USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 476 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 Single : A 722 SER OG : rot -35:sc= 0.0913 USER MOD Single : A 723 SER OG : rot 180:sc= 0 USER MOD Single : A 727 HIS : no HE2:sc= -4.77! K(o=-4.8!,f=-3.3) USER MOD Single : A 728 LYS NZ :NH3+ -171:sc=-0.00508 (180deg=-0.0814) USER MOD Single : A 729 LYS NZ :NH3+ 175:sc= -1.12 (180deg=-1.22) USER MOD Single : A 736 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 740 ASN : amide:sc= 0.562 K(o=0.56,f=0) USER MOD Single : A 741 TYR OH : rot 180:sc= -0.0113 USER MOD Single : A 743 GLN : amide:sc= -0.469 K(o=-0.47,f=-2.9) USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 HIS : no HE2:sc= -7.41! C(o=-7.4!,f=-12!) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 HIS : no HE2:sc= -3.34 K(o=-3.3,f=-6.1!) USER MOD Single : A 755 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 759 MET CE :methyl -118:sc= -3.52 (180deg=-8.54!) USER MOD Single : A 761 SER OG : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= -10.1! C(o=-10!,f=-15!) USER MOD Single : A 768 TYR OH : rot 165:sc= 0 USER MOD Single : A 770 GLN : amide:sc= -2.44 K(o=-2.4,f=-8.3!) USER MOD Single : A 771 GLN : amide:sc= -0.612 X(o=-0.61,f=-0.13) USER MOD Single : A 776 HIS : no HE2:sc= -3.81 K(o=-3.8,f=-6.1) USER MOD Single : A 778 GLN : amide:sc= -3.35 K(o=-3.4,f=-1.8) USER MOD Single : A 779 THR OG1 : rot 57:sc= 1.34 USER MOD Single : A 780 HIS : no HE2:sc= -5.11! C(o=-5.1!,f=-4.9!) USER MOD Single : A 783 GLN : amide:sc= -0.215 K(o=-0.22,f=-2!) USER MOD Single : A 784 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 722 35.519 1.655 -3.140 1.00 0.00 N ATOM 2 CA SER A 722 34.791 2.921 -2.863 1.00 0.00 C ATOM 3 C SER A 722 34.078 2.865 -1.517 1.00 0.00 C ATOM 4 O SER A 722 34.215 1.894 -0.772 1.00 0.00 O ATOM 5 CB SER A 722 33.780 3.158 -3.987 1.00 0.00 C ATOM 6 OG SER A 722 32.861 2.083 -4.080 1.00 0.00 O ATOM 0 HA SER A 722 35.506 3.742 -2.821 1.00 0.00 H new ATOM 0 HB2 SER A 722 33.240 4.087 -3.805 1.00 0.00 H new ATOM 0 HB3 SER A 722 34.306 3.275 -4.935 1.00 0.00 H new ATOM 0 HG SER A 722 33.317 1.243 -3.861 1.00 0.00 H new ATOM 14 N SER A 723 33.316 3.910 -1.211 1.00 0.00 N ATOM 15 CA SER A 723 32.582 3.978 0.046 1.00 0.00 C ATOM 16 C SER A 723 31.125 4.362 -0.195 1.00 0.00 C ATOM 17 O SER A 723 30.498 5.013 0.641 1.00 0.00 O ATOM 18 CB SER A 723 33.237 4.987 0.990 1.00 0.00 C ATOM 19 OG SER A 723 33.691 6.128 0.283 1.00 0.00 O ATOM 0 H SER A 723 33.191 4.721 -1.817 1.00 0.00 H new ATOM 0 HA SER A 723 32.608 2.990 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 723 32.523 5.290 1.755 1.00 0.00 H new ATOM 0 HB3 SER A 723 34.075 4.517 1.505 1.00 0.00 H new ATOM 0 HG SER A 723 34.104 6.758 0.910 1.00 0.00 H new ATOM 25 N PHE A 724 30.592 3.953 -1.341 1.00 0.00 N ATOM 26 CA PHE A 724 29.209 4.253 -1.692 1.00 0.00 C ATOM 27 C PHE A 724 28.300 3.071 -1.369 1.00 0.00 C ATOM 28 O PHE A 724 28.773 1.989 -1.022 1.00 0.00 O ATOM 29 CB PHE A 724 29.100 4.603 -3.177 1.00 0.00 C ATOM 30 CG PHE A 724 27.954 5.520 -3.496 1.00 0.00 C ATOM 31 CD1 PHE A 724 28.009 6.863 -3.157 1.00 0.00 C ATOM 32 CD2 PHE A 724 26.821 5.039 -4.133 1.00 0.00 C ATOM 33 CE1 PHE A 724 26.955 7.708 -3.450 1.00 0.00 C ATOM 34 CE2 PHE A 724 25.765 5.879 -4.428 1.00 0.00 C ATOM 35 CZ PHE A 724 25.831 7.216 -4.085 1.00 0.00 C ATOM 0 H PHE A 724 31.097 3.412 -2.043 1.00 0.00 H new ATOM 0 HA PHE A 724 28.888 5.110 -1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 724 30.030 5.071 -3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 724 28.989 3.683 -3.751 1.00 0.00 H new ATOM 0 HD1 PHE A 724 28.884 7.253 -2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 724 26.763 3.995 -4.402 1.00 0.00 H new ATOM 0 HE1 PHE A 724 27.010 8.753 -3.182 1.00 0.00 H new ATOM 0 HE2 PHE A 724 24.889 5.491 -4.926 1.00 0.00 H new ATOM 0 HZ PHE A 724 25.006 7.875 -4.313 1.00 0.00 H new ATOM 45 N ASP A 725 26.993 3.285 -1.485 1.00 0.00 N ATOM 46 CA ASP A 725 26.021 2.235 -1.204 1.00 0.00 C ATOM 47 C ASP A 725 24.601 2.718 -1.485 1.00 0.00 C ATOM 48 O ASP A 725 24.006 3.434 -0.679 1.00 0.00 O ATOM 49 CB ASP A 725 26.137 1.778 0.251 1.00 0.00 C ATOM 50 CG ASP A 725 25.965 2.923 1.232 1.00 0.00 C ATOM 51 OD1 ASP A 725 26.901 3.738 1.363 1.00 0.00 O ATOM 52 OD2 ASP A 725 24.893 3.001 1.869 1.00 0.00 O ATOM 0 H ASP A 725 26.584 4.174 -1.771 1.00 0.00 H new ATOM 0 HA ASP A 725 26.236 1.392 -1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 725 25.384 1.016 0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 725 27.110 1.313 0.406 1.00 0.00 H new ATOM 57 N VAL A 726 24.064 2.319 -2.633 1.00 0.00 N ATOM 58 CA VAL A 726 22.717 2.704 -3.022 1.00 0.00 C ATOM 59 C VAL A 726 21.688 2.201 -2.017 1.00 0.00 C ATOM 60 O VAL A 726 21.755 1.058 -1.564 1.00 0.00 O ATOM 61 CB VAL A 726 22.369 2.155 -4.417 1.00 0.00 C ATOM 62 CG1 VAL A 726 23.061 2.967 -5.500 1.00 0.00 C ATOM 63 CG2 VAL A 726 22.734 0.680 -4.522 1.00 0.00 C ATOM 0 H VAL A 726 24.545 1.727 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 726 22.688 3.793 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 726 21.293 2.246 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 726 22.802 2.563 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 726 22.737 4.006 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 726 24.141 2.915 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 726 22.480 0.312 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 726 23.804 0.557 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 726 22.180 0.114 -3.773 1.00 0.00 H new ATOM 73 N HIS A 727 20.734 3.061 -1.673 1.00 0.00 N ATOM 74 CA HIS A 727 19.690 2.702 -0.721 1.00 0.00 C ATOM 75 C HIS A 727 18.307 2.993 -1.295 1.00 0.00 C ATOM 76 O HIS A 727 18.076 4.054 -1.875 1.00 0.00 O ATOM 77 CB HIS A 727 19.881 3.464 0.592 1.00 0.00 C ATOM 78 CG HIS A 727 20.648 2.695 1.621 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.262 3.288 2.705 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.895 1.369 1.730 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.854 2.360 3.435 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.647 1.187 2.865 1.00 0.00 N ATOM 0 H HIS A 727 20.663 4.010 -2.039 1.00 0.00 H new ATOM 0 HA HIS A 727 19.765 1.632 -0.525 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.400 4.400 0.388 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.903 3.724 0.998 1.00 0.00 H new ATOM 0 HD1 HIS A 727 21.259 4.287 2.911 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.563 0.598 1.051 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.412 2.531 4.343 1.00 0.00 H new ATOM 91 N LYS A 728 17.392 2.044 -1.129 1.00 0.00 N ATOM 92 CA LYS A 728 16.032 2.201 -1.630 1.00 0.00 C ATOM 93 C LYS A 728 15.118 2.774 -0.552 1.00 0.00 C ATOM 94 O LYS A 728 15.028 2.235 0.551 1.00 0.00 O ATOM 95 CB LYS A 728 15.484 0.857 -2.115 1.00 0.00 C ATOM 96 CG LYS A 728 15.900 0.507 -3.535 1.00 0.00 C ATOM 97 CD LYS A 728 14.834 -0.315 -4.241 1.00 0.00 C ATOM 98 CE LYS A 728 15.274 -0.714 -5.640 1.00 0.00 C ATOM 99 NZ LYS A 728 15.419 0.466 -6.535 1.00 0.00 N ATOM 0 H LYS A 728 17.567 1.159 -0.652 1.00 0.00 H new ATOM 0 HA LYS A 728 16.060 2.898 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.825 0.071 -1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.396 0.876 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 728 16.087 1.422 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 728 16.836 -0.051 -3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 728 14.617 -1.210 -3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 728 13.909 0.259 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 728 16.224 -1.246 -5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 728 14.547 -1.405 -6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 15.570 0.144 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 14.555 1.044 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 16.233 1.036 -6.229 1.00 0.00 H new ATOM 113 N LYS A 729 14.443 3.870 -0.880 1.00 0.00 N ATOM 114 CA LYS A 729 13.535 4.518 0.059 1.00 0.00 C ATOM 115 C LYS A 729 12.098 4.454 -0.448 1.00 0.00 C ATOM 116 O LYS A 729 11.822 4.773 -1.604 1.00 0.00 O ATOM 117 CB LYS A 729 13.952 5.976 0.278 1.00 0.00 C ATOM 118 CG LYS A 729 14.221 6.319 1.734 1.00 0.00 C ATOM 119 CD LYS A 729 13.058 7.079 2.354 1.00 0.00 C ATOM 120 CE LYS A 729 13.543 8.189 3.271 1.00 0.00 C ATOM 121 NZ LYS A 729 12.619 9.357 3.267 1.00 0.00 N ATOM 0 H LYS A 729 14.507 4.328 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 729 13.589 3.987 1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 729 14.849 6.180 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.168 6.631 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 729 14.400 5.403 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 729 15.128 6.919 1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 729 12.437 7.503 1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 729 12.430 6.389 2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 729 13.638 7.805 4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 729 14.536 8.511 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 12.940 10.056 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 12.613 9.792 2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 11.658 9.040 3.509 1.00 0.00 H new ATOM 135 N CYS A 730 11.186 4.041 0.425 1.00 0.00 N ATOM 136 CA CYS A 730 9.777 3.936 0.065 1.00 0.00 C ATOM 137 C CYS A 730 9.146 5.327 -0.038 1.00 0.00 C ATOM 138 O CYS A 730 9.495 6.230 0.721 1.00 0.00 O ATOM 139 CB CYS A 730 9.034 3.074 1.093 1.00 0.00 C ATOM 140 SG CYS A 730 7.233 3.239 1.056 1.00 0.00 S ATOM 0 H CYS A 730 11.397 3.774 1.386 1.00 0.00 H new ATOM 0 HA CYS A 730 9.697 3.456 -0.910 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.293 2.029 0.926 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.389 3.335 2.090 1.00 0.00 H new ATOM 145 N PRO A 731 8.211 5.523 -0.990 1.00 0.00 N ATOM 146 CA PRO A 731 7.543 6.802 -1.196 1.00 0.00 C ATOM 147 C PRO A 731 6.294 6.970 -0.332 1.00 0.00 C ATOM 148 O PRO A 731 5.325 7.606 -0.747 1.00 0.00 O ATOM 149 CB PRO A 731 7.160 6.769 -2.684 1.00 0.00 C ATOM 150 CG PRO A 731 7.396 5.362 -3.157 1.00 0.00 C ATOM 151 CD PRO A 731 7.732 4.527 -1.950 1.00 0.00 C ATOM 0 HA PRO A 731 8.187 7.637 -0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.117 7.054 -2.822 1.00 0.00 H new ATOM 0 HB3 PRO A 731 7.762 7.476 -3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 731 6.510 4.972 -3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 731 8.210 5.333 -3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 731 6.861 3.990 -1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 731 8.495 3.781 -2.174 1.00 0.00 H new ATOM 159 N LEU A 732 6.321 6.405 0.870 1.00 0.00 N ATOM 160 CA LEU A 732 5.188 6.502 1.786 1.00 0.00 C ATOM 161 C LEU A 732 5.665 6.795 3.204 1.00 0.00 C ATOM 162 O LEU A 732 5.094 7.633 3.902 1.00 0.00 O ATOM 163 CB LEU A 732 4.370 5.207 1.764 1.00 0.00 C ATOM 164 CG LEU A 732 3.628 4.932 0.453 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.854 3.500 -0.006 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.142 5.213 0.614 1.00 0.00 C ATOM 0 H LEU A 732 7.113 5.876 1.233 1.00 0.00 H new ATOM 0 HA LEU A 732 4.554 7.325 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 732 5.038 4.370 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.643 5.241 2.575 1.00 0.00 H new ATOM 0 HG LEU A 732 4.026 5.600 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.317 3.328 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.919 3.332 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.488 2.812 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.630 5.012 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.733 4.571 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 732 1.997 6.257 0.891 1.00 0.00 H new ATOM 178 N CYS A 733 6.715 6.098 3.621 1.00 0.00 N ATOM 179 CA CYS A 733 7.276 6.275 4.954 1.00 0.00 C ATOM 180 C CYS A 733 8.634 6.969 4.877 1.00 0.00 C ATOM 181 O CYS A 733 9.007 7.506 3.833 1.00 0.00 O ATOM 182 CB CYS A 733 7.420 4.918 5.641 1.00 0.00 C ATOM 183 SG CYS A 733 8.557 3.794 4.801 1.00 0.00 S ATOM 0 H CYS A 733 7.197 5.402 3.052 1.00 0.00 H new ATOM 0 HA CYS A 733 6.600 6.902 5.536 1.00 0.00 H new ATOM 0 HB2 CYS A 733 7.766 5.073 6.663 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.439 4.447 5.705 1.00 0.00 H new ATOM 188 N GLU A 734 9.370 6.954 5.984 1.00 0.00 N ATOM 189 CA GLU A 734 10.686 7.581 6.035 1.00 0.00 C ATOM 190 C GLU A 734 11.753 6.574 6.457 1.00 0.00 C ATOM 191 O GLU A 734 12.624 6.880 7.273 1.00 0.00 O ATOM 192 CB GLU A 734 10.670 8.768 7.001 1.00 0.00 C ATOM 193 CG GLU A 734 11.312 10.024 6.433 1.00 0.00 C ATOM 194 CD GLU A 734 12.540 10.455 7.210 1.00 0.00 C ATOM 195 OE1 GLU A 734 12.611 10.159 8.422 1.00 0.00 O ATOM 196 OE2 GLU A 734 13.433 11.090 6.608 1.00 0.00 O ATOM 0 H GLU A 734 9.078 6.515 6.857 1.00 0.00 H new ATOM 0 HA GLU A 734 10.931 7.941 5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 734 9.638 8.989 7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 734 11.189 8.487 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 734 11.588 9.848 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 734 10.582 10.834 6.436 1.00 0.00 H new ATOM 203 N LEU A 735 11.679 5.370 5.898 1.00 0.00 N ATOM 204 CA LEU A 735 12.637 4.317 6.218 1.00 0.00 C ATOM 205 C LEU A 735 13.589 4.068 5.051 1.00 0.00 C ATOM 206 O LEU A 735 13.252 4.324 3.895 1.00 0.00 O ATOM 207 CB LEU A 735 11.904 3.021 6.577 1.00 0.00 C ATOM 208 CG LEU A 735 12.461 2.278 7.792 1.00 0.00 C ATOM 209 CD1 LEU A 735 12.307 3.120 9.049 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.765 0.936 7.959 1.00 0.00 C ATOM 0 H LEU A 735 10.966 5.099 5.221 1.00 0.00 H new ATOM 0 HA LEU A 735 13.223 4.646 7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.855 3.254 6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 735 11.935 2.353 5.716 1.00 0.00 H new ATOM 0 HG LEU A 735 13.523 2.097 7.629 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.709 2.575 9.903 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.850 4.057 8.928 1.00 0.00 H new ATOM 0 HD13 LEU A 735 11.251 3.332 9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 735 12.173 0.420 8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.696 1.096 8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 735 11.926 0.329 7.068 1.00 0.00 H new ATOM 222 N MET A 736 14.777 3.561 5.364 1.00 0.00 N ATOM 223 CA MET A 736 15.780 3.268 4.344 1.00 0.00 C ATOM 224 C MET A 736 16.089 1.775 4.308 1.00 0.00 C ATOM 225 O MET A 736 16.209 1.132 5.351 1.00 0.00 O ATOM 226 CB MET A 736 17.060 4.061 4.614 1.00 0.00 C ATOM 227 CG MET A 736 17.870 4.355 3.363 1.00 0.00 C ATOM 228 SD MET A 736 19.096 5.651 3.617 1.00 0.00 S ATOM 229 CE MET A 736 18.136 7.109 3.212 1.00 0.00 C ATOM 0 H MET A 736 15.070 3.344 6.317 1.00 0.00 H new ATOM 0 HA MET A 736 15.379 3.564 3.375 1.00 0.00 H new ATOM 0 HB2 MET A 736 16.799 5.003 5.097 1.00 0.00 H new ATOM 0 HB3 MET A 736 17.681 3.504 5.316 1.00 0.00 H new ATOM 0 HG2 MET A 736 18.372 3.444 3.038 1.00 0.00 H new ATOM 0 HG3 MET A 736 17.195 4.651 2.560 1.00 0.00 H new ATOM 0 HE1 MET A 736 18.759 7.997 3.322 1.00 0.00 H new ATOM 0 HE2 MET A 736 17.783 7.038 2.183 1.00 0.00 H new ATOM 0 HE3 MET A 736 17.281 7.180 3.884 1.00 0.00 H new ATOM 239 N PHE A 737 16.210 1.226 3.104 1.00 0.00 N ATOM 240 CA PHE A 737 16.499 -0.195 2.940 1.00 0.00 C ATOM 241 C PHE A 737 17.872 -0.411 2.306 1.00 0.00 C ATOM 242 O PHE A 737 18.317 0.387 1.480 1.00 0.00 O ATOM 243 CB PHE A 737 15.417 -0.860 2.086 1.00 0.00 C ATOM 244 CG PHE A 737 14.060 -0.862 2.731 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.920 -1.110 4.087 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.922 -0.613 1.979 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.672 -1.113 4.681 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.672 -0.615 2.567 1.00 0.00 C ATOM 249 CZ PHE A 737 11.547 -0.865 3.920 1.00 0.00 C ATOM 0 H PHE A 737 16.113 1.741 2.229 1.00 0.00 H new ATOM 0 HA PHE A 737 16.506 -0.652 3.929 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.354 -0.344 1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.712 -1.888 1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.797 -1.303 4.687 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.014 -0.415 0.921 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.577 -1.309 5.739 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.793 -0.421 1.970 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.571 -0.866 4.382 1.00 0.00 H new ATOM 259 N PRO A 738 18.564 -1.501 2.686 1.00 0.00 N ATOM 260 CA PRO A 738 19.892 -1.823 2.153 1.00 0.00 C ATOM 261 C PRO A 738 19.853 -2.173 0.667 1.00 0.00 C ATOM 262 O PRO A 738 18.820 -2.595 0.147 1.00 0.00 O ATOM 263 CB PRO A 738 20.325 -3.041 2.976 1.00 0.00 C ATOM 264 CG PRO A 738 19.053 -3.648 3.456 1.00 0.00 C ATOM 265 CD PRO A 738 18.105 -2.503 3.665 1.00 0.00 C ATOM 0 HA PRO A 738 20.574 -0.976 2.229 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.895 -3.745 2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.963 -2.748 3.810 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.657 -4.355 2.726 1.00 0.00 H new ATOM 0 HG3 PRO A 738 19.209 -4.200 4.383 1.00 0.00 H new ATOM 0 HD2 PRO A 738 17.071 -2.798 3.484 1.00 0.00 H new ATOM 0 HD3 PRO A 738 18.154 -2.121 4.685 1.00 0.00 H new ATOM 273 N PRO A 739 20.987 -2.005 -0.036 1.00 0.00 N ATOM 274 CA PRO A 739 21.080 -2.308 -1.469 1.00 0.00 C ATOM 275 C PRO A 739 20.787 -3.775 -1.769 1.00 0.00 C ATOM 276 O PRO A 739 20.383 -4.123 -2.879 1.00 0.00 O ATOM 277 CB PRO A 739 22.534 -1.970 -1.821 1.00 0.00 C ATOM 278 CG PRO A 739 23.260 -1.967 -0.520 1.00 0.00 C ATOM 279 CD PRO A 739 22.263 -1.513 0.506 1.00 0.00 C ATOM 0 HA PRO A 739 20.350 -1.744 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 739 22.955 -2.707 -2.505 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.605 -1.000 -2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 739 23.640 -2.961 -0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 739 24.119 -1.297 -0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.474 -1.935 1.489 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.263 -0.429 0.618 1.00 0.00 H new ATOM 287 N ASN A 740 20.990 -4.631 -0.771 1.00 0.00 N ATOM 288 CA ASN A 740 20.742 -6.060 -0.929 1.00 0.00 C ATOM 289 C ASN A 740 19.314 -6.422 -0.525 1.00 0.00 C ATOM 290 O ASN A 740 18.987 -7.597 -0.357 1.00 0.00 O ATOM 291 CB ASN A 740 21.740 -6.864 -0.092 1.00 0.00 C ATOM 292 CG ASN A 740 22.211 -8.118 -0.802 1.00 0.00 C ATOM 293 OD1 ASN A 740 23.404 -8.422 -0.822 1.00 0.00 O ATOM 294 ND2 ASN A 740 21.275 -8.853 -1.390 1.00 0.00 N ATOM 0 H ASN A 740 21.325 -4.360 0.154 1.00 0.00 H new ATOM 0 HA ASN A 740 20.871 -6.309 -1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 740 22.601 -6.238 0.143 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.277 -7.138 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 740 21.533 -9.708 -1.884 1.00 0.00 H new ATOM 0 HD22 ASN A 740 20.298 -8.563 -1.348 1.00 0.00 H new ATOM 301 N TYR A 741 18.465 -5.408 -0.370 1.00 0.00 N ATOM 302 CA TYR A 741 17.075 -5.626 0.014 1.00 0.00 C ATOM 303 C TYR A 741 16.268 -6.176 -1.158 1.00 0.00 C ATOM 304 O TYR A 741 16.375 -5.685 -2.282 1.00 0.00 O ATOM 305 CB TYR A 741 16.453 -4.319 0.508 1.00 0.00 C ATOM 306 CG TYR A 741 15.114 -4.499 1.187 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.935 -4.501 0.452 1.00 0.00 C ATOM 308 CD2 TYR A 741 15.029 -4.664 2.564 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.711 -4.662 1.070 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.807 -4.825 3.188 1.00 0.00 C ATOM 311 CZ TYR A 741 12.651 -4.824 2.438 1.00 0.00 C ATOM 312 OH TYR A 741 11.433 -4.984 3.056 1.00 0.00 O ATOM 0 H TYR A 741 18.717 -4.429 -0.505 1.00 0.00 H new ATOM 0 HA TYR A 741 17.055 -6.359 0.821 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.142 -3.840 1.204 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.333 -3.642 -0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 741 13.977 -4.375 -0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.932 -4.666 3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.804 -4.661 0.484 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.758 -4.951 4.259 1.00 0.00 H new ATOM 0 HH TYR A 741 11.567 -5.087 4.021 1.00 0.00 H new ATOM 322 N ASP A 742 15.462 -7.197 -0.888 1.00 0.00 N ATOM 323 CA ASP A 742 14.638 -7.813 -1.921 1.00 0.00 C ATOM 324 C ASP A 742 13.549 -6.854 -2.388 1.00 0.00 C ATOM 325 O ASP A 742 12.776 -6.338 -1.583 1.00 0.00 O ATOM 326 CB ASP A 742 14.007 -9.105 -1.396 1.00 0.00 C ATOM 327 CG ASP A 742 14.823 -10.332 -1.750 1.00 0.00 C ATOM 328 OD1 ASP A 742 15.341 -10.393 -2.885 1.00 0.00 O ATOM 329 OD2 ASP A 742 14.947 -11.231 -0.892 1.00 0.00 O ATOM 0 H ASP A 742 15.362 -7.615 0.037 1.00 0.00 H new ATOM 0 HA ASP A 742 15.278 -8.050 -2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 742 13.903 -9.041 -0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 742 13.003 -9.209 -1.807 1.00 0.00 H new ATOM 334 N GLN A 743 13.496 -6.619 -3.695 1.00 0.00 N ATOM 335 CA GLN A 743 12.502 -5.721 -4.270 1.00 0.00 C ATOM 336 C GLN A 743 11.091 -6.191 -3.942 1.00 0.00 C ATOM 337 O GLN A 743 10.221 -5.388 -3.603 1.00 0.00 O ATOM 338 CB GLN A 743 12.685 -5.625 -5.783 1.00 0.00 C ATOM 339 CG GLN A 743 11.666 -4.730 -6.468 1.00 0.00 C ATOM 340 CD GLN A 743 11.812 -3.273 -6.076 1.00 0.00 C ATOM 341 OE1 GLN A 743 12.793 -2.884 -5.443 1.00 0.00 O ATOM 342 NE2 GLN A 743 10.832 -2.457 -6.450 1.00 0.00 N ATOM 0 H GLN A 743 14.130 -7.038 -4.376 1.00 0.00 H new ATOM 0 HA GLN A 743 12.645 -4.733 -3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 743 13.686 -5.249 -5.995 1.00 0.00 H new ATOM 0 HB3 GLN A 743 12.622 -6.625 -6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 743 11.774 -4.824 -7.549 1.00 0.00 H new ATOM 0 HG3 GLN A 743 10.662 -5.071 -6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 743 10.037 -2.822 -6.974 1.00 0.00 H new ATOM 0 HE22 GLN A 743 10.875 -1.466 -6.213 1.00 0.00 H new ATOM 351 N SER A 744 10.871 -7.498 -4.034 1.00 0.00 N ATOM 352 CA SER A 744 9.565 -8.073 -3.735 1.00 0.00 C ATOM 353 C SER A 744 9.116 -7.653 -2.342 1.00 0.00 C ATOM 354 O SER A 744 7.960 -7.281 -2.130 1.00 0.00 O ATOM 355 CB SER A 744 9.616 -9.598 -3.831 1.00 0.00 C ATOM 356 OG SER A 744 9.991 -10.016 -5.133 1.00 0.00 O ATOM 0 H SER A 744 11.579 -8.178 -4.313 1.00 0.00 H new ATOM 0 HA SER A 744 8.847 -7.703 -4.467 1.00 0.00 H new ATOM 0 HB2 SER A 744 10.327 -9.988 -3.102 1.00 0.00 H new ATOM 0 HB3 SER A 744 8.641 -10.014 -3.579 1.00 0.00 H new ATOM 0 HG SER A 744 10.018 -10.995 -5.167 1.00 0.00 H new ATOM 362 N LYS A 745 10.052 -7.690 -1.399 1.00 0.00 N ATOM 363 CA LYS A 745 9.768 -7.290 -0.031 1.00 0.00 C ATOM 364 C LYS A 745 9.488 -5.796 0.010 1.00 0.00 C ATOM 365 O LYS A 745 8.649 -5.327 0.777 1.00 0.00 O ATOM 366 CB LYS A 745 10.945 -7.632 0.884 1.00 0.00 C ATOM 367 CG LYS A 745 11.100 -9.121 1.144 1.00 0.00 C ATOM 368 CD LYS A 745 11.713 -9.386 2.510 1.00 0.00 C ATOM 369 CE LYS A 745 10.651 -9.744 3.540 1.00 0.00 C ATOM 370 NZ LYS A 745 10.734 -8.875 4.748 1.00 0.00 N ATOM 0 H LYS A 745 11.013 -7.993 -1.560 1.00 0.00 H new ATOM 0 HA LYS A 745 8.892 -7.833 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.864 -7.252 0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 745 10.816 -7.117 1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 745 10.126 -9.606 1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 745 11.727 -9.563 0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 745 12.436 -10.199 2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 745 12.260 -8.503 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 745 9.663 -9.648 3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 745 10.767 -10.787 3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 9.994 -9.150 5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 11.668 -8.985 5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 10.597 -7.882 4.471 1.00 0.00 H new ATOM 384 N PHE A 746 10.196 -5.057 -0.839 1.00 0.00 N ATOM 385 CA PHE A 746 10.025 -3.616 -0.921 1.00 0.00 C ATOM 386 C PHE A 746 8.635 -3.291 -1.441 1.00 0.00 C ATOM 387 O PHE A 746 7.979 -2.371 -0.957 1.00 0.00 O ATOM 388 CB PHE A 746 11.088 -3.002 -1.835 1.00 0.00 C ATOM 389 CG PHE A 746 11.056 -1.501 -1.862 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.133 -0.774 -0.684 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.949 -0.816 -3.062 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.104 0.607 -0.702 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.921 0.566 -3.086 1.00 0.00 C ATOM 394 CZ PHE A 746 10.997 1.279 -1.905 1.00 0.00 C ATOM 0 H PHE A 746 10.894 -5.436 -1.479 1.00 0.00 H new ATOM 0 HA PHE A 746 10.141 -3.191 0.076 1.00 0.00 H new ATOM 0 HB2 PHE A 746 12.074 -3.331 -1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.948 -3.379 -2.848 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.217 -1.294 0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.887 -1.368 -3.988 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.165 1.161 0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.840 1.088 -4.028 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.973 2.359 -1.922 1.00 0.00 H new ATOM 404 N GLU A 747 8.184 -4.069 -2.420 1.00 0.00 N ATOM 405 CA GLU A 747 6.860 -3.879 -2.991 1.00 0.00 C ATOM 406 C GLU A 747 5.802 -4.079 -1.913 1.00 0.00 C ATOM 407 O GLU A 747 4.887 -3.273 -1.764 1.00 0.00 O ATOM 408 CB GLU A 747 6.628 -4.853 -4.150 1.00 0.00 C ATOM 409 CG GLU A 747 6.474 -4.168 -5.497 1.00 0.00 C ATOM 410 CD GLU A 747 7.155 -4.926 -6.619 1.00 0.00 C ATOM 411 OE1 GLU A 747 7.239 -6.170 -6.529 1.00 0.00 O ATOM 412 OE2 GLU A 747 7.607 -4.278 -7.585 1.00 0.00 O ATOM 0 H GLU A 747 8.717 -4.835 -2.832 1.00 0.00 H new ATOM 0 HA GLU A 747 6.787 -2.863 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 747 7.464 -5.551 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.733 -5.441 -3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 747 5.414 -4.061 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 747 6.890 -3.162 -5.438 1.00 0.00 H new ATOM 419 N GLU A 748 5.953 -5.158 -1.156 1.00 0.00 N ATOM 420 CA GLU A 748 5.026 -5.472 -0.076 1.00 0.00 C ATOM 421 C GLU A 748 5.008 -4.353 0.958 1.00 0.00 C ATOM 422 O GLU A 748 3.952 -3.974 1.464 1.00 0.00 O ATOM 423 CB GLU A 748 5.420 -6.787 0.594 1.00 0.00 C ATOM 424 CG GLU A 748 4.749 -8.008 -0.016 1.00 0.00 C ATOM 425 CD GLU A 748 5.006 -9.273 0.780 1.00 0.00 C ATOM 426 OE1 GLU A 748 5.163 -9.175 2.015 1.00 0.00 O ATOM 427 OE2 GLU A 748 5.052 -10.360 0.168 1.00 0.00 O ATOM 0 H GLU A 748 6.710 -5.832 -1.270 1.00 0.00 H new ATOM 0 HA GLU A 748 4.028 -5.573 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.501 -6.908 0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 748 5.167 -6.735 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 748 3.675 -7.834 -0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 748 5.110 -8.145 -1.035 1.00 0.00 H new ATOM 434 N HIS A 749 6.188 -3.824 1.261 1.00 0.00 N ATOM 435 CA HIS A 749 6.318 -2.743 2.229 1.00 0.00 C ATOM 436 C HIS A 749 5.654 -1.479 1.696 1.00 0.00 C ATOM 437 O HIS A 749 4.854 -0.846 2.383 1.00 0.00 O ATOM 438 CB HIS A 749 7.802 -2.501 2.534 1.00 0.00 C ATOM 439 CG HIS A 749 8.131 -1.109 2.982 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.239 -0.732 4.301 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.397 0.005 2.252 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.562 0.567 4.331 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.669 1.059 3.113 1.00 0.00 N ATOM 0 H HIS A 749 7.070 -4.128 0.849 1.00 0.00 H new ATOM 0 HA HIS A 749 5.815 -3.021 3.155 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.119 -3.201 3.307 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.384 -2.728 1.641 1.00 0.00 H new ATOM 0 HD1 HIS A 749 8.098 -1.335 5.112 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.397 0.062 1.173 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.715 1.137 5.235 1.00 0.00 H new ATOM 451 N VAL A 750 5.982 -1.132 0.459 1.00 0.00 N ATOM 452 CA VAL A 750 5.409 0.043 -0.183 1.00 0.00 C ATOM 453 C VAL A 750 3.888 -0.064 -0.229 1.00 0.00 C ATOM 454 O VAL A 750 3.176 0.862 0.159 1.00 0.00 O ATOM 455 CB VAL A 750 5.950 0.209 -1.616 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.319 1.411 -2.306 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.466 0.330 -1.603 1.00 0.00 C ATOM 0 H VAL A 750 6.643 -1.649 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 750 5.695 0.915 0.406 1.00 0.00 H new ATOM 0 HB VAL A 750 5.679 -0.681 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.720 1.503 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.238 1.276 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.546 2.315 -1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.830 0.447 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.757 1.199 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.899 -0.569 -1.164 1.00 0.00 H new ATOM 467 N GLU A 751 3.402 -1.204 -0.705 1.00 0.00 N ATOM 468 CA GLU A 751 1.967 -1.443 -0.803 1.00 0.00 C ATOM 469 C GLU A 751 1.335 -1.532 0.583 1.00 0.00 C ATOM 470 O GLU A 751 0.143 -1.278 0.747 1.00 0.00 O ATOM 471 CB GLU A 751 1.695 -2.729 -1.585 1.00 0.00 C ATOM 472 CG GLU A 751 2.167 -2.683 -3.033 1.00 0.00 C ATOM 473 CD GLU A 751 1.769 -1.404 -3.744 1.00 0.00 C ATOM 474 OE1 GLU A 751 2.337 -0.341 -3.416 1.00 0.00 O ATOM 475 OE2 GLU A 751 0.890 -1.465 -4.629 1.00 0.00 O ATOM 0 H GLU A 751 3.981 -1.978 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 751 1.519 -0.603 -1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.186 -3.561 -1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.624 -2.933 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 751 3.252 -2.785 -3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 751 1.754 -3.536 -3.572 1.00 0.00 H new ATOM 482 N SER A 752 2.138 -1.890 1.580 1.00 0.00 N ATOM 483 CA SER A 752 1.645 -2.002 2.948 1.00 0.00 C ATOM 484 C SER A 752 1.048 -0.677 3.410 1.00 0.00 C ATOM 485 O SER A 752 0.044 -0.650 4.122 1.00 0.00 O ATOM 486 CB SER A 752 2.776 -2.423 3.890 1.00 0.00 C ATOM 487 OG SER A 752 2.275 -2.747 5.175 1.00 0.00 O ATOM 0 H SER A 752 3.128 -2.107 1.467 1.00 0.00 H new ATOM 0 HA SER A 752 0.866 -2.764 2.970 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.300 -3.283 3.473 1.00 0.00 H new ATOM 0 HB3 SER A 752 3.504 -1.616 3.973 1.00 0.00 H new ATOM 0 HG SER A 752 3.017 -3.014 5.757 1.00 0.00 H new ATOM 493 N HIS A 753 1.674 0.419 2.994 1.00 0.00 N ATOM 494 CA HIS A 753 1.205 1.753 3.358 1.00 0.00 C ATOM 495 C HIS A 753 -0.052 2.130 2.578 1.00 0.00 C ATOM 496 O HIS A 753 -0.840 2.966 3.018 1.00 0.00 O ATOM 497 CB HIS A 753 2.297 2.792 3.097 1.00 0.00 C ATOM 498 CG HIS A 753 3.635 2.406 3.640 1.00 0.00 C ATOM 499 ND1 HIS A 753 4.030 2.637 4.938 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.680 1.790 3.033 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.276 2.167 5.078 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.716 1.642 3.952 1.00 0.00 N ATOM 0 H HIS A 753 2.507 0.411 2.405 1.00 0.00 H new ATOM 0 HA HIS A 753 0.963 1.739 4.421 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.383 2.953 2.022 1.00 0.00 H new ATOM 0 HB3 HIS A 753 1.996 3.742 3.539 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.473 3.086 5.664 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.705 1.466 2.003 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.846 2.212 5.994 1.00 0.00 H new ATOM 510 N TRP A 754 -0.231 1.511 1.415 1.00 0.00 N ATOM 511 CA TRP A 754 -1.389 1.785 0.572 1.00 0.00 C ATOM 512 C TRP A 754 -2.683 1.356 1.256 1.00 0.00 C ATOM 513 O TRP A 754 -2.668 0.557 2.191 1.00 0.00 O ATOM 514 CB TRP A 754 -1.256 1.058 -0.764 1.00 0.00 C ATOM 515 CG TRP A 754 -0.297 1.710 -1.709 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.793 2.463 -1.387 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.346 1.665 -3.137 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.423 2.890 -2.532 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.742 2.412 -3.618 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.207 1.064 -4.051 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.991 2.574 -4.979 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -0.963 1.222 -5.402 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.129 1.972 -5.856 1.00 0.00 C ATOM 0 H TRP A 754 0.412 0.816 1.035 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.426 2.861 0.400 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.932 0.034 -0.580 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.237 1.002 -1.236 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.114 2.690 -0.381 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.262 3.469 -2.566 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.052 0.484 -3.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.833 3.153 -5.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.625 0.760 -6.119 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.294 2.078 -6.918 1.00 0.00 H new ATOM 534 N LYS A 755 -3.801 1.879 0.765 1.00 0.00 N ATOM 535 CA LYS A 755 -5.109 1.538 1.309 1.00 0.00 C ATOM 536 C LYS A 755 -5.616 0.261 0.657 1.00 0.00 C ATOM 537 O LYS A 755 -5.881 0.240 -0.539 1.00 0.00 O ATOM 538 CB LYS A 755 -6.097 2.680 1.071 1.00 0.00 C ATOM 539 CG LYS A 755 -6.024 3.781 2.116 1.00 0.00 C ATOM 540 CD LYS A 755 -6.086 5.160 1.479 1.00 0.00 C ATOM 541 CE LYS A 755 -6.468 6.226 2.494 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.270 6.878 3.093 1.00 0.00 N ATOM 0 H LYS A 755 -3.827 2.542 -0.010 1.00 0.00 H new ATOM 0 HA LYS A 755 -5.017 1.379 2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.909 3.112 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.109 2.275 1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.846 3.668 2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.099 3.683 2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.118 5.403 1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.812 5.154 0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.089 6.981 2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -7.069 5.776 3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -5.573 7.598 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -4.690 6.162 3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -4.709 7.330 2.343 1.00 0.00 H new ATOM 556 N VAL A 756 -5.725 -0.808 1.436 1.00 0.00 N ATOM 557 CA VAL A 756 -6.177 -2.083 0.896 1.00 0.00 C ATOM 558 C VAL A 756 -7.444 -2.582 1.572 1.00 0.00 C ATOM 559 O VAL A 756 -7.567 -2.559 2.797 1.00 0.00 O ATOM 560 CB VAL A 756 -5.085 -3.160 1.022 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.500 -4.437 0.305 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.773 -2.637 0.470 1.00 0.00 C ATOM 0 H VAL A 756 -5.509 -0.818 2.433 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.396 -1.904 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 756 -4.950 -3.397 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.713 -5.184 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.422 -4.818 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.663 -4.224 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -3.006 -3.406 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -3.899 -2.376 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.470 -1.752 1.030 1.00 0.00 H new ATOM 572 N CYS A 757 -8.376 -3.047 0.752 1.00 0.00 N ATOM 573 CA CYS A 757 -9.640 -3.577 1.239 1.00 0.00 C ATOM 574 C CYS A 757 -9.449 -5.005 1.755 1.00 0.00 C ATOM 575 O CYS A 757 -8.858 -5.841 1.073 1.00 0.00 O ATOM 576 CB CYS A 757 -10.681 -3.551 0.120 1.00 0.00 C ATOM 577 SG CYS A 757 -12.336 -4.069 0.632 1.00 0.00 S ATOM 0 H CYS A 757 -8.278 -3.067 -0.263 1.00 0.00 H new ATOM 0 HA CYS A 757 -9.993 -2.955 2.062 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.738 -2.540 -0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.344 -4.199 -0.689 1.00 0.00 H new ATOM 582 N PRO A 758 -9.928 -5.299 2.977 1.00 0.00 N ATOM 583 CA PRO A 758 -9.784 -6.622 3.581 1.00 0.00 C ATOM 584 C PRO A 758 -10.890 -7.597 3.182 1.00 0.00 C ATOM 585 O PRO A 758 -10.825 -8.782 3.509 1.00 0.00 O ATOM 586 CB PRO A 758 -9.865 -6.309 5.072 1.00 0.00 C ATOM 587 CG PRO A 758 -10.793 -5.144 5.159 1.00 0.00 C ATOM 588 CD PRO A 758 -10.629 -4.363 3.877 1.00 0.00 C ATOM 0 HA PRO A 758 -8.866 -7.117 3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.244 -7.161 5.636 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.884 -6.066 5.481 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.824 -5.478 5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.556 -4.524 6.023 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.593 -4.061 3.467 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -10.051 -3.453 4.035 1.00 0.00 H new ATOM 596 N MET A 759 -11.908 -7.100 2.488 1.00 0.00 N ATOM 597 CA MET A 759 -13.019 -7.947 2.069 1.00 0.00 C ATOM 598 C MET A 759 -12.735 -8.624 0.731 1.00 0.00 C ATOM 599 O MET A 759 -13.264 -9.699 0.447 1.00 0.00 O ATOM 600 CB MET A 759 -14.299 -7.119 1.975 1.00 0.00 C ATOM 601 CG MET A 759 -14.684 -6.455 3.287 1.00 0.00 C ATOM 602 SD MET A 759 -16.042 -7.296 4.125 1.00 0.00 S ATOM 603 CE MET A 759 -15.733 -6.821 5.823 1.00 0.00 C ATOM 0 H MET A 759 -11.987 -6.123 2.205 1.00 0.00 H new ATOM 0 HA MET A 759 -13.145 -8.729 2.818 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.172 -6.352 1.211 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.116 -7.762 1.648 1.00 0.00 H new ATOM 0 HG2 MET A 759 -13.816 -6.432 3.946 1.00 0.00 H new ATOM 0 HG3 MET A 759 -14.967 -5.420 3.096 1.00 0.00 H new ATOM 0 HE1 MET A 759 -15.533 -7.711 6.419 1.00 0.00 H new ATOM 0 HE2 MET A 759 -14.870 -6.156 5.864 1.00 0.00 H new ATOM 0 HE3 MET A 759 -16.607 -6.306 6.222 1.00 0.00 H new ATOM 613 N CYS A 760 -11.899 -7.996 -0.089 1.00 0.00 N ATOM 614 CA CYS A 760 -11.553 -8.553 -1.395 1.00 0.00 C ATOM 615 C CYS A 760 -10.040 -8.556 -1.630 1.00 0.00 C ATOM 616 O CYS A 760 -9.537 -9.332 -2.442 1.00 0.00 O ATOM 617 CB CYS A 760 -12.251 -7.768 -2.506 1.00 0.00 C ATOM 618 SG CYS A 760 -11.613 -6.094 -2.733 1.00 0.00 S ATOM 0 H CYS A 760 -11.450 -7.106 0.124 1.00 0.00 H new ATOM 0 HA CYS A 760 -11.895 -9.588 -1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.149 -8.315 -3.443 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.317 -7.713 -2.284 1.00 0.00 H new ATOM 623 N SER A 761 -9.322 -7.685 -0.916 1.00 0.00 N ATOM 624 CA SER A 761 -7.865 -7.581 -1.039 1.00 0.00 C ATOM 625 C SER A 761 -7.466 -6.654 -2.185 1.00 0.00 C ATOM 626 O SER A 761 -6.453 -6.875 -2.848 1.00 0.00 O ATOM 627 CB SER A 761 -7.226 -8.961 -1.235 1.00 0.00 C ATOM 628 OG SER A 761 -6.046 -9.091 -0.463 1.00 0.00 O ATOM 0 H SER A 761 -9.730 -7.037 -0.242 1.00 0.00 H new ATOM 0 HA SER A 761 -7.494 -7.154 -0.107 1.00 0.00 H new ATOM 0 HB2 SER A 761 -7.937 -9.738 -0.952 1.00 0.00 H new ATOM 0 HB3 SER A 761 -6.993 -9.111 -2.289 1.00 0.00 H new ATOM 0 HG SER A 761 -5.659 -9.980 -0.605 1.00 0.00 H new ATOM 634 N GLU A 762 -8.257 -5.607 -2.404 1.00 0.00 N ATOM 635 CA GLU A 762 -7.971 -4.639 -3.460 1.00 0.00 C ATOM 636 C GLU A 762 -6.962 -3.612 -2.969 1.00 0.00 C ATOM 637 O GLU A 762 -6.975 -3.238 -1.797 1.00 0.00 O ATOM 638 CB GLU A 762 -9.255 -3.932 -3.905 1.00 0.00 C ATOM 639 CG GLU A 762 -9.831 -4.479 -5.203 1.00 0.00 C ATOM 640 CD GLU A 762 -10.041 -3.399 -6.247 1.00 0.00 C ATOM 641 OE1 GLU A 762 -9.043 -2.959 -6.856 1.00 0.00 O ATOM 642 OE2 GLU A 762 -11.204 -2.995 -6.458 1.00 0.00 O ATOM 0 H GLU A 762 -9.100 -5.407 -1.865 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.553 -5.174 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -10.003 -4.025 -3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -9.051 -2.868 -4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -9.160 -5.240 -5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -10.782 -4.970 -4.996 1.00 0.00 H new ATOM 649 N GLN A 763 -6.088 -3.156 -3.860 1.00 0.00 N ATOM 650 CA GLN A 763 -5.089 -2.172 -3.475 1.00 0.00 C ATOM 651 C GLN A 763 -5.438 -0.794 -4.022 1.00 0.00 C ATOM 652 O GLN A 763 -5.734 -0.632 -5.206 1.00 0.00 O ATOM 653 CB GLN A 763 -3.709 -2.598 -3.980 1.00 0.00 C ATOM 654 CG GLN A 763 -2.793 -3.112 -2.883 1.00 0.00 C ATOM 655 CD GLN A 763 -1.389 -2.548 -2.985 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.480 -3.206 -3.491 1.00 0.00 O ATOM 657 NE2 GLN A 763 -1.207 -1.322 -2.507 1.00 0.00 N ATOM 0 H GLN A 763 -6.052 -3.447 -4.837 1.00 0.00 H new ATOM 0 HA GLN A 763 -5.073 -2.114 -2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.831 -3.376 -4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.233 -1.749 -4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.215 -2.854 -1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -2.748 -4.200 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.990 -0.813 -2.096 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.284 -0.889 -2.551 1.00 0.00 H new ATOM 666 N PHE A 764 -5.384 0.193 -3.140 1.00 0.00 N ATOM 667 CA PHE A 764 -5.673 1.575 -3.497 1.00 0.00 C ATOM 668 C PHE A 764 -4.458 2.468 -3.244 1.00 0.00 C ATOM 669 O PHE A 764 -3.988 2.570 -2.108 1.00 0.00 O ATOM 670 CB PHE A 764 -6.878 2.083 -2.704 1.00 0.00 C ATOM 671 CG PHE A 764 -8.133 1.298 -2.960 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.414 0.156 -2.226 1.00 0.00 C ATOM 673 CD2 PHE A 764 -9.030 1.696 -3.938 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.564 -0.571 -2.461 1.00 0.00 C ATOM 675 CE2 PHE A 764 -10.182 0.973 -4.178 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.449 -0.162 -3.438 1.00 0.00 C ATOM 0 H PHE A 764 -5.139 0.060 -2.159 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.908 1.612 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.645 2.046 -1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.055 3.129 -2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.725 -0.169 -1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -8.826 2.583 -4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.771 -1.458 -1.881 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -10.873 1.295 -4.943 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.349 -0.729 -3.624 1.00 0.00 H new ATOM 686 N PRO A 765 -3.927 3.134 -4.286 1.00 0.00 N ATOM 687 CA PRO A 765 -2.765 4.018 -4.138 1.00 0.00 C ATOM 688 C PRO A 765 -3.025 5.141 -3.137 1.00 0.00 C ATOM 689 O PRO A 765 -4.175 5.485 -2.863 1.00 0.00 O ATOM 690 CB PRO A 765 -2.564 4.591 -5.545 1.00 0.00 C ATOM 691 CG PRO A 765 -3.232 3.617 -6.450 1.00 0.00 C ATOM 692 CD PRO A 765 -4.406 3.085 -5.678 1.00 0.00 C ATOM 0 HA PRO A 765 -1.893 3.486 -3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -3.007 5.583 -5.635 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.505 4.691 -5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.556 4.098 -7.373 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.552 2.813 -6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.296 3.697 -5.822 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.664 2.071 -5.982 1.00 0.00 H new ATOM 700 N PRO A 766 -1.956 5.727 -2.573 1.00 0.00 N ATOM 701 CA PRO A 766 -2.077 6.814 -1.594 1.00 0.00 C ATOM 702 C PRO A 766 -2.739 8.055 -2.184 1.00 0.00 C ATOM 703 O PRO A 766 -3.330 8.857 -1.462 1.00 0.00 O ATOM 704 CB PRO A 766 -0.625 7.116 -1.203 1.00 0.00 C ATOM 705 CG PRO A 766 0.199 6.571 -2.318 1.00 0.00 C ATOM 706 CD PRO A 766 -0.550 5.380 -2.840 1.00 0.00 C ATOM 0 HA PRO A 766 -2.706 6.529 -0.750 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.464 8.187 -1.081 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.366 6.645 -0.255 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.340 7.317 -3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 766 1.191 6.286 -1.967 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.368 5.224 -3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.257 4.463 -2.328 1.00 0.00 H new ATOM 714 N ASP A 767 -2.640 8.204 -3.501 1.00 0.00 N ATOM 715 CA ASP A 767 -3.234 9.347 -4.185 1.00 0.00 C ATOM 716 C ASP A 767 -4.724 9.123 -4.440 1.00 0.00 C ATOM 717 O ASP A 767 -5.446 10.053 -4.803 1.00 0.00 O ATOM 718 CB ASP A 767 -2.512 9.604 -5.509 1.00 0.00 C ATOM 719 CG ASP A 767 -1.377 10.599 -5.364 1.00 0.00 C ATOM 720 OD1 ASP A 767 -1.653 11.817 -5.352 1.00 0.00 O ATOM 721 OD2 ASP A 767 -0.212 10.160 -5.263 1.00 0.00 O ATOM 0 H ASP A 767 -2.155 7.549 -4.115 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.124 10.219 -3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -2.120 8.663 -5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.226 9.976 -6.243 1.00 0.00 H new ATOM 726 N TYR A 768 -5.181 7.888 -4.247 1.00 0.00 N ATOM 727 CA TYR A 768 -6.583 7.552 -4.455 1.00 0.00 C ATOM 728 C TYR A 768 -7.480 8.342 -3.508 1.00 0.00 C ATOM 729 O TYR A 768 -7.011 8.905 -2.519 1.00 0.00 O ATOM 730 CB TYR A 768 -6.805 6.052 -4.249 1.00 0.00 C ATOM 731 CG TYR A 768 -7.831 5.456 -5.186 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.554 5.292 -6.538 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.076 5.057 -4.719 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.490 4.748 -7.397 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.017 4.511 -5.571 1.00 0.00 C ATOM 736 CZ TYR A 768 -9.719 4.359 -6.908 1.00 0.00 C ATOM 737 OH TYR A 768 -10.654 3.816 -7.760 1.00 0.00 O ATOM 0 H TYR A 768 -4.600 7.105 -3.947 1.00 0.00 H new ATOM 0 HA TYR A 768 -6.844 7.816 -5.480 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -5.857 5.531 -4.384 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.121 5.878 -3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.592 5.595 -6.924 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.313 5.175 -3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.260 4.628 -8.445 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -10.981 4.205 -5.191 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.359 3.379 -7.237 1.00 0.00 H new ATOM 747 N ASP A 769 -8.772 8.377 -3.817 1.00 0.00 N ATOM 748 CA ASP A 769 -9.735 9.094 -2.991 1.00 0.00 C ATOM 749 C ASP A 769 -10.318 8.176 -1.922 1.00 0.00 C ATOM 750 O ASP A 769 -10.872 7.121 -2.230 1.00 0.00 O ATOM 751 CB ASP A 769 -10.857 9.667 -3.860 1.00 0.00 C ATOM 752 CG ASP A 769 -10.750 11.171 -4.025 1.00 0.00 C ATOM 753 OD1 ASP A 769 -10.523 11.865 -3.011 1.00 0.00 O ATOM 754 OD2 ASP A 769 -10.892 11.655 -5.167 1.00 0.00 O ATOM 0 H ASP A 769 -9.176 7.917 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 769 -9.216 9.915 -2.496 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -10.830 9.194 -4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.820 9.421 -3.414 1.00 0.00 H new ATOM 759 N GLN A 770 -10.186 8.582 -0.662 1.00 0.00 N ATOM 760 CA GLN A 770 -10.698 7.793 0.452 1.00 0.00 C ATOM 761 C GLN A 770 -12.192 7.526 0.291 1.00 0.00 C ATOM 762 O GLN A 770 -12.690 6.474 0.695 1.00 0.00 O ATOM 763 CB GLN A 770 -10.436 8.511 1.777 1.00 0.00 C ATOM 764 CG GLN A 770 -10.918 7.739 2.995 1.00 0.00 C ATOM 765 CD GLN A 770 -10.090 6.496 3.262 1.00 0.00 C ATOM 766 OE1 GLN A 770 -9.211 6.141 2.476 1.00 0.00 O ATOM 767 NE2 GLN A 770 -10.370 5.827 4.374 1.00 0.00 N ATOM 0 H GLN A 770 -9.729 9.452 -0.388 1.00 0.00 H new ATOM 0 HA GLN A 770 -10.175 6.836 0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -9.366 8.696 1.875 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -10.927 9.484 1.756 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -10.884 8.389 3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -11.960 7.453 2.851 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -11.107 6.158 4.996 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -9.848 4.982 4.606 1.00 0.00 H new ATOM 776 N GLN A 771 -12.900 8.480 -0.304 1.00 0.00 N ATOM 777 CA GLN A 771 -14.336 8.340 -0.520 1.00 0.00 C ATOM 778 C GLN A 771 -14.633 7.111 -1.370 1.00 0.00 C ATOM 779 O GLN A 771 -15.527 6.323 -1.054 1.00 0.00 O ATOM 780 CB GLN A 771 -14.894 9.592 -1.200 1.00 0.00 C ATOM 781 CG GLN A 771 -15.206 10.723 -0.232 1.00 0.00 C ATOM 782 CD GLN A 771 -16.451 10.459 0.591 1.00 0.00 C ATOM 783 OE1 GLN A 771 -17.551 10.872 0.224 1.00 0.00 O ATOM 784 NE2 GLN A 771 -16.284 9.766 1.713 1.00 0.00 N ATOM 0 H GLN A 771 -12.505 9.356 -0.645 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.818 8.218 0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -14.175 9.945 -1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -15.802 9.327 -1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -14.357 10.869 0.436 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -15.334 11.650 -0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -15.354 9.443 1.979 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -17.086 9.557 2.308 1.00 0.00 H new ATOM 793 N VAL A 772 -13.871 6.947 -2.448 1.00 0.00 N ATOM 794 CA VAL A 772 -14.045 5.810 -3.341 1.00 0.00 C ATOM 795 C VAL A 772 -13.653 4.514 -2.643 1.00 0.00 C ATOM 796 O VAL A 772 -14.302 3.480 -2.811 1.00 0.00 O ATOM 797 CB VAL A 772 -13.205 5.966 -4.623 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.514 4.846 -5.606 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.448 7.325 -5.262 1.00 0.00 C ATOM 0 H VAL A 772 -13.127 7.589 -2.723 1.00 0.00 H new ATOM 0 HA VAL A 772 -15.099 5.774 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.151 5.901 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -12.911 4.974 -6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.282 3.885 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.571 4.876 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.845 7.415 -6.166 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.503 7.423 -5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -13.170 8.112 -4.561 1.00 0.00 H new ATOM 809 N PHE A 773 -12.588 4.578 -1.854 1.00 0.00 N ATOM 810 CA PHE A 773 -12.115 3.412 -1.125 1.00 0.00 C ATOM 811 C PHE A 773 -13.116 3.003 -0.051 1.00 0.00 C ATOM 812 O PHE A 773 -13.509 1.840 0.034 1.00 0.00 O ATOM 813 CB PHE A 773 -10.754 3.695 -0.484 1.00 0.00 C ATOM 814 CG PHE A 773 -10.310 2.617 0.463 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.324 1.287 0.072 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.890 2.932 1.743 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.925 0.292 0.941 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.488 1.940 2.618 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.506 0.619 2.217 1.00 0.00 C ATOM 0 H PHE A 773 -12.038 5.424 -1.704 1.00 0.00 H new ATOM 0 HA PHE A 773 -12.009 2.592 -1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -10.007 3.810 -1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.802 4.643 0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.651 1.027 -0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.876 3.964 2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.940 -0.741 0.625 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.160 2.198 3.614 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.193 -0.158 2.899 1.00 0.00 H new ATOM 829 N GLU A 774 -13.524 3.969 0.768 1.00 0.00 N ATOM 830 CA GLU A 774 -14.475 3.710 1.841 1.00 0.00 C ATOM 831 C GLU A 774 -15.746 3.080 1.290 1.00 0.00 C ATOM 832 O GLU A 774 -16.265 2.114 1.848 1.00 0.00 O ATOM 833 CB GLU A 774 -14.810 5.003 2.584 1.00 0.00 C ATOM 834 CG GLU A 774 -13.889 5.284 3.760 1.00 0.00 C ATOM 835 CD GLU A 774 -14.314 4.555 5.019 1.00 0.00 C ATOM 836 OE1 GLU A 774 -14.760 3.393 4.910 1.00 0.00 O ATOM 837 OE2 GLU A 774 -14.202 5.145 6.114 1.00 0.00 O ATOM 0 H GLU A 774 -13.210 4.938 0.708 1.00 0.00 H new ATOM 0 HA GLU A 774 -14.016 3.013 2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.758 5.838 1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.838 4.950 2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -12.872 4.989 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -13.870 6.356 3.954 1.00 0.00 H new ATOM 844 N ARG A 775 -16.237 3.625 0.184 1.00 0.00 N ATOM 845 CA ARG A 775 -17.439 3.104 -0.445 1.00 0.00 C ATOM 846 C ARG A 775 -17.202 1.677 -0.936 1.00 0.00 C ATOM 847 O ARG A 775 -18.077 0.819 -0.825 1.00 0.00 O ATOM 848 CB ARG A 775 -17.890 4.024 -1.591 1.00 0.00 C ATOM 849 CG ARG A 775 -17.148 3.822 -2.905 1.00 0.00 C ATOM 850 CD ARG A 775 -17.976 4.298 -4.088 1.00 0.00 C ATOM 851 NE ARG A 775 -18.649 3.193 -4.764 1.00 0.00 N ATOM 852 CZ ARG A 775 -18.041 2.356 -5.604 1.00 0.00 C ATOM 853 NH1 ARG A 775 -16.749 2.499 -5.873 1.00 0.00 N ATOM 854 NH2 ARG A 775 -18.726 1.376 -6.175 1.00 0.00 N ATOM 0 H ARG A 775 -15.821 4.425 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.241 3.077 0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -18.955 3.869 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.766 5.060 -1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -16.203 4.365 -2.878 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -16.906 2.767 -3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -18.718 5.019 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -17.331 4.818 -4.797 1.00 0.00 H new ATOM 0 HE ARG A 775 -19.643 3.053 -4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -16.217 3.252 -5.436 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -16.288 1.856 -6.517 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -19.719 1.262 -5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -18.260 0.736 -6.818 1.00 0.00 H new ATOM 868 N HIS A 776 -16.009 1.433 -1.473 1.00 0.00 N ATOM 869 CA HIS A 776 -15.652 0.111 -1.974 1.00 0.00 C ATOM 870 C HIS A 776 -15.590 -0.899 -0.831 1.00 0.00 C ATOM 871 O HIS A 776 -16.155 -1.988 -0.924 1.00 0.00 O ATOM 872 CB HIS A 776 -14.309 0.172 -2.706 1.00 0.00 C ATOM 873 CG HIS A 776 -13.609 -1.148 -2.807 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.682 -1.974 -3.906 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.803 -1.782 -1.915 1.00 0.00 C ATOM 876 CE1 HIS A 776 -12.937 -3.058 -3.654 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.381 -2.987 -2.462 1.00 0.00 N ATOM 0 H HIS A 776 -15.275 2.134 -1.572 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.421 -0.214 -2.675 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.472 0.563 -3.710 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.658 0.878 -2.191 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.209 -1.793 -4.760 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.534 -1.409 -0.938 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.809 -3.883 -4.339 1.00 0.00 H new ATOM 885 N VAL A 777 -14.907 -0.536 0.251 1.00 0.00 N ATOM 886 CA VAL A 777 -14.802 -1.429 1.400 1.00 0.00 C ATOM 887 C VAL A 777 -16.171 -1.602 2.040 1.00 0.00 C ATOM 888 O VAL A 777 -16.559 -2.706 2.422 1.00 0.00 O ATOM 889 CB VAL A 777 -13.810 -0.923 2.468 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.179 -2.095 3.199 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.735 -0.039 1.858 1.00 0.00 C ATOM 0 H VAL A 777 -14.425 0.357 0.356 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.423 -2.380 1.025 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.370 -0.319 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.481 -1.723 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -13.958 -2.682 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.644 -2.723 2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -12.055 0.299 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.178 -0.606 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.200 0.825 1.384 1.00 0.00 H new ATOM 901 N GLN A 778 -16.908 -0.498 2.131 1.00 0.00 N ATOM 902 CA GLN A 778 -18.249 -0.515 2.698 1.00 0.00 C ATOM 903 C GLN A 778 -19.163 -1.376 1.838 1.00 0.00 C ATOM 904 O GLN A 778 -20.085 -2.021 2.338 1.00 0.00 O ATOM 905 CB GLN A 778 -18.807 0.907 2.794 1.00 0.00 C ATOM 906 CG GLN A 778 -18.214 1.721 3.931 1.00 0.00 C ATOM 907 CD GLN A 778 -18.597 1.181 5.292 1.00 0.00 C ATOM 908 OE1 GLN A 778 -19.764 0.884 5.551 1.00 0.00 O ATOM 909 NE2 GLN A 778 -17.613 1.051 6.174 1.00 0.00 N ATOM 0 H GLN A 778 -16.596 0.421 1.818 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.199 -0.937 3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.621 1.425 1.853 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.888 0.856 2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.128 1.729 3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.549 2.755 3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -16.660 1.309 5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -17.810 0.693 7.109 1.00 0.00 H new ATOM 918 N THR A 779 -18.886 -1.388 0.537 1.00 0.00 N ATOM 919 CA THR A 779 -19.664 -2.177 -0.407 1.00 0.00 C ATOM 920 C THR A 779 -19.607 -3.656 -0.032 1.00 0.00 C ATOM 921 O THR A 779 -20.516 -4.424 -0.343 1.00 0.00 O ATOM 922 CB THR A 779 -19.142 -1.950 -1.831 1.00 0.00 C ATOM 923 OG1 THR A 779 -19.593 -0.705 -2.334 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.558 -3.015 -2.824 1.00 0.00 C ATOM 0 H THR A 779 -18.125 -0.857 0.113 1.00 0.00 H new ATOM 0 HA THR A 779 -20.706 -1.859 -0.368 1.00 0.00 H new ATOM 0 HB THR A 779 -18.057 -1.982 -1.735 1.00 0.00 H new ATOM 0 HG1 THR A 779 -19.316 0.013 -1.727 1.00 0.00 H new ATOM 0 HG21 THR A 779 -19.147 -2.778 -3.805 1.00 0.00 H new ATOM 0 HG22 THR A 779 -19.181 -3.984 -2.497 1.00 0.00 H new ATOM 0 HG23 THR A 779 -20.646 -3.050 -2.885 1.00 0.00 H new ATOM 932 N HIS A 780 -18.532 -4.041 0.648 1.00 0.00 N ATOM 933 CA HIS A 780 -18.349 -5.418 1.082 1.00 0.00 C ATOM 934 C HIS A 780 -19.038 -5.659 2.422 1.00 0.00 C ATOM 935 O HIS A 780 -19.478 -6.770 2.715 1.00 0.00 O ATOM 936 CB HIS A 780 -16.860 -5.736 1.202 1.00 0.00 C ATOM 937 CG HIS A 780 -16.126 -5.673 -0.100 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.211 -6.642 -1.074 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.277 -4.728 -0.583 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.429 -6.267 -2.095 1.00 0.00 C ATOM 941 NE2 HIS A 780 -14.842 -5.113 -1.847 1.00 0.00 N ATOM 0 H HIS A 780 -17.772 -3.414 0.911 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.799 -6.074 0.337 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.403 -5.036 1.901 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.743 -6.733 1.627 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -16.770 -7.494 -1.027 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -14.987 -3.824 -0.068 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.297 -6.836 -3.003 1.00 0.00 H new ATOM 949 N PHE A 781 -19.125 -4.607 3.232 1.00 0.00 N ATOM 950 CA PHE A 781 -19.757 -4.701 4.543 1.00 0.00 C ATOM 951 C PHE A 781 -21.267 -4.868 4.410 1.00 0.00 C ATOM 952 O PHE A 781 -21.916 -5.452 5.279 1.00 0.00 O ATOM 953 CB PHE A 781 -19.443 -3.452 5.375 1.00 0.00 C ATOM 954 CG PHE A 781 -17.978 -3.119 5.457 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.008 -4.049 5.109 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.571 -1.868 5.889 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.665 -3.735 5.189 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.230 -1.547 5.971 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.276 -2.482 5.621 1.00 0.00 C ATOM 0 H PHE A 781 -18.766 -3.680 3.003 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.355 -5.579 5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -19.974 -2.601 4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -19.829 -3.595 6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.307 -5.030 4.771 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.312 -1.133 6.166 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -14.921 -4.468 4.914 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -15.928 -0.566 6.308 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.227 -2.234 5.685 1.00 0.00 H new ATOM 969 N ASP A 782 -21.823 -4.352 3.319 1.00 0.00 N ATOM 970 CA ASP A 782 -23.258 -4.447 3.077 1.00 0.00 C ATOM 971 C ASP A 782 -23.579 -5.545 2.064 1.00 0.00 C ATOM 972 O ASP A 782 -24.688 -5.606 1.535 1.00 0.00 O ATOM 973 CB ASP A 782 -23.801 -3.105 2.581 1.00 0.00 C ATOM 974 CG ASP A 782 -24.068 -2.136 3.717 1.00 0.00 C ATOM 975 OD1 ASP A 782 -24.823 -2.500 4.643 1.00 0.00 O ATOM 976 OD2 ASP A 782 -23.523 -1.013 3.680 1.00 0.00 O ATOM 0 H ASP A 782 -21.303 -3.865 2.589 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.740 -4.704 4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -23.087 -2.661 1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -24.723 -3.272 2.025 1.00 0.00 H new ATOM 981 N GLN A 783 -22.603 -6.413 1.797 1.00 0.00 N ATOM 982 CA GLN A 783 -22.789 -7.507 0.848 1.00 0.00 C ATOM 983 C GLN A 783 -23.264 -6.986 -0.506 1.00 0.00 C ATOM 984 O GLN A 783 -24.442 -6.680 -0.686 1.00 0.00 O ATOM 985 CB GLN A 783 -23.793 -8.521 1.401 1.00 0.00 C ATOM 986 CG GLN A 783 -23.385 -9.968 1.170 1.00 0.00 C ATOM 987 CD GLN A 783 -23.378 -10.785 2.447 1.00 0.00 C ATOM 988 OE1 GLN A 783 -23.273 -10.240 3.545 1.00 0.00 O ATOM 989 NE2 GLN A 783 -23.490 -12.102 2.309 1.00 0.00 N ATOM 0 H GLN A 783 -21.678 -6.379 2.225 1.00 0.00 H new ATOM 0 HA GLN A 783 -21.826 -7.998 0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 783 -23.915 -8.353 2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 783 -24.765 -8.348 0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 783 -24.070 -10.425 0.455 1.00 0.00 H new ATOM 0 HG3 GLN A 783 -22.392 -9.994 0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 783 -23.575 -12.512 1.379 1.00 0.00 H new ATOM 0 HE22 GLN A 783 -23.491 -12.703 3.133 1.00 0.00 H new ATOM 998 N ASN A 784 -22.338 -6.890 -1.455 1.00 0.00 N ATOM 999 CA ASN A 784 -22.662 -6.408 -2.792 1.00 0.00 C ATOM 1000 C ASN A 784 -22.037 -7.299 -3.860 1.00 0.00 C ATOM 1001 O ASN A 784 -22.790 -7.817 -4.711 1.00 0.00 O ATOM 1002 CB ASN A 784 -22.179 -4.967 -2.967 1.00 0.00 C ATOM 1003 CG ASN A 784 -23.119 -3.960 -2.334 1.00 0.00 C ATOM 1004 OD1 ASN A 784 -23.392 -4.018 -1.135 1.00 0.00 O ATOM 1005 ND2 ASN A 784 -23.620 -3.029 -3.139 1.00 0.00 N ATOM 1006 OXT ASN A 784 -20.801 -7.472 -3.836 1.00 0.00 O ATOM 0 H ASN A 784 -21.358 -7.140 -1.322 1.00 0.00 H new ATOM 0 HA ASN A 784 -23.745 -6.439 -2.909 1.00 0.00 H new ATOM 0 HB2 ASN A 784 -21.188 -4.863 -2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 784 -22.078 -4.747 -4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 784 -24.258 -2.325 -2.769 1.00 0.00 H new ATOM 0 HD22 ASN A 784 -23.366 -3.019 -4.127 1.00 0.00 H new TER 1013 ASN A 784 HETATM 1014 ZN ZN A 785 7.333 2.589 3.202 1.00 0.00 ZN HETATM 1015 ZN ZN A 786 -12.931 -4.642 -1.445 1.00 0.00 ZN