HG2 LYS A 741 8.365 -9.487 2.109 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.381 -8.534 3.173 1.00 1.00 H new ATOM 0 HD2 LYS A 741 9.862 -10.826 4.381 1.00 1.00 H new ATOM 0 HD3 LYS A 741 9.235 -11.548 2.912 1.00 1.00 H new ATOM 0 HE2 LYS A 741 10.891 -9.903 1.677 1.00 1.00 H new ATOM 0 HE3 LYS A 741 11.667 -9.758 3.242 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 12.688 -11.466 1.913 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 11.964 -12.152 3.287 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 11.212 -12.293 1.771 1.00 1.00 H new ATOM 274 N MET A 742 5.122 -9.379 5.532 1.00 1.00 N ATOM 275 CA MET A 742 4.028 -9.125 6.468 1.00 1.00 C ATOM 276 C MET A 742 3.332 -7.834 6.065 1.00 1.00 C ATOM 277 O MET A 742 2.146 -7.862 5.756 1.00 1.00 O ATOM 278 CB MET A 742 4.476 -9.037 7.946 1.00 1.00 C ATOM 279 CG MET A 742 4.664 -10.384 8.651 1.00 1.00 C ATOM 280 SD MET A 742 3.128 -11.349 8.780 1.00 1.00 S ATOM 281 CE MET A 742 3.673 -13.026 8.381 1.00 1.00 C ATOM 0 H MET A 742 5.382 -8.536 5.020 1.00 1.00 H new ATOM 0 HA MET A 742 3.352 -9.978 6.409 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.416 -8.486 7.992 1.00 1.00 H new ATOM 0 HB3 MET A 742 3.738 -8.455 8.499 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.408 -10.969 8.110 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.061 -10.210 9.651 1.00 1.00 H new ATOM 0 HE1 MET A 742 2.864 -13.729 8.581 1.00 1.00 H new ATOM 0 HE2 MET A 742 3.947 -13.078 7.327 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.537 -13.283 8.994 1.00 1.00 H new ATOM 291 N GLN A 743 4.056 -6.718 6.034 1.00 1.00 N ATOM 292 CA GLN A 743 3.534 -5.384 5.776 1.00 1.00 C ATOM 293 C GLN A 743 4.507 -4.554 4.936 1.00 1.00 C ATOM 294 O GLN A 743 5.684 -4.893 4.809 1.00 1.00 O ATOM 295 CB GLN A 743 3.158 -4.703 7.110 1.00 1.00 C ATOM 296 CG GLN A 743 4.158 -4.845 8.274 1.00 1.00 C ATOM 297 CD GLN A 743 5.496 -4.151 8.032 1.00 1.00 C ATOM 298 OE1 GLN A 743 6.485 -4.775 7.649 1.00 1.00 O ATOM 299 NE2 GLN A 743 5.565 -2.851 8.254 1.00 1.00 N ATOM 0 H GLN A 743 5.063 -6.722 6.195 1.00 1.00 H new ATOM 0 HA GLN A 743 2.625 -5.465 5.180 1.00 1.00 H new ATOM 0 HB2 GLN A 743 3.010 -3.640 6.918 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.199 -5.104 7.437 1.00 1.00 H new ATOM 0 HG2 GLN A 743 3.707 -4.437 9.179 1.00 1.00 H new ATOM 0 HG3 GLN A 743 4.338 -5.904 8.458 1.00 1.00 H new ATOM 0 HE21 GLN A 743 4.739 -2.343 8.571 1.00 1.00 H new ATOM 0 HE22 GLN A 743 6.444 -2.355 8.108 1.00 1.00 H new ATOM 308 N LEU A 744 4.005 -3.465 4.363 1.00 1.00 N ATOM 309 CA LEU A 744 4.738 -2.469 3.609 1.00 1.00 C ATOM 310 C LEU A 744 4.084 -1.145 3.984 1.00 1.00 C ATOM 311 O LEU A 744 2.873 -0.976 3.804 1.00 1.00 O ATOM 312 CB LEU A 744 4.630 -2.764 2.102 1.00 1.00 C ATOM 313 CG LEU A 744 5.724 -2.116 1.231 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.471 -2.467 -0.238 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.830 -0.595 1.347 1.00 1.00 C ATOM 0 H LEU A 744 3.010 -3.246 4.420 1.00 1.00 H new ATOM 0 HA LEU A 744 5.804 -2.458 3.834 1.00 1.00 H new ATOM 0 HB2 LEU A 744 4.662 -3.844 1.955 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.657 -2.423 1.749 1.00 1.00 H new ATOM 0 HG LEU A 744 6.666 -2.519 1.603 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.242 -2.011 -0.859 1.00 1.00 H new ATOM 0 HD12 LEU A 744 5.497 -3.549 -0.363 1.00 1.00 H new ATOM 0 HD13 LEU A 744 4.493 -2.091 -0.539 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.627 -0.235 0.697 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.885 -0.141 1.048 1.00 1.00 H new ATOM 0 HD23 LEU A 744 6.053 -0.323 2.379 1.00 1.00 H new ATOM 327 N GLU A 745 4.854 -0.221 4.549 1.00 1.00 N ATOM 328 CA GLU A 745 4.396 1.099 4.904 1.00 1.00 C ATOM 329 C GLU A 745 4.712 2.033 3.737 1.00 1.00 C ATOM 330 O GLU A 745 5.857 2.111 3.282 1.00 1.00 O ATOM 331 CB GLU A 745 5.151 1.536 6.160 1.00 1.00 C ATOM 332 CG GLU A 745 4.584 0.907 7.443 1.00 1.00 C ATOM 333 CD GLU A 745 5.264 1.434 8.713 1.00 1.00 C ATOM 334 OE1 GLU A 745 6.050 2.411 8.662 1.00 1.00 O ATOM 335 OE2 GLU A 745 5.077 0.826 9.791 1.00 1.00 O ATOM 0 H GLU A 745 5.836 -0.382 4.774 1.00 1.00 H new ATOM 0 HA GLU A 745 3.324 1.119 5.103 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.202 1.263 6.060 1.00 1.00 H new ATOM 0 HB3 GLU A 745 5.110 2.622 6.244 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.514 1.108 7.499 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.703 -0.175 7.395 1.00 1.00 H new ATOM 342 N PHE A 746 3.690 2.714 3.225 1.00 1.00 N ATOM 343 CA PHE A 746 3.790 3.732 2.193 1.00 1.00 C ATOM 344 C PHE A 746 3.661 5.078 2.935 1.00 1.00 C ATOM 345 O PHE A 746 2.782 5.204 3.793 1.00 1.00 O ATOM 346 CB PHE A 746 2.753 3.473 1.089 1.00 1.00 C ATOM 347 CG PHE A 746 3.164 2.422 0.071 1.00 1.00 C ATOM 348 CD1 PHE A 746 4.110 2.753 -0.917 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.598 1.131 0.076 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.495 1.816 -1.887 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.974 0.196 -0.903 1.00 1.00 C ATOM 352 CZ PHE A 746 3.932 0.533 -1.878 1.00 1.00 C ATOM 0 H PHE A 746 2.730 2.562 3.534 1.00 1.00 H new ATOM 0 HA PHE A 746 4.736 3.728 1.652 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.816 3.164 1.553 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.556 4.409 0.566 1.00 1.00 H new ATOM 0 HD1 PHE A 746 4.545 3.741 -0.928 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.876 0.861 0.832 1.00 1.00 H new ATOM 0 HE1 PHE A 746 5.223 2.083 -2.639 1.00 1.00 H new ATOM 0 HE2 PHE A 746 2.526 -0.787 -0.908 1.00 1.00 H new ATOM 0 HZ PHE A 746 4.232 -0.195 -2.617 1.00 1.00 H new ATOM 362 N PRO A 747 4.503 6.082 2.626 1.00 1.00 N ATOM 363 CA PRO A 747 4.560 7.355 3.345 1.00 1.00 C ATOM 364 C PRO A 747 3.260 8.176 3.399 1.00 1.00 C ATOM 365 O PRO A 747 2.368 8.010 2.566 1.00 1.00 O ATOM 366 CB PRO A 747 5.720 8.130 2.705 1.00 1.00 C ATOM 367 CG PRO A 747 5.891 7.515 1.325 1.00 1.00 C ATOM 368 CD PRO A 747 5.471 6.067 1.536 1.00 1.00 C ATOM 0 HA PRO A 747 4.715 7.151 4.404 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.494 9.194 2.637 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.631 8.035 3.295 1.00 1.00 H new ATOM 0 HG2 PRO A 747 5.266 8.012 0.583 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.921 7.589 0.976 1.00 1.00 H new ATOM 0 HD2 PRO A 747 5.030 5.653 0.629 1.00 1.00 H new ATOM 0 HD3 PRO A 747 6.330 5.444 1.786 1.00 1.00 H new ATOM 376 N PRO A 748 3.161 9.141 4.341 1.00 1.00 N ATOM 377 CA PRO A 748 2.011 10.035 4.458 1.00 1.00 C ATOM 378 C PRO A 748 1.903 10.957 3.243 1.00 1.00 C ATOM 379 O PRO A 748 0.815 11.444 2.939 1.00 1.00 O ATOM 380 CB PRO A 748 2.219 10.821 5.759 1.00 1.00 C ATOM 381 CG PRO A 748 3.730 10.851 5.913 1.00 1.00 C ATOM 382 CD PRO A 748 4.180 9.521 5.313 1.00 1.00 C ATOM 0 HA PRO A 748 1.073 9.481 4.487 1.00 1.00 H new ATOM 0 HB2 PRO A 748 1.802 11.826 5.693 1.00 1.00 H new ATOM 0 HB3 PRO A 748 1.738 10.331 6.606 1.00 1.00 H new ATOM 0 HG2 PRO A 748 4.170 11.698 5.386 1.00 1.00 H new ATOM 0 HG3 PRO A 748 4.025 10.939 6.959 1.00 1.00 H new ATOM 0 HD2 PRO A 748 5.154 9.621 4.835 1.00 1.00 H new ATOM 0 HD3 PRO A 748 4.281 8.760 6.087 1.00 1.00 H new ATOM 390 N SER A 749 3.028 11.178 2.561 1.00 1.00 N ATOM 391 CA SER A 749 3.237 12.058 1.430 1.00 1.00 C ATOM 392 C SER A 749 2.287 11.809 0.253 1.00 1.00 C ATOM 393 O SER A 749 2.116 12.706 -0.579 1.00 1.00 O ATOM 394 CB SER A 749 4.687 11.852 0.974 1.00 1.00 C ATOM 395 OG SER A 749 5.604 11.856 2.061 1.00 1.00 O ATOM 0 H SER A 749 3.890 10.697 2.817 1.00 1.00 H new ATOM 0 HA SER A 749 3.032 13.079 1.751 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.766 10.905 0.440 1.00 1.00 H new ATOM 0 HB3 SER A 749 4.959 12.639 0.270 1.00 1.00 H new ATOM 0 HG SER A 749 6.513 11.720 1.722 1.00 1.00 H new ATOM 401 N LEU A 750 1.699 10.612 0.132 1.00 1.00 N ATOM 402 CA LEU A 750 0.707 10.300 -0.892 1.00 1.00 C ATOM 403 C LEU A 750 -0.484 11.222 -0.655 1.00 1.00 C ATOM 404 O LEU A 750 -1.172 11.095 0.356 1.00 1.00 O ATOM 405 CB LEU A 750 0.367 8.806 -0.837 1.00 1.00 C ATOM 406 CG LEU A 750 1.397 7.870 -1.516 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.306 8.527 -2.562 1.00 1.00 C ATOM 408 CD2 LEU A 750 2.317 7.202 -0.499 1.00 1.00 C ATOM 0 H LEU A 750 1.904 9.828 0.751 1.00 1.00 H new ATOM 0 HA LEU A 750 1.073 10.477 -1.903 1.00 1.00 H new ATOM 0 HB2 LEU A 750 0.265 8.511 0.207 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -0.604 8.653 -1.307 1.00 1.00 H new ATOM 0 HG LEU A 750 0.756 7.152 -2.027 1.00 1.00 H new ATOM 0 HD11 LEU A 750 2.987 7.781 -2.972 1.00 1.00 H new ATOM 0 HD12 LEU A 750 1.696 8.942 -3.364 1.00 1.00 H new ATOM 0 HD13 LEU A 750 2.882 9.325 -2.094 1.00 1.00 H new ATOM 0 HD21 LEU A 750 3.024 6.554 -1.018 1.00 1.00 H new ATOM 0 HD22 LEU A 750 2.864 7.966 0.054 1.00 1.00 H new ATOM 0 HD23 LEU A 750 1.722 6.608 0.195 1.00 1.00 H new ATOM 420 N ASN A 751 -0.732 12.134 -1.601 1.00 1.00 N ATOM 421 CA ASN A 751 -1.750 13.172 -1.469 1.00 1.00 C ATOM 422 C ASN A 751 -3.171 12.643 -1.308 1.00 1.00 C ATOM 423 O ASN A 751 -3.763 12.794 -0.240 1.00 1.00 O ATOM 424 CB ASN A 751 -1.698 14.125 -2.665 1.00 1.00 C ATOM 425 CG ASN A 751 -0.504 15.064 -2.773 1.00 1.00 C ATOM 426 OD1 ASN A 751 -0.624 16.086 -3.440 1.00 1.00 O ATOM 427 ND2 ASN A 751 0.646 14.773 -2.183 1.00 1.00 N ATOM 0 H ASN A 751 -0.226 12.169 -2.486 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.508 13.697 -0.545 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -1.735 13.524 -3.574 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.602 14.733 -2.648 1.00 1.00 H new ATOM 0 HD21 ASN A 751 1.443 15.402 -2.281 1.00 1.00 H new ATOM 0 HD22 ASN A 751 0.734 13.920 -1.631 1.00 1.00 H new ATOM 434 N SER A 752 -3.776 12.097 -2.363 1.00 1.00 N ATOM 435 CA SER A 752 -5.092 11.466 -2.283 1.00 1.00 C ATOM 436 C SER A 752 -5.171 10.308 -3.265 1.00 1.00 C ATOM 437 O SER A 752 -5.193 9.151 -2.862 1.00 1.00 O ATOM 438 CB SER A 752 -6.202 12.505 -2.498 1.00 1.00 C ATOM 439 OG SER A 752 -6.266 13.383 -1.384 1.00 1.00 O ATOM 0 H SER A 752 -3.367 12.080 -3.297 1.00 1.00 H new ATOM 0 HA SER A 752 -5.241 11.054 -1.285 1.00 1.00 H new ATOM 0 HB2 SER A 752 -6.009 13.072 -3.408 1.00 1.00 H new ATOM 0 HB3 SER A 752 -7.160 12.003 -2.632 1.00 1.00 H new ATOM 0 HG SER A 752 -5.516 13.201 -0.781 1.00 1.00 H new ATOM 445 N HIS A 753 -5.126 10.624 -4.561 1.00 1.00 N ATOM 446 CA HIS A 753 -5.237 9.660 -5.652 1.00 1.00 C ATOM 447 C HIS A 753 -4.140 8.606 -5.564 1.00 1.00 C ATOM 448 O HIS A 753 -4.330 7.466 -5.983 1.00 1.00 O ATOM 449 CB HIS A 753 -5.214 10.376 -7.005 1.00 1.00 C ATOM 450 CG HIS A 753 -6.382 11.315 -7.153 1.00 1.00 C ATOM 451 ND1 HIS A 753 -7.634 10.988 -7.625 1.00 1.00 N ATOM 452 CD2 HIS A 753 -6.408 12.626 -6.769 1.00 1.00 C ATOM 453 CE1 HIS A 753 -8.407 12.078 -7.531 1.00 1.00 C ATOM 454 NE2 HIS A 753 -7.706 13.099 -7.001 1.00 1.00 N ATOM 0 H HIS A 753 -5.008 11.583 -4.887 1.00 1.00 H new ATOM 0 HA HIS A 753 -6.193 9.146 -5.559 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -4.283 10.933 -7.107 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -5.234 9.639 -7.808 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -5.583 13.192 -6.363 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -9.442 12.131 -7.836 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -8.054 14.038 -6.806 1.00 1.00 H new ATOM 462 N ASP A 754 -2.964 8.998 -5.084 1.00 1.00 N ATOM 463 CA ASP A 754 -1.789 8.172 -4.952 1.00 1.00 C ATOM 464 C ASP A 754 -2.077 7.116 -3.875 1.00 1.00 C ATOM 465 O ASP A 754 -1.876 5.923 -4.084 1.00 1.00 O ATOM 466 CB ASP A 754 -0.620 9.052 -4.477 1.00 1.00 C ATOM 467 CG ASP A 754 -0.560 10.454 -5.071 1.00 1.00 C ATOM 468 OD1 ASP A 754 -1.414 11.267 -4.645 1.00 1.00 O ATOM 469 OD2 ASP A 754 0.320 10.735 -5.913 1.00 1.00 O ATOM 0 H ASP A 754 -2.806 9.953 -4.762 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.538 7.699 -5.902 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.674 9.140 -3.392 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.313 8.539 -4.709 1.00 1.00 H new ATOM 474 N ARG A 755 -2.579 7.562 -2.715 1.00 1.00 N ATOM 475 CA ARG A 755 -2.912 6.717 -1.573 1.00 1.00 C ATOM 476 C ARG A 755 -4.039 5.771 -1.973 1.00 1.00 C ATOM 477 O ARG A 755 -3.932 4.565 -1.768 1.00 1.00 O ATOM 478 CB ARG A 755 -3.277 7.609 -0.373 1.00 1.00 C ATOM 479 CG ARG A 755 -3.577 6.767 0.868 1.00 1.00 C ATOM 480 CD ARG A 755 -3.740 7.625 2.130 1.00 1.00 C ATOM 481 NE ARG A 755 -5.000 8.376 2.082 1.00 1.00 N ATOM 482 CZ ARG A 755 -5.239 9.647 2.415 1.00 1.00 C ATOM 483 NH1 ARG A 755 -4.275 10.459 2.842 1.00 1.00 N ATOM 484 NH2 ARG A 755 -6.485 10.092 2.308 1.00 1.00 N ATOM 0 H ARG A 755 -2.768 8.550 -2.546 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.062 6.105 -1.271 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.456 8.294 -0.162 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -4.145 8.220 -0.621 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -4.488 6.192 0.702 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -2.771 6.050 1.021 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -3.723 6.988 3.014 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -2.901 8.316 2.218 1.00 1.00 H new ATOM 0 HE ARG A 755 -5.809 7.852 1.746 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -3.318 10.116 2.923 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -4.493 11.425 3.088 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -7.223 9.469 1.980 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -6.705 11.057 2.554 1.00 1.00 H new ATOM 498 N LEU A 756 -5.091 6.322 -2.577 1.00 1.00 N ATOM 499 CA LEU A 756 -6.222 5.602 -3.140 1.00 1.00 C ATOM 500 C LEU A 756 -5.711 4.488 -4.046 1.00 1.00 C ATOM 501 O LEU A 756 -6.120 3.344 -3.896 1.00 1.00 O ATOM 502 CB LEU A 756 -7.114 6.588 -3.881 1.00 1.00 C ATOM 503 CG LEU A 756 -8.158 5.958 -4.824 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.296 5.328 -4.022 1.00 1.00 C ATOM 505 CD2 LEU A 756 -8.700 7.029 -5.770 1.00 1.00 C ATOM 0 H LEU A 756 -5.178 7.332 -2.690 1.00 1.00 H new ATOM 0 HA LEU A 756 -6.818 5.136 -2.355 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.636 7.202 -3.147 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.481 7.257 -4.463 1.00 1.00 H new ATOM 0 HG LEU A 756 -7.681 5.171 -5.408 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.023 4.889 -4.705 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -8.895 4.552 -3.370 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.783 6.094 -3.418 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -9.438 6.585 -6.438 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -9.167 7.824 -5.190 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -7.881 7.443 -6.359 1.00 1.00 H new ATOM 517 N ARG A 757 -4.810 4.806 -4.981 1.00 1.00 N ATOM 518 CA ARG A 757 -4.229 3.815 -5.874 1.00 1.00 C ATOM 519 C ARG A 757 -3.583 2.698 -5.074 1.00 1.00 C ATOM 520 O ARG A 757 -3.901 1.553 -5.364 1.00 1.00 O ATOM 521 CB ARG A 757 -3.257 4.474 -6.845 1.00 1.00 C ATOM 522 CG ARG A 757 -2.584 3.544 -7.860 1.00 1.00 C ATOM 523 CD ARG A 757 -3.527 2.935 -8.903 1.00 1.00 C ATOM 524 NE ARG A 757 -4.242 1.732 -8.435 1.00 1.00 N ATOM 525 CZ ARG A 757 -4.859 0.865 -9.255 1.00 1.00 C ATOM 526 NH1 ARG A 757 -4.979 1.141 -10.549 1.00 1.00 N ATOM 527 NH2 ARG A 757 -5.339 -0.280 -8.783 1.00 1.00 N ATOM 0 H ARG A 757 -4.468 5.755 -5.135 1.00 1.00 H new ATOM 0 HA ARG A 757 -5.020 3.365 -6.474 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -3.792 5.250 -7.393 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.479 4.971 -6.267 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -1.803 4.101 -8.379 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -2.093 2.735 -7.319 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -4.258 3.687 -9.200 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -2.952 2.680 -9.793 1.00 1.00 H new ATOM 0 HE ARG A 757 -4.269 1.548 -7.432 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -4.602 2.013 -10.922 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -5.448 0.481 -11.170 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -5.240 -0.505 -7.793 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -5.807 -0.934 -9.410 1.00 1.00 H new ATOM 541 N VAL A 758 -2.708 2.995 -4.114 1.00 1.00 N ATOM 542 CA VAL A 758 -2.074 1.970 -3.276 1.00 1.00 C ATOM 543 C VAL A 758 -3.136 1.053 -2.645 1.00 1.00 C ATOM 544 O VAL A 758 -3.031 -0.170 -2.801 1.00 1.00 O ATOM 545 CB VAL A 758 -1.133 2.619 -2.235 1.00 1.00 C ATOM 546 CG1 VAL A 758 -0.606 1.616 -1.198 1.00 1.00 C ATOM 547 CG2 VAL A 758 0.081 3.269 -2.918 1.00 1.00 C ATOM 0 H VAL A 758 -2.418 3.948 -3.893 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.448 1.333 -3.901 1.00 1.00 H new ATOM 0 HB VAL A 758 -1.738 3.369 -1.725 1.00 1.00 H new ATOM 0 HG11 VAL A 758 0.049 2.130 -0.494 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.445 1.176 -0.658 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.048 0.829 -1.704 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.726 3.718 -2.163 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.639 2.511 -3.467 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.260 4.040 -3.609 1.00 1.00 H new ATOM 557 N HIS A 759 -4.158 1.620 -1.984 1.00 1.00 N ATOM 558 CA HIS A 759 -5.262 0.845 -1.415 1.00 1.00 C ATOM 559 C HIS A 759 -5.858 -0.080 -2.485 1.00 1.00 C ATOM 560 O HIS A 759 -6.012 -1.275 -2.256 1.00 1.00 O ATOM 561 CB HIS A 759 -6.383 1.742 -0.857 1.00 1.00 C ATOM 562 CG HIS A 759 -6.105 2.548 0.392 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.045 2.080 1.689 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.052 3.913 0.458 1.00 1.00 C ATOM 565 CE1 HIS A 759 -5.905 3.138 2.509 1.00 1.00 C ATOM 566 NE2 HIS A 759 -5.921 4.279 1.803 1.00 1.00 N ATOM 0 H HIS A 759 -4.238 2.625 -1.832 1.00 1.00 H new ATOM 0 HA HIS A 759 -4.849 0.265 -0.590 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -6.673 2.438 -1.644 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.247 1.108 -0.658 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.102 4.591 -0.381 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -5.795 3.077 3.582 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -5.851 5.227 2.173 1.00 1.00 H new ATOM 574 N GLN A 760 -6.168 0.469 -3.658 1.00 1.00 N ATOM 575 CA GLN A 760 -6.791 -0.233 -4.765 1.00 1.00 C ATOM 576 C GLN A 760 -5.930 -1.392 -5.273 1.00 1.00 C ATOM 577 O GLN A 760 -6.478 -2.471 -5.465 1.00 1.00 O ATOM 578 CB GLN A 760 -7.133 0.780 -5.860 1.00 1.00 C ATOM 579 CG GLN A 760 -8.356 1.618 -5.462 1.00 1.00 C ATOM 580 CD GLN A 760 -8.659 2.709 -6.481 1.00 1.00 C ATOM 581 OE1 GLN A 760 -7.781 3.217 -7.174 1.00 1.00 O ATOM 582 NE2 GLN A 760 -9.922 3.067 -6.629 1.00 1.00 N ATOM 0 H GLN A 760 -5.983 1.450 -3.865 1.00 1.00 H new ATOM 0 HA GLN A 760 -7.715 -0.700 -4.423 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.279 1.434 -6.036 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.333 0.258 -6.796 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.224 0.966 -5.360 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.182 2.072 -4.486 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.644 2.640 -6.049 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -10.175 3.770 -7.323 1.00 1.00 H new ATOM 591 N ILE A 761 -4.626 -1.222 -5.532 1.00 1.00 N ATOM 592 CA ILE A 761 -3.725 -2.316 -5.909 1.00 1.00 C ATOM 593 C ILE A 761 -3.834 -3.422 -4.860 1.00 1.00 C ATOM 594 O ILE A 761 -4.049 -4.583 -5.202 1.00 1.00 O ATOM 595 CB ILE A 761 -2.280 -1.773 -6.034 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.242 -0.671 -7.102 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.243 -2.862 -6.364 1.00 1.00 C ATOM 598 CD1 ILE A 761 -0.867 -0.076 -7.397 1.00 1.00 C ATOM 0 H ILE A 761 -4.165 -0.313 -5.485 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.002 -2.734 -6.877 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.004 -1.373 -5.058 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.648 -1.076 -8.029 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -2.906 0.135 -6.789 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.253 -2.412 -6.437 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.242 -3.614 -5.575 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -1.499 -3.332 -7.314 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -0.960 0.691 -8.166 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -0.460 0.368 -6.488 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.198 -0.862 -7.748 1.00 1.00 H new ATOM 610 N ALA A 762 -3.724 -3.056 -3.582 1.00 1.00 N ATOM 611 CA ALA A 762 -3.842 -4.015 -2.499 1.00 1.00 C ATOM 612 C ALA A 762 -5.170 -4.776 -2.520 1.00 1.00 C ATOM 613 O ALA A 762 -5.174 -5.989 -2.313 1.00 1.00 O ATOM 614 CB ALA A 762 -3.608 -3.284 -1.175 1.00 1.00 C ATOM 0 H ALA A 762 -3.553 -2.098 -3.278 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.081 -4.785 -2.625 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -3.693 -3.990 -0.349 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.611 -2.843 -1.174 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.353 -2.497 -1.057 1.00 1.00 H new ATOM 620 N GLU A 763 -6.265 -4.068 -2.773 1.00 1.00 N ATOM 621 CA GLU A 763 -7.616 -4.600 -2.801 1.00 1.00 C ATOM 622 C GLU A 763 -7.840 -5.494 -4.026 1.00 1.00 C ATOM 623 O GLU A 763 -8.583 -6.474 -3.957 1.00 1.00 O ATOM 624 CB GLU A 763 -8.572 -3.390 -2.787 1.00 1.00 C ATOM 625 CG GLU A 763 -10.023 -3.707 -2.396 1.00 1.00 C ATOM 626 CD GLU A 763 -11.013 -3.804 -3.560 1.00 1.00 C ATOM 627 OE1 GLU A 763 -10.630 -3.755 -4.753 1.00 1.00 O ATOM 628 OE2 GLU A 763 -12.233 -3.898 -3.289 1.00 1.00 O ATOM 0 H GLU A 763 -6.231 -3.068 -2.972 1.00 1.00 H new ATOM 0 HA GLU A 763 -7.800 -5.237 -1.936 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.180 -2.646 -2.094 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -8.571 -2.935 -3.777 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.036 -4.651 -1.851 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.372 -2.937 -1.708 1.00 1.00 H new ATOM 635 N GLU A 764 -7.223 -5.169 -5.167 1.00 1.00 N ATOM 636 CA GLU A 764 -7.246 -5.961 -6.375 1.00 1.00 C ATOM 637 C GLU A 764 -6.519 -7.282 -6.130 1.00 1.00 C ATOM 638 O GLU A 764 -6.936 -8.332 -6.628 1.00 1.00 O ATOM 639 CB GLU A 764 -6.540 -5.171 -7.489 1.00 1.00 C ATOM 640 CG GLU A 764 -6.976 -5.680 -8.859 1.00 1.00 C ATOM 641 CD GLU A 764 -5.805 -5.812 -9.835 1.00 1.00 C ATOM 642 OE1 GLU A 764 -5.321 -4.783 -10.371 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.338 -6.948 -10.079 1.00 1.00 O ATOM 0 H GLU A 764 -6.677 -4.313 -5.265 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.274 -6.174 -6.669 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -6.774 -4.111 -7.396 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.459 -5.269 -7.384 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -7.461 -6.649 -8.745 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -7.718 -4.999 -9.277 1.00 1.00 H new ATOM 650 N HIS A 765 -5.413 -7.226 -5.386 1.00 1.00 N ATOM 651 CA HIS A 765 -4.606 -8.354 -5.002 1.00 1.00 C ATOM 652 C HIS A 765 -5.169 -8.915 -3.691 1.00 1.00 C ATOM 653 O HIS A 765 -6.379 -8.884 -3.449 1.00 1.00 O ATOM 654 CB HIS A 765 -3.138 -7.922 -4.980 1.00 1.00 C ATOM 655 CG HIS A 765 -2.698 -7.348 -6.307 1.00 1.00 C ATOM 656 ND1 HIS A 765 -3.188 -7.637 -7.563 1.00 1.00 N ATOM 657 CD2 HIS A 765 -1.864 -6.285 -6.438 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.667 -6.741 -8.412 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.830 -5.903 -7.784 1.00 1.00 N ATOM 0 H HIS A 765 -5.050 -6.344 -5.024 1.00 1.00 H new ATOM 0 HA HIS A 765 -4.643 -9.180 -5.713 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -2.990 -7.179 -4.196 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.512 -8.778 -4.729 1.00 1.00 H new ATOM 0 HD1 HIS A 765 -3.829 -8.394 -7.802 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.317 -5.812 -5.636 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -2.892 -6.699 -9.467 1.00 1.00 H new ATOM 667 N GLY A 766 -4.297 -9.478 -2.865 1.00 1.00 N ATOM 668 CA GLY A 766 -4.590 -10.155 -1.630 1.00 1.00 C ATOM 669 C GLY A 766 -3.946 -9.448 -0.452 1.00 1.00 C ATOM 670 O GLY A 766 -3.190 -10.083 0.296 1.00 1.00 O ATOM 0 H GLY A 766 -3.297 -9.467 -3.065 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -5.669 -10.201 -1.484 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -4.231 -11.183 -1.681 1.00 1.00 H new ATOM 674 N LEU A 767 -4.184 -8.136 -0.301 1.00 1.00 N ATOM 675 CA LEU A 767 -3.548 -7.359 0.753 1.00 1.00 C ATOM 676 C LEU A 767 -4.566 -6.606 1.590 1.00 1.00 C ATOM 677 O LEU A 767 -5.520 -6.048 1.048 1.00 1.00 O ATOM 678 CB LEU A 767 -2.615 -6.296 0.162 1.00 1.00 C ATOM 679 CG LEU A 767 -1.530 -6.766 -0.797 1.00 1.00 C ATOM 680 CD1 LEU A 767 -0.632 -5.624 -1.249 1.00 1.00 C ATOM 681 CD2 LEU A 767 -0.625 -7.769 -0.112 1.00 1.00 C ATOM 0 H LEU A 767 -4.813 -7.599 -0.899 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.002 -8.077 1.364 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.229 -5.562 -0.359 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.131 -5.777 0.989 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.048 -7.199 -1.653 1.00 1.00 H new ATOM 0 HD11 LEU A 767 0.127 -6.006 -1.932 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.231 -4.870 -1.758 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.147 -5.177 -0.381 1.00 1.00 H new ATOM 0 HD21 LEU A 767 0.147 -8.098 -0.808 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.157 -7.304 0.755 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.213 -8.629 0.210 1.00 1.00 H new ATOM 693 N ARG A 768 -4.345 -6.546 2.905 1.00 1.00 N ATOM 694 CA ARG A 768 -5.173 -5.754 3.802 1.00 1.00 C ATOM 695 C ARG A 768 -4.587 -4.362 3.704 1.00 1.00 C ATOM 696 O ARG A 768 -3.460 -4.162 4.148 1.00 1.00 O ATOM 697 CB ARG A 768 -5.134 -6.273 5.251 1.00 1.00 C ATOM 698 CG ARG A 768 -6.080 -5.418 6.108 1.00 1.00 C ATOM 699 CD ARG A 768 -6.319 -6.004 7.503 1.00 1.00 C ATOM 700 NE ARG A 768 -7.492 -5.376 8.135 1.00 1.00 N ATOM 701 CZ ARG A 768 -7.589 -4.110 8.551 1.00 1.00 C ATOM 702 NH1 ARG A 768 -6.504 -3.422 8.888 1.00 1.00 N ATOM 703 NH2 ARG A 768 -8.787 -3.545 8.609 1.00 1.00 N ATOM 0 H ARG A 768 -3.588 -7.045 3.372 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.226 -5.795 3.523 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.436 -7.320 5.285 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -4.118 -6.221 5.643 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.664 -4.415 6.208 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -7.036 -5.317 5.594 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -6.471 -7.081 7.430 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -5.437 -5.848 8.125 1.00 1.00 H new ATOM 0 HE ARG A 768 -8.313 -5.967 8.268 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -5.584 -3.860 8.831 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -6.590 -2.456 9.204 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -9.615 -4.076 8.339 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -8.881 -2.579 8.924 1.00 1.00 H new ATOM 717 N HIS A 769 -5.286 -3.428 3.077 1.00 1.00 N ATOM 718 CA HIS A 769 -4.855 -2.040 3.019 1.00 1.00 C ATOM 719 C HIS A 769 -5.482 -1.338 4.223 1.00 1.00 C ATOM 720 O HIS A 769 -6.673 -1.505 4.487 1.00 1.00 O ATOM 721 CB HIS A 769 -5.307 -1.410 1.689 1.00 1.00 C ATOM 722 CG HIS A 769 -6.736 -1.703 1.281 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.871 -0.991 1.626 1.00 1.00 N ATOM 724 CD2 HIS A 769 -7.147 -2.801 0.572 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.936 -1.661 1.158 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.545 -2.780 0.532 1.00 1.00 N ATOM 0 H HIS A 769 -6.166 -3.611 2.595 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.770 -1.947 3.058 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.182 -0.329 1.758 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.643 -1.758 0.898 1.00 1.00 H new ATOM 0 HD1 HIS A 769 -7.894 -0.113 2.144 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.507 -3.548 0.125 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.962 -1.344 1.270 1.00 1.00 H new ATOM 734 N ASP A 770 -4.724 -0.522 4.944 1.00 1.00 N ATOM 735 CA ASP A 770 -5.192 0.283 6.070 1.00 1.00 C ATOM 736 C ASP A 770 -4.277 1.504 6.185 1.00 1.00 C ATOM 737 O ASP A 770 -3.316 1.641 5.429 1.00 1.00 O ATOM 738 CB ASP A 770 -5.202 -0.558 7.362 1.00 1.00 C ATOM 739 CG ASP A 770 -6.101 0.001 8.477 1.00 1.00 C ATOM 740 OD1 ASP A 770 -6.632 1.131 8.374 1.00 1.00 O ATOM 741 OD2 ASP A 770 -6.308 -0.703 9.492 1.00 1.00 O ATOM 0 H ASP A 770 -3.729 -0.396 4.755 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.217 0.618 5.910 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.530 -1.569 7.120 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.182 -0.635 7.739 1.00 1.00 H new ATOM 746 N SER A 771 -4.569 2.415 7.099 1.00 1.00 N ATOM 747 CA SER A 771 -3.747 3.571 7.398 1.00 1.00 C ATOM 748 C SER A 771 -3.159 3.388 8.800 1.00 1.00 C ATOM 749 O SER A 771 -3.682 2.607 9.604 1.00 1.00 O ATOM 750 CB SER A 771 -4.585 4.848 7.269 1.00 1.00 C ATOM 751 OG SER A 771 -5.403 4.819 6.106 1.00 1.00 O ATOM 0 H SER A 771 -5.413 2.366 7.670 1.00 1.00 H new ATOM 0 HA SER A 771 -2.922 3.666 6.692 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.212 4.964 8.153 1.00 1.00 H new ATOM 0 HB3 SER A 771 -3.925 5.715 7.230 1.00 1.00 H new ATOM 0 HG SER A 771 -5.926 5.646 6.053 1.00 1.00 H new ATOM 757 N SER A 772 -2.080 4.101 9.096 1.00 1.00 N ATOM 758 CA SER A 772 -1.346 4.034 10.352 1.00 1.00 C ATOM 759 C SER A 772 -0.832 5.436 10.685 1.00 1.00 C ATOM 760 O SER A 772 -0.810 6.291 9.799 1.00 1.00 O ATOM 761 CB SER A 772 -0.170 3.068 10.173 1.00 1.00 C ATOM 762 OG SER A 772 -0.570 1.780 9.725 1.00 1.00 O ATOM 0 H SER A 772 -1.676 4.769 8.440 1.00 1.00 H new ATOM 0 HA SER A 772 -1.984 3.681 11.162 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.535 3.492 9.458 1.00 1.00 H new ATOM 0 HB3 SER A 772 0.358 2.968 11.121 1.00 1.00 H new ATOM 0 HG SER A 772 -0.182 1.605 8.842 1.00 1.00 H new ATOM 768 N GLY A 773 -0.386 5.667 11.923 1.00 1.00 N ATOM 769 CA GLY A 773 0.191 6.929 12.371 1.00 1.00 C ATOM 770 C GLY A 773 -0.127 7.155 13.846 1.00 1.00 C ATOM 771 O GLY A 773 -0.762 6.301 14.472 1.00 1.00 O ATOM 0 H GLY A 773 -0.419 4.960 12.658 1.00 1.00 H new ATOM 0 HA2 GLY A 773 1.271 6.918 12.221 1.00 1.00 H new ATOM 0 HA3 GLY A 773 -0.205 7.751 11.775 1.00 1.00 H new ATOM 775 N GLU A 774 0.297 8.291 14.414 1.00 1.00 N ATOM 776 CA GLU A 774 -0.056 8.641 15.790 1.00 1.00 C ATOM 777 C GLU A 774 -0.692 10.033 15.864 1.00 1.00 C ATOM 778 O GLU A 774 -1.906 10.148 16.045 1.00 1.00 O ATOM 779 CB GLU A 774 1.202 8.509 16.675 1.00 1.00 C ATOM 780 CG GLU A 774 0.924 8.656 18.178 1.00 1.00 C ATOM 781 CD GLU A 774 -0.173 7.698 18.640 1.00 1.00 C ATOM 782 OE1 GLU A 774 0.087 6.486 18.827 1.00 1.00 O ATOM 783 OE2 GLU A 774 -1.339 8.136 18.721 1.00 1.00 O ATOM 0 H GLU A 774 0.883 8.979 13.941 1.00 1.00 H new ATOM 0 HA GLU A 774 -0.812 7.952 16.166 1.00 1.00 H new ATOM 0 HB2 GLU A 774 1.661 7.537 16.494 1.00 1.00 H new ATOM 0 HB3 GLU A 774 1.927 9.265 16.374 1.00 1.00 H new ATOM 0 HG2 GLU A 774 1.838 8.462 18.739 1.00 1.00 H new ATOM 0 HG3 GLU A 774 0.628 9.682 18.396 1.00 1.00 H new ATOM 790 N GLY A 775 0.071 11.089 15.575 1.00 1.00 N ATOM 791 CA GLY A 775 -0.375 12.471 15.713 1.00 1.00 C ATOM 792 C GLY A 775 -0.407 13.153 14.361 1.00 1.00 C ATOM 793 O GLY A 775 -1.475 13.536 13.891 1.00 1.00 O ATOM 0 H GLY A 775 1.029 11.004 15.234 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -1.367 12.496 16.164 1.00 1.00 H new ATOM 0 HA3 GLY A 775 0.294 13.010 16.384 1.00 1.00 H new ATOM 797 N LYS A 776 0.754 13.276 13.712 1.00 1.00 N ATOM 798 CA LYS A 776 0.911 13.920 12.407 1.00 1.00 C ATOM 799 C LYS A 776 1.746 13.025 11.488 1.00 1.00 C ATOM 800 O LYS A 776 2.710 13.480 10.863 1.00 1.00 O ATOM 801 CB LYS A 776 1.480 15.345 12.541 1.00 1.00 C ATOM 802 CG LYS A 776 0.652 16.303 13.409 1.00 1.00 C ATOM 803 CD LYS A 776 1.114 16.321 14.872 1.00 1.00 C ATOM 804 CE LYS A 776 0.176 17.200 15.693 1.00 1.00 C ATOM 805 NZ LYS A 776 0.568 17.205 17.110 1.00 1.00 N ATOM 0 H LYS A 776 1.632 12.921 14.090 1.00 1.00 H new ATOM 0 HA LYS A 776 -0.070 14.041 11.948 1.00 1.00 H new ATOM 0 HB2 LYS A 776 2.485 15.280 12.958 1.00 1.00 H new ATOM 0 HB3 LYS A 776 1.576 15.775 11.544 1.00 1.00 H new ATOM 0 HG2 LYS A 776 0.719 17.310 12.998 1.00 1.00 H new ATOM 0 HG3 LYS A 776 -0.397 16.011 13.367 1.00 1.00 H new ATOM 0 HD2 LYS A 776 1.124 15.308 15.273 1.00 1.00 H new ATOM 0 HD3 LYS A 776 2.134 16.700 14.937 1.00 1.00 H new ATOM 0 HE2 LYS A 776 0.191 18.218 15.304 1.00 1.00 H new ATOM 0 HE3 LYS A 776 -0.847 16.837 15.596 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 -0.085 17.810 17.649 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 0.530 16.235 17.484 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 1.536 17.574 17.201 1.00 1.00 H new ATOM 818 N ARG A 777 1.404 11.733 11.441 1.00 1.00 N ATOM 819 CA ARG A 777 2.011 10.737 10.559 1.00 1.00 C ATOM 820 C ARG A 777 0.929 9.847 9.940 1.00 1.00 C ATOM 821 O ARG A 777 1.125 8.641 9.890 1.00 1.00 O ATOM 822 CB ARG A 777 3.014 9.846 11.323 1.00 1.00 C ATOM 823 CG ARG A 777 4.000 10.506 12.283 1.00 1.00 C ATOM 824 CD ARG A 777 4.959 9.424 12.803 1.00 1.00 C ATOM 825 NE ARG A 777 5.666 9.838 14.023 1.00 1.00 N ATOM 826 CZ ARG A 777 6.266 9.016 14.891 1.00 1.00 C ATOM 827 NH1 ARG A 777 6.298 7.707 14.668 1.00 1.00 N ATOM 828 NH2 ARG A 777 6.836 9.500 15.985 1.00 1.00 N ATOM 0 H ARG A 777 0.674 11.342 12.036 1.00 1.00 H new ATOM 0 HA ARG A 777 2.544 11.276 9.775 1.00 1.00 H new ATOM 0 HB2 ARG A 777 2.439 9.114 11.891 1.00 1.00 H new ATOM 0 HB3 ARG A 777 3.593 9.292 10.584 1.00 1.00 H new ATOM 0 HG2 ARG A 777 4.556 11.294 11.775 1.00 1.00 H new ATOM 0 HG3 ARG A 777 3.469 10.974 13.112 1.00 1.00 H new ATOM 0 HD2 ARG A 777 4.398 8.512 13.004 1.00 1.00 H new ATOM 0 HD3 ARG A 777 5.687 9.186 12.028 1.00 1.00 H new ATOM 0 HE ARG A 777 5.702 10.837 14.225 1.00 1.00 H new ATOM 0 HH11 ARG A 777 5.863 7.322 13.830 1.00 1.00 H new ATOM 0 HH12 ARG A 777 6.758 7.087 15.335 1.00 1.00 H new ATOM 0 HH21 ARG A 777 6.818 10.503 16.168 1.00 1.00 H new ATOM 0 HH22 ARG A 777 7.292 8.869 16.644 1.00 1.00 H new ATOM 842 N ARG A 778 -0.209 10.360 9.464 1.00 1.00 N ATOM 843 CA ARG A 778 -1.205 9.461 8.879 1.00 1.00 C ATOM 844 C ARG A 778 -0.686 9.062 7.520 1.00 1.00 C ATOM 845 O ARG A 778 -0.637 9.888 6.602 1.00 1.00 O ATOM 846 CB ARG A 778 -2.589 10.089 8.826 1.00 1.00 C ATOM 847 CG ARG A 778 -3.677 9.232 8.148 1.00 1.00 C ATOM 848 CD ARG A 778 -3.773 9.477 6.632 1.00 1.00 C ATOM 849 NE ARG A 778 -5.088 9.115 6.084 1.00 1.00 N ATOM 850 CZ ARG A 778 -6.187 9.878 6.092 1.00 1.00 C ATOM 851 NH1 ARG A 778 -6.240 11.050 6.717 1.00 1.00 N ATOM 852 NH2 ARG A 778 -7.260 9.454 5.446 1.00 1.00 N ATOM 0 H ARG A 778 -0.457 11.349 9.470 1.00 1.00 H new ATOM 0 HA ARG A 778 -1.338 8.576 9.501 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -2.908 10.312 9.844 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -2.518 11.040 8.299 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -3.467 8.178 8.328 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -4.641 9.448 8.608 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -3.574 10.528 6.424 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -3.000 8.899 6.125 1.00 1.00 H new ATOM 0 HE ARG A 778 -5.171 8.193 5.656 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -5.422 11.399 7.216 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -7.099 11.600 6.698 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -7.239 8.561 4.954 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -8.108 10.020 5.440 1.00 1.00 H new ATOM 866 N PHE A 779 -0.368 7.790 7.402 1.00 1.00 N ATOM 867 CA PHE A 779 0.248 7.165 6.247 1.00 1.00 C ATOM 868 C PHE A 779 -0.464 5.866 5.894 1.00 1.00 C ATOM 869 O PHE A 779 -1.379 5.443 6.599 1.00 1.00 O ATOM 870 CB PHE A 779 1.768 7.040 6.476 1.00 1.00 C ATOM 871 CG PHE A 779 2.290 6.160 7.600 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.212 4.758 7.524 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.966 6.745 8.686 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.751 3.960 8.547 1.00 1.00 C ATOM 875 CE2 PHE A 779 3.475 5.952 9.726 1.00 1.00 C ATOM 876 CZ PHE A 779 3.360 4.555 9.663 1.00 1.00 C ATOM 0 H PHE A 779 -0.543 7.124 8.154 1.00 1.00 H new ATOM 0 HA PHE A 779 0.132 7.790 5.362 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.209 6.678 5.547 1.00 1.00 H new ATOM 0 HB3 PHE A 779 2.156 8.045 6.642 1.00 1.00 H new ATOM 0 HD1 PHE A 779 1.735 4.292 6.674 1.00 1.00 H new ATOM 0 HD2 PHE A 779 3.095 7.817 8.720 1.00 1.00 H new ATOM 0 HE1 PHE A 779 2.697 2.884 8.474 1.00 1.00 H new ATOM 0 HE2 PHE A 779 3.955 6.417 10.574 1.00 1.00 H new ATOM 0 HZ PHE A 779 3.738 3.942 10.468 1.00 1.00 H new ATOM 886 N ILE A 780 -0.074 5.260 4.777 1.00 1.00 N ATOM 887 CA ILE A 780 -0.670 4.070 4.183 1.00 1.00 C ATOM 888 C ILE A 780 0.117 2.816 4.540 1.00 1.00 C ATOM 889 O ILE A 780 1.320 2.836 4.790 1.00 1.00 O ATOM 890 CB ILE A 780 -1.002 4.334 2.691 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.364 3.092 1.843 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.107 5.342 1.955 1.00 1.00 C ATOM 893 CD1 ILE A 780 -2.777 2.576 2.049 1.00 1.00 C ATOM 0 H ILE A 780 0.714 5.608 4.230 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.643 3.847 4.620 1.00 1.00 H new ATOM 0 HB ILE A 780 -1.947 4.866 2.801 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -1.231 3.336 0.789 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -0.661 2.292 2.076 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.441 5.439 0.922 1.00 1.00 H new ATOM 0 HG22 ILE A 780 -0.169 6.312 2.449 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.925 4.992 1.971 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -2.942 1.705 1.415 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -2.913 2.296 3.093 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -3.491 3.356 1.787 1.00 1.00 H new ATOM 905 N THR A 781 -0.580 1.700 4.652 1.00 1.00 N ATOM 906 CA THR A 781 -0.046 0.427 5.072 1.00 1.00 C ATOM 907 C THR A 781 -0.791 -0.631 4.283 1.00 1.00 C ATOM 908 O THR A 781 -2.003 -0.529 4.084 1.00 1.00 O ATOM 909 CB THR A 781 -0.288 0.292 6.584 1.00 1.00 C ATOM 910 OG1 THR A 781 0.469 1.293 7.253 1.00 1.00 O ATOM 911 CG2 THR A 781 0.063 -1.093 7.141 1.00 1.00 C ATOM 0 H THR A 781 -1.577 1.660 4.442 1.00 1.00 H new ATOM 0 HA THR A 781 1.024 0.326 4.891 1.00 1.00 H new ATOM 0 HB THR A 781 -1.356 0.422 6.758 1.00 1.00 H new ATOM 0 HG1 THR A 781 1.180 1.616 6.661 1.00 1.00 H new ATOM 0 HG21 THR A 781 -0.133 -1.114 8.213 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.546 -1.849 6.646 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.118 -1.301 6.961 1.00 1.00 H new ATOM 919 N VAL A 782 -0.069 -1.627 3.796 1.00 1.00 N ATOM 920 CA VAL A 782 -0.668 -2.761 3.129 1.00 1.00 C ATOM 921 C VAL A 782 0.033 -3.985 3.683 1.00 1.00 C ATOM 922 O VAL A 782 1.257 -3.986 3.832 1.00 1.00 O ATOM 923 CB VAL A 782 -0.628 -2.650 1.599 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.596 -1.594 1.083 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.719 -2.242 1.035 1.00 1.00 C ATOM 0 H VAL A 782 0.949 -1.668 3.854 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.738 -2.819 3.330 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.885 -3.659 1.275 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.537 -1.547 -0.004 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.612 -1.855 1.380 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.333 -0.623 1.503 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.657 -2.188 -0.052 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.999 -1.266 1.431 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.471 -2.978 1.319 1.00 1.00 H new ATOM 935 N SER A 783 -0.747 -5.008 3.994 1.00 1.00 N ATOM 936 CA SER A 783 -0.266 -6.219 4.633 1.00 1.00 C ATOM 937 C SER A 783 -0.646 -7.419 3.795 1.00 1.00 C ATOM 938 O SER A 783 -1.712 -7.449 3.191 1.00 1.00 O ATOM 939 CB SER A 783 -0.798 -6.336 6.057 1.00 1.00 C ATOM 940 OG SER A 783 -0.637 -5.115 6.751 1.00 1.00 O ATOM 0 H SER A 783 -1.749 -5.019 3.805 1.00 1.00 H new ATOM 0 HA SER A 783 0.821 -6.177 4.704 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.852 -6.612 6.035 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.271 -7.132 6.583 1.00 1.00 H new ATOM 0 HG SER A 783 -0.985 -5.208 7.662 1.00 1.00 H new ATOM 946 N LYS A 784 0.231 -8.406 3.744 1.00 1.00 N ATOM 947 CA LYS A 784 0.088 -9.586 2.911 1.00 1.00 C ATOM 948 C LYS A 784 -0.753 -10.670 3.518 1.00 1.00 C ATOM 949 O LYS A 784 -0.479 -11.073 4.647 1.00 1.00 O ATOM 950 CB LYS A 784 1.471 -10.157 2.561 1.00 1.00 C ATOM 951 CG LYS A 784 2.094 -9.403 1.383 1.00 1.00 C ATOM 952 CD LYS A 784 1.877 -10.085 0.012 1.00 1.00 C ATOM 953 CE LYS A 784 0.587 -10.911 -0.201 1.00 1.00 C ATOM 954 NZ LYS A 784 0.737 -12.327 0.192 1.00 1.00 N ATOM 0 H LYS A 784 1.088 -8.408 4.298 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.435 -9.251 2.015 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.127 -10.089 3.429 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.380 -11.214 2.313 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.675 -8.397 1.347 1.00 1.00 H new ATOM 0 HG3 LYS A 784 3.164 -9.297 1.559 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.905 -9.309 -0.753 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.727 -10.743 -0.170 1.00 1.00 H new ATOM 0 HE2 LYS A 784 -0.223 -10.464 0.375 1.00 1.00 H new ATOM 0 HE3 LYS A 784 0.298 -10.860 -1.251 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 -0.128 -12.648 0.672 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 0.898 -12.907 -0.656 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 1.547 -12.424 0.837 1.00 1.00 H new ATOM 967 N ARG A 785 -1.787 -11.121 2.802 1.00 1.00 N ATOM 968 CA ARG A 785 -2.521 -12.260 3.317 1.00 1.00 C ATOM 969 C ARG A 785 -1.517 -13.398 3.081 1.00 1.00 C ATOM 970 O ARG A 785 -1.129 -13.623 1.931 1.00 1.00 O ATOM 971 CB ARG A 785 -3.825 -12.495 2.534 1.00 1.00 C ATOM 972 CG ARG A 785 -4.888 -11.404 2.743 1.00 1.00 C ATOM 973 CD ARG A 785 -6.089 -11.687 1.830 1.00 1.00 C ATOM 974 NE ARG A 785 -7.050 -10.570 1.788 1.00 1.00 N ATOM 975 CZ ARG A 785 -8.240 -10.604 1.173 1.00 1.00 C ATOM 976 NH1 ARG A 785 -8.671 -11.693 0.551 1.00 1.00 N ATOM 977 NH2 ARG A 785 -9.012 -9.532 1.175 1.00 1.00 N ATOM 0 H ARG A 785 -2.115 -10.736 1.916 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.840 -12.150 4.354 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -3.591 -12.561 1.471 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.244 -13.457 2.828 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -5.205 -11.384 3.786 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.469 -10.423 2.519 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -5.732 -11.891 0.821 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.599 -12.586 2.176 1.00 1.00 H new ATOM 0 HE ARG A 785 -6.789 -9.706 2.263 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -8.092 -12.533 0.533 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -9.581 -11.691 0.091 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -8.702 -8.681 1.644 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -9.918 -9.555 0.708 1.00 1.00 H new ATOM 991 N ALA A 786 -0.985 -13.998 4.145 1.00 1.00 N ATOM 992 CA ALA A 786 -0.115 -15.157 4.086 1.00 1.00 C ATOM 993 C ALA A 786 -1.034 -16.294 3.661 1.00 1.00 C ATOM 994 O ALA A 786 -1.795 -16.783 4.524 1.00 1.00 O ATOM 995 CB ALA A 786 0.539 -15.398 5.454 1.00 1.00 C ATOM 0 H ALA A 786 -1.157 -13.676 5.098 1.00 1.00 H new ATOM 0 HA ALA A 786 0.715 -15.045 3.389 1.00 1.00 H new ATOM 0 HB1 ALA A 786 1.190 -16.271 5.397 1.00 1.00 H new ATOM 0 HB2 ALA A 786 1.127 -14.524 5.735 1.00 1.00 H new ATOM 0 HB3 ALA A 786 -0.235 -15.570 6.202 1.00 1.00 H new TER 1001 ALA A 786