USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 766 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 732 LYS NZ :NH3+ 157:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 816 GLN : amide:sc= -2.13! C(o=-0.9!,f=-7.5!) USER MOD Set 2.1: A 786 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 787 THR OG1 : rot 180:sc= -0.227 USER MOD Set 3.1: A 748 GLN : amide:sc= 0 X(o=-0.29,f=-0.76) USER MOD Set 3.2: A 776 ASN : amide:sc= -0.292! X(o=-0.29!,f=-0.12) USER MOD Set 4.1: A 739 SER OG : rot -40:sc= 0.418 USER MOD Set 4.2: A 782 THR OG1 : rot 106:sc= 2.79 USER MOD Set 5.1: A 722 SER OG : rot -149:sc= -0.35 USER MOD Set 5.2: A 724 SER OG : rot 180:sc= 0.349 USER MOD Set 5.3: A 810 GLN : amide:sc= 0.597 X(o=0.6,f=0.4) USER MOD Single : A 720 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 726 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.13) USER MOD Single : A 728 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 729 HIS : no HD1:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 734 CYS SG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 740 SER OG : rot 42:sc= 0.0962 USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 752 THR OG1 : rot 70:sc= -0.0694 USER MOD Single : A 754 THR OG1 : rot 180:sc= 0 USER MOD Single : A 755 TYR OH : rot -75:sc= 0.683 USER MOD Single : A 760 THR OG1 : rot 17:sc= 0.532! USER MOD Single : A 766 LYS NZ :NH3+ 146:sc= -0.338 (180deg=-1.28) USER MOD Single : A 767 THR OG1 : rot -34:sc= 1.26 USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 774 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 775 THR OG1 : rot 180:sc= 0 USER MOD Single : A 778 TYR OH : rot 180:sc= 0 USER MOD Single : A 781 LYS NZ :NH3+ 167:sc=-0.00892 (180deg=-0.151) USER MOD Single : A 791 TYR OH : rot 180:sc= 0 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 797 SER OG : rot 31:sc= 1.21 USER MOD Single : A 799 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 801 SER OG : rot -37:sc= 0.941 USER MOD Single : A 802 THR OG1 : rot -38:sc= 0.276 USER MOD Single : A 804 CYS SG : rot 180:sc= 0 USER MOD Single : A 809 SER OG : rot 180:sc= 0 USER MOD Single : A 814 LYS NZ :NH3+ 155:sc= 0.843 (180deg=0.158) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 720 -16.421 2.163 -6.638 1.00 0.00 N ATOM 42 CA LYS A 720 -15.336 1.210 -6.663 1.00 0.00 C ATOM 43 C LYS A 720 -14.392 1.461 -5.501 1.00 0.00 C ATOM 44 O LYS A 720 -13.746 2.506 -5.429 1.00 0.00 O ATOM 45 CB LYS A 720 -14.569 1.274 -7.980 1.00 0.00 C ATOM 46 CG LYS A 720 -15.391 0.867 -9.193 1.00 0.00 C ATOM 47 CD LYS A 720 -14.570 0.931 -10.474 1.00 0.00 C ATOM 48 CE LYS A 720 -13.371 -0.007 -10.425 1.00 0.00 C ATOM 49 NZ LYS A 720 -12.565 0.053 -11.672 1.00 0.00 N ATOM 0 HA LYS A 720 -15.766 0.213 -6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -14.202 2.290 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -13.695 0.626 -7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -15.770 -0.145 -9.053 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -16.258 1.522 -9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -15.201 0.670 -11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -14.226 1.953 -10.634 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -12.742 0.253 -9.574 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -13.716 -1.028 -10.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -11.759 -0.600 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -13.158 -0.220 -12.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -12.213 1.022 -11.812 1.00 0.00 H new ATOM 63 N PRO A 721 -14.296 0.504 -4.581 1.00 0.00 N ATOM 64 CA PRO A 721 -13.430 0.616 -3.427 1.00 0.00 C ATOM 65 C PRO A 721 -12.017 0.196 -3.778 1.00 0.00 C ATOM 66 O PRO A 721 -11.811 -0.796 -4.482 1.00 0.00 O ATOM 67 CB PRO A 721 -14.060 -0.332 -2.418 1.00 0.00 C ATOM 68 CG PRO A 721 -14.871 -1.310 -3.216 1.00 0.00 C ATOM 69 CD PRO A 721 -14.989 -0.785 -4.620 1.00 0.00 C ATOM 0 HA PRO A 721 -13.347 1.634 -3.046 1.00 0.00 H new ATOM 0 HB2 PRO A 721 -13.295 -0.845 -1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 721 -14.689 0.211 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 721 -14.394 -2.290 -3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 721 -15.859 -1.436 -2.773 1.00 0.00 H new ATOM 0 HD2 PRO A 721 -14.529 -1.463 -5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 721 -16.032 -0.668 -4.915 1.00 0.00 H new ATOM 77 N SER A 722 -11.047 0.943 -3.292 1.00 0.00 N ATOM 78 CA SER A 722 -9.690 0.806 -3.776 1.00 0.00 C ATOM 79 C SER A 722 -8.754 1.717 -2.986 1.00 0.00 C ATOM 80 O SER A 722 -9.002 1.989 -1.813 1.00 0.00 O ATOM 81 CB SER A 722 -9.695 1.153 -5.266 1.00 0.00 C ATOM 82 OG SER A 722 -10.307 2.415 -5.485 1.00 0.00 O ATOM 0 H SER A 722 -11.173 1.648 -2.566 1.00 0.00 H new ATOM 0 HA SER A 722 -9.326 -0.213 -3.641 1.00 0.00 H new ATOM 0 HB2 SER A 722 -8.673 1.168 -5.644 1.00 0.00 H new ATOM 0 HB3 SER A 722 -10.229 0.383 -5.822 1.00 0.00 H new ATOM 0 HG SER A 722 -10.743 2.419 -6.363 1.00 0.00 H new ATOM 88 N ALA A 723 -7.678 2.179 -3.611 1.00 0.00 N ATOM 89 CA ALA A 723 -6.733 3.047 -2.945 1.00 0.00 C ATOM 90 C ALA A 723 -5.987 3.897 -3.960 1.00 0.00 C ATOM 91 O ALA A 723 -5.781 3.471 -5.091 1.00 0.00 O ATOM 92 CB ALA A 723 -5.761 2.219 -2.128 1.00 0.00 C ATOM 0 H ALA A 723 -7.444 1.963 -4.580 1.00 0.00 H new ATOM 0 HA ALA A 723 -7.276 3.714 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -5.051 2.879 -1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -6.310 1.645 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -5.222 1.537 -2.786 1.00 0.00 H new ATOM 98 N SER A 724 -5.592 5.094 -3.566 1.00 0.00 N ATOM 99 CA SER A 724 -4.839 5.965 -4.448 1.00 0.00 C ATOM 100 C SER A 724 -3.751 6.665 -3.649 1.00 0.00 C ATOM 101 O SER A 724 -4.016 7.637 -2.937 1.00 0.00 O ATOM 102 CB SER A 724 -5.769 6.989 -5.101 1.00 0.00 C ATOM 103 OG SER A 724 -6.882 6.352 -5.712 1.00 0.00 O ATOM 0 H SER A 724 -5.780 5.484 -2.643 1.00 0.00 H new ATOM 0 HA SER A 724 -4.378 5.373 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 724 -6.119 7.698 -4.351 1.00 0.00 H new ATOM 0 HB3 SER A 724 -5.218 7.561 -5.848 1.00 0.00 H new ATOM 0 HG SER A 724 -7.462 7.028 -6.121 1.00 0.00 H new ATOM 109 N LEU A 725 -2.537 6.141 -3.728 1.00 0.00 N ATOM 110 CA LEU A 725 -1.445 6.645 -2.955 1.00 0.00 C ATOM 111 C LEU A 725 -1.152 8.098 -3.245 1.00 0.00 C ATOM 112 O LEU A 725 -1.238 8.574 -4.378 1.00 0.00 O ATOM 113 CB LEU A 725 -0.214 5.788 -3.174 1.00 0.00 C ATOM 114 CG LEU A 725 -0.266 4.417 -2.501 1.00 0.00 C ATOM 115 CD1 LEU A 725 -1.508 3.662 -2.883 1.00 0.00 C ATOM 116 CD2 LEU A 725 0.964 3.626 -2.842 1.00 0.00 C ATOM 0 H LEU A 725 -2.296 5.356 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 725 -1.735 6.592 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 725 -0.071 5.647 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.658 6.327 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 725 -0.297 4.571 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 725 -1.511 2.692 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 725 -2.387 4.229 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 725 -1.528 3.516 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 725 0.916 2.651 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 725 1.022 3.491 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 725 1.848 4.161 -2.495 1.00 0.00 H new ATOM 128 N LYS A 726 -0.812 8.779 -2.181 1.00 0.00 N ATOM 129 CA LYS A 726 -0.555 10.211 -2.206 1.00 0.00 C ATOM 130 C LYS A 726 0.920 10.478 -2.459 1.00 0.00 C ATOM 131 O LYS A 726 1.309 11.591 -2.808 1.00 0.00 O ATOM 132 CB LYS A 726 -0.979 10.844 -0.884 1.00 0.00 C ATOM 133 CG LYS A 726 -2.369 10.430 -0.444 1.00 0.00 C ATOM 134 CD LYS A 726 -2.888 11.296 0.690 1.00 0.00 C ATOM 135 CE LYS A 726 -3.164 12.712 0.217 1.00 0.00 C ATOM 136 NZ LYS A 726 -3.714 13.567 1.304 1.00 0.00 N ATOM 0 H LYS A 726 -0.702 8.358 -1.259 1.00 0.00 H new ATOM 0 HA LYS A 726 -1.136 10.655 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 726 -0.263 10.569 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 726 -0.943 11.929 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 726 -3.052 10.495 -1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 726 -2.353 9.388 -0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 726 -3.801 10.860 1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 726 -2.158 11.316 1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 726 -2.242 13.154 -0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 726 -3.868 12.685 -0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 -3.514 14.566 1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 -4.742 13.426 1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 -3.271 13.307 2.208 1.00 0.00 H new ATOM 150 N LEU A 727 1.738 9.449 -2.267 1.00 0.00 N ATOM 151 CA LEU A 727 3.170 9.560 -2.503 1.00 0.00 C ATOM 152 C LEU A 727 3.445 9.680 -3.999 1.00 0.00 C ATOM 153 O LEU A 727 2.985 8.856 -4.790 1.00 0.00 O ATOM 154 CB LEU A 727 3.909 8.351 -1.920 1.00 0.00 C ATOM 155 CG LEU A 727 5.407 8.300 -2.218 1.00 0.00 C ATOM 156 CD1 LEU A 727 6.101 9.545 -1.694 1.00 0.00 C ATOM 157 CD2 LEU A 727 6.021 7.053 -1.615 1.00 0.00 C ATOM 0 H LEU A 727 1.433 8.529 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 727 3.536 10.457 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 727 3.769 8.346 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 727 3.447 7.442 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 727 5.543 8.265 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 727 7.167 9.488 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 727 5.677 10.427 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 727 5.959 9.614 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 727 7.088 7.030 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 727 5.873 7.060 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 727 5.544 6.170 -2.040 1.00 0.00 H new ATOM 169 N HIS A 728 4.190 10.710 -4.384 1.00 0.00 N ATOM 170 CA HIS A 728 4.418 10.997 -5.794 1.00 0.00 C ATOM 171 C HIS A 728 5.894 10.938 -6.168 1.00 0.00 C ATOM 172 O HIS A 728 6.335 11.642 -7.074 1.00 0.00 O ATOM 173 CB HIS A 728 3.859 12.375 -6.153 1.00 0.00 C ATOM 174 CG HIS A 728 2.367 12.455 -6.094 1.00 0.00 C ATOM 175 ND1 HIS A 728 1.692 13.373 -5.320 1.00 0.00 N ATOM 176 CD2 HIS A 728 1.415 11.730 -6.728 1.00 0.00 C ATOM 177 CE1 HIS A 728 0.393 13.207 -5.476 1.00 0.00 C ATOM 178 NE2 HIS A 728 0.197 12.217 -6.327 1.00 0.00 N ATOM 0 H HIS A 728 4.645 11.358 -3.741 1.00 0.00 H new ATOM 0 HA HIS A 728 3.899 10.224 -6.361 1.00 0.00 H new ATOM 0 HB2 HIS A 728 4.280 13.116 -5.474 1.00 0.00 H new ATOM 0 HB3 HIS A 728 4.188 12.640 -7.158 1.00 0.00 H new ATOM 0 HD2 HIS A 728 1.584 10.919 -7.421 1.00 0.00 H new ATOM 0 HE1 HIS A 728 -0.380 13.784 -4.990 1.00 0.00 H new ATOM 0 HE2 HIS A 728 -0.711 11.871 -6.636 1.00 0.00 H new ATOM 187 N HIS A 729 6.657 10.108 -5.474 1.00 0.00 N ATOM 188 CA HIS A 729 8.071 9.932 -5.791 1.00 0.00 C ATOM 189 C HIS A 729 8.627 8.715 -5.075 1.00 0.00 C ATOM 190 O HIS A 729 7.965 8.134 -4.216 1.00 0.00 O ATOM 191 CB HIS A 729 8.903 11.173 -5.432 1.00 0.00 C ATOM 192 CG HIS A 729 8.789 11.591 -4.004 1.00 0.00 C ATOM 193 ND1 HIS A 729 9.780 11.391 -3.067 1.00 0.00 N ATOM 194 CD2 HIS A 729 7.783 12.212 -3.363 1.00 0.00 C ATOM 195 CE1 HIS A 729 9.382 11.874 -1.904 1.00 0.00 C ATOM 196 NE2 HIS A 729 8.173 12.379 -2.058 1.00 0.00 N ATOM 0 H HIS A 729 6.325 9.546 -4.690 1.00 0.00 H new ATOM 0 HA HIS A 729 8.142 9.785 -6.869 1.00 0.00 H new ATOM 0 HB2 HIS A 729 9.950 10.973 -5.658 1.00 0.00 H new ATOM 0 HB3 HIS A 729 8.592 12.002 -6.068 1.00 0.00 H new ATOM 0 HD2 HIS A 729 6.843 12.522 -3.795 1.00 0.00 H new ATOM 0 HE1 HIS A 729 9.949 11.858 -0.985 1.00 0.00 H new ATOM 0 HE2 HIS A 729 7.618 12.822 -1.326 1.00 0.00 H new ATOM 205 N ASP A 730 9.845 8.345 -5.432 1.00 0.00 N ATOM 206 CA ASP A 730 10.511 7.206 -4.828 1.00 0.00 C ATOM 207 C ASP A 730 11.092 7.580 -3.470 1.00 0.00 C ATOM 208 O ASP A 730 11.631 8.674 -3.286 1.00 0.00 O ATOM 209 CB ASP A 730 11.601 6.663 -5.761 1.00 0.00 C ATOM 210 CG ASP A 730 12.633 7.703 -6.154 1.00 0.00 C ATOM 211 OD1 ASP A 730 13.817 7.534 -5.805 1.00 0.00 O ATOM 212 OD2 ASP A 730 12.272 8.684 -6.841 1.00 0.00 O ATOM 0 H ASP A 730 10.397 8.823 -6.145 1.00 0.00 H new ATOM 0 HA ASP A 730 9.774 6.418 -4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 730 12.105 5.829 -5.272 1.00 0.00 H new ATOM 0 HB3 ASP A 730 11.133 6.268 -6.663 1.00 0.00 H new ATOM 217 N LEU A 731 10.942 6.674 -2.518 1.00 0.00 N ATOM 218 CA LEU A 731 11.384 6.896 -1.148 1.00 0.00 C ATOM 219 C LEU A 731 12.840 6.498 -0.961 1.00 0.00 C ATOM 220 O LEU A 731 13.163 5.321 -0.947 1.00 0.00 O ATOM 221 CB LEU A 731 10.482 6.115 -0.200 1.00 0.00 C ATOM 222 CG LEU A 731 9.135 6.771 0.054 1.00 0.00 C ATOM 223 CD1 LEU A 731 8.255 5.892 0.919 1.00 0.00 C ATOM 224 CD2 LEU A 731 9.311 8.138 0.698 1.00 0.00 C ATOM 0 H LEU A 731 10.510 5.763 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 731 11.313 7.960 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 731 10.318 5.119 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 731 10.997 5.987 0.752 1.00 0.00 H new ATOM 0 HG LEU A 731 8.644 6.903 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 731 7.298 6.386 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 731 8.089 4.938 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 731 8.744 5.718 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 731 8.333 8.588 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 731 9.832 8.028 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 731 9.894 8.779 0.037 1.00 0.00 H new ATOM 236 N LYS A 732 13.705 7.493 -0.814 1.00 0.00 N ATOM 237 CA LYS A 732 15.145 7.267 -0.701 1.00 0.00 C ATOM 238 C LYS A 732 15.528 6.879 0.725 1.00 0.00 C ATOM 239 O LYS A 732 15.700 7.747 1.581 1.00 0.00 O ATOM 240 CB LYS A 732 15.891 8.539 -1.100 1.00 0.00 C ATOM 241 CG LYS A 732 15.424 9.121 -2.423 1.00 0.00 C ATOM 242 CD LYS A 732 15.861 8.276 -3.606 1.00 0.00 C ATOM 243 CE LYS A 732 17.352 8.403 -3.863 1.00 0.00 C ATOM 244 NZ LYS A 732 17.770 7.668 -5.086 1.00 0.00 N ATOM 0 H LYS A 732 13.433 8.475 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 732 15.419 6.448 -1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 732 15.764 9.287 -0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 732 16.957 8.322 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 732 14.337 9.203 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 732 15.819 10.131 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 732 15.611 7.232 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 732 15.310 8.582 -4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 732 17.614 9.456 -3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 732 17.902 8.020 -3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 18.658 8.072 -5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 17.915 6.664 -4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 17.030 7.753 -5.812 1.00 0.00 H new ATOM 258 N LEU A 733 15.654 5.585 0.981 1.00 0.00 N ATOM 259 CA LEU A 733 15.979 5.101 2.322 1.00 0.00 C ATOM 260 C LEU A 733 17.361 4.461 2.376 1.00 0.00 C ATOM 261 O LEU A 733 17.951 4.122 1.348 1.00 0.00 O ATOM 262 CB LEU A 733 14.942 4.084 2.805 1.00 0.00 C ATOM 263 CG LEU A 733 13.584 4.648 3.237 1.00 0.00 C ATOM 264 CD1 LEU A 733 13.595 6.164 3.371 1.00 0.00 C ATOM 265 CD2 LEU A 733 12.521 4.204 2.270 1.00 0.00 C ATOM 0 H LEU A 733 15.537 4.851 0.283 1.00 0.00 H new ATOM 0 HA LEU A 733 15.971 5.972 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 733 14.773 3.362 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 733 15.367 3.536 3.646 1.00 0.00 H new ATOM 0 HG LEU A 733 13.363 4.253 4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 733 12.608 6.509 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 733 14.332 6.458 4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 733 13.853 6.612 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 733 11.556 4.606 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 733 12.762 4.568 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 733 12.473 3.115 2.257 1.00 0.00 H new ATOM 277 N CYS A 734 17.859 4.303 3.595 1.00 0.00 N ATOM 278 CA CYS A 734 19.129 3.645 3.850 1.00 0.00 C ATOM 279 C CYS A 734 18.880 2.253 4.423 1.00 0.00 C ATOM 280 O CYS A 734 17.743 1.787 4.461 1.00 0.00 O ATOM 281 CB CYS A 734 19.975 4.490 4.802 1.00 0.00 C ATOM 282 SG CYS A 734 20.401 6.120 4.144 1.00 0.00 S ATOM 0 H CYS A 734 17.389 4.631 4.439 1.00 0.00 H new ATOM 0 HA CYS A 734 19.679 3.539 2.915 1.00 0.00 H new ATOM 0 HB2 CYS A 734 19.434 4.617 5.740 1.00 0.00 H new ATOM 0 HB3 CYS A 734 20.893 3.950 5.034 1.00 0.00 H new ATOM 0 HG CYS A 734 21.115 6.767 5.016 1.00 0.00 H new ATOM 288 N LEU A 735 19.935 1.580 4.842 1.00 0.00 N ATOM 289 CA LEU A 735 19.825 0.192 5.249 1.00 0.00 C ATOM 290 C LEU A 735 19.147 0.047 6.593 1.00 0.00 C ATOM 291 O LEU A 735 19.386 0.824 7.522 1.00 0.00 O ATOM 292 CB LEU A 735 21.196 -0.460 5.253 1.00 0.00 C ATOM 293 CG LEU A 735 21.324 -1.761 6.039 1.00 0.00 C ATOM 294 CD1 LEU A 735 20.644 -2.893 5.294 1.00 0.00 C ATOM 295 CD2 LEU A 735 22.785 -2.090 6.290 1.00 0.00 C ATOM 0 H LEU A 735 20.875 1.970 4.909 1.00 0.00 H new ATOM 0 HA LEU A 735 19.194 -0.321 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 735 21.485 -0.655 4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 735 21.914 0.255 5.656 1.00 0.00 H new ATOM 0 HG LEU A 735 20.832 -1.635 7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 735 20.743 -3.816 5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 735 19.588 -2.659 5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 735 21.112 -3.019 4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 735 22.857 -3.021 6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 735 23.302 -2.200 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 735 23.246 -1.285 6.862 1.00 0.00 H new ATOM 307 N GLY A 736 18.285 -0.951 6.673 1.00 0.00 N ATOM 308 CA GLY A 736 17.528 -1.182 7.879 1.00 0.00 C ATOM 309 C GLY A 736 16.428 -0.162 8.039 1.00 0.00 C ATOM 310 O GLY A 736 15.866 0.000 9.122 1.00 0.00 O ATOM 0 H GLY A 736 18.096 -1.609 5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 736 17.098 -2.183 7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 736 18.193 -1.141 8.742 1.00 0.00 H new ATOM 314 N ASP A 737 16.136 0.550 6.963 1.00 0.00 N ATOM 315 CA ASP A 737 15.055 1.530 6.984 1.00 0.00 C ATOM 316 C ASP A 737 13.718 0.914 6.596 1.00 0.00 C ATOM 317 O ASP A 737 13.650 -0.017 5.797 1.00 0.00 O ATOM 318 CB ASP A 737 15.348 2.697 6.043 1.00 0.00 C ATOM 319 CG ASP A 737 15.930 3.900 6.754 1.00 0.00 C ATOM 320 OD1 ASP A 737 17.084 4.275 6.462 1.00 0.00 O ATOM 321 OD2 ASP A 737 15.236 4.482 7.614 1.00 0.00 O ATOM 0 H ASP A 737 16.625 0.472 6.071 1.00 0.00 H new ATOM 0 HA ASP A 737 14.992 1.892 8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 737 16.043 2.368 5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 737 14.427 2.990 5.539 1.00 0.00 H new ATOM 326 N HIS A 738 12.664 1.438 7.196 1.00 0.00 N ATOM 327 CA HIS A 738 11.303 1.177 6.760 1.00 0.00 C ATOM 328 C HIS A 738 10.783 2.477 6.164 1.00 0.00 C ATOM 329 O HIS A 738 11.496 3.480 6.190 1.00 0.00 O ATOM 330 CB HIS A 738 10.423 0.705 7.932 1.00 0.00 C ATOM 331 CG HIS A 738 10.100 1.759 8.953 1.00 0.00 C ATOM 332 ND1 HIS A 738 10.913 2.034 10.030 1.00 0.00 N ATOM 333 CD2 HIS A 738 9.036 2.593 9.065 1.00 0.00 C ATOM 334 CE1 HIS A 738 10.368 2.990 10.757 1.00 0.00 C ATOM 335 NE2 HIS A 738 9.229 3.346 10.195 1.00 0.00 N ATOM 0 H HIS A 738 12.728 2.059 8.003 1.00 0.00 H new ATOM 0 HA HIS A 738 11.277 0.375 6.022 1.00 0.00 H new ATOM 0 HB2 HIS A 738 9.489 0.313 7.529 1.00 0.00 H new ATOM 0 HB3 HIS A 738 10.926 -0.122 8.433 1.00 0.00 H new ATOM 0 HD2 HIS A 738 8.195 2.653 8.391 1.00 0.00 H new ATOM 0 HE1 HIS A 738 10.784 3.411 11.660 1.00 0.00 H new ATOM 0 HE2 HIS A 738 8.595 4.065 10.544 1.00 0.00 H new ATOM 344 N SER A 739 9.573 2.503 5.641 1.00 0.00 N ATOM 345 CA SER A 739 9.129 3.721 4.974 1.00 0.00 C ATOM 346 C SER A 739 7.686 4.072 5.303 1.00 0.00 C ATOM 347 O SER A 739 6.964 3.291 5.926 1.00 0.00 O ATOM 348 CB SER A 739 9.322 3.606 3.459 1.00 0.00 C ATOM 349 OG SER A 739 8.270 2.890 2.844 1.00 0.00 O ATOM 0 H SER A 739 8.902 1.735 5.659 1.00 0.00 H new ATOM 0 HA SER A 739 9.749 4.534 5.351 1.00 0.00 H new ATOM 0 HB2 SER A 739 9.384 4.604 3.025 1.00 0.00 H new ATOM 0 HB3 SER A 739 10.269 3.109 3.251 1.00 0.00 H new ATOM 0 HG SER A 739 8.016 2.131 3.410 1.00 0.00 H new ATOM 355 N SER A 740 7.286 5.260 4.877 1.00 0.00 N ATOM 356 CA SER A 740 5.949 5.762 5.115 1.00 0.00 C ATOM 357 C SER A 740 5.367 6.348 3.832 1.00 0.00 C ATOM 358 O SER A 740 5.825 7.380 3.337 1.00 0.00 O ATOM 359 CB SER A 740 5.970 6.806 6.236 1.00 0.00 C ATOM 360 OG SER A 740 7.007 7.758 6.039 1.00 0.00 O ATOM 0 H SER A 740 7.883 5.902 4.356 1.00 0.00 H new ATOM 0 HA SER A 740 5.311 4.936 5.429 1.00 0.00 H new ATOM 0 HB2 SER A 740 5.008 7.317 6.277 1.00 0.00 H new ATOM 0 HB3 SER A 740 6.108 6.309 7.196 1.00 0.00 H new ATOM 0 HG SER A 740 7.041 8.014 5.094 1.00 0.00 H new ATOM 366 N VAL A 741 4.372 5.669 3.295 1.00 0.00 N ATOM 367 CA VAL A 741 3.719 6.089 2.068 1.00 0.00 C ATOM 368 C VAL A 741 2.242 6.356 2.328 1.00 0.00 C ATOM 369 O VAL A 741 1.480 5.450 2.669 1.00 0.00 O ATOM 370 CB VAL A 741 3.901 5.041 0.945 1.00 0.00 C ATOM 371 CG1 VAL A 741 3.707 3.630 1.472 1.00 0.00 C ATOM 372 CG2 VAL A 741 2.948 5.311 -0.210 1.00 0.00 C ATOM 0 H VAL A 741 3.993 4.811 3.696 1.00 0.00 H new ATOM 0 HA VAL A 741 4.188 7.013 1.730 1.00 0.00 H new ATOM 0 HB VAL A 741 4.923 5.128 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 741 3.841 2.916 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 741 4.439 3.430 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 741 2.702 3.529 1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 741 3.096 4.561 -0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 741 1.920 5.265 0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 741 3.145 6.301 -0.620 1.00 0.00 H new ATOM 382 N PRO A 742 1.825 7.617 2.201 1.00 0.00 N ATOM 383 CA PRO A 742 0.451 8.008 2.442 1.00 0.00 C ATOM 384 C PRO A 742 -0.448 7.646 1.272 1.00 0.00 C ATOM 385 O PRO A 742 -0.072 7.827 0.118 1.00 0.00 O ATOM 386 CB PRO A 742 0.516 9.529 2.630 1.00 0.00 C ATOM 387 CG PRO A 742 1.932 9.941 2.348 1.00 0.00 C ATOM 388 CD PRO A 742 2.656 8.750 1.793 1.00 0.00 C ATOM 0 HA PRO A 742 0.028 7.495 3.306 1.00 0.00 H new ATOM 0 HB2 PRO A 742 -0.175 10.032 1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 742 0.228 9.806 3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 742 1.955 10.767 1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 742 2.416 10.291 3.259 1.00 0.00 H new ATOM 0 HD2 PRO A 742 2.749 8.808 0.709 1.00 0.00 H new ATOM 0 HD3 PRO A 742 3.666 8.672 2.196 1.00 0.00 H new ATOM 396 N VAL A 743 -1.619 7.106 1.569 1.00 0.00 N ATOM 397 CA VAL A 743 -2.575 6.762 0.531 1.00 0.00 C ATOM 398 C VAL A 743 -3.981 7.255 0.848 1.00 0.00 C ATOM 399 O VAL A 743 -4.569 6.910 1.870 1.00 0.00 O ATOM 400 CB VAL A 743 -2.629 5.250 0.266 1.00 0.00 C ATOM 401 CG1 VAL A 743 -2.693 4.483 1.559 1.00 0.00 C ATOM 402 CG2 VAL A 743 -3.798 4.906 -0.635 1.00 0.00 C ATOM 0 H VAL A 743 -1.929 6.897 2.518 1.00 0.00 H new ATOM 0 HA VAL A 743 -2.217 7.268 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 743 -1.713 4.959 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 743 -2.731 3.415 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 743 -1.809 4.703 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 743 -3.586 4.775 2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 743 -3.818 3.830 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 743 -4.728 5.213 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 743 -3.690 5.427 -1.586 1.00 0.00 H new ATOM 412 N ALA A 744 -4.509 8.068 -0.040 1.00 0.00 N ATOM 413 CA ALA A 744 -5.905 8.431 -0.003 1.00 0.00 C ATOM 414 C ALA A 744 -6.717 7.304 -0.602 1.00 0.00 C ATOM 415 O ALA A 744 -6.865 7.177 -1.817 1.00 0.00 O ATOM 416 CB ALA A 744 -6.144 9.745 -0.711 1.00 0.00 C ATOM 0 H ALA A 744 -3.984 8.494 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 744 -6.221 8.579 1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -7.204 9.994 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -5.566 10.531 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -5.834 9.659 -1.752 1.00 0.00 H new ATOM 422 N LEU A 745 -7.205 6.468 0.282 1.00 0.00 N ATOM 423 CA LEU A 745 -7.864 5.240 -0.088 1.00 0.00 C ATOM 424 C LEU A 745 -9.281 5.501 -0.562 1.00 0.00 C ATOM 425 O LEU A 745 -9.865 6.544 -0.267 1.00 0.00 O ATOM 426 CB LEU A 745 -7.859 4.312 1.116 1.00 0.00 C ATOM 427 CG LEU A 745 -6.484 4.157 1.762 1.00 0.00 C ATOM 428 CD1 LEU A 745 -6.594 4.062 3.262 1.00 0.00 C ATOM 429 CD2 LEU A 745 -5.762 2.947 1.212 1.00 0.00 C ATOM 0 H LEU A 745 -7.155 6.623 1.289 1.00 0.00 H new ATOM 0 HA LEU A 745 -7.330 4.775 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -8.560 4.691 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -8.220 3.330 0.809 1.00 0.00 H new ATOM 0 HG LEU A 745 -5.904 5.047 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -5.599 3.952 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -7.060 4.967 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -7.202 3.198 3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -4.785 2.859 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -6.347 2.050 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -5.632 3.059 0.136 1.00 0.00 H new ATOM 441 N LYS A 746 -9.829 4.553 -1.289 1.00 0.00 N ATOM 442 CA LYS A 746 -11.162 4.688 -1.828 1.00 0.00 C ATOM 443 C LYS A 746 -12.068 3.632 -1.227 1.00 0.00 C ATOM 444 O LYS A 746 -11.604 2.667 -0.622 1.00 0.00 O ATOM 445 CB LYS A 746 -11.142 4.573 -3.339 1.00 0.00 C ATOM 446 CG LYS A 746 -12.378 5.160 -4.002 1.00 0.00 C ATOM 447 CD LYS A 746 -12.209 5.281 -5.504 1.00 0.00 C ATOM 448 CE LYS A 746 -11.064 6.212 -5.881 1.00 0.00 C ATOM 449 NZ LYS A 746 -10.929 6.362 -7.355 1.00 0.00 N ATOM 0 H LYS A 746 -9.367 3.674 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 746 -11.547 5.674 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -10.257 5.079 -3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -11.054 3.522 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -13.241 4.531 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -12.585 6.143 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -12.027 4.294 -5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -13.135 5.651 -5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -11.230 7.191 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -10.132 5.825 -5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -10.138 7.003 -7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -10.745 5.432 -7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -11.809 6.755 -7.746 1.00 0.00 H new ATOM 463 N GLY A 747 -13.350 3.806 -1.429 1.00 0.00 N ATOM 464 CA GLY A 747 -14.328 2.943 -0.801 1.00 0.00 C ATOM 465 C GLY A 747 -14.825 3.529 0.501 1.00 0.00 C ATOM 466 O GLY A 747 -14.035 3.852 1.388 1.00 0.00 O ATOM 0 H GLY A 747 -13.744 4.536 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -15.169 2.791 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.886 1.964 -0.616 1.00 0.00 H new ATOM 470 N GLN A 748 -16.130 3.675 0.615 1.00 0.00 N ATOM 471 CA GLN A 748 -16.719 4.320 1.779 1.00 0.00 C ATOM 472 C GLN A 748 -17.257 3.298 2.772 1.00 0.00 C ATOM 473 O GLN A 748 -18.215 2.575 2.481 1.00 0.00 O ATOM 474 CB GLN A 748 -17.848 5.259 1.352 1.00 0.00 C ATOM 475 CG GLN A 748 -17.469 6.203 0.222 1.00 0.00 C ATOM 476 CD GLN A 748 -16.349 7.150 0.596 1.00 0.00 C ATOM 477 OE1 GLN A 748 -16.215 7.552 1.751 1.00 0.00 O ATOM 478 NE2 GLN A 748 -15.529 7.505 -0.380 1.00 0.00 N ATOM 0 H GLN A 748 -16.805 3.357 -0.081 1.00 0.00 H new ATOM 0 HA GLN A 748 -15.932 4.893 2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -18.706 4.662 1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -18.164 5.847 2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -17.169 5.618 -0.648 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -18.345 6.782 -0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -15.676 7.149 -1.324 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -14.750 8.135 -0.188 1.00 0.00 H new ATOM 487 N GLY A 749 -16.646 3.248 3.944 1.00 0.00 N ATOM 488 CA GLY A 749 -17.072 2.317 4.965 1.00 0.00 C ATOM 489 C GLY A 749 -15.970 1.364 5.353 1.00 0.00 C ATOM 490 O GLY A 749 -14.848 1.497 4.879 1.00 0.00 O ATOM 0 H GLY A 749 -15.858 3.839 4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -17.401 2.869 5.845 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -17.931 1.751 4.605 1.00 0.00 H new ATOM 494 N PRO A 750 -16.260 0.399 6.228 1.00 0.00 N ATOM 495 CA PRO A 750 -15.278 -0.584 6.681 1.00 0.00 C ATOM 496 C PRO A 750 -14.860 -1.539 5.567 1.00 0.00 C ATOM 497 O PRO A 750 -15.514 -2.558 5.323 1.00 0.00 O ATOM 498 CB PRO A 750 -16.014 -1.346 7.793 1.00 0.00 C ATOM 499 CG PRO A 750 -17.198 -0.501 8.130 1.00 0.00 C ATOM 500 CD PRO A 750 -17.563 0.201 6.862 1.00 0.00 C ATOM 0 HA PRO A 750 -14.354 -0.111 7.014 1.00 0.00 H new ATOM 0 HB2 PRO A 750 -16.320 -2.336 7.455 1.00 0.00 H new ATOM 0 HB3 PRO A 750 -15.373 -1.490 8.663 1.00 0.00 H new ATOM 0 HG2 PRO A 750 -18.025 -1.111 8.492 1.00 0.00 H new ATOM 0 HG3 PRO A 750 -16.959 0.213 8.919 1.00 0.00 H new ATOM 0 HD2 PRO A 750 -18.229 -0.399 6.242 1.00 0.00 H new ATOM 0 HD3 PRO A 750 -18.070 1.147 7.052 1.00 0.00 H new ATOM 508 N PHE A 751 -13.767 -1.209 4.897 1.00 0.00 N ATOM 509 CA PHE A 751 -13.252 -2.030 3.813 1.00 0.00 C ATOM 510 C PHE A 751 -11.964 -2.734 4.216 1.00 0.00 C ATOM 511 O PHE A 751 -11.131 -2.169 4.920 1.00 0.00 O ATOM 512 CB PHE A 751 -13.018 -1.179 2.563 1.00 0.00 C ATOM 513 CG PHE A 751 -14.285 -0.874 1.815 1.00 0.00 C ATOM 514 CD1 PHE A 751 -15.050 0.237 2.123 1.00 0.00 C ATOM 515 CD2 PHE A 751 -14.713 -1.715 0.804 1.00 0.00 C ATOM 516 CE1 PHE A 751 -16.219 0.498 1.436 1.00 0.00 C ATOM 517 CE2 PHE A 751 -15.880 -1.454 0.114 1.00 0.00 C ATOM 518 CZ PHE A 751 -16.633 -0.347 0.431 1.00 0.00 C ATOM 0 H PHE A 751 -13.216 -0.372 5.087 1.00 0.00 H new ATOM 0 HA PHE A 751 -13.999 -2.792 3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 751 -12.539 -0.244 2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 751 -12.327 -1.700 1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 751 -14.730 0.906 2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 751 -14.127 -2.586 0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 751 -16.810 1.367 1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 751 -16.202 -2.119 -0.674 1.00 0.00 H new ATOM 0 HZ PHE A 751 -17.547 -0.141 -0.107 1.00 0.00 H new ATOM 528 N THR A 752 -11.811 -3.978 3.778 1.00 0.00 N ATOM 529 CA THR A 752 -10.595 -4.724 4.051 1.00 0.00 C ATOM 530 C THR A 752 -9.581 -4.459 2.962 1.00 0.00 C ATOM 531 O THR A 752 -9.654 -5.005 1.865 1.00 0.00 O ATOM 532 CB THR A 752 -10.852 -6.238 4.201 1.00 0.00 C ATOM 533 OG1 THR A 752 -11.738 -6.474 5.304 1.00 0.00 O ATOM 534 CG2 THR A 752 -9.549 -6.988 4.423 1.00 0.00 C ATOM 0 H THR A 752 -12.510 -4.486 3.236 1.00 0.00 H new ATOM 0 HA THR A 752 -10.202 -4.379 5.008 1.00 0.00 H new ATOM 0 HB THR A 752 -11.309 -6.602 3.281 1.00 0.00 H new ATOM 0 HG1 THR A 752 -12.636 -6.153 5.077 1.00 0.00 H new ATOM 0 HG21 THR A 752 -9.755 -8.053 4.526 1.00 0.00 H new ATOM 0 HG22 THR A 752 -8.887 -6.827 3.572 1.00 0.00 H new ATOM 0 HG23 THR A 752 -9.069 -6.622 5.330 1.00 0.00 H new ATOM 542 N LEU A 753 -8.640 -3.606 3.293 1.00 0.00 N ATOM 543 CA LEU A 753 -7.688 -3.091 2.338 1.00 0.00 C ATOM 544 C LEU A 753 -6.457 -3.980 2.281 1.00 0.00 C ATOM 545 O LEU A 753 -5.826 -4.246 3.300 1.00 0.00 O ATOM 546 CB LEU A 753 -7.293 -1.679 2.748 1.00 0.00 C ATOM 547 CG LEU A 753 -6.190 -1.049 1.907 1.00 0.00 C ATOM 548 CD1 LEU A 753 -6.727 -0.566 0.568 1.00 0.00 C ATOM 549 CD2 LEU A 753 -5.533 0.069 2.677 1.00 0.00 C ATOM 0 H LEU A 753 -8.513 -3.248 4.239 1.00 0.00 H new ATOM 0 HA LEU A 753 -8.143 -3.075 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -8.176 -1.042 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -6.971 -1.696 3.789 1.00 0.00 H new ATOM 0 HG LEU A 753 -5.437 -1.807 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -5.917 -0.121 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -7.145 -1.409 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -7.505 0.179 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -4.745 0.515 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -6.276 0.828 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -5.102 -0.327 3.597 1.00 0.00 H new ATOM 561 N THR A 754 -6.121 -4.442 1.092 1.00 0.00 N ATOM 562 CA THR A 754 -4.968 -5.301 0.917 1.00 0.00 C ATOM 563 C THR A 754 -3.994 -4.714 -0.095 1.00 0.00 C ATOM 564 O THR A 754 -4.392 -4.314 -1.193 1.00 0.00 O ATOM 565 CB THR A 754 -5.387 -6.688 0.439 1.00 0.00 C ATOM 566 OG1 THR A 754 -6.689 -7.006 0.947 1.00 0.00 O ATOM 567 CG2 THR A 754 -4.385 -7.704 0.933 1.00 0.00 C ATOM 0 H THR A 754 -6.631 -4.236 0.233 1.00 0.00 H new ATOM 0 HA THR A 754 -4.480 -5.380 1.888 1.00 0.00 H new ATOM 0 HB THR A 754 -5.420 -6.704 -0.650 1.00 0.00 H new ATOM 0 HG1 THR A 754 -6.953 -7.897 0.635 1.00 0.00 H new ATOM 0 HG21 THR A 754 -4.678 -8.698 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 754 -3.398 -7.463 0.539 1.00 0.00 H new ATOM 0 HG23 THR A 754 -4.355 -7.685 2.022 1.00 0.00 H new ATOM 575 N TYR A 755 -2.723 -4.668 0.268 1.00 0.00 N ATOM 576 CA TYR A 755 -1.704 -4.165 -0.633 1.00 0.00 C ATOM 577 C TYR A 755 -0.419 -4.980 -0.523 1.00 0.00 C ATOM 578 O TYR A 755 -0.168 -5.630 0.496 1.00 0.00 O ATOM 579 CB TYR A 755 -1.437 -2.679 -0.367 1.00 0.00 C ATOM 580 CG TYR A 755 -1.189 -2.326 1.088 1.00 0.00 C ATOM 581 CD1 TYR A 755 0.054 -2.526 1.679 1.00 0.00 C ATOM 582 CD2 TYR A 755 -2.199 -1.766 1.863 1.00 0.00 C ATOM 583 CE1 TYR A 755 0.280 -2.180 2.995 1.00 0.00 C ATOM 584 CE2 TYR A 755 -1.981 -1.423 3.184 1.00 0.00 C ATOM 585 CZ TYR A 755 -0.739 -1.633 3.745 1.00 0.00 C ATOM 586 OH TYR A 755 -0.509 -1.286 5.058 1.00 0.00 O ATOM 0 H TYR A 755 -2.375 -4.972 1.177 1.00 0.00 H new ATOM 0 HA TYR A 755 -2.073 -4.269 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 755 -0.572 -2.369 -0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 755 -2.289 -2.102 -0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 755 0.855 -2.959 1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 755 -3.171 -1.596 1.425 1.00 0.00 H new ATOM 0 HE1 TYR A 755 1.253 -2.337 3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 755 -2.778 -0.993 3.773 1.00 0.00 H new ATOM 0 HH TYR A 755 -0.476 -2.096 5.609 1.00 0.00 H new ATOM 596 N ASP A 756 0.384 -4.931 -1.578 1.00 0.00 N ATOM 597 CA ASP A 756 1.610 -5.711 -1.665 1.00 0.00 C ATOM 598 C ASP A 756 2.805 -4.794 -1.816 1.00 0.00 C ATOM 599 O ASP A 756 2.910 -4.052 -2.795 1.00 0.00 O ATOM 600 CB ASP A 756 1.574 -6.642 -2.879 1.00 0.00 C ATOM 601 CG ASP A 756 1.414 -8.110 -2.532 1.00 0.00 C ATOM 602 OD1 ASP A 756 2.041 -8.949 -3.217 1.00 0.00 O ATOM 603 OD2 ASP A 756 0.658 -8.441 -1.596 1.00 0.00 O ATOM 0 H ASP A 756 0.203 -4.350 -2.396 1.00 0.00 H new ATOM 0 HA ASP A 756 1.694 -6.297 -0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 756 0.752 -6.342 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 756 2.494 -6.513 -3.449 1.00 0.00 H new ATOM 608 N ILE A 757 3.705 -4.846 -0.860 1.00 0.00 N ATOM 609 CA ILE A 757 4.987 -4.203 -1.014 1.00 0.00 C ATOM 610 C ILE A 757 5.909 -5.203 -1.684 1.00 0.00 C ATOM 611 O ILE A 757 6.476 -6.084 -1.038 1.00 0.00 O ATOM 612 CB ILE A 757 5.591 -3.721 0.330 1.00 0.00 C ATOM 613 CG1 ILE A 757 4.812 -2.533 0.877 1.00 0.00 C ATOM 614 CG2 ILE A 757 7.039 -3.320 0.151 1.00 0.00 C ATOM 615 CD1 ILE A 757 3.539 -2.896 1.607 1.00 0.00 C ATOM 0 H ILE A 757 3.572 -5.326 0.030 1.00 0.00 H new ATOM 0 HA ILE A 757 4.864 -3.303 -1.616 1.00 0.00 H new ATOM 0 HB ILE A 757 5.528 -4.549 1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 757 5.457 -1.974 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 757 4.564 -1.867 0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 757 7.444 -2.985 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 757 7.612 -4.176 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 757 7.105 -2.510 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 757 3.051 -1.988 1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 757 2.870 -3.427 0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 757 3.777 -3.535 2.457 1.00 0.00 H new ATOM 627 N ILE A 758 6.016 -5.092 -2.992 1.00 0.00 N ATOM 628 CA ILE A 758 6.752 -6.056 -3.769 1.00 0.00 C ATOM 629 C ILE A 758 8.167 -5.581 -3.986 1.00 0.00 C ATOM 630 O ILE A 758 8.425 -4.387 -4.025 1.00 0.00 O ATOM 631 CB ILE A 758 6.053 -6.331 -5.117 1.00 0.00 C ATOM 632 CG1 ILE A 758 6.027 -5.087 -6.008 1.00 0.00 C ATOM 633 CG2 ILE A 758 4.640 -6.810 -4.858 1.00 0.00 C ATOM 634 CD1 ILE A 758 7.131 -5.054 -7.045 1.00 0.00 C ATOM 0 H ILE A 758 5.599 -4.338 -3.538 1.00 0.00 H new ATOM 0 HA ILE A 758 6.782 -6.993 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 758 6.619 -7.099 -5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 758 5.063 -5.035 -6.515 1.00 0.00 H new ATOM 0 HG13 ILE A 758 6.105 -4.200 -5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 758 4.142 -7.006 -5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 758 4.669 -7.726 -4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 758 4.090 -6.044 -4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 758 7.047 -4.143 -7.638 1.00 0.00 H new ATOM 0 HD12 ILE A 758 8.100 -5.074 -6.546 1.00 0.00 H new ATOM 0 HD13 ILE A 758 7.042 -5.922 -7.699 1.00 0.00 H new ATOM 646 N GLU A 759 9.088 -6.504 -4.100 1.00 0.00 N ATOM 647 CA GLU A 759 10.465 -6.131 -4.313 1.00 0.00 C ATOM 648 C GLU A 759 10.896 -6.423 -5.735 1.00 0.00 C ATOM 649 O GLU A 759 10.707 -7.526 -6.244 1.00 0.00 O ATOM 650 CB GLU A 759 11.385 -6.832 -3.327 1.00 0.00 C ATOM 651 CG GLU A 759 11.273 -8.322 -3.330 1.00 0.00 C ATOM 652 CD GLU A 759 12.378 -8.959 -2.522 1.00 0.00 C ATOM 653 OE1 GLU A 759 13.128 -9.774 -3.088 1.00 0.00 O ATOM 654 OE2 GLU A 759 12.497 -8.646 -1.318 1.00 0.00 O ATOM 0 H GLU A 759 8.914 -7.508 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 759 10.541 -5.057 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 759 12.416 -6.557 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 759 11.169 -6.466 -2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 759 10.306 -8.617 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 759 11.312 -8.689 -4.356 1.00 0.00 H new ATOM 661 N THR A 760 11.480 -5.427 -6.372 1.00 0.00 N ATOM 662 CA THR A 760 12.006 -5.598 -7.707 1.00 0.00 C ATOM 663 C THR A 760 13.478 -5.993 -7.608 1.00 0.00 C ATOM 664 O THR A 760 14.132 -6.307 -8.605 1.00 0.00 O ATOM 665 CB THR A 760 11.806 -4.327 -8.572 1.00 0.00 C ATOM 666 OG1 THR A 760 12.846 -4.196 -9.552 1.00 0.00 O ATOM 667 CG2 THR A 760 11.739 -3.084 -7.703 1.00 0.00 C ATOM 0 H THR A 760 11.601 -4.491 -5.984 1.00 0.00 H new ATOM 0 HA THR A 760 11.455 -6.393 -8.211 1.00 0.00 H new ATOM 0 HB THR A 760 10.856 -4.433 -9.097 1.00 0.00 H new ATOM 0 HG1 THR A 760 13.312 -5.053 -9.651 1.00 0.00 H new ATOM 0 HG21 THR A 760 11.598 -2.206 -8.334 1.00 0.00 H new ATOM 0 HG22 THR A 760 10.903 -3.170 -7.009 1.00 0.00 H new ATOM 0 HG23 THR A 760 12.668 -2.982 -7.141 1.00 0.00 H new ATOM 739 N ARG A 765 7.737 -10.614 -2.450 1.00 0.00 N ATOM 740 CA ARG A 765 6.583 -9.741 -2.281 1.00 0.00 C ATOM 741 C ARG A 765 6.024 -9.855 -0.870 1.00 0.00 C ATOM 742 O ARG A 765 5.997 -10.940 -0.286 1.00 0.00 O ATOM 743 CB ARG A 765 5.493 -10.095 -3.285 1.00 0.00 C ATOM 744 CG ARG A 765 5.922 -9.971 -4.734 1.00 0.00 C ATOM 745 CD ARG A 765 4.770 -10.296 -5.669 1.00 0.00 C ATOM 746 NE ARG A 765 4.256 -11.648 -5.440 1.00 0.00 N ATOM 747 CZ ARG A 765 2.959 -11.964 -5.395 1.00 0.00 C ATOM 748 NH1 ARG A 765 2.031 -11.028 -5.555 1.00 0.00 N ATOM 749 NH2 ARG A 765 2.590 -13.220 -5.178 1.00 0.00 N ATOM 0 HA ARG A 765 6.912 -8.716 -2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 765 5.163 -11.117 -3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 765 4.633 -9.447 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 765 6.278 -8.959 -4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 765 6.756 -10.645 -4.930 1.00 0.00 H new ATOM 0 HD2 ARG A 765 3.968 -9.572 -5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 765 5.102 -10.202 -6.703 1.00 0.00 H new ATOM 0 HE ARG A 765 4.934 -12.398 -5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 765 2.306 -10.059 -5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 765 1.043 -11.278 -5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 765 3.297 -13.944 -5.046 1.00 0.00 H new ATOM 0 HH22 ARG A 765 1.600 -13.462 -5.144 1.00 0.00 H new ATOM 763 N LYS A 766 5.570 -8.739 -0.329 1.00 0.00 N ATOM 764 CA LYS A 766 5.019 -8.721 1.003 1.00 0.00 C ATOM 765 C LYS A 766 3.587 -8.236 0.954 1.00 0.00 C ATOM 766 O LYS A 766 3.254 -7.352 0.182 1.00 0.00 O ATOM 767 CB LYS A 766 5.849 -7.824 1.918 1.00 0.00 C ATOM 768 CG LYS A 766 5.734 -8.206 3.383 1.00 0.00 C ATOM 769 CD LYS A 766 4.629 -7.448 4.102 1.00 0.00 C ATOM 770 CE LYS A 766 4.498 -7.919 5.544 1.00 0.00 C ATOM 771 NZ LYS A 766 5.819 -8.013 6.226 1.00 0.00 N ATOM 0 H LYS A 766 5.575 -7.833 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 766 5.042 -9.733 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 766 6.895 -7.874 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 766 5.530 -6.790 1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 766 5.545 -9.277 3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 766 6.685 -8.013 3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 766 4.843 -6.379 4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 766 3.683 -7.594 3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 766 3.856 -7.230 6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 766 4.010 -8.894 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 5.710 -7.765 7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 6.182 -8.984 6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 6.489 -7.355 5.778 1.00 0.00 H new ATOM 785 N THR A 767 2.755 -8.808 1.783 1.00 0.00 N ATOM 786 CA THR A 767 1.344 -8.481 1.781 1.00 0.00 C ATOM 787 C THR A 767 0.915 -7.912 3.127 1.00 0.00 C ATOM 788 O THR A 767 1.229 -8.472 4.179 1.00 0.00 O ATOM 789 CB THR A 767 0.496 -9.725 1.462 1.00 0.00 C ATOM 790 OG1 THR A 767 0.895 -10.270 0.197 1.00 0.00 O ATOM 791 CG2 THR A 767 -0.986 -9.383 1.424 1.00 0.00 C ATOM 0 H THR A 767 3.027 -9.507 2.474 1.00 0.00 H new ATOM 0 HA THR A 767 1.183 -7.729 1.009 1.00 0.00 H new ATOM 0 HB THR A 767 0.659 -10.460 2.250 1.00 0.00 H new ATOM 0 HG1 THR A 767 1.162 -9.543 -0.403 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.561 -10.281 1.196 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.294 -8.991 2.393 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.166 -8.632 0.655 1.00 0.00 H new ATOM 799 N PHE A 768 0.220 -6.789 3.092 1.00 0.00 N ATOM 800 CA PHE A 768 -0.340 -6.211 4.295 1.00 0.00 C ATOM 801 C PHE A 768 -1.824 -5.958 4.092 1.00 0.00 C ATOM 802 O PHE A 768 -2.238 -5.347 3.103 1.00 0.00 O ATOM 803 CB PHE A 768 0.367 -4.913 4.654 1.00 0.00 C ATOM 804 CG PHE A 768 0.533 -4.705 6.128 1.00 0.00 C ATOM 805 CD1 PHE A 768 1.631 -5.226 6.785 1.00 0.00 C ATOM 806 CD2 PHE A 768 -0.403 -3.989 6.854 1.00 0.00 C ATOM 807 CE1 PHE A 768 1.797 -5.039 8.143 1.00 0.00 C ATOM 808 CE2 PHE A 768 -0.244 -3.797 8.212 1.00 0.00 C ATOM 809 CZ PHE A 768 0.858 -4.321 8.858 1.00 0.00 C ATOM 0 H PHE A 768 0.031 -6.260 2.241 1.00 0.00 H new ATOM 0 HA PHE A 768 -0.199 -6.912 5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 768 1.349 -4.902 4.182 1.00 0.00 H new ATOM 0 HB3 PHE A 768 -0.195 -4.077 4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 768 2.369 -5.786 6.230 1.00 0.00 H new ATOM 0 HD2 PHE A 768 -1.266 -3.576 6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 768 2.659 -5.453 8.645 1.00 0.00 H new ATOM 0 HE2 PHE A 768 -0.981 -3.237 8.769 1.00 0.00 H new ATOM 0 HZ PHE A 768 0.986 -4.170 9.920 1.00 0.00 H new ATOM 819 N GLU A 769 -2.608 -6.443 5.026 1.00 0.00 N ATOM 820 CA GLU A 769 -4.053 -6.385 4.939 1.00 0.00 C ATOM 821 C GLU A 769 -4.645 -5.736 6.187 1.00 0.00 C ATOM 822 O GLU A 769 -4.474 -6.232 7.301 1.00 0.00 O ATOM 823 CB GLU A 769 -4.578 -7.805 4.762 1.00 0.00 C ATOM 824 CG GLU A 769 -6.091 -7.933 4.748 1.00 0.00 C ATOM 825 CD GLU A 769 -6.534 -9.379 4.659 1.00 0.00 C ATOM 826 OE1 GLU A 769 -6.356 -10.121 5.650 1.00 0.00 O ATOM 827 OE2 GLU A 769 -7.058 -9.785 3.598 1.00 0.00 O ATOM 0 H GLU A 769 -2.262 -6.892 5.874 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.350 -5.774 4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -4.186 -8.207 3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -4.183 -8.425 5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.502 -7.482 5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.495 -7.377 3.902 1.00 0.00 H new ATOM 834 N ILE A 770 -5.323 -4.616 5.993 1.00 0.00 N ATOM 835 CA ILE A 770 -5.946 -3.894 7.083 1.00 0.00 C ATOM 836 C ILE A 770 -7.452 -3.889 6.894 1.00 0.00 C ATOM 837 O ILE A 770 -7.963 -3.308 5.940 1.00 0.00 O ATOM 838 CB ILE A 770 -5.427 -2.447 7.134 1.00 0.00 C ATOM 839 CG1 ILE A 770 -3.927 -2.440 7.394 1.00 0.00 C ATOM 840 CG2 ILE A 770 -6.153 -1.652 8.206 1.00 0.00 C ATOM 841 CD1 ILE A 770 -3.207 -1.355 6.640 1.00 0.00 C ATOM 0 H ILE A 770 -5.455 -4.186 5.078 1.00 0.00 H new ATOM 0 HA ILE A 770 -5.696 -4.389 8.021 1.00 0.00 H new ATOM 0 HB ILE A 770 -5.621 -1.975 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 770 -3.749 -2.313 8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 770 -3.510 -3.408 7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 770 -5.770 -0.632 8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 770 -7.220 -1.635 7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 770 -5.990 -2.118 9.178 1.00 0.00 H new ATOM 0 HD11 ILE A 770 -2.142 -1.401 6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 770 -3.357 -1.495 5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 770 -3.600 -0.383 6.938 1.00 0.00 H new ATOM 853 N LYS A 771 -8.161 -4.560 7.779 1.00 0.00 N ATOM 854 CA LYS A 771 -9.596 -4.652 7.666 1.00 0.00 C ATOM 855 C LYS A 771 -10.267 -3.425 8.243 1.00 0.00 C ATOM 856 O LYS A 771 -9.742 -2.771 9.149 1.00 0.00 O ATOM 857 CB LYS A 771 -10.099 -5.902 8.368 1.00 0.00 C ATOM 858 CG LYS A 771 -9.026 -6.965 8.490 1.00 0.00 C ATOM 859 CD LYS A 771 -9.607 -8.341 8.721 1.00 0.00 C ATOM 860 CE LYS A 771 -10.295 -8.869 7.471 1.00 0.00 C ATOM 861 NZ LYS A 771 -10.841 -10.233 7.672 1.00 0.00 N ATOM 0 H LYS A 771 -7.764 -5.048 8.582 1.00 0.00 H new ATOM 0 HA LYS A 771 -9.849 -4.712 6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 771 -10.460 -5.637 9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 771 -10.948 -6.308 7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 771 -8.423 -6.975 7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -8.358 -6.712 9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -8.814 -9.027 9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 771 -10.322 -8.303 9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -11.102 -8.193 7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -9.585 -8.881 6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -11.301 -10.555 6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -10.068 -10.884 7.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -11.538 -10.218 8.444 1.00 0.00 H new ATOM 875 N GLU A 772 -11.433 -3.141 7.698 1.00 0.00 N ATOM 876 CA GLU A 772 -12.284 -2.050 8.149 1.00 0.00 C ATOM 877 C GLU A 772 -11.576 -0.701 8.087 1.00 0.00 C ATOM 878 O GLU A 772 -11.631 0.062 9.052 1.00 0.00 O ATOM 879 CB GLU A 772 -12.759 -2.282 9.585 1.00 0.00 C ATOM 880 CG GLU A 772 -13.058 -3.729 9.925 1.00 0.00 C ATOM 881 CD GLU A 772 -13.657 -3.876 11.304 1.00 0.00 C ATOM 882 OE1 GLU A 772 -14.296 -2.915 11.786 1.00 0.00 O ATOM 883 OE2 GLU A 772 -13.487 -4.947 11.920 1.00 0.00 O ATOM 0 H GLU A 772 -11.825 -3.668 6.917 1.00 0.00 H new ATOM 0 HA GLU A 772 -13.137 -2.031 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -11.997 -1.912 10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -13.657 -1.689 9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -13.745 -4.140 9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -12.139 -4.312 9.865 1.00 0.00 H new ATOM 890 N ILE A 773 -10.907 -0.387 6.983 1.00 0.00 N ATOM 891 CA ILE A 773 -10.359 0.947 6.845 1.00 0.00 C ATOM 892 C ILE A 773 -11.513 1.894 6.567 1.00 0.00 C ATOM 893 O ILE A 773 -12.274 1.713 5.622 1.00 0.00 O ATOM 894 CB ILE A 773 -9.220 1.061 5.773 1.00 0.00 C ATOM 895 CG1 ILE A 773 -9.721 1.495 4.387 1.00 0.00 C ATOM 896 CG2 ILE A 773 -8.457 -0.250 5.653 1.00 0.00 C ATOM 897 CD1 ILE A 773 -9.814 3.005 4.211 1.00 0.00 C ATOM 0 H ILE A 773 -10.737 -1.016 6.199 1.00 0.00 H new ATOM 0 HA ILE A 773 -9.862 1.218 7.776 1.00 0.00 H new ATOM 0 HB ILE A 773 -8.556 1.847 6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -9.053 1.091 3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -10.704 1.057 4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -7.672 -0.147 4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -8.010 -0.500 6.615 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -9.142 -1.044 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -10.175 3.233 3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -10.505 3.415 4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -8.829 3.449 4.352 1.00 0.00 H new ATOM 909 N LYS A 774 -11.685 2.846 7.455 1.00 0.00 N ATOM 910 CA LYS A 774 -12.770 3.802 7.359 1.00 0.00 C ATOM 911 C LYS A 774 -12.161 5.183 7.216 1.00 0.00 C ATOM 912 O LYS A 774 -12.719 6.193 7.645 1.00 0.00 O ATOM 913 CB LYS A 774 -13.642 3.693 8.614 1.00 0.00 C ATOM 914 CG LYS A 774 -13.971 2.248 8.966 1.00 0.00 C ATOM 915 CD LYS A 774 -14.617 2.115 10.331 1.00 0.00 C ATOM 916 CE LYS A 774 -14.704 0.655 10.756 1.00 0.00 C ATOM 917 NZ LYS A 774 -15.260 0.511 12.127 1.00 0.00 N ATOM 0 H LYS A 774 -11.079 2.982 8.264 1.00 0.00 H new ATOM 0 HA LYS A 774 -13.405 3.605 6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 774 -13.127 4.161 9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 774 -14.568 4.247 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 774 -14.639 1.837 8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 774 -13.057 1.654 8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 774 -14.041 2.677 11.066 1.00 0.00 H new ATOM 0 HD3 LYS A 774 -15.616 2.551 10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 774 -15.330 0.108 10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 774 -13.712 0.205 10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 774 -15.303 -0.497 12.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 774 -14.649 1.012 12.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 774 -16.217 0.917 12.158 1.00 0.00 H new ATOM 931 N THR A 775 -10.992 5.194 6.595 1.00 0.00 N ATOM 932 CA THR A 775 -10.161 6.377 6.515 1.00 0.00 C ATOM 933 C THR A 775 -10.362 7.145 5.211 1.00 0.00 C ATOM 934 O THR A 775 -10.962 8.218 5.200 1.00 0.00 O ATOM 935 CB THR A 775 -8.687 5.974 6.599 1.00 0.00 C ATOM 936 OG1 THR A 775 -8.562 4.744 7.324 1.00 0.00 O ATOM 937 CG2 THR A 775 -7.872 7.057 7.287 1.00 0.00 C ATOM 0 H THR A 775 -10.594 4.377 6.131 1.00 0.00 H new ATOM 0 HA THR A 775 -10.449 7.022 7.346 1.00 0.00 H new ATOM 0 HB THR A 775 -8.306 5.842 5.586 1.00 0.00 H new ATOM 0 HG1 THR A 775 -7.617 4.488 7.374 1.00 0.00 H new ATOM 0 HG21 THR A 775 -6.827 6.750 7.336 1.00 0.00 H new ATOM 0 HG22 THR A 775 -7.951 7.986 6.722 1.00 0.00 H new ATOM 0 HG23 THR A 775 -8.252 7.213 8.297 1.00 0.00 H new ATOM 945 N ASN A 776 -9.824 6.570 4.129 1.00 0.00 N ATOM 946 CA ASN A 776 -9.829 7.160 2.784 1.00 0.00 C ATOM 947 C ASN A 776 -8.678 8.138 2.630 1.00 0.00 C ATOM 948 O ASN A 776 -8.535 8.788 1.599 1.00 0.00 O ATOM 949 CB ASN A 776 -11.161 7.831 2.434 1.00 0.00 C ATOM 950 CG ASN A 776 -12.330 6.862 2.414 1.00 0.00 C ATOM 951 OD1 ASN A 776 -13.475 7.264 2.609 1.00 0.00 O ATOM 952 ND2 ASN A 776 -12.050 5.581 2.219 1.00 0.00 N ATOM 0 H ASN A 776 -9.363 5.661 4.164 1.00 0.00 H new ATOM 0 HA ASN A 776 -9.699 6.340 2.078 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -11.364 8.621 3.157 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -11.075 8.307 1.457 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -12.799 4.888 2.227 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -11.086 5.288 2.060 1.00 0.00 H new ATOM 959 N GLU A 777 -7.858 8.206 3.669 1.00 0.00 N ATOM 960 CA GLU A 777 -6.618 8.974 3.680 1.00 0.00 C ATOM 961 C GLU A 777 -5.742 8.466 4.813 1.00 0.00 C ATOM 962 O GLU A 777 -5.801 8.970 5.932 1.00 0.00 O ATOM 963 CB GLU A 777 -6.891 10.463 3.860 1.00 0.00 C ATOM 964 CG GLU A 777 -7.194 11.187 2.560 1.00 0.00 C ATOM 965 CD GLU A 777 -7.201 12.689 2.705 1.00 0.00 C ATOM 966 OE1 GLU A 777 -8.162 13.230 3.291 1.00 0.00 O ATOM 967 OE2 GLU A 777 -6.255 13.338 2.209 1.00 0.00 O ATOM 0 H GLU A 777 -8.039 7.719 4.547 1.00 0.00 H new ATOM 0 HA GLU A 777 -6.112 8.844 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.732 10.590 4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.026 10.928 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -6.453 10.904 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.164 10.860 2.187 1.00 0.00 H new ATOM 974 N TYR A 778 -4.937 7.465 4.523 1.00 0.00 N ATOM 975 CA TYR A 778 -4.215 6.746 5.565 1.00 0.00 C ATOM 976 C TYR A 778 -2.747 6.621 5.209 1.00 0.00 C ATOM 977 O TYR A 778 -2.404 6.270 4.085 1.00 0.00 O ATOM 978 CB TYR A 778 -4.855 5.370 5.784 1.00 0.00 C ATOM 979 CG TYR A 778 -4.038 4.394 6.607 1.00 0.00 C ATOM 980 CD1 TYR A 778 -4.060 4.430 7.994 1.00 0.00 C ATOM 981 CD2 TYR A 778 -3.261 3.421 5.988 1.00 0.00 C ATOM 982 CE1 TYR A 778 -3.330 3.526 8.743 1.00 0.00 C ATOM 983 CE2 TYR A 778 -2.525 2.518 6.728 1.00 0.00 C ATOM 984 CZ TYR A 778 -2.563 2.573 8.104 1.00 0.00 C ATOM 985 OH TYR A 778 -1.836 1.666 8.843 1.00 0.00 O ATOM 0 H TYR A 778 -4.763 7.127 3.576 1.00 0.00 H new ATOM 0 HA TYR A 778 -4.279 7.308 6.497 1.00 0.00 H new ATOM 0 HB2 TYR A 778 -5.820 5.511 6.271 1.00 0.00 H new ATOM 0 HB3 TYR A 778 -5.052 4.921 4.810 1.00 0.00 H new ATOM 0 HD1 TYR A 778 -4.657 5.176 8.497 1.00 0.00 H new ATOM 0 HD2 TYR A 778 -3.233 3.371 4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 778 -3.360 3.565 9.822 1.00 0.00 H new ATOM 0 HE2 TYR A 778 -1.922 1.772 6.231 1.00 0.00 H new ATOM 0 HH TYR A 778 -1.353 1.064 8.239 1.00 0.00 H new ATOM 995 N VAL A 779 -1.881 6.931 6.157 1.00 0.00 N ATOM 996 CA VAL A 779 -0.458 6.833 5.923 1.00 0.00 C ATOM 997 C VAL A 779 0.033 5.427 6.226 1.00 0.00 C ATOM 998 O VAL A 779 -0.010 4.968 7.369 1.00 0.00 O ATOM 999 CB VAL A 779 0.341 7.864 6.736 1.00 0.00 C ATOM 1000 CG1 VAL A 779 1.799 7.872 6.301 1.00 0.00 C ATOM 1001 CG2 VAL A 779 -0.265 9.244 6.583 1.00 0.00 C ATOM 0 H VAL A 779 -2.140 7.251 7.090 1.00 0.00 H new ATOM 0 HA VAL A 779 -0.290 7.054 4.869 1.00 0.00 H new ATOM 0 HB VAL A 779 0.297 7.582 7.788 1.00 0.00 H new ATOM 0 HG11 VAL A 779 2.350 8.608 6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 779 2.232 6.884 6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 779 1.862 8.130 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 779 0.313 9.962 7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -0.250 9.533 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -1.294 9.231 6.941 1.00 0.00 H new ATOM 1011 N ILE A 780 0.473 4.745 5.184 1.00 0.00 N ATOM 1012 CA ILE A 780 0.953 3.382 5.296 1.00 0.00 C ATOM 1013 C ILE A 780 2.405 3.362 5.751 1.00 0.00 C ATOM 1014 O ILE A 780 3.201 4.218 5.369 1.00 0.00 O ATOM 1015 CB ILE A 780 0.835 2.645 3.945 1.00 0.00 C ATOM 1016 CG1 ILE A 780 -0.617 2.438 3.548 1.00 0.00 C ATOM 1017 CG2 ILE A 780 1.553 1.309 3.977 1.00 0.00 C ATOM 1018 CD1 ILE A 780 -0.741 1.742 2.216 1.00 0.00 C ATOM 0 H ILE A 780 0.507 5.122 4.237 1.00 0.00 H new ATOM 0 HA ILE A 780 0.335 2.873 6.035 1.00 0.00 H new ATOM 0 HB ILE A 780 1.312 3.279 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -1.123 1.850 4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -1.122 3.403 3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 780 1.450 0.817 3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 780 2.610 1.469 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 780 1.116 0.680 4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -1.795 1.613 1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 780 -0.259 2.343 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -0.259 0.766 2.269 1.00 0.00 H new ATOM 1030 N LYS A 781 2.738 2.382 6.570 1.00 0.00 N ATOM 1031 CA LYS A 781 4.102 2.186 7.019 1.00 0.00 C ATOM 1032 C LYS A 781 4.595 0.837 6.539 1.00 0.00 C ATOM 1033 O LYS A 781 4.117 -0.205 6.990 1.00 0.00 O ATOM 1034 CB LYS A 781 4.217 2.270 8.549 1.00 0.00 C ATOM 1035 CG LYS A 781 4.389 3.684 9.102 1.00 0.00 C ATOM 1036 CD LYS A 781 3.181 4.564 8.840 1.00 0.00 C ATOM 1037 CE LYS A 781 1.993 4.129 9.678 1.00 0.00 C ATOM 1038 NZ LYS A 781 2.194 4.398 11.128 1.00 0.00 N ATOM 0 H LYS A 781 2.074 1.703 6.941 1.00 0.00 H new ATOM 0 HA LYS A 781 4.717 2.983 6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 781 3.324 1.828 8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 781 5.065 1.664 8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 781 4.569 3.631 10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 781 5.271 4.141 8.653 1.00 0.00 H new ATOM 0 HD2 LYS A 781 3.428 5.601 9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 781 2.919 4.521 7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 781 1.099 4.650 9.335 1.00 0.00 H new ATOM 0 HE3 LYS A 781 1.818 3.064 9.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 781 1.289 4.293 11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 781 2.884 3.722 11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 781 2.550 5.367 11.255 1.00 0.00 H new ATOM 1052 N THR A 782 5.524 0.859 5.606 1.00 0.00 N ATOM 1053 CA THR A 782 6.080 -0.365 5.076 1.00 0.00 C ATOM 1054 C THR A 782 7.082 -0.935 6.063 1.00 0.00 C ATOM 1055 O THR A 782 7.828 -0.177 6.696 1.00 0.00 O ATOM 1056 CB THR A 782 6.784 -0.136 3.733 1.00 0.00 C ATOM 1057 OG1 THR A 782 7.989 0.603 3.934 1.00 0.00 O ATOM 1058 CG2 THR A 782 5.881 0.602 2.776 1.00 0.00 C ATOM 0 H THR A 782 5.909 1.712 5.200 1.00 0.00 H new ATOM 0 HA THR A 782 5.256 -1.061 4.917 1.00 0.00 H new ATOM 0 HB THR A 782 7.026 -1.107 3.300 1.00 0.00 H new ATOM 0 HG1 THR A 782 8.760 0.006 3.833 1.00 0.00 H new ATOM 0 HG21 THR A 782 6.400 0.754 1.830 1.00 0.00 H new ATOM 0 HG22 THR A 782 4.977 0.017 2.604 1.00 0.00 H new ATOM 0 HG23 THR A 782 5.612 1.569 3.202 1.00 0.00 H new ATOM 1066 N PRO A 783 7.110 -2.271 6.197 1.00 0.00 N ATOM 1067 CA PRO A 783 8.013 -2.971 7.118 1.00 0.00 C ATOM 1068 C PRO A 783 9.479 -2.649 6.845 1.00 0.00 C ATOM 1069 O PRO A 783 9.824 -2.102 5.794 1.00 0.00 O ATOM 1070 CB PRO A 783 7.735 -4.451 6.840 1.00 0.00 C ATOM 1071 CG PRO A 783 6.378 -4.478 6.227 1.00 0.00 C ATOM 1072 CD PRO A 783 6.262 -3.209 5.443 1.00 0.00 C ATOM 0 HA PRO A 783 7.841 -2.679 8.154 1.00 0.00 H new ATOM 0 HB2 PRO A 783 8.481 -4.873 6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 783 7.765 -5.038 7.758 1.00 0.00 H new ATOM 0 HG2 PRO A 783 6.257 -5.349 5.583 1.00 0.00 H new ATOM 0 HG3 PRO A 783 5.604 -4.538 6.992 1.00 0.00 H new ATOM 0 HD2 PRO A 783 6.612 -3.335 4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 783 5.230 -2.863 5.387 1.00 0.00 H new ATOM 1080 N VAL A 784 10.336 -3.000 7.792 1.00 0.00 N ATOM 1081 CA VAL A 784 11.746 -2.670 7.706 1.00 0.00 C ATOM 1082 C VAL A 784 12.420 -3.434 6.569 1.00 0.00 C ATOM 1083 O VAL A 784 12.192 -4.631 6.378 1.00 0.00 O ATOM 1084 CB VAL A 784 12.472 -2.959 9.038 1.00 0.00 C ATOM 1085 CG1 VAL A 784 12.461 -4.444 9.352 1.00 0.00 C ATOM 1086 CG2 VAL A 784 13.891 -2.422 9.005 1.00 0.00 C ATOM 0 H VAL A 784 10.075 -3.516 8.632 1.00 0.00 H new ATOM 0 HA VAL A 784 11.816 -1.602 7.499 1.00 0.00 H new ATOM 0 HB VAL A 784 11.934 -2.445 9.834 1.00 0.00 H new ATOM 0 HG11 VAL A 784 12.979 -4.620 10.295 1.00 0.00 H new ATOM 0 HG12 VAL A 784 11.431 -4.791 9.433 1.00 0.00 H new ATOM 0 HG13 VAL A 784 12.966 -4.988 8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 784 14.383 -2.637 9.953 1.00 0.00 H new ATOM 0 HG22 VAL A 784 14.442 -2.899 8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 784 13.868 -1.344 8.844 1.00 0.00 H new ATOM 1096 N PHE A 785 13.229 -2.725 5.807 1.00 0.00 N ATOM 1097 CA PHE A 785 13.956 -3.315 4.705 1.00 0.00 C ATOM 1098 C PHE A 785 15.416 -3.487 5.093 1.00 0.00 C ATOM 1099 O PHE A 785 16.191 -2.530 5.116 1.00 0.00 O ATOM 1100 CB PHE A 785 13.823 -2.441 3.460 1.00 0.00 C ATOM 1101 CG PHE A 785 12.397 -2.122 3.111 1.00 0.00 C ATOM 1102 CD1 PHE A 785 11.534 -3.117 2.679 1.00 0.00 C ATOM 1103 CD2 PHE A 785 11.922 -0.828 3.216 1.00 0.00 C ATOM 1104 CE1 PHE A 785 10.223 -2.822 2.357 1.00 0.00 C ATOM 1105 CE2 PHE A 785 10.614 -0.529 2.896 1.00 0.00 C ATOM 1106 CZ PHE A 785 9.764 -1.527 2.466 1.00 0.00 C ATOM 0 H PHE A 785 13.399 -1.727 5.935 1.00 0.00 H new ATOM 0 HA PHE A 785 13.537 -4.295 4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 785 14.369 -1.511 3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 785 14.292 -2.947 2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 785 11.890 -4.133 2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 785 12.582 -0.042 3.552 1.00 0.00 H new ATOM 0 HE1 PHE A 785 9.559 -3.605 2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 785 10.255 0.486 2.982 1.00 0.00 H new ATOM 0 HZ PHE A 785 8.740 -1.294 2.215 1.00 0.00 H new ATOM 1116 N THR A 786 15.783 -4.718 5.397 1.00 0.00 N ATOM 1117 CA THR A 786 17.099 -5.026 5.931 1.00 0.00 C ATOM 1118 C THR A 786 18.117 -5.231 4.819 1.00 0.00 C ATOM 1119 O THR A 786 19.182 -5.818 5.025 1.00 0.00 O ATOM 1120 CB THR A 786 17.020 -6.280 6.806 1.00 0.00 C ATOM 1121 OG1 THR A 786 16.572 -7.397 6.022 1.00 0.00 O ATOM 1122 CG2 THR A 786 16.050 -6.040 7.942 1.00 0.00 C ATOM 0 H THR A 786 15.179 -5.532 5.281 1.00 0.00 H new ATOM 0 HA THR A 786 17.428 -4.179 6.533 1.00 0.00 H new ATOM 0 HB THR A 786 18.009 -6.499 7.208 1.00 0.00 H new ATOM 0 HG1 THR A 786 16.525 -8.196 6.588 1.00 0.00 H new ATOM 0 HG21 THR A 786 15.993 -6.932 8.566 1.00 0.00 H new ATOM 0 HG22 THR A 786 16.394 -5.198 8.543 1.00 0.00 H new ATOM 0 HG23 THR A 786 15.063 -5.817 7.537 1.00 0.00 H new ATOM 1130 N THR A 787 17.778 -4.741 3.643 1.00 0.00 N ATOM 1131 CA THR A 787 18.638 -4.866 2.479 1.00 0.00 C ATOM 1132 C THR A 787 18.300 -3.802 1.445 1.00 0.00 C ATOM 1133 O THR A 787 17.151 -3.692 1.012 1.00 0.00 O ATOM 1134 CB THR A 787 18.517 -6.249 1.818 1.00 0.00 C ATOM 1135 OG1 THR A 787 18.719 -7.298 2.778 1.00 0.00 O ATOM 1136 CG2 THR A 787 19.529 -6.390 0.691 1.00 0.00 C ATOM 0 H THR A 787 16.903 -4.247 3.466 1.00 0.00 H new ATOM 0 HA THR A 787 19.661 -4.735 2.832 1.00 0.00 H new ATOM 0 HB THR A 787 17.510 -6.336 1.411 1.00 0.00 H new ATOM 0 HG1 THR A 787 18.636 -8.168 2.334 1.00 0.00 H new ATOM 0 HG21 THR A 787 19.430 -7.375 0.234 1.00 0.00 H new ATOM 0 HG22 THR A 787 19.347 -5.621 -0.060 1.00 0.00 H new ATOM 0 HG23 THR A 787 20.537 -6.275 1.090 1.00 0.00 H new ATOM 1144 N GLY A 788 19.294 -2.990 1.102 1.00 0.00 N ATOM 1145 CA GLY A 788 19.159 -2.055 0.003 1.00 0.00 C ATOM 1146 C GLY A 788 18.611 -2.703 -1.257 1.00 0.00 C ATOM 1147 O GLY A 788 19.221 -3.614 -1.817 1.00 0.00 O ATOM 0 H GLY A 788 20.199 -2.964 1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 788 18.500 -1.241 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 788 20.132 -1.614 -0.214 1.00 0.00 H new ATOM 1151 N GLY A 789 17.457 -2.226 -1.684 1.00 0.00 N ATOM 1152 CA GLY A 789 16.805 -2.733 -2.870 1.00 0.00 C ATOM 1153 C GLY A 789 15.574 -1.913 -3.175 1.00 0.00 C ATOM 1154 O GLY A 789 15.149 -1.118 -2.340 1.00 0.00 O ATOM 0 H GLY A 789 16.948 -1.476 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.493 -2.699 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 789 16.529 -3.777 -2.725 1.00 0.00 H new ATOM 1158 N ASP A 790 14.988 -2.084 -4.346 1.00 0.00 N ATOM 1159 CA ASP A 790 13.820 -1.300 -4.699 1.00 0.00 C ATOM 1160 C ASP A 790 12.549 -2.081 -4.429 1.00 0.00 C ATOM 1161 O ASP A 790 12.455 -3.275 -4.729 1.00 0.00 O ATOM 1162 CB ASP A 790 13.855 -0.858 -6.164 1.00 0.00 C ATOM 1163 CG ASP A 790 14.806 0.289 -6.422 1.00 0.00 C ATOM 1164 OD1 ASP A 790 16.029 0.048 -6.536 1.00 0.00 O ATOM 1165 OD2 ASP A 790 14.328 1.437 -6.543 1.00 0.00 O ATOM 0 H ASP A 790 15.295 -2.747 -5.058 1.00 0.00 H new ATOM 0 HA ASP A 790 13.832 -0.406 -4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 790 14.143 -1.706 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 790 12.851 -0.564 -6.471 1.00 0.00 H new ATOM 1170 N TYR A 791 11.584 -1.407 -3.841 1.00 0.00 N ATOM 1171 CA TYR A 791 10.283 -1.987 -3.585 1.00 0.00 C ATOM 1172 C TYR A 791 9.211 -1.139 -4.233 1.00 0.00 C ATOM 1173 O TYR A 791 9.374 0.065 -4.390 1.00 0.00 O ATOM 1174 CB TYR A 791 10.020 -2.097 -2.081 1.00 0.00 C ATOM 1175 CG TYR A 791 10.909 -3.092 -1.377 1.00 0.00 C ATOM 1176 CD1 TYR A 791 12.212 -2.764 -1.036 1.00 0.00 C ATOM 1177 CD2 TYR A 791 10.446 -4.360 -1.059 1.00 0.00 C ATOM 1178 CE1 TYR A 791 13.034 -3.675 -0.399 1.00 0.00 C ATOM 1179 CE2 TYR A 791 11.256 -5.275 -0.420 1.00 0.00 C ATOM 1180 CZ TYR A 791 12.548 -4.931 -0.094 1.00 0.00 C ATOM 1181 OH TYR A 791 13.358 -5.845 0.538 1.00 0.00 O ATOM 0 H TYR A 791 11.679 -0.441 -3.527 1.00 0.00 H new ATOM 0 HA TYR A 791 10.262 -2.990 -4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 791 10.157 -1.116 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 791 8.979 -2.379 -1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 791 12.591 -1.781 -1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 791 9.434 -4.636 -1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 791 14.048 -3.406 -0.142 1.00 0.00 H new ATOM 0 HE2 TYR A 791 10.878 -6.257 -0.177 1.00 0.00 H new ATOM 0 HH TYR A 791 12.862 -6.678 0.680 1.00 0.00 H new ATOM 1191 N ILE A 792 8.131 -1.772 -4.621 1.00 0.00 N ATOM 1192 CA ILE A 792 7.013 -1.085 -5.209 1.00 0.00 C ATOM 1193 C ILE A 792 5.748 -1.489 -4.477 1.00 0.00 C ATOM 1194 O ILE A 792 5.311 -2.636 -4.550 1.00 0.00 O ATOM 1195 CB ILE A 792 6.908 -1.406 -6.712 1.00 0.00 C ATOM 1196 CG1 ILE A 792 8.127 -0.842 -7.443 1.00 0.00 C ATOM 1197 CG2 ILE A 792 5.627 -0.827 -7.294 1.00 0.00 C ATOM 1198 CD1 ILE A 792 8.604 -1.697 -8.590 1.00 0.00 C ATOM 0 H ILE A 792 8.005 -2.781 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 792 7.154 -0.008 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 792 6.882 -2.488 -6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 792 7.884 0.151 -7.820 1.00 0.00 H new ATOM 0 HG13 ILE A 792 8.942 -0.722 -6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 792 5.570 -1.064 -8.356 1.00 0.00 H new ATOM 0 HG22 ILE A 792 4.767 -1.257 -6.780 1.00 0.00 H new ATOM 0 HG23 ILE A 792 5.624 0.255 -7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 792 9.471 -1.229 -9.057 1.00 0.00 H new ATOM 0 HD12 ILE A 792 8.880 -2.684 -8.218 1.00 0.00 H new ATOM 0 HD13 ILE A 792 7.806 -1.797 -9.326 1.00 0.00 H new ATOM 1210 N LEU A 793 5.186 -0.560 -3.734 1.00 0.00 N ATOM 1211 CA LEU A 793 3.980 -0.838 -2.995 1.00 0.00 C ATOM 1212 C LEU A 793 2.787 -0.648 -3.910 1.00 0.00 C ATOM 1213 O LEU A 793 2.466 0.464 -4.328 1.00 0.00 O ATOM 1214 CB LEU A 793 3.875 0.043 -1.746 1.00 0.00 C ATOM 1215 CG LEU A 793 2.612 -0.168 -0.902 1.00 0.00 C ATOM 1216 CD1 LEU A 793 2.138 -1.589 -0.989 1.00 0.00 C ATOM 1217 CD2 LEU A 793 2.827 0.259 0.539 1.00 0.00 C ATOM 0 H LEU A 793 5.545 0.389 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 793 4.002 -1.871 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 793 4.747 -0.140 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 793 3.917 1.088 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 793 1.829 0.469 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 793 1.241 -1.711 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 793 1.910 -1.834 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 793 2.918 -2.256 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 793 1.911 0.095 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 793 3.635 -0.328 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 793 3.089 1.317 0.570 1.00 0.00 H new ATOM 1229 N SER A 794 2.150 -1.758 -4.206 1.00 0.00 N ATOM 1230 CA SER A 794 1.054 -1.811 -5.142 1.00 0.00 C ATOM 1231 C SER A 794 -0.167 -2.382 -4.438 1.00 0.00 C ATOM 1232 O SER A 794 -0.047 -3.018 -3.393 1.00 0.00 O ATOM 1233 CB SER A 794 1.445 -2.680 -6.343 1.00 0.00 C ATOM 1234 OG SER A 794 0.407 -2.735 -7.307 1.00 0.00 O ATOM 0 H SER A 794 2.384 -2.662 -3.796 1.00 0.00 H new ATOM 0 HA SER A 794 0.820 -0.810 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 794 2.349 -2.281 -6.803 1.00 0.00 H new ATOM 0 HB3 SER A 794 1.680 -3.688 -6.002 1.00 0.00 H new ATOM 0 HG SER A 794 0.689 -3.295 -8.060 1.00 0.00 H new ATOM 1240 N LEU A 795 -1.335 -2.152 -5.001 1.00 0.00 N ATOM 1241 CA LEU A 795 -2.573 -2.574 -4.377 1.00 0.00 C ATOM 1242 C LEU A 795 -2.934 -3.988 -4.800 1.00 0.00 C ATOM 1243 O LEU A 795 -2.708 -4.376 -5.945 1.00 0.00 O ATOM 1244 CB LEU A 795 -3.679 -1.614 -4.772 1.00 0.00 C ATOM 1245 CG LEU A 795 -3.333 -0.144 -4.586 1.00 0.00 C ATOM 1246 CD1 LEU A 795 -4.483 0.716 -5.044 1.00 0.00 C ATOM 1247 CD2 LEU A 795 -2.971 0.145 -3.136 1.00 0.00 C ATOM 0 H LEU A 795 -1.454 -1.673 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 795 -2.447 -2.567 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 795 -3.935 -1.785 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 795 -4.568 -1.842 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 795 -2.461 0.094 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 795 -4.228 1.767 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 795 -4.683 0.525 -6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 795 -5.371 0.479 -4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 795 -2.727 1.202 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 795 -3.817 -0.101 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 795 -2.110 -0.458 -2.849 1.00 0.00 H new ATOM 1259 N VAL A 796 -3.481 -4.757 -3.867 1.00 0.00 N ATOM 1260 CA VAL A 796 -3.873 -6.127 -4.151 1.00 0.00 C ATOM 1261 C VAL A 796 -5.376 -6.240 -4.340 1.00 0.00 C ATOM 1262 O VAL A 796 -5.845 -6.700 -5.382 1.00 0.00 O ATOM 1263 CB VAL A 796 -3.421 -7.088 -3.032 1.00 0.00 C ATOM 1264 CG1 VAL A 796 -4.002 -8.481 -3.238 1.00 0.00 C ATOM 1265 CG2 VAL A 796 -1.914 -7.149 -3.009 1.00 0.00 C ATOM 0 H VAL A 796 -3.662 -4.454 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 796 -3.376 -6.413 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 796 -3.788 -6.713 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 796 -3.667 -9.137 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 796 -5.091 -8.426 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 796 -3.665 -8.878 -4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 796 -1.589 -7.827 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 796 -1.550 -7.511 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 796 -1.512 -6.153 -2.820 1.00 0.00 H new ATOM 1275 N SER A 797 -6.131 -5.785 -3.350 1.00 0.00 N ATOM 1276 CA SER A 797 -7.570 -5.963 -3.361 1.00 0.00 C ATOM 1277 C SER A 797 -8.198 -5.307 -2.136 1.00 0.00 C ATOM 1278 O SER A 797 -7.498 -4.749 -1.291 1.00 0.00 O ATOM 1279 CB SER A 797 -7.894 -7.461 -3.386 1.00 0.00 C ATOM 1280 OG SER A 797 -9.238 -7.707 -3.769 1.00 0.00 O ATOM 0 H SER A 797 -5.770 -5.292 -2.533 1.00 0.00 H new ATOM 0 HA SER A 797 -7.983 -5.488 -4.251 1.00 0.00 H new ATOM 0 HB2 SER A 797 -7.221 -7.966 -4.079 1.00 0.00 H new ATOM 0 HB3 SER A 797 -7.714 -7.888 -2.399 1.00 0.00 H new ATOM 0 HG SER A 797 -9.536 -7.006 -4.386 1.00 0.00 H new ATOM 1286 N ILE A 798 -9.517 -5.365 -2.060 1.00 0.00 N ATOM 1287 CA ILE A 798 -10.263 -4.788 -0.958 1.00 0.00 C ATOM 1288 C ILE A 798 -11.536 -5.602 -0.756 1.00 0.00 C ATOM 1289 O ILE A 798 -11.931 -6.355 -1.642 1.00 0.00 O ATOM 1290 CB ILE A 798 -10.618 -3.310 -1.240 1.00 0.00 C ATOM 1291 CG1 ILE A 798 -10.905 -2.561 0.060 1.00 0.00 C ATOM 1292 CG2 ILE A 798 -11.820 -3.232 -2.165 1.00 0.00 C ATOM 1293 CD1 ILE A 798 -10.741 -1.060 -0.061 1.00 0.00 C ATOM 0 H ILE A 798 -10.101 -5.816 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 798 -9.650 -4.815 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 798 -9.763 -2.838 -1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 798 -11.923 -2.783 0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 798 -10.237 -2.930 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 798 -12.063 -2.187 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 798 -11.588 -3.731 -3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 798 -12.673 -3.722 -1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 798 -10.960 -0.592 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 798 -9.717 -0.828 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 798 -11.428 -0.679 -0.816 1.00 0.00 H new ATOM 1305 N LYS A 799 -12.174 -5.460 0.389 1.00 0.00 N ATOM 1306 CA LYS A 799 -13.390 -6.203 0.661 1.00 0.00 C ATOM 1307 C LYS A 799 -14.421 -5.326 1.354 1.00 0.00 C ATOM 1308 O LYS A 799 -14.168 -4.782 2.430 1.00 0.00 O ATOM 1309 CB LYS A 799 -13.070 -7.450 1.488 1.00 0.00 C ATOM 1310 CG LYS A 799 -14.267 -8.116 2.143 1.00 0.00 C ATOM 1311 CD LYS A 799 -14.276 -7.835 3.642 1.00 0.00 C ATOM 1312 CE LYS A 799 -15.228 -8.747 4.382 1.00 0.00 C ATOM 1313 NZ LYS A 799 -15.193 -8.523 5.854 1.00 0.00 N ATOM 0 H LYS A 799 -11.874 -4.841 1.142 1.00 0.00 H new ATOM 0 HA LYS A 799 -13.823 -6.524 -0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 799 -12.577 -8.178 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 799 -12.356 -7.178 2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 799 -15.188 -7.748 1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 799 -14.234 -9.191 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 799 -13.269 -7.961 4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 799 -14.560 -6.797 3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 799 -16.242 -8.585 4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 799 -14.974 -9.785 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 799 -15.861 -9.170 6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 799 -14.232 -8.703 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 799 -15.461 -7.540 6.062 1.00 0.00 H new ATOM 1327 N ASP A 800 -15.564 -5.170 0.698 1.00 0.00 N ATOM 1328 CA ASP A 800 -16.704 -4.464 1.268 1.00 0.00 C ATOM 1329 C ASP A 800 -17.214 -5.213 2.485 1.00 0.00 C ATOM 1330 O ASP A 800 -17.032 -6.424 2.589 1.00 0.00 O ATOM 1331 CB ASP A 800 -17.824 -4.359 0.231 1.00 0.00 C ATOM 1332 CG ASP A 800 -19.024 -3.578 0.730 1.00 0.00 C ATOM 1333 OD1 ASP A 800 -19.889 -4.178 1.406 1.00 0.00 O ATOM 1334 OD2 ASP A 800 -19.110 -2.373 0.442 1.00 0.00 O ATOM 0 H ASP A 800 -15.727 -5.529 -0.243 1.00 0.00 H new ATOM 0 HA ASP A 800 -16.389 -3.463 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -17.435 -3.881 -0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -18.143 -5.362 -0.053 1.00 0.00 H new ATOM 1339 N SER A 801 -17.879 -4.481 3.373 1.00 0.00 N ATOM 1340 CA SER A 801 -18.327 -4.999 4.659 1.00 0.00 C ATOM 1341 C SER A 801 -19.288 -6.185 4.514 1.00 0.00 C ATOM 1342 O SER A 801 -19.511 -6.922 5.472 1.00 0.00 O ATOM 1343 CB SER A 801 -19.011 -3.878 5.436 1.00 0.00 C ATOM 1344 OG SER A 801 -18.282 -2.665 5.326 1.00 0.00 O ATOM 0 H SER A 801 -18.124 -3.503 3.218 1.00 0.00 H new ATOM 0 HA SER A 801 -17.449 -5.361 5.194 1.00 0.00 H new ATOM 0 HB2 SER A 801 -20.023 -3.734 5.058 1.00 0.00 H new ATOM 0 HB3 SER A 801 -19.100 -4.159 6.485 1.00 0.00 H new ATOM 0 HG SER A 801 -17.321 -2.859 5.332 1.00 0.00 H new ATOM 1350 N THR A 802 -19.858 -6.360 3.323 1.00 0.00 N ATOM 1351 CA THR A 802 -20.749 -7.483 3.058 1.00 0.00 C ATOM 1352 C THR A 802 -19.936 -8.675 2.545 1.00 0.00 C ATOM 1353 O THR A 802 -20.465 -9.756 2.277 1.00 0.00 O ATOM 1354 CB THR A 802 -21.848 -7.104 2.032 1.00 0.00 C ATOM 1355 OG1 THR A 802 -22.852 -8.122 1.973 1.00 0.00 O ATOM 1356 CG2 THR A 802 -21.260 -6.896 0.642 1.00 0.00 C ATOM 0 H THR A 802 -19.717 -5.737 2.528 1.00 0.00 H new ATOM 0 HA THR A 802 -21.245 -7.753 3.990 1.00 0.00 H new ATOM 0 HB THR A 802 -22.297 -6.168 2.365 1.00 0.00 H new ATOM 0 HG1 THR A 802 -22.429 -9.003 2.049 1.00 0.00 H new ATOM 0 HG21 THR A 802 -22.056 -6.631 -0.054 1.00 0.00 H new ATOM 0 HG22 THR A 802 -20.525 -6.092 0.675 1.00 0.00 H new ATOM 0 HG23 THR A 802 -20.778 -7.815 0.310 1.00 0.00 H new ATOM 1364 N GLY A 803 -18.636 -8.459 2.435 1.00 0.00 N ATOM 1365 CA GLY A 803 -17.735 -9.470 1.935 1.00 0.00 C ATOM 1366 C GLY A 803 -17.636 -9.439 0.430 1.00 0.00 C ATOM 1367 O GLY A 803 -17.554 -10.480 -0.222 1.00 0.00 O ATOM 0 H GLY A 803 -18.183 -7.581 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 803 -16.746 -9.321 2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 803 -18.078 -10.453 2.256 1.00 0.00 H new ATOM 1371 N CYS A 804 -17.642 -8.239 -0.125 1.00 0.00 N ATOM 1372 CA CYS A 804 -17.519 -8.079 -1.565 1.00 0.00 C ATOM 1373 C CYS A 804 -16.083 -7.717 -1.907 1.00 0.00 C ATOM 1374 O CYS A 804 -15.645 -6.591 -1.674 1.00 0.00 O ATOM 1375 CB CYS A 804 -18.479 -7.008 -2.090 1.00 0.00 C ATOM 1376 SG CYS A 804 -18.501 -6.843 -3.891 1.00 0.00 S ATOM 0 H CYS A 804 -17.730 -7.366 0.395 1.00 0.00 H new ATOM 0 HA CYS A 804 -17.784 -9.021 -2.046 1.00 0.00 H new ATOM 0 HB2 CYS A 804 -19.487 -7.241 -1.746 1.00 0.00 H new ATOM 0 HB3 CYS A 804 -18.207 -6.047 -1.653 1.00 0.00 H new ATOM 0 HG CYS A 804 -19.345 -5.914 -4.231 1.00 0.00 H new ATOM 1382 N VAL A 805 -15.352 -8.679 -2.440 1.00 0.00 N ATOM 1383 CA VAL A 805 -13.945 -8.485 -2.732 1.00 0.00 C ATOM 1384 C VAL A 805 -13.778 -7.844 -4.099 1.00 0.00 C ATOM 1385 O VAL A 805 -14.252 -8.363 -5.110 1.00 0.00 O ATOM 1386 CB VAL A 805 -13.171 -9.814 -2.676 1.00 0.00 C ATOM 1387 CG1 VAL A 805 -11.679 -9.558 -2.639 1.00 0.00 C ATOM 1388 CG2 VAL A 805 -13.604 -10.643 -1.474 1.00 0.00 C ATOM 0 H VAL A 805 -15.711 -9.603 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 805 -13.534 -7.823 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 805 -13.401 -10.381 -3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 805 -11.148 -10.509 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 805 -11.381 -9.013 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 805 -11.433 -8.968 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 805 -13.043 -11.578 -1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 805 -13.409 -10.085 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 805 -14.670 -10.861 -1.547 1.00 0.00 H new ATOM 1398 N VAL A 806 -13.111 -6.707 -4.107 1.00 0.00 N ATOM 1399 CA VAL A 806 -12.962 -5.897 -5.299 1.00 0.00 C ATOM 1400 C VAL A 806 -11.502 -5.846 -5.732 1.00 0.00 C ATOM 1401 O VAL A 806 -10.599 -5.721 -4.902 1.00 0.00 O ATOM 1402 CB VAL A 806 -13.513 -4.478 -5.037 1.00 0.00 C ATOM 1403 CG1 VAL A 806 -13.073 -3.478 -6.093 1.00 0.00 C ATOM 1404 CG2 VAL A 806 -15.027 -4.532 -4.973 1.00 0.00 C ATOM 0 H VAL A 806 -12.655 -6.317 -3.282 1.00 0.00 H new ATOM 0 HA VAL A 806 -13.533 -6.347 -6.111 1.00 0.00 H new ATOM 0 HB VAL A 806 -13.106 -4.135 -4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 806 -13.488 -2.497 -5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 806 -11.985 -3.418 -6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 806 -13.430 -3.801 -7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 806 -15.419 -3.532 -4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 806 -15.418 -4.906 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 806 -15.334 -5.197 -4.166 1.00 0.00 H new ATOM 1414 N GLY A 807 -11.280 -5.976 -7.029 1.00 0.00 N ATOM 1415 CA GLY A 807 -9.924 -6.023 -7.550 1.00 0.00 C ATOM 1416 C GLY A 807 -9.300 -4.652 -7.721 1.00 0.00 C ATOM 1417 O GLY A 807 -9.704 -3.874 -8.585 1.00 0.00 O ATOM 0 H GLY A 807 -12.013 -6.050 -7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -9.304 -6.616 -6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -9.929 -6.535 -8.512 1.00 0.00 H new ATOM 1421 N LEU A 808 -8.319 -4.362 -6.884 1.00 0.00 N ATOM 1422 CA LEU A 808 -7.587 -3.120 -6.925 1.00 0.00 C ATOM 1423 C LEU A 808 -6.487 -3.099 -7.974 1.00 0.00 C ATOM 1424 O LEU A 808 -5.596 -3.949 -7.986 1.00 0.00 O ATOM 1425 CB LEU A 808 -6.994 -2.855 -5.554 1.00 0.00 C ATOM 1426 CG LEU A 808 -7.945 -2.178 -4.583 1.00 0.00 C ATOM 1427 CD1 LEU A 808 -9.190 -3.004 -4.359 1.00 0.00 C ATOM 1428 CD2 LEU A 808 -7.250 -1.882 -3.265 1.00 0.00 C ATOM 0 H LEU A 808 -8.008 -4.996 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.292 -2.338 -7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -6.666 -3.801 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -6.106 -2.233 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 808 -8.253 -1.232 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -9.847 -2.489 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -9.709 -3.145 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -8.913 -3.975 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -7.951 -1.397 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -6.900 -2.814 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -6.400 -1.222 -3.442 1.00 0.00 H new ATOM 1440 N SER A 809 -6.572 -2.114 -8.851 1.00 0.00 N ATOM 1441 CA SER A 809 -5.497 -1.788 -9.766 1.00 0.00 C ATOM 1442 C SER A 809 -5.440 -0.268 -9.895 1.00 0.00 C ATOM 1443 O SER A 809 -6.057 0.324 -10.784 1.00 0.00 O ATOM 1444 CB SER A 809 -5.732 -2.450 -11.128 1.00 0.00 C ATOM 1445 OG SER A 809 -4.572 -2.386 -11.941 1.00 0.00 O ATOM 0 H SER A 809 -7.393 -1.516 -8.947 1.00 0.00 H new ATOM 0 HA SER A 809 -4.546 -2.163 -9.387 1.00 0.00 H new ATOM 0 HB2 SER A 809 -6.020 -3.491 -10.983 1.00 0.00 H new ATOM 0 HB3 SER A 809 -6.562 -1.958 -11.635 1.00 0.00 H new ATOM 0 HG SER A 809 -4.752 -2.817 -12.802 1.00 0.00 H new ATOM 1451 N GLN A 810 -4.704 0.350 -8.982 1.00 0.00 N ATOM 1452 CA GLN A 810 -4.684 1.801 -8.836 1.00 0.00 C ATOM 1453 C GLN A 810 -3.282 2.264 -8.402 1.00 0.00 C ATOM 1454 O GLN A 810 -2.417 1.413 -8.196 1.00 0.00 O ATOM 1455 CB GLN A 810 -5.782 2.210 -7.855 1.00 0.00 C ATOM 1456 CG GLN A 810 -6.869 3.050 -8.508 1.00 0.00 C ATOM 1457 CD GLN A 810 -8.155 3.043 -7.724 1.00 0.00 C ATOM 1458 OE1 GLN A 810 -9.048 2.243 -7.992 1.00 0.00 O ATOM 1459 NE2 GLN A 810 -8.251 3.918 -6.738 1.00 0.00 N ATOM 0 H GLN A 810 -4.103 -0.140 -8.320 1.00 0.00 H new ATOM 0 HA GLN A 810 -4.890 2.293 -9.787 1.00 0.00 H new ATOM 0 HB2 GLN A 810 -6.230 1.315 -7.424 1.00 0.00 H new ATOM 0 HB3 GLN A 810 -5.338 2.772 -7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 810 -6.517 4.076 -8.612 1.00 0.00 H new ATOM 0 HG3 GLN A 810 -7.059 2.674 -9.514 1.00 0.00 H new ATOM 0 HE21 GLN A 810 -7.483 4.563 -6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 810 -9.093 3.948 -6.163 1.00 0.00 H new ATOM 1468 N PRO A 811 -3.023 3.596 -8.286 1.00 0.00 N ATOM 1469 CA PRO A 811 -1.673 4.148 -8.054 1.00 0.00 C ATOM 1470 C PRO A 811 -0.814 3.385 -7.042 1.00 0.00 C ATOM 1471 O PRO A 811 -1.295 2.891 -6.020 1.00 0.00 O ATOM 1472 CB PRO A 811 -1.969 5.544 -7.517 1.00 0.00 C ATOM 1473 CG PRO A 811 -3.227 5.947 -8.198 1.00 0.00 C ATOM 1474 CD PRO A 811 -4.015 4.683 -8.428 1.00 0.00 C ATOM 0 HA PRO A 811 -1.086 4.101 -8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 811 -2.090 5.535 -6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 811 -1.157 6.236 -7.742 1.00 0.00 H new ATOM 0 HG2 PRO A 811 -3.792 6.650 -7.585 1.00 0.00 H new ATOM 0 HG3 PRO A 811 -3.013 6.448 -9.142 1.00 0.00 H new ATOM 0 HD2 PRO A 811 -4.822 4.581 -7.702 1.00 0.00 H new ATOM 0 HD3 PRO A 811 -4.473 4.675 -9.417 1.00 0.00 H new ATOM 1482 N ASP A 812 0.475 3.324 -7.354 1.00 0.00 N ATOM 1483 CA ASP A 812 1.458 2.589 -6.566 1.00 0.00 C ATOM 1484 C ASP A 812 2.611 3.499 -6.165 1.00 0.00 C ATOM 1485 O ASP A 812 2.736 4.618 -6.669 1.00 0.00 O ATOM 1486 CB ASP A 812 2.005 1.399 -7.355 1.00 0.00 C ATOM 1487 CG ASP A 812 2.468 1.780 -8.747 1.00 0.00 C ATOM 1488 OD1 ASP A 812 3.630 2.215 -8.902 1.00 0.00 O ATOM 1489 OD2 ASP A 812 1.667 1.644 -9.700 1.00 0.00 O ATOM 0 H ASP A 812 0.872 3.789 -8.171 1.00 0.00 H new ATOM 0 HA ASP A 812 0.959 2.223 -5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 812 2.838 0.958 -6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 812 1.233 0.633 -7.431 1.00 0.00 H new ATOM 1494 N ALA A 813 3.431 3.022 -5.242 1.00 0.00 N ATOM 1495 CA ALA A 813 4.599 3.773 -4.783 1.00 0.00 C ATOM 1496 C ALA A 813 5.871 2.971 -4.996 1.00 0.00 C ATOM 1497 O ALA A 813 5.825 1.749 -5.100 1.00 0.00 O ATOM 1498 CB ALA A 813 4.472 4.115 -3.313 1.00 0.00 C ATOM 0 H ALA A 813 3.312 2.115 -4.792 1.00 0.00 H new ATOM 0 HA ALA A 813 4.650 4.693 -5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 813 5.351 4.673 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.580 4.721 -3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 813 4.393 3.197 -2.731 1.00 0.00 H new ATOM 1504 N LYS A 814 7.005 3.649 -5.046 1.00 0.00 N ATOM 1505 CA LYS A 814 8.281 2.973 -5.140 1.00 0.00 C ATOM 1506 C LYS A 814 9.191 3.389 -3.993 1.00 0.00 C ATOM 1507 O LYS A 814 9.640 4.530 -3.914 1.00 0.00 O ATOM 1508 CB LYS A 814 8.959 3.254 -6.479 1.00 0.00 C ATOM 1509 CG LYS A 814 9.977 2.188 -6.847 1.00 0.00 C ATOM 1510 CD LYS A 814 10.598 2.419 -8.217 1.00 0.00 C ATOM 1511 CE LYS A 814 11.559 3.600 -8.225 1.00 0.00 C ATOM 1512 NZ LYS A 814 12.719 3.391 -7.314 1.00 0.00 N ATOM 0 H LYS A 814 7.065 4.667 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 814 8.095 1.901 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 814 8.202 3.315 -7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 814 9.453 4.225 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 814 10.765 2.168 -6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 814 9.496 1.210 -6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 814 11.129 1.520 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 814 9.807 2.592 -8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 814 11.922 3.764 -9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 814 11.025 4.502 -7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 13.524 3.964 -7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 12.458 3.677 -6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 12.986 2.386 -7.317 1.00 0.00 H new ATOM 1526 N ILE A 815 9.444 2.453 -3.108 1.00 0.00 N ATOM 1527 CA ILE A 815 10.331 2.656 -1.979 1.00 0.00 C ATOM 1528 C ILE A 815 11.738 2.214 -2.372 1.00 0.00 C ATOM 1529 O ILE A 815 11.973 1.034 -2.621 1.00 0.00 O ATOM 1530 CB ILE A 815 9.869 1.834 -0.755 1.00 0.00 C ATOM 1531 CG1 ILE A 815 8.432 2.192 -0.360 1.00 0.00 C ATOM 1532 CG2 ILE A 815 10.808 2.045 0.417 1.00 0.00 C ATOM 1533 CD1 ILE A 815 7.372 1.364 -1.060 1.00 0.00 C ATOM 0 H ILE A 815 9.037 1.519 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 815 10.319 3.712 -1.711 1.00 0.00 H new ATOM 0 HB ILE A 815 9.892 0.780 -1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 815 8.321 2.068 0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 815 8.258 3.245 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 815 10.465 1.457 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 815 11.813 1.728 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 815 10.822 3.101 0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 815 6.384 1.680 -0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 815 7.452 1.506 -2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 815 7.517 0.310 -0.821 1.00 0.00 H new ATOM 1545 N GLN A 816 12.666 3.151 -2.446 1.00 0.00 N ATOM 1546 CA GLN A 816 14.021 2.830 -2.862 1.00 0.00 C ATOM 1547 C GLN A 816 14.926 2.697 -1.643 1.00 0.00 C ATOM 1548 O GLN A 816 15.268 3.682 -0.992 1.00 0.00 O ATOM 1549 CB GLN A 816 14.556 3.900 -3.814 1.00 0.00 C ATOM 1550 CG GLN A 816 15.854 3.508 -4.501 1.00 0.00 C ATOM 1551 CD GLN A 816 17.089 4.061 -3.815 1.00 0.00 C ATOM 1552 OE1 GLN A 816 17.543 5.162 -4.121 1.00 0.00 O ATOM 1553 NE2 GLN A 816 17.647 3.304 -2.888 1.00 0.00 N ATOM 0 H GLN A 816 12.509 4.134 -2.225 1.00 0.00 H new ATOM 0 HA GLN A 816 14.008 1.877 -3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 816 13.802 4.110 -4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 816 14.714 4.824 -3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 816 15.923 2.421 -4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 816 15.832 3.860 -5.532 1.00 0.00 H new ATOM 0 HE21 GLN A 816 17.243 2.396 -2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 816 18.482 3.628 -2.400 1.00 0.00 H new ATOM 1562 N VAL A 817 15.316 1.476 -1.346 1.00 0.00 N ATOM 1563 CA VAL A 817 16.165 1.200 -0.201 1.00 0.00 C ATOM 1564 C VAL A 817 17.612 1.051 -0.655 1.00 0.00 C ATOM 1565 O VAL A 817 17.878 0.546 -1.744 1.00 0.00 O ATOM 1566 CB VAL A 817 15.698 -0.080 0.523 1.00 0.00 C ATOM 1567 CG1 VAL A 817 16.500 -0.341 1.791 1.00 0.00 C ATOM 1568 CG2 VAL A 817 14.216 0.022 0.833 1.00 0.00 C ATOM 0 H VAL A 817 15.057 0.650 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 817 16.095 2.034 0.497 1.00 0.00 H new ATOM 0 HB VAL A 817 15.870 -0.928 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 817 16.138 -1.251 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 817 17.554 -0.458 1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 817 16.383 0.499 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 817 13.888 -0.883 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 817 14.037 0.886 1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 817 13.657 0.137 -0.096 1.00 0.00 H new ATOM 1578 N ARG A 818 18.538 1.520 0.158 1.00 0.00 N ATOM 1579 CA ARG A 818 19.954 1.430 -0.153 1.00 0.00 C ATOM 1580 C ARG A 818 20.722 1.137 1.126 1.00 0.00 C ATOM 1581 O ARG A 818 20.123 1.044 2.182 1.00 0.00 O ATOM 1582 CB ARG A 818 20.433 2.742 -0.801 1.00 0.00 C ATOM 1583 CG ARG A 818 21.863 2.709 -1.326 1.00 0.00 C ATOM 1584 CD ARG A 818 22.038 1.630 -2.378 1.00 0.00 C ATOM 1585 NE ARG A 818 23.432 1.473 -2.778 1.00 0.00 N ATOM 1586 CZ ARG A 818 23.895 0.424 -3.450 1.00 0.00 C ATOM 1587 NH1 ARG A 818 23.071 -0.551 -3.814 1.00 0.00 N ATOM 1588 NH2 ARG A 818 25.185 0.348 -3.752 1.00 0.00 N ATOM 0 H ARG A 818 18.333 1.972 1.049 1.00 0.00 H new ATOM 0 HA ARG A 818 20.132 0.622 -0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 818 19.764 2.990 -1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 818 20.348 3.545 -0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 818 22.119 3.679 -1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 818 22.552 2.530 -0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 818 21.664 0.682 -1.990 1.00 0.00 H new ATOM 0 HD3 ARG A 818 21.436 1.876 -3.253 1.00 0.00 H new ATOM 0 HE ARG A 818 24.090 2.211 -2.527 1.00 0.00 H new ATOM 0 HH11 ARG A 818 22.080 -0.496 -3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 818 23.429 -1.355 -4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 818 25.820 1.094 -3.468 1.00 0.00 H new ATOM 0 HH22 ARG A 818 25.542 -0.457 -4.268 1.00 0.00 H new