USER MOD reduce.3.24.130724 H: found=0, std=0, add=1093, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1100 hydrogens (14 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 NoAdj-H: B 36 ALY H2 : B 36 ALY N : B 35 VAL C :(H bumps) USER MOD NoAdj-H: B 36 ALY H : B 36 ALY N : B 35 VAL C :(H bumps) USER MOD Set 1.1: A 799 CYS SG : rot 143:sc= -12.4! USER MOD Set 1.2: A 803 ASN : amide:sc= -1.36! X(o=-14!,f=-14) USER MOD Set 2.1: A 789 MET CE :methyl -150:sc= -10.4! (180deg=-11.2!) USER MOD Set 2.2: A 793 GLN :FLIP amide:sc= -2.71 F(o=-19!,f=-13) USER MOD Set 2.3: A 832 LYS NZ :NH3+ -118:sc= -0.197 (180deg=0) USER MOD Set 3.1: A 784 SER OG : rot 47:sc= 0.182 USER MOD Set 3.2: A 785 LYS NZ :NH3+ 156:sc= -1.28 (180deg=-0.845) USER MOD Set 3.3: A 786 LYS NZ :NH3+ -159:sc= -1.24 (180deg=0) USER MOD Set 4.1: A 773 MET CE :methyl -114:sc= -10.8! (180deg=-12.3!) USER MOD Set 4.2: A 782 TYR OH : rot -34:sc= -5.33! USER MOD Set 5.1: A 744 SER OG : rot -43:sc= 0.763 USER MOD Set 5.2: A 812 CYS SG : rot 90:sc= -0.506! USER MOD Set 6.1: A 733 LYS NZ :NH3+ -160:sc= -0.0232 (180deg=-0.112) USER MOD Set 6.2: A 737 GLN :FLIP amide:sc= -0.007 F(o=-1.2!,f=-0.03) USER MOD Set 7.1: A 716 SER OG : rot 90:sc= 0.553 USER MOD Set 7.2: A 717 HIS : no HD1:sc= 0.5 K(o=1.1,f=-0.067) USER MOD Single : A 718 MET CE :methyl 159:sc= -0.171 (180deg=-0.699) USER MOD Single : A 719 SER OG : rot 180:sc= 0 USER MOD Single : A 720 LYS NZ :NH3+ -124:sc= -0.201 (180deg=-2.04!) USER MOD Single : A 727 GLN :FLIP amide:sc= -0.181 F(o=-1.5!,f=-0.18) USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 731 THR OG1 : rot 98:sc= 1.22 USER MOD Single : A 734 SER OG : rot 180:sc= 0 USER MOD Single : A 738 GLN :FLIP amide:sc= -3.77! C(o=-8.8!,f=-3.8!) USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 SER OG : rot -18:sc= 0.232 USER MOD Single : A 742 HIS : no HD1:sc= -10.3! C(o=-10!,f=-19!) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 749 MET CE :methyl -125:sc= -3.02! (180deg=-6.97!) USER MOD Single : A 753 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0629) USER MOD Single : A 755 THR OG1 : rot 180:sc= 0 USER MOD Single : A 760 TYR OH : rot 180:sc= 0 USER MOD Single : A 761 TYR OH : rot 180:sc= 0 USER MOD Single : A 768 MET CE :methyl 137:sc= -7.89! (180deg=-12.6!) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 772 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 774 SER OG : rot -27:sc= -0.0144 USER MOD Single : A 778 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0437) USER MOD Single : A 779 ASN :FLIP amide:sc= -4.06! C(o=-8.5!,f=-4.1!) USER MOD Single : A 781 TYR OH : rot 180:sc= -0.939! USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -8.27! C(o=-8.3!,f=-14!) USER MOD Single : A 800 LYS NZ :NH3+ -170:sc= -1.93 (180deg=-2.32!) USER MOD Single : A 802 TYR OH : rot 76:sc= 1.3 USER MOD Single : A 807 SER OG : rot -75:sc= 1.54 USER MOD Single : A 809 TYR OH : rot -49:sc= -2.06! USER MOD Single : A 810 TYR OH : rot 127:sc= 0.011 USER MOD Single : A 811 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 814 ASN : amide:sc= -0.014 K(o=-0.014,f=-0.87!) USER MOD Single : A 818 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0457) USER MOD Single : A 822 SER OG : rot 180:sc= 0 USER MOD Single : A 823 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 SER OG : rot 37:sc= 0.441 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ -166:sc= -0.0355 (180deg=-0.234) USER MOD Single : B 39 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-4.6!) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ -167:sc= -0.121 (180deg=-0.351) USER MOD Single : B 43 CYS SG : rot 106:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 715 -32.565 15.144 -1.353 1.00 0.00 N ATOM 2 CA GLY A 715 -31.122 15.503 -1.274 1.00 0.00 C ATOM 3 C GLY A 715 -30.476 15.037 0.016 1.00 0.00 C ATOM 4 O GLY A 715 -29.989 15.851 0.802 1.00 0.00 O ATOM 0 HA2 GLY A 715 -30.595 15.062 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -31.015 16.584 -1.360 1.00 0.00 H new ATOM 10 N SER A 716 -30.473 13.726 0.234 1.00 0.00 N ATOM 11 CA SER A 716 -29.882 13.151 1.438 1.00 0.00 C ATOM 12 C SER A 716 -29.724 11.641 1.300 1.00 0.00 C ATOM 13 O SER A 716 -30.137 11.053 0.299 1.00 0.00 O ATOM 14 CB SER A 716 -30.743 13.476 2.659 1.00 0.00 C ATOM 15 OG SER A 716 -32.060 12.977 2.502 1.00 0.00 O ATOM 0 H SER A 716 -30.873 13.041 -0.407 1.00 0.00 H new ATOM 0 HA SER A 716 -28.893 13.590 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 716 -30.291 13.044 3.552 1.00 0.00 H new ATOM 0 HB3 SER A 716 -30.775 14.555 2.808 1.00 0.00 H new ATOM 0 HG SER A 716 -32.108 12.064 2.854 1.00 0.00 H new ATOM 21 N HIS A 717 -29.123 11.019 2.313 1.00 0.00 N ATOM 22 CA HIS A 717 -28.907 9.574 2.315 1.00 0.00 C ATOM 23 C HIS A 717 -28.100 9.137 1.095 1.00 0.00 C ATOM 24 O HIS A 717 -28.660 8.833 0.043 1.00 0.00 O ATOM 25 CB HIS A 717 -30.246 8.834 2.350 1.00 0.00 C ATOM 26 CG HIS A 717 -31.053 9.115 3.579 1.00 0.00 C ATOM 27 ND1 HIS A 717 -32.062 10.055 3.619 1.00 0.00 N ATOM 28 CD2 HIS A 717 -30.997 8.574 4.819 1.00 0.00 C ATOM 29 CE1 HIS A 717 -32.591 10.079 4.830 1.00 0.00 C ATOM 30 NE2 HIS A 717 -31.962 9.190 5.577 1.00 0.00 N ATOM 0 H HIS A 717 -28.776 11.496 3.145 1.00 0.00 H new ATOM 0 HA HIS A 717 -28.338 9.322 3.210 1.00 0.00 H new ATOM 0 HB2 HIS A 717 -30.828 9.112 1.471 1.00 0.00 H new ATOM 0 HB3 HIS A 717 -30.061 7.762 2.284 1.00 0.00 H new ATOM 0 HD2 HIS A 717 -30.319 7.801 5.150 1.00 0.00 H new ATOM 0 HE1 HIS A 717 -33.400 10.717 5.154 1.00 0.00 H new ATOM 0 HE2 HIS A 717 -32.161 8.993 6.558 1.00 0.00 H new ATOM 39 N MET A 718 -26.780 9.106 1.250 1.00 0.00 N ATOM 40 CA MET A 718 -25.891 8.706 0.165 1.00 0.00 C ATOM 41 C MET A 718 -25.259 7.348 0.450 1.00 0.00 C ATOM 42 O MET A 718 -25.180 6.918 1.601 1.00 0.00 O ATOM 43 CB MET A 718 -24.798 9.757 -0.033 1.00 0.00 C ATOM 44 CG MET A 718 -23.927 9.968 1.195 1.00 0.00 C ATOM 45 SD MET A 718 -22.670 11.237 0.949 1.00 0.00 S ATOM 46 CE MET A 718 -23.694 12.679 0.666 1.00 0.00 C ATOM 0 H MET A 718 -26.302 9.353 2.117 1.00 0.00 H new ATOM 0 HA MET A 718 -26.483 8.625 -0.747 1.00 0.00 H new ATOM 0 HB2 MET A 718 -24.166 9.459 -0.869 1.00 0.00 H new ATOM 0 HB3 MET A 718 -25.262 10.705 -0.306 1.00 0.00 H new ATOM 0 HG2 MET A 718 -24.558 10.247 2.039 1.00 0.00 H new ATOM 0 HG3 MET A 718 -23.442 9.028 1.457 1.00 0.00 H new ATOM 0 HE1 MET A 718 -23.116 13.581 0.866 1.00 0.00 H new ATOM 0 HE2 MET A 718 -24.033 12.687 -0.370 1.00 0.00 H new ATOM 0 HE3 MET A 718 -24.558 12.648 1.330 1.00 0.00 H new ATOM 56 N SER A 719 -24.813 6.674 -0.606 1.00 0.00 N ATOM 57 CA SER A 719 -24.187 5.365 -0.470 1.00 0.00 C ATOM 58 C SER A 719 -22.679 5.500 -0.291 1.00 0.00 C ATOM 59 O SER A 719 -22.068 6.448 -0.786 1.00 0.00 O ATOM 60 CB SER A 719 -24.491 4.499 -1.694 1.00 0.00 C ATOM 61 OG SER A 719 -25.883 4.264 -1.821 1.00 0.00 O ATOM 0 H SER A 719 -24.874 7.014 -1.566 1.00 0.00 H new ATOM 0 HA SER A 719 -24.599 4.884 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 719 -24.119 4.991 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 719 -23.965 3.548 -1.610 1.00 0.00 H new ATOM 0 HG SER A 719 -26.050 3.710 -2.612 1.00 0.00 H new ATOM 67 N LYS A 720 -22.086 4.542 0.415 1.00 0.00 N ATOM 68 CA LYS A 720 -20.662 4.541 0.671 1.00 0.00 C ATOM 69 C LYS A 720 -20.283 3.233 1.338 1.00 0.00 C ATOM 70 O LYS A 720 -21.149 2.500 1.814 1.00 0.00 O ATOM 71 CB LYS A 720 -20.267 5.717 1.551 1.00 0.00 C ATOM 72 CG LYS A 720 -18.786 6.044 1.503 1.00 0.00 C ATOM 73 CD LYS A 720 -18.456 7.256 2.358 1.00 0.00 C ATOM 74 CE LYS A 720 -16.956 7.459 2.475 1.00 0.00 C ATOM 75 NZ LYS A 720 -16.332 7.772 1.159 1.00 0.00 N ATOM 0 H LYS A 720 -22.583 3.750 0.822 1.00 0.00 H new ATOM 0 HA LYS A 720 -20.129 4.641 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -20.834 6.596 1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -20.549 5.499 2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -18.211 5.185 1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -18.487 6.232 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -18.912 8.145 1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -18.886 7.130 3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -16.753 8.270 3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -16.499 6.560 2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -15.578 7.084 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -17.053 7.720 0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -15.929 8.730 1.185 1.00 0.00 H new ATOM 89 N GLU A 721 -18.997 2.942 1.369 1.00 0.00 N ATOM 90 CA GLU A 721 -18.514 1.713 1.972 1.00 0.00 C ATOM 91 C GLU A 721 -19.084 0.498 1.246 1.00 0.00 C ATOM 92 O GLU A 721 -20.186 0.034 1.539 1.00 0.00 O ATOM 93 CB GLU A 721 -18.864 1.661 3.456 1.00 0.00 C ATOM 94 CG GLU A 721 -18.331 0.429 4.170 1.00 0.00 C ATOM 95 CD GLU A 721 -18.708 0.402 5.638 1.00 0.00 C ATOM 96 OE1 GLU A 721 -19.869 0.060 5.946 1.00 0.00 O ATOM 97 OE2 GLU A 721 -17.844 0.726 6.479 1.00 0.00 O ATOM 0 H GLU A 721 -18.266 3.540 0.983 1.00 0.00 H new ATOM 0 HA GLU A 721 -17.428 1.694 1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 721 -18.469 2.552 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 721 -19.948 1.692 3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 721 -18.718 -0.466 3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 721 -17.245 0.399 4.076 1.00 0.00 H new ATOM 104 N PRO A 722 -18.314 -0.020 0.283 1.00 0.00 N ATOM 105 CA PRO A 722 -18.688 -1.182 -0.533 1.00 0.00 C ATOM 106 C PRO A 722 -19.044 -2.399 0.321 1.00 0.00 C ATOM 107 O PRO A 722 -20.081 -3.029 0.118 1.00 0.00 O ATOM 108 CB PRO A 722 -17.428 -1.429 -1.357 1.00 0.00 C ATOM 109 CG PRO A 722 -16.796 -0.095 -1.425 1.00 0.00 C ATOM 110 CD PRO A 722 -16.999 0.497 -0.089 1.00 0.00 C ATOM 0 HA PRO A 722 -19.579 -1.007 -1.136 1.00 0.00 H new ATOM 0 HB2 PRO A 722 -16.774 -2.160 -0.881 1.00 0.00 H new ATOM 0 HB3 PRO A 722 -17.666 -1.812 -2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 722 -15.735 -0.173 -1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 722 -17.253 0.518 -2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 722 -16.226 0.188 0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 722 -16.984 1.586 -0.120 1.00 0.00 H new ATOM 118 N ARG A 723 -18.168 -2.711 1.280 1.00 0.00 N ATOM 119 CA ARG A 723 -18.359 -3.836 2.203 1.00 0.00 C ATOM 120 C ARG A 723 -18.287 -5.194 1.512 1.00 0.00 C ATOM 121 O ARG A 723 -17.369 -5.972 1.770 1.00 0.00 O ATOM 122 CB ARG A 723 -19.678 -3.716 2.955 1.00 0.00 C ATOM 123 CG ARG A 723 -19.785 -4.734 4.069 1.00 0.00 C ATOM 124 CD ARG A 723 -18.854 -4.399 5.223 1.00 0.00 C ATOM 125 NE ARG A 723 -19.326 -3.256 5.998 1.00 0.00 N ATOM 126 CZ ARG A 723 -18.806 -2.894 7.168 1.00 0.00 C ATOM 127 NH1 ARG A 723 -17.788 -3.570 7.684 1.00 0.00 N ATOM 128 NH2 ARG A 723 -19.305 -1.853 7.822 1.00 0.00 N ATOM 0 H ARG A 723 -17.305 -2.191 1.439 1.00 0.00 H new ATOM 0 HA ARG A 723 -17.531 -3.782 2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 723 -19.770 -2.712 3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 723 -20.506 -3.850 2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 723 -20.813 -4.773 4.429 1.00 0.00 H new ATOM 0 HG3 ARG A 723 -19.545 -5.724 3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 723 -18.762 -5.266 5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 723 -17.858 -4.186 4.834 1.00 0.00 H new ATOM 0 HE ARG A 723 -20.097 -2.704 5.622 1.00 0.00 H new ATOM 0 HH11 ARG A 723 -17.401 -4.370 7.184 1.00 0.00 H new ATOM 0 HH12 ARG A 723 -17.392 -3.290 8.581 1.00 0.00 H new ATOM 0 HH21 ARG A 723 -20.087 -1.330 7.428 1.00 0.00 H new ATOM 0 HH22 ARG A 723 -18.906 -1.575 8.719 1.00 0.00 H new ATOM 142 N ASP A 724 -19.266 -5.491 0.664 1.00 0.00 N ATOM 143 CA ASP A 724 -19.300 -6.767 -0.044 1.00 0.00 C ATOM 144 C ASP A 724 -17.928 -7.102 -0.626 1.00 0.00 C ATOM 145 O ASP A 724 -17.158 -6.212 -0.985 1.00 0.00 O ATOM 146 CB ASP A 724 -20.377 -6.731 -1.122 1.00 0.00 C ATOM 147 CG ASP A 724 -20.539 -8.022 -1.899 1.00 0.00 C ATOM 148 OD1 ASP A 724 -21.226 -8.935 -1.394 1.00 0.00 O ATOM 149 OD2 ASP A 724 -19.996 -8.117 -3.017 1.00 0.00 O ATOM 0 H ASP A 724 -20.045 -4.868 0.450 1.00 0.00 H new ATOM 0 HA ASP A 724 -19.551 -7.560 0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 724 -21.330 -6.481 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -20.145 -5.928 -1.822 1.00 0.00 H new ATOM 154 N PRO A 725 -17.617 -8.401 -0.726 1.00 0.00 N ATOM 155 CA PRO A 725 -16.333 -8.892 -1.199 1.00 0.00 C ATOM 156 C PRO A 725 -16.214 -8.834 -2.716 1.00 0.00 C ATOM 157 O PRO A 725 -15.111 -8.831 -3.259 1.00 0.00 O ATOM 158 CB PRO A 725 -16.289 -10.341 -0.672 1.00 0.00 C ATOM 159 CG PRO A 725 -17.566 -10.537 0.088 1.00 0.00 C ATOM 160 CD PRO A 725 -18.514 -9.502 -0.434 1.00 0.00 C ATOM 0 HA PRO A 725 -15.499 -8.286 -0.845 1.00 0.00 H new ATOM 0 HB2 PRO A 725 -16.209 -11.054 -1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 725 -15.423 -10.497 -0.029 1.00 0.00 H new ATOM 0 HG2 PRO A 725 -17.961 -11.541 -0.064 1.00 0.00 H new ATOM 0 HG3 PRO A 725 -17.406 -10.416 1.159 1.00 0.00 H new ATOM 0 HD2 PRO A 725 -19.045 -9.844 -1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 725 -19.269 -9.230 0.303 1.00 0.00 H new ATOM 168 N ASP A 726 -17.357 -8.791 -3.393 1.00 0.00 N ATOM 169 CA ASP A 726 -17.389 -8.700 -4.846 1.00 0.00 C ATOM 170 C ASP A 726 -17.475 -7.236 -5.229 1.00 0.00 C ATOM 171 O ASP A 726 -16.855 -6.788 -6.194 1.00 0.00 O ATOM 172 CB ASP A 726 -18.580 -9.473 -5.417 1.00 0.00 C ATOM 173 CG ASP A 726 -18.642 -10.901 -4.912 1.00 0.00 C ATOM 174 OD1 ASP A 726 -17.999 -11.777 -5.529 1.00 0.00 O ATOM 175 OD2 ASP A 726 -19.331 -11.143 -3.900 1.00 0.00 O ATOM 0 H ASP A 726 -18.277 -8.818 -2.954 1.00 0.00 H new ATOM 0 HA ASP A 726 -16.484 -9.144 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -19.504 -8.958 -5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -18.517 -9.478 -6.505 1.00 0.00 H new ATOM 180 N GLN A 727 -18.261 -6.496 -4.449 1.00 0.00 N ATOM 181 CA GLN A 727 -18.414 -5.069 -4.649 1.00 0.00 C ATOM 182 C GLN A 727 -17.048 -4.429 -4.529 1.00 0.00 C ATOM 183 O GLN A 727 -16.630 -3.661 -5.386 1.00 0.00 O ATOM 184 CB GLN A 727 -19.377 -4.493 -3.607 1.00 0.00 C ATOM 185 CG GLN A 727 -20.829 -4.836 -3.890 1.00 0.00 C ATOM 186 CD GLN A 727 -21.796 -4.127 -2.958 1.00 0.00 C ATOM 187 OE1 GLN A 727 -21.432 -2.927 -2.521 1.00 0.00 O flip ATOM 188 NE2 GLN A 727 -22.863 -4.652 -2.639 1.00 0.00 N flip ATOM 0 H GLN A 727 -18.802 -6.871 -3.670 1.00 0.00 H new ATOM 0 HA GLN A 727 -18.831 -4.865 -5.635 1.00 0.00 H new ATOM 0 HB2 GLN A 727 -19.105 -4.870 -2.621 1.00 0.00 H new ATOM 0 HB3 GLN A 727 -19.264 -3.409 -3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 727 -21.065 -4.571 -4.921 1.00 0.00 H new ATOM 0 HG3 GLN A 727 -20.967 -5.913 -3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 727 -23.104 -5.576 -2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 727 -23.506 -4.163 -2.016 1.00 0.00 H new ATOM 197 N LEU A 728 -16.349 -4.803 -3.463 1.00 0.00 N ATOM 198 CA LEU A 728 -15.004 -4.319 -3.195 1.00 0.00 C ATOM 199 C LEU A 728 -14.055 -4.871 -4.225 1.00 0.00 C ATOM 200 O LEU A 728 -13.369 -4.127 -4.902 1.00 0.00 O ATOM 201 CB LEU A 728 -14.572 -4.770 -1.811 1.00 0.00 C ATOM 202 CG LEU A 728 -15.136 -3.943 -0.681 1.00 0.00 C ATOM 203 CD1 LEU A 728 -14.997 -4.673 0.642 1.00 0.00 C ATOM 204 CD2 LEU A 728 -14.410 -2.626 -0.627 1.00 0.00 C ATOM 0 H LEU A 728 -16.702 -5.452 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 728 -14.993 -3.230 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 728 -14.873 -5.808 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 728 -13.484 -4.743 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 728 -16.197 -3.771 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 728 -15.410 -4.058 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 728 -15.538 -5.618 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 728 -13.943 -4.868 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 728 -14.812 -2.022 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 728 -13.348 -2.803 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 728 -14.544 -2.098 -1.571 1.00 0.00 H new ATOM 216 N TYR A 729 -14.045 -6.182 -4.367 1.00 0.00 N ATOM 217 CA TYR A 729 -13.172 -6.816 -5.329 1.00 0.00 C ATOM 218 C TYR A 729 -13.049 -5.976 -6.573 1.00 0.00 C ATOM 219 O TYR A 729 -11.975 -5.468 -6.868 1.00 0.00 O ATOM 220 CB TYR A 729 -13.732 -8.189 -5.692 1.00 0.00 C ATOM 221 CG TYR A 729 -13.470 -8.620 -7.112 1.00 0.00 C ATOM 222 CD1 TYR A 729 -12.185 -8.798 -7.517 1.00 0.00 C ATOM 223 CD2 TYR A 729 -14.489 -8.862 -8.022 1.00 0.00 C ATOM 224 CE1 TYR A 729 -11.867 -9.203 -8.786 1.00 0.00 C ATOM 225 CE2 TYR A 729 -14.199 -9.272 -9.313 1.00 0.00 C ATOM 226 CZ TYR A 729 -12.879 -9.442 -9.692 1.00 0.00 C ATOM 227 OH TYR A 729 -12.577 -9.850 -10.971 1.00 0.00 O ATOM 0 H TYR A 729 -14.629 -6.824 -3.831 1.00 0.00 H new ATOM 0 HA TYR A 729 -12.182 -6.924 -4.886 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -13.305 -8.931 -5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -14.808 -8.184 -5.521 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -11.387 -8.614 -6.813 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -15.518 -8.730 -7.721 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -10.834 -9.334 -9.074 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -14.996 -9.457 -10.018 1.00 0.00 H new ATOM 0 HH TYR A 729 -13.406 -9.975 -11.479 1.00 0.00 H new ATOM 237 N SER A 730 -14.143 -5.758 -7.271 1.00 0.00 N ATOM 238 CA SER A 730 -14.048 -4.989 -8.478 1.00 0.00 C ATOM 239 C SER A 730 -14.100 -3.492 -8.240 1.00 0.00 C ATOM 240 O SER A 730 -13.720 -2.716 -9.118 1.00 0.00 O ATOM 241 CB SER A 730 -14.985 -5.465 -9.559 1.00 0.00 C ATOM 242 OG SER A 730 -15.572 -4.379 -10.256 1.00 0.00 O ATOM 0 H SER A 730 -15.076 -6.092 -7.029 1.00 0.00 H new ATOM 0 HA SER A 730 -13.048 -5.176 -8.868 1.00 0.00 H new ATOM 0 HB2 SER A 730 -14.441 -6.097 -10.261 1.00 0.00 H new ATOM 0 HB3 SER A 730 -15.768 -6.081 -9.117 1.00 0.00 H new ATOM 0 HG SER A 730 -16.172 -4.722 -10.951 1.00 0.00 H new ATOM 248 N THR A 731 -14.568 -3.067 -7.069 1.00 0.00 N ATOM 249 CA THR A 731 -14.565 -1.643 -6.777 1.00 0.00 C ATOM 250 C THR A 731 -13.124 -1.261 -6.765 1.00 0.00 C ATOM 251 O THR A 731 -12.640 -0.484 -7.583 1.00 0.00 O ATOM 252 CB THR A 731 -15.179 -1.316 -5.401 1.00 0.00 C ATOM 253 OG1 THR A 731 -16.600 -1.177 -5.520 1.00 0.00 O ATOM 254 CG2 THR A 731 -14.593 -0.034 -4.816 1.00 0.00 C ATOM 0 H THR A 731 -14.941 -3.666 -6.333 1.00 0.00 H new ATOM 0 HA THR A 731 -15.161 -1.105 -7.514 1.00 0.00 H new ATOM 0 HB THR A 731 -14.941 -2.140 -4.728 1.00 0.00 H new ATOM 0 HG1 THR A 731 -17.034 -2.014 -5.254 1.00 0.00 H new ATOM 0 HG21 THR A 731 -15.049 0.165 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 731 -13.516 -0.149 -4.694 1.00 0.00 H new ATOM 0 HG23 THR A 731 -14.795 0.799 -5.490 1.00 0.00 H new ATOM 262 N LEU A 732 -12.462 -1.906 -5.840 1.00 0.00 N ATOM 263 CA LEU A 732 -11.057 -1.787 -5.634 1.00 0.00 C ATOM 264 C LEU A 732 -10.315 -2.156 -6.909 1.00 0.00 C ATOM 265 O LEU A 732 -9.253 -1.618 -7.196 1.00 0.00 O ATOM 266 CB LEU A 732 -10.659 -2.734 -4.528 1.00 0.00 C ATOM 267 CG LEU A 732 -11.567 -2.806 -3.303 1.00 0.00 C ATOM 268 CD1 LEU A 732 -11.390 -4.141 -2.651 1.00 0.00 C ATOM 269 CD2 LEU A 732 -11.239 -1.713 -2.324 1.00 0.00 C ATOM 0 H LEU A 732 -12.911 -2.551 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 732 -10.805 -0.761 -5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 732 -10.586 -3.735 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 732 -9.660 -2.457 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 732 -12.602 -2.675 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 732 -12.034 -4.206 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 732 -11.657 -4.928 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 732 -10.350 -4.263 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 732 -11.900 -1.787 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 732 -10.204 -1.815 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 732 -11.375 -0.743 -2.803 1.00 0.00 H new ATOM 281 N LYS A 733 -10.885 -3.089 -7.674 1.00 0.00 N ATOM 282 CA LYS A 733 -10.272 -3.517 -8.928 1.00 0.00 C ATOM 283 C LYS A 733 -10.054 -2.302 -9.795 1.00 0.00 C ATOM 284 O LYS A 733 -9.137 -2.253 -10.601 1.00 0.00 O ATOM 285 CB LYS A 733 -11.158 -4.540 -9.637 1.00 0.00 C ATOM 286 CG LYS A 733 -10.688 -4.976 -11.003 1.00 0.00 C ATOM 287 CD LYS A 733 -10.945 -6.449 -11.203 1.00 0.00 C ATOM 288 CE LYS A 733 -9.658 -7.222 -11.083 1.00 0.00 C ATOM 289 NZ LYS A 733 -8.761 -7.005 -12.253 1.00 0.00 N ATOM 0 H LYS A 733 -11.762 -3.558 -7.448 1.00 0.00 H new ATOM 0 HA LYS A 733 -9.314 -3.997 -8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 733 -11.242 -5.423 -9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -12.160 -4.121 -9.734 1.00 0.00 H new ATOM 0 HG2 LYS A 733 -11.205 -4.403 -11.772 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -9.624 -4.768 -11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -11.662 -6.804 -10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -11.389 -6.618 -12.184 1.00 0.00 H new ATOM 0 HE2 LYS A 733 -9.141 -6.925 -10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -9.882 -8.285 -10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 -8.070 -7.780 -12.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 -9.327 -6.983 -13.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 -8.259 -6.101 -12.143 1.00 0.00 H new ATOM 303 N SER A 734 -10.893 -1.303 -9.572 1.00 0.00 N ATOM 304 CA SER A 734 -10.819 -0.056 -10.317 1.00 0.00 C ATOM 305 C SER A 734 -9.848 0.881 -9.629 1.00 0.00 C ATOM 306 O SER A 734 -8.968 1.442 -10.281 1.00 0.00 O ATOM 307 CB SER A 734 -12.199 0.594 -10.437 1.00 0.00 C ATOM 308 OG SER A 734 -12.138 1.782 -11.207 1.00 0.00 O ATOM 0 H SER A 734 -11.638 -1.332 -8.876 1.00 0.00 H new ATOM 0 HA SER A 734 -10.465 -0.267 -11.326 1.00 0.00 H new ATOM 0 HB2 SER A 734 -12.895 -0.106 -10.898 1.00 0.00 H new ATOM 0 HB3 SER A 734 -12.585 0.820 -9.443 1.00 0.00 H new ATOM 0 HG SER A 734 -13.033 2.177 -11.270 1.00 0.00 H new ATOM 314 N ILE A 735 -10.008 1.070 -8.311 1.00 0.00 N ATOM 315 CA ILE A 735 -9.082 1.914 -7.590 1.00 0.00 C ATOM 316 C ILE A 735 -7.691 1.439 -7.923 1.00 0.00 C ATOM 317 O ILE A 735 -6.937 2.144 -8.569 1.00 0.00 O ATOM 318 CB ILE A 735 -9.308 1.905 -6.067 1.00 0.00 C ATOM 319 CG1 ILE A 735 -10.693 2.452 -5.787 1.00 0.00 C ATOM 320 CG2 ILE A 735 -8.260 2.777 -5.371 1.00 0.00 C ATOM 321 CD1 ILE A 735 -11.766 1.422 -5.816 1.00 0.00 C ATOM 0 H ILE A 735 -10.752 0.657 -7.748 1.00 0.00 H new ATOM 0 HA ILE A 735 -9.237 2.948 -7.898 1.00 0.00 H new ATOM 0 HB ILE A 735 -9.218 0.887 -5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 735 -10.692 2.934 -4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 735 -10.924 3.223 -6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 735 -8.431 2.762 -4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 735 -7.264 2.390 -5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 735 -8.338 3.801 -5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 735 -12.727 1.892 -5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 735 -11.797 0.956 -6.801 1.00 0.00 H new ATOM 0 HD13 ILE A 735 -11.561 0.662 -5.062 1.00 0.00 H new ATOM 333 N LEU A 736 -7.398 0.202 -7.541 1.00 0.00 N ATOM 334 CA LEU A 736 -6.114 -0.414 -7.838 1.00 0.00 C ATOM 335 C LEU A 736 -5.705 -0.087 -9.258 1.00 0.00 C ATOM 336 O LEU A 736 -4.676 0.536 -9.495 1.00 0.00 O ATOM 337 CB LEU A 736 -6.218 -1.931 -7.691 1.00 0.00 C ATOM 338 CG LEU A 736 -5.173 -2.560 -6.800 1.00 0.00 C ATOM 339 CD1 LEU A 736 -5.426 -4.029 -6.749 1.00 0.00 C ATOM 340 CD2 LEU A 736 -3.779 -2.230 -7.265 1.00 0.00 C ATOM 0 H LEU A 736 -8.039 -0.397 -7.021 1.00 0.00 H new ATOM 0 HA LEU A 736 -5.370 -0.028 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -7.204 -2.176 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -6.149 -2.382 -8.681 1.00 0.00 H new ATOM 0 HG LEU A 736 -5.248 -2.153 -5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -4.682 -4.504 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -6.422 -4.213 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -5.360 -4.445 -7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -3.053 -2.699 -6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -3.636 -2.602 -8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -3.637 -1.149 -7.252 1.00 0.00 H new ATOM 352 N GLN A 737 -6.545 -0.515 -10.187 1.00 0.00 N ATOM 353 CA GLN A 737 -6.331 -0.286 -11.612 1.00 0.00 C ATOM 354 C GLN A 737 -5.902 1.153 -11.886 1.00 0.00 C ATOM 355 O GLN A 737 -5.122 1.420 -12.798 1.00 0.00 O ATOM 356 CB GLN A 737 -7.621 -0.613 -12.370 1.00 0.00 C ATOM 357 CG GLN A 737 -7.668 -2.025 -12.914 1.00 0.00 C ATOM 358 CD GLN A 737 -8.912 -2.299 -13.737 1.00 0.00 C ATOM 359 OE1 GLN A 737 -9.425 -1.271 -14.402 1.00 0.00 O flip ATOM 360 NE2 GLN A 737 -9.407 -3.426 -13.775 1.00 0.00 N flip ATOM 0 H GLN A 737 -7.398 -1.033 -9.976 1.00 0.00 H new ATOM 0 HA GLN A 737 -5.527 -0.936 -11.955 1.00 0.00 H new ATOM 0 HB2 GLN A 737 -8.471 -0.461 -11.705 1.00 0.00 H new ATOM 0 HB3 GLN A 737 -7.734 0.089 -13.196 1.00 0.00 H new ATOM 0 HG2 GLN A 737 -6.785 -2.202 -13.529 1.00 0.00 H new ATOM 0 HG3 GLN A 737 -7.625 -2.730 -12.084 1.00 0.00 H new ATOM 0 HE21 GLN A 737 -8.980 -4.188 -13.248 1.00 0.00 H new ATOM 0 HE22 GLN A 737 -10.243 -3.597 -14.333 1.00 0.00 H new ATOM 369 N GLN A 738 -6.406 2.064 -11.070 1.00 0.00 N ATOM 370 CA GLN A 738 -6.109 3.485 -11.208 1.00 0.00 C ATOM 371 C GLN A 738 -4.805 3.881 -10.504 1.00 0.00 C ATOM 372 O GLN A 738 -3.911 4.460 -11.119 1.00 0.00 O ATOM 373 CB GLN A 738 -7.274 4.289 -10.642 1.00 0.00 C ATOM 374 CG GLN A 738 -8.528 4.179 -11.488 1.00 0.00 C ATOM 375 CD GLN A 738 -9.769 4.658 -10.762 1.00 0.00 C ATOM 376 OE1 GLN A 738 -9.792 4.469 -9.449 1.00 0.00 O flip ATOM 377 NE2 GLN A 738 -10.697 5.186 -11.375 1.00 0.00 N flip ATOM 0 H GLN A 738 -7.031 1.843 -10.295 1.00 0.00 H new ATOM 0 HA GLN A 738 -5.974 3.701 -12.268 1.00 0.00 H new ATOM 0 HB2 GLN A 738 -7.491 3.943 -9.631 1.00 0.00 H new ATOM 0 HB3 GLN A 738 -6.983 5.337 -10.565 1.00 0.00 H new ATOM 0 HG2 GLN A 738 -8.398 4.762 -12.400 1.00 0.00 H new ATOM 0 HG3 GLN A 738 -8.667 3.141 -11.790 1.00 0.00 H new ATOM 0 HE21 GLN A 738 -10.635 5.311 -12.385 1.00 0.00 H new ATOM 0 HE22 GLN A 738 -11.528 5.499 -10.872 1.00 0.00 H new ATOM 386 N VAL A 739 -4.712 3.569 -9.214 1.00 0.00 N ATOM 387 CA VAL A 739 -3.552 3.888 -8.410 1.00 0.00 C ATOM 388 C VAL A 739 -2.302 3.322 -9.045 1.00 0.00 C ATOM 389 O VAL A 739 -1.228 3.892 -8.921 1.00 0.00 O ATOM 390 CB VAL A 739 -3.694 3.327 -6.973 1.00 0.00 C ATOM 391 CG1 VAL A 739 -5.127 3.003 -6.616 1.00 0.00 C ATOM 392 CG2 VAL A 739 -2.806 2.124 -6.795 1.00 0.00 C ATOM 0 H VAL A 739 -5.448 3.085 -8.701 1.00 0.00 H new ATOM 0 HA VAL A 739 -3.476 4.974 -8.356 1.00 0.00 H new ATOM 0 HB VAL A 739 -3.374 4.109 -6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 739 -5.169 2.614 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 739 -5.732 3.907 -6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 739 -5.514 2.255 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 739 -2.914 1.739 -5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 739 -3.092 1.352 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 739 -1.768 2.410 -6.965 1.00 0.00 H new ATOM 402 N LYS A 740 -2.442 2.184 -9.702 1.00 0.00 N ATOM 403 CA LYS A 740 -1.309 1.571 -10.356 1.00 0.00 C ATOM 404 C LYS A 740 -1.115 2.219 -11.711 1.00 0.00 C ATOM 405 O LYS A 740 -0.008 2.568 -12.079 1.00 0.00 O ATOM 406 CB LYS A 740 -1.476 0.068 -10.465 1.00 0.00 C ATOM 407 CG LYS A 740 -2.620 -0.308 -11.330 1.00 0.00 C ATOM 408 CD LYS A 740 -3.188 -1.676 -10.981 1.00 0.00 C ATOM 409 CE LYS A 740 -2.516 -2.785 -11.771 1.00 0.00 C ATOM 410 NZ LYS A 740 -3.507 -3.757 -12.312 1.00 0.00 N ATOM 0 H LYS A 740 -3.320 1.674 -9.794 1.00 0.00 H new ATOM 0 HA LYS A 740 -0.414 1.734 -9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -0.561 -0.369 -10.865 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -1.622 -0.353 -9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -3.405 0.443 -11.236 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -2.300 -0.306 -12.372 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -3.060 -1.861 -9.914 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -4.260 -1.686 -11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -1.946 -2.352 -12.593 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -1.806 -3.308 -11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -3.010 -4.499 -12.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -4.034 -4.189 -11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -4.170 -3.262 -12.943 1.00 0.00 H new ATOM 424 N SER A 741 -2.201 2.426 -12.446 1.00 0.00 N ATOM 425 CA SER A 741 -2.088 3.085 -13.734 1.00 0.00 C ATOM 426 C SER A 741 -1.455 4.456 -13.529 1.00 0.00 C ATOM 427 O SER A 741 -1.040 5.123 -14.477 1.00 0.00 O ATOM 428 CB SER A 741 -3.454 3.227 -14.400 1.00 0.00 C ATOM 429 OG SER A 741 -4.282 4.127 -13.686 1.00 0.00 O ATOM 0 H SER A 741 -3.147 2.153 -12.178 1.00 0.00 H new ATOM 0 HA SER A 741 -1.463 2.481 -14.391 1.00 0.00 H new ATOM 0 HB2 SER A 741 -3.327 3.580 -15.424 1.00 0.00 H new ATOM 0 HB3 SER A 741 -3.937 2.251 -14.456 1.00 0.00 H new ATOM 0 HG SER A 741 -3.930 4.246 -12.779 1.00 0.00 H new ATOM 435 N HIS A 742 -1.394 4.857 -12.259 1.00 0.00 N ATOM 436 CA HIS A 742 -0.818 6.129 -11.856 1.00 0.00 C ATOM 437 C HIS A 742 0.649 6.237 -12.282 1.00 0.00 C ATOM 438 O HIS A 742 1.397 5.262 -12.242 1.00 0.00 O ATOM 439 CB HIS A 742 -0.951 6.288 -10.333 1.00 0.00 C ATOM 440 CG HIS A 742 -0.567 7.642 -9.822 1.00 0.00 C ATOM 441 ND1 HIS A 742 0.375 8.449 -10.419 1.00 0.00 N ATOM 442 CD2 HIS A 742 -1.020 8.333 -8.760 1.00 0.00 C ATOM 443 CE1 HIS A 742 0.482 9.575 -9.748 1.00 0.00 C ATOM 444 NE2 HIS A 742 -0.356 9.534 -8.734 1.00 0.00 N ATOM 0 H HIS A 742 -1.747 4.301 -11.480 1.00 0.00 H new ATOM 0 HA HIS A 742 -1.362 6.932 -12.354 1.00 0.00 H new ATOM 0 HB2 HIS A 742 -1.982 6.083 -10.046 1.00 0.00 H new ATOM 0 HB3 HIS A 742 -0.329 5.538 -9.845 1.00 0.00 H new ATOM 0 HD2 HIS A 742 -1.770 8.003 -8.056 1.00 0.00 H new ATOM 0 HE1 HIS A 742 1.144 10.394 -9.988 1.00 0.00 H new ATOM 0 HE2 HIS A 742 -0.490 10.272 -8.043 1.00 0.00 H new ATOM 453 N GLN A 743 1.038 7.436 -12.703 1.00 0.00 N ATOM 454 CA GLN A 743 2.401 7.723 -13.131 1.00 0.00 C ATOM 455 C GLN A 743 3.403 7.577 -11.978 1.00 0.00 C ATOM 456 O GLN A 743 4.613 7.625 -12.184 1.00 0.00 O ATOM 457 CB GLN A 743 2.455 9.139 -13.686 1.00 0.00 C ATOM 458 CG GLN A 743 3.782 9.470 -14.319 1.00 0.00 C ATOM 459 CD GLN A 743 3.946 10.948 -14.610 1.00 0.00 C ATOM 460 OE1 GLN A 743 3.594 11.422 -15.690 1.00 0.00 O ATOM 461 NE2 GLN A 743 4.482 11.686 -13.646 1.00 0.00 N ATOM 0 H GLN A 743 0.412 8.240 -12.757 1.00 0.00 H new ATOM 0 HA GLN A 743 2.680 7.002 -13.899 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.664 9.265 -14.425 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.255 9.847 -12.882 1.00 0.00 H new ATOM 0 HG2 GLN A 743 4.585 9.144 -13.658 1.00 0.00 H new ATOM 0 HG3 GLN A 743 3.886 8.909 -15.248 1.00 0.00 H new ATOM 0 HE21 GLN A 743 4.760 11.252 -12.766 1.00 0.00 H new ATOM 0 HE22 GLN A 743 4.616 12.687 -13.785 1.00 0.00 H new ATOM 470 N SER A 744 2.885 7.411 -10.770 1.00 0.00 N ATOM 471 CA SER A 744 3.718 7.250 -9.575 1.00 0.00 C ATOM 472 C SER A 744 3.631 5.831 -9.071 1.00 0.00 C ATOM 473 O SER A 744 4.085 5.505 -7.975 1.00 0.00 O ATOM 474 CB SER A 744 3.255 8.207 -8.472 1.00 0.00 C ATOM 475 OG SER A 744 3.872 9.476 -8.598 1.00 0.00 O ATOM 0 H SER A 744 1.882 7.383 -10.585 1.00 0.00 H new ATOM 0 HA SER A 744 4.750 7.479 -9.840 1.00 0.00 H new ATOM 0 HB2 SER A 744 2.172 8.321 -8.518 1.00 0.00 H new ATOM 0 HB3 SER A 744 3.490 7.781 -7.496 1.00 0.00 H new ATOM 0 HG SER A 744 4.824 9.358 -8.798 1.00 0.00 H new ATOM 481 N ALA A 745 3.034 4.997 -9.884 1.00 0.00 N ATOM 482 CA ALA A 745 2.823 3.617 -9.533 1.00 0.00 C ATOM 483 C ALA A 745 3.802 2.651 -10.178 1.00 0.00 C ATOM 484 O ALA A 745 3.781 1.469 -9.857 1.00 0.00 O ATOM 485 CB ALA A 745 1.424 3.252 -9.948 1.00 0.00 C ATOM 0 H ALA A 745 2.681 5.255 -10.806 1.00 0.00 H new ATOM 0 HA ALA A 745 2.981 3.526 -8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 745 1.230 2.209 -9.696 1.00 0.00 H new ATOM 0 HB2 ALA A 745 0.711 3.890 -9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 745 1.315 3.391 -11.024 1.00 0.00 H new ATOM 491 N TRP A 746 4.652 3.115 -11.079 1.00 0.00 N ATOM 492 CA TRP A 746 5.565 2.195 -11.744 1.00 0.00 C ATOM 493 C TRP A 746 6.470 1.419 -10.769 1.00 0.00 C ATOM 494 O TRP A 746 6.791 0.263 -11.049 1.00 0.00 O ATOM 495 CB TRP A 746 6.381 2.881 -12.834 1.00 0.00 C ATOM 496 CG TRP A 746 6.956 4.194 -12.443 1.00 0.00 C ATOM 497 CD1 TRP A 746 6.372 5.416 -12.590 1.00 0.00 C ATOM 498 CD2 TRP A 746 8.230 4.419 -11.846 1.00 0.00 C ATOM 499 NE1 TRP A 746 7.221 6.396 -12.142 1.00 0.00 N ATOM 500 CE2 TRP A 746 8.367 5.807 -11.676 1.00 0.00 C ATOM 501 CE3 TRP A 746 9.271 3.579 -11.441 1.00 0.00 C ATOM 502 CZ2 TRP A 746 9.504 6.374 -11.124 1.00 0.00 C ATOM 503 CZ3 TRP A 746 10.398 4.144 -10.884 1.00 0.00 C ATOM 504 CH2 TRP A 746 10.504 5.529 -10.733 1.00 0.00 C ATOM 0 H TRP A 746 4.731 4.092 -11.362 1.00 0.00 H new ATOM 0 HA TRP A 746 4.928 1.453 -12.225 1.00 0.00 H new ATOM 0 HB2 TRP A 746 7.193 2.218 -13.133 1.00 0.00 H new ATOM 0 HB3 TRP A 746 5.747 3.023 -13.709 1.00 0.00 H new ATOM 0 HD1 TRP A 746 5.387 5.588 -12.998 1.00 0.00 H new ATOM 0 HE1 TRP A 746 7.031 7.398 -12.154 1.00 0.00 H new ATOM 0 HE3 TRP A 746 9.194 2.509 -11.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 746 9.597 7.444 -11.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 746 11.209 3.508 -10.560 1.00 0.00 H new ATOM 0 HH2 TRP A 746 11.401 5.943 -10.295 1.00 0.00 H new ATOM 515 N PRO A 747 6.913 1.994 -9.618 1.00 0.00 N ATOM 516 CA PRO A 747 7.739 1.245 -8.681 1.00 0.00 C ATOM 517 C PRO A 747 6.906 0.208 -7.952 1.00 0.00 C ATOM 518 O PRO A 747 7.429 -0.727 -7.359 1.00 0.00 O ATOM 519 CB PRO A 747 8.268 2.292 -7.691 1.00 0.00 C ATOM 520 CG PRO A 747 7.707 3.607 -8.103 1.00 0.00 C ATOM 521 CD PRO A 747 6.647 3.362 -9.134 1.00 0.00 C ATOM 0 HA PRO A 747 8.544 0.710 -9.184 1.00 0.00 H new ATOM 0 HB2 PRO A 747 7.966 2.046 -6.673 1.00 0.00 H new ATOM 0 HB3 PRO A 747 9.358 2.317 -7.703 1.00 0.00 H new ATOM 0 HG2 PRO A 747 7.287 4.127 -7.242 1.00 0.00 H new ATOM 0 HG3 PRO A 747 8.492 4.245 -8.509 1.00 0.00 H new ATOM 0 HD2 PRO A 747 5.649 3.444 -8.704 1.00 0.00 H new ATOM 0 HD3 PRO A 747 6.706 4.088 -9.944 1.00 0.00 H new ATOM 529 N PHE A 748 5.594 0.367 -8.032 1.00 0.00 N ATOM 530 CA PHE A 748 4.682 -0.535 -7.354 1.00 0.00 C ATOM 531 C PHE A 748 3.905 -1.379 -8.355 1.00 0.00 C ATOM 532 O PHE A 748 3.258 -2.352 -7.998 1.00 0.00 O ATOM 533 CB PHE A 748 3.749 0.268 -6.447 1.00 0.00 C ATOM 534 CG PHE A 748 4.388 1.481 -5.845 1.00 0.00 C ATOM 535 CD1 PHE A 748 5.684 1.442 -5.413 1.00 0.00 C ATOM 536 CD2 PHE A 748 3.692 2.665 -5.734 1.00 0.00 C ATOM 537 CE1 PHE A 748 6.287 2.552 -4.877 1.00 0.00 C ATOM 538 CE2 PHE A 748 4.296 3.787 -5.196 1.00 0.00 C ATOM 539 CZ PHE A 748 5.589 3.725 -4.772 1.00 0.00 C ATOM 0 H PHE A 748 5.139 1.112 -8.560 1.00 0.00 H new ATOM 0 HA PHE A 748 5.255 -1.225 -6.735 1.00 0.00 H new ATOM 0 HB2 PHE A 748 2.876 0.576 -7.022 1.00 0.00 H new ATOM 0 HB3 PHE A 748 3.391 -0.378 -5.646 1.00 0.00 H new ATOM 0 HD1 PHE A 748 6.243 0.522 -5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 748 2.667 2.717 -6.070 1.00 0.00 H new ATOM 0 HE1 PHE A 748 7.311 2.500 -4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 748 3.743 4.711 -5.112 1.00 0.00 H new ATOM 0 HZ PHE A 748 6.063 4.600 -4.353 1.00 0.00 H new ATOM 549 N MET A 749 3.995 -1.001 -9.617 1.00 0.00 N ATOM 550 CA MET A 749 3.305 -1.705 -10.693 1.00 0.00 C ATOM 551 C MET A 749 3.465 -3.208 -10.569 1.00 0.00 C ATOM 552 O MET A 749 2.548 -3.972 -10.867 1.00 0.00 O ATOM 553 CB MET A 749 3.859 -1.235 -12.020 1.00 0.00 C ATOM 554 CG MET A 749 3.097 -0.071 -12.564 1.00 0.00 C ATOM 555 SD MET A 749 1.832 -0.589 -13.728 1.00 0.00 S ATOM 556 CE MET A 749 1.055 0.982 -13.967 1.00 0.00 C ATOM 0 H MET A 749 4.545 -0.201 -9.929 1.00 0.00 H new ATOM 0 HA MET A 749 2.240 -1.482 -10.628 1.00 0.00 H new ATOM 0 HB2 MET A 749 4.906 -0.958 -11.898 1.00 0.00 H new ATOM 0 HB3 MET A 749 3.828 -2.056 -12.737 1.00 0.00 H new ATOM 0 HG2 MET A 749 2.634 0.476 -11.743 1.00 0.00 H new ATOM 0 HG3 MET A 749 3.785 0.616 -13.057 1.00 0.00 H new ATOM 0 HE1 MET A 749 -0.010 0.898 -13.751 1.00 0.00 H new ATOM 0 HE2 MET A 749 1.504 1.716 -13.298 1.00 0.00 H new ATOM 0 HE3 MET A 749 1.191 1.302 -15.000 1.00 0.00 H new ATOM 566 N GLU A 750 4.639 -3.615 -10.126 1.00 0.00 N ATOM 567 CA GLU A 750 4.951 -5.017 -9.954 1.00 0.00 C ATOM 568 C GLU A 750 6.036 -5.186 -8.900 1.00 0.00 C ATOM 569 O GLU A 750 6.975 -4.391 -8.844 1.00 0.00 O ATOM 570 CB GLU A 750 5.425 -5.608 -11.276 1.00 0.00 C ATOM 571 CG GLU A 750 4.306 -6.166 -12.136 1.00 0.00 C ATOM 572 CD GLU A 750 4.821 -6.832 -13.396 1.00 0.00 C ATOM 573 OE1 GLU A 750 5.059 -6.116 -14.392 1.00 0.00 O ATOM 574 OE2 GLU A 750 4.984 -8.071 -13.389 1.00 0.00 O ATOM 0 H GLU A 750 5.400 -2.983 -9.876 1.00 0.00 H new ATOM 0 HA GLU A 750 4.052 -5.540 -9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 750 5.953 -4.838 -11.839 1.00 0.00 H new ATOM 0 HB3 GLU A 750 6.143 -6.402 -11.071 1.00 0.00 H new ATOM 0 HG2 GLU A 750 3.731 -6.888 -11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 750 3.624 -5.360 -12.407 1.00 0.00 H new ATOM 581 N PRO A 751 5.920 -6.217 -8.042 1.00 0.00 N ATOM 582 CA PRO A 751 6.893 -6.492 -7.001 1.00 0.00 C ATOM 583 C PRO A 751 8.306 -6.241 -7.468 1.00 0.00 C ATOM 584 O PRO A 751 8.653 -6.527 -8.614 1.00 0.00 O ATOM 585 CB PRO A 751 6.700 -7.970 -6.681 1.00 0.00 C ATOM 586 CG PRO A 751 5.473 -8.399 -7.410 1.00 0.00 C ATOM 587 CD PRO A 751 4.828 -7.182 -8.004 1.00 0.00 C ATOM 0 HA PRO A 751 6.746 -5.843 -6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 751 7.565 -8.553 -6.999 1.00 0.00 H new ATOM 0 HB3 PRO A 751 6.589 -8.124 -5.608 1.00 0.00 H new ATOM 0 HG2 PRO A 751 5.727 -9.114 -8.192 1.00 0.00 H new ATOM 0 HG3 PRO A 751 4.784 -8.901 -6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 751 4.431 -7.381 -8.999 1.00 0.00 H new ATOM 0 HD3 PRO A 751 3.997 -6.827 -7.394 1.00 0.00 H new ATOM 595 N VAL A 752 9.123 -5.710 -6.578 1.00 0.00 N ATOM 596 CA VAL A 752 10.489 -5.420 -6.920 1.00 0.00 C ATOM 597 C VAL A 752 11.231 -6.717 -7.219 1.00 0.00 C ATOM 598 O VAL A 752 10.778 -7.802 -6.853 1.00 0.00 O ATOM 599 CB VAL A 752 11.180 -4.586 -5.812 1.00 0.00 C ATOM 600 CG1 VAL A 752 10.350 -4.485 -4.564 1.00 0.00 C ATOM 601 CG2 VAL A 752 12.538 -5.104 -5.435 1.00 0.00 C ATOM 0 H VAL A 752 8.860 -5.475 -5.621 1.00 0.00 H new ATOM 0 HA VAL A 752 10.510 -4.807 -7.821 1.00 0.00 H new ATOM 0 HB VAL A 752 11.294 -3.597 -6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 752 10.881 -3.890 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 752 9.398 -4.008 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 752 10.167 -5.483 -4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 752 12.964 -4.473 -4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 752 12.448 -6.126 -5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 752 13.189 -5.089 -6.309 1.00 0.00 H new ATOM 611 N LYS A 753 12.371 -6.596 -7.882 1.00 0.00 N ATOM 612 CA LYS A 753 13.166 -7.762 -8.269 1.00 0.00 C ATOM 613 C LYS A 753 13.734 -8.452 -7.046 1.00 0.00 C ATOM 614 O LYS A 753 14.530 -9.384 -7.157 1.00 0.00 O ATOM 615 CB LYS A 753 14.316 -7.342 -9.176 1.00 0.00 C ATOM 616 CG LYS A 753 13.889 -6.413 -10.294 1.00 0.00 C ATOM 617 CD LYS A 753 13.397 -7.182 -11.508 1.00 0.00 C ATOM 618 CE LYS A 753 12.889 -6.240 -12.583 1.00 0.00 C ATOM 619 NZ LYS A 753 13.984 -5.414 -13.161 1.00 0.00 N ATOM 0 H LYS A 753 12.771 -5.702 -8.166 1.00 0.00 H new ATOM 0 HA LYS A 753 12.511 -8.451 -8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 753 15.081 -6.850 -8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 753 14.773 -8.232 -9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 753 13.098 -5.753 -9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 753 14.728 -5.779 -10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 753 14.207 -7.792 -11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 753 12.600 -7.864 -11.212 1.00 0.00 H new ATOM 0 HE2 LYS A 753 12.413 -6.817 -13.376 1.00 0.00 H new ATOM 0 HE3 LYS A 753 12.125 -5.586 -12.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 13.624 -4.884 -13.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 14.332 -4.747 -12.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 14.763 -6.033 -13.464 1.00 0.00 H new ATOM 633 N ARG A 754 13.320 -7.974 -5.881 1.00 0.00 N ATOM 634 CA ARG A 754 13.804 -8.485 -4.616 1.00 0.00 C ATOM 635 C ARG A 754 15.270 -8.138 -4.458 1.00 0.00 C ATOM 636 O ARG A 754 15.849 -8.319 -3.386 1.00 0.00 O ATOM 637 CB ARG A 754 13.617 -9.998 -4.512 1.00 0.00 C ATOM 638 CG ARG A 754 13.690 -10.508 -3.085 1.00 0.00 C ATOM 639 CD ARG A 754 13.411 -12.000 -3.004 1.00 0.00 C ATOM 640 NE ARG A 754 13.691 -12.534 -1.674 1.00 0.00 N ATOM 641 CZ ARG A 754 13.672 -13.831 -1.379 1.00 0.00 C ATOM 642 NH1 ARG A 754 13.377 -14.725 -2.316 1.00 0.00 N ATOM 643 NH2 ARG A 754 13.946 -14.236 -0.148 1.00 0.00 N ATOM 0 H ARG A 754 12.638 -7.220 -5.791 1.00 0.00 H new ATOM 0 HA ARG A 754 13.223 -8.021 -3.819 1.00 0.00 H new ATOM 0 HB2 ARG A 754 12.652 -10.269 -4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 754 14.382 -10.495 -5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 754 14.678 -10.300 -2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 754 12.970 -9.970 -2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 754 12.368 -12.189 -3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 754 14.019 -12.524 -3.741 1.00 0.00 H new ATOM 0 HE ARG A 754 13.914 -11.875 -0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 754 13.164 -14.418 -3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 754 13.363 -15.719 -2.086 1.00 0.00 H new ATOM 0 HH21 ARG A 754 14.172 -13.553 0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 754 13.931 -15.231 0.077 1.00 0.00 H new ATOM 657 N THR A 755 15.874 -7.629 -5.535 1.00 0.00 N ATOM 658 CA THR A 755 17.276 -7.279 -5.500 1.00 0.00 C ATOM 659 C THR A 755 17.575 -5.959 -6.210 1.00 0.00 C ATOM 660 O THR A 755 18.651 -5.393 -6.010 1.00 0.00 O ATOM 661 CB THR A 755 18.157 -8.387 -6.083 1.00 0.00 C ATOM 662 OG1 THR A 755 18.018 -8.436 -7.508 1.00 0.00 O ATOM 663 CG2 THR A 755 17.788 -9.734 -5.481 1.00 0.00 C ATOM 0 H THR A 755 15.411 -7.456 -6.427 1.00 0.00 H new ATOM 0 HA THR A 755 17.517 -7.155 -4.444 1.00 0.00 H new ATOM 0 HB THR A 755 19.195 -8.165 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 755 18.588 -9.147 -7.868 1.00 0.00 H new ATOM 0 HG21 THR A 755 18.424 -10.510 -5.907 1.00 0.00 H new ATOM 0 HG22 THR A 755 17.930 -9.701 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 755 16.745 -9.958 -5.703 1.00 0.00 H new ATOM 671 N GLU A 756 16.649 -5.452 -7.047 1.00 0.00 N ATOM 672 CA GLU A 756 16.878 -4.149 -7.665 1.00 0.00 C ATOM 673 C GLU A 756 16.956 -3.235 -6.507 1.00 0.00 C ATOM 674 O GLU A 756 17.530 -2.147 -6.540 1.00 0.00 O ATOM 675 CB GLU A 756 15.723 -3.697 -8.534 1.00 0.00 C ATOM 676 CG GLU A 756 14.410 -3.778 -7.827 1.00 0.00 C ATOM 677 CD GLU A 756 13.258 -3.233 -8.650 1.00 0.00 C ATOM 678 OE1 GLU A 756 13.292 -2.035 -8.996 1.00 0.00 O ATOM 679 OE2 GLU A 756 12.323 -4.004 -8.949 1.00 0.00 O ATOM 0 H GLU A 756 15.772 -5.909 -7.298 1.00 0.00 H new ATOM 0 HA GLU A 756 17.758 -4.174 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 756 15.895 -2.670 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 756 15.686 -4.312 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 756 14.206 -4.817 -7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 756 14.474 -3.225 -6.890 1.00 0.00 H new ATOM 686 N ALA A 757 16.324 -3.781 -5.484 1.00 0.00 N ATOM 687 CA ALA A 757 16.165 -3.238 -4.200 1.00 0.00 C ATOM 688 C ALA A 757 17.031 -4.012 -3.248 1.00 0.00 C ATOM 689 O ALA A 757 16.639 -5.006 -2.641 1.00 0.00 O ATOM 690 CB ALA A 757 14.762 -3.367 -3.882 1.00 0.00 C ATOM 0 H ALA A 757 15.880 -4.696 -5.566 1.00 0.00 H new ATOM 0 HA ALA A 757 16.462 -2.191 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 757 14.575 -2.959 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 757 14.171 -2.820 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 757 14.480 -4.420 -3.901 1.00 0.00 H new ATOM 696 N PRO A 758 18.237 -3.536 -3.168 1.00 0.00 N ATOM 697 CA PRO A 758 19.302 -4.108 -2.370 1.00 0.00 C ATOM 698 C PRO A 758 18.968 -4.090 -0.905 1.00 0.00 C ATOM 699 O PRO A 758 18.921 -3.037 -0.271 1.00 0.00 O ATOM 700 CB PRO A 758 20.492 -3.222 -2.694 1.00 0.00 C ATOM 701 CG PRO A 758 20.096 -2.491 -3.938 1.00 0.00 C ATOM 702 CD PRO A 758 18.633 -2.340 -3.874 1.00 0.00 C ATOM 0 HA PRO A 758 19.486 -5.159 -2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 758 20.704 -2.530 -1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 758 21.394 -3.813 -2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 758 20.586 -1.519 -3.992 1.00 0.00 H new ATOM 0 HG3 PRO A 758 20.392 -3.047 -4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 758 18.339 -1.436 -3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 758 18.185 -2.285 -4.866 1.00 0.00 H new ATOM 710 N GLY A 759 18.743 -5.274 -0.368 1.00 0.00 N ATOM 711 CA GLY A 759 18.368 -5.373 1.008 1.00 0.00 C ATOM 712 C GLY A 759 17.016 -4.742 1.219 1.00 0.00 C ATOM 713 O GLY A 759 16.744 -4.188 2.275 1.00 0.00 O ATOM 0 H GLY A 759 18.815 -6.162 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 759 18.342 -6.419 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 759 19.111 -4.878 1.633 1.00 0.00 H new ATOM 717 N TYR A 760 16.184 -4.775 0.177 1.00 0.00 N ATOM 718 CA TYR A 760 14.846 -4.214 0.258 1.00 0.00 C ATOM 719 C TYR A 760 13.909 -5.105 1.062 1.00 0.00 C ATOM 720 O TYR A 760 13.204 -4.636 1.944 1.00 0.00 O ATOM 721 CB TYR A 760 14.359 -4.023 -1.164 1.00 0.00 C ATOM 722 CG TYR A 760 12.963 -3.474 -1.336 1.00 0.00 C ATOM 723 CD1 TYR A 760 11.880 -4.246 -1.087 1.00 0.00 C ATOM 724 CD2 TYR A 760 12.742 -2.170 -1.747 1.00 0.00 C ATOM 725 CE1 TYR A 760 10.626 -3.745 -1.231 1.00 0.00 C ATOM 726 CE2 TYR A 760 11.478 -1.658 -1.889 1.00 0.00 C ATOM 727 CZ TYR A 760 10.416 -2.455 -1.627 1.00 0.00 C ATOM 728 OH TYR A 760 9.136 -1.971 -1.764 1.00 0.00 O ATOM 0 H TYR A 760 16.417 -5.184 -0.728 1.00 0.00 H new ATOM 0 HA TYR A 760 14.864 -3.260 0.784 1.00 0.00 H new ATOM 0 HB2 TYR A 760 15.053 -3.354 -1.674 1.00 0.00 H new ATOM 0 HB3 TYR A 760 14.411 -4.985 -1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 760 12.014 -5.270 -0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 760 13.591 -1.538 -1.962 1.00 0.00 H new ATOM 0 HE1 TYR A 760 9.777 -4.380 -1.028 1.00 0.00 H new ATOM 0 HE2 TYR A 760 11.332 -0.636 -2.205 1.00 0.00 H new ATOM 0 HH TYR A 760 9.169 -1.035 -2.052 1.00 0.00 H new ATOM 738 N TYR A 761 13.934 -6.389 0.771 1.00 0.00 N ATOM 739 CA TYR A 761 13.062 -7.349 1.447 1.00 0.00 C ATOM 740 C TYR A 761 13.190 -7.348 2.974 1.00 0.00 C ATOM 741 O TYR A 761 12.310 -7.861 3.664 1.00 0.00 O ATOM 742 CB TYR A 761 13.269 -8.749 0.871 1.00 0.00 C ATOM 743 CG TYR A 761 12.195 -9.099 -0.119 1.00 0.00 C ATOM 744 CD1 TYR A 761 11.793 -8.161 -1.046 1.00 0.00 C ATOM 745 CD2 TYR A 761 11.553 -10.330 -0.099 1.00 0.00 C ATOM 746 CE1 TYR A 761 10.780 -8.428 -1.939 1.00 0.00 C ATOM 747 CE2 TYR A 761 10.542 -10.615 -0.998 1.00 0.00 C ATOM 748 CZ TYR A 761 10.158 -9.659 -1.915 1.00 0.00 C ATOM 749 OH TYR A 761 9.145 -9.933 -2.807 1.00 0.00 O ATOM 0 H TYR A 761 14.549 -6.801 0.069 1.00 0.00 H new ATOM 0 HA TYR A 761 12.040 -7.024 1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 761 14.244 -8.804 0.387 1.00 0.00 H new ATOM 0 HB3 TYR A 761 13.273 -9.480 1.680 1.00 0.00 H new ATOM 0 HD1 TYR A 761 12.282 -7.198 -1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 761 11.847 -11.073 0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 761 10.474 -7.678 -2.654 1.00 0.00 H new ATOM 0 HE2 TYR A 761 10.056 -11.580 -0.982 1.00 0.00 H new ATOM 0 HH TYR A 761 8.815 -10.844 -2.658 1.00 0.00 H new ATOM 759 N GLU A 762 14.266 -6.783 3.510 1.00 0.00 N ATOM 760 CA GLU A 762 14.441 -6.730 4.961 1.00 0.00 C ATOM 761 C GLU A 762 13.711 -5.529 5.525 1.00 0.00 C ATOM 762 O GLU A 762 12.751 -5.658 6.286 1.00 0.00 O ATOM 763 CB GLU A 762 15.907 -6.628 5.332 1.00 0.00 C ATOM 764 CG GLU A 762 16.759 -6.039 4.244 1.00 0.00 C ATOM 765 CD GLU A 762 18.209 -6.475 4.351 1.00 0.00 C ATOM 766 OE1 GLU A 762 18.813 -6.265 5.422 1.00 0.00 O ATOM 767 OE2 GLU A 762 18.734 -7.040 3.370 1.00 0.00 O ATOM 0 H GLU A 762 15.022 -6.360 2.972 1.00 0.00 H new ATOM 0 HA GLU A 762 14.033 -7.650 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 762 16.005 -6.018 6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 762 16.282 -7.621 5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 762 16.363 -6.337 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 762 16.704 -4.951 4.291 1.00 0.00 H new ATOM 774 N VAL A 763 14.199 -4.359 5.138 1.00 0.00 N ATOM 775 CA VAL A 763 13.623 -3.098 5.536 1.00 0.00 C ATOM 776 C VAL A 763 12.150 -3.157 5.283 1.00 0.00 C ATOM 777 O VAL A 763 11.328 -2.679 6.063 1.00 0.00 O ATOM 778 CB VAL A 763 14.230 -1.945 4.697 1.00 0.00 C ATOM 779 CG1 VAL A 763 14.895 -2.447 3.445 1.00 0.00 C ATOM 780 CG2 VAL A 763 13.189 -0.995 4.230 1.00 0.00 C ATOM 0 H VAL A 763 15.015 -4.266 4.533 1.00 0.00 H new ATOM 0 HA VAL A 763 13.830 -2.917 6.591 1.00 0.00 H new ATOM 0 HB VAL A 763 14.946 -1.463 5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 763 15.306 -1.605 2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 763 15.699 -3.134 3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 763 14.163 -2.967 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 763 13.656 -0.202 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 763 12.465 -1.524 3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 763 12.681 -0.560 5.091 1.00 0.00 H new ATOM 790 N ILE A 764 11.847 -3.769 4.170 1.00 0.00 N ATOM 791 CA ILE A 764 10.503 -3.899 3.725 1.00 0.00 C ATOM 792 C ILE A 764 9.860 -5.181 4.208 1.00 0.00 C ATOM 793 O ILE A 764 9.832 -6.183 3.495 1.00 0.00 O ATOM 794 CB ILE A 764 10.455 -3.847 2.225 1.00 0.00 C ATOM 795 CG1 ILE A 764 11.208 -2.608 1.749 1.00 0.00 C ATOM 796 CG2 ILE A 764 9.020 -3.818 1.786 1.00 0.00 C ATOM 797 CD1 ILE A 764 10.384 -1.349 1.771 1.00 0.00 C ATOM 0 H ILE A 764 12.537 -4.191 3.549 1.00 0.00 H new ATOM 0 HA ILE A 764 9.940 -3.067 4.148 1.00 0.00 H new ATOM 0 HB ILE A 764 10.930 -4.726 1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 764 12.088 -2.466 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 764 11.565 -2.779 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 764 8.973 -3.780 0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 764 8.513 -4.716 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 764 8.530 -2.937 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 764 10.988 -0.513 1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 764 9.518 -1.470 1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 764 10.049 -1.151 2.789 1.00 0.00 H new ATOM 809 N ARG A 765 9.373 -5.152 5.433 1.00 0.00 N ATOM 810 CA ARG A 765 8.706 -6.305 6.004 1.00 0.00 C ATOM 811 C ARG A 765 7.605 -6.816 5.072 1.00 0.00 C ATOM 812 O ARG A 765 7.375 -8.023 4.987 1.00 0.00 O ATOM 813 CB ARG A 765 8.116 -5.954 7.374 1.00 0.00 C ATOM 814 CG ARG A 765 9.051 -6.204 8.537 1.00 0.00 C ATOM 815 CD ARG A 765 9.366 -7.678 8.690 1.00 0.00 C ATOM 816 NE ARG A 765 10.439 -8.111 7.798 1.00 0.00 N ATOM 817 CZ ARG A 765 10.472 -9.301 7.206 1.00 0.00 C ATOM 818 NH1 ARG A 765 9.491 -10.172 7.403 1.00 0.00 N ATOM 819 NH2 ARG A 765 11.487 -9.621 6.414 1.00 0.00 N ATOM 0 H ARG A 765 9.427 -4.343 6.052 1.00 0.00 H new ATOM 0 HA ARG A 765 9.445 -7.097 6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 765 7.828 -4.903 7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 765 7.205 -6.534 7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 765 9.976 -5.647 8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 765 8.599 -5.830 9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 765 9.651 -7.881 9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 765 8.469 -8.262 8.486 1.00 0.00 H new ATOM 0 HE ARG A 765 11.207 -7.463 7.619 1.00 0.00 H new ATOM 0 HH11 ARG A 765 8.708 -9.930 8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 765 9.520 -11.084 6.947 1.00 0.00 H new ATOM 0 HH21 ARG A 765 12.243 -8.954 6.259 1.00 0.00 H new ATOM 0 HH22 ARG A 765 11.512 -10.534 5.960 1.00 0.00 H new ATOM 833 N PHE A 766 6.924 -5.900 4.370 1.00 0.00 N ATOM 834 CA PHE A 766 5.841 -6.296 3.467 1.00 0.00 C ATOM 835 C PHE A 766 5.916 -5.609 2.102 1.00 0.00 C ATOM 836 O PHE A 766 5.183 -4.653 1.851 1.00 0.00 O ATOM 837 CB PHE A 766 4.478 -5.991 4.089 1.00 0.00 C ATOM 838 CG PHE A 766 4.137 -6.850 5.262 1.00 0.00 C ATOM 839 CD1 PHE A 766 4.906 -6.782 6.391 1.00 0.00 C ATOM 840 CD2 PHE A 766 3.043 -7.698 5.241 1.00 0.00 C ATOM 841 CE1 PHE A 766 4.611 -7.544 7.501 1.00 0.00 C ATOM 842 CE2 PHE A 766 2.737 -8.471 6.343 1.00 0.00 C ATOM 843 CZ PHE A 766 3.524 -8.391 7.476 1.00 0.00 C ATOM 0 H PHE A 766 7.101 -4.896 4.410 1.00 0.00 H new ATOM 0 HA PHE A 766 5.961 -7.368 3.314 1.00 0.00 H new ATOM 0 HB2 PHE A 766 4.458 -4.946 4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 766 3.708 -6.112 3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 766 5.759 -6.120 6.413 1.00 0.00 H new ATOM 0 HD2 PHE A 766 2.425 -7.755 4.357 1.00 0.00 H new ATOM 0 HE1 PHE A 766 5.228 -7.478 8.385 1.00 0.00 H new ATOM 0 HE2 PHE A 766 1.886 -9.136 6.320 1.00 0.00 H new ATOM 0 HZ PHE A 766 3.287 -8.992 8.342 1.00 0.00 H new ATOM 853 N PRO A 767 6.807 -6.068 1.204 1.00 0.00 N ATOM 854 CA PRO A 767 6.927 -5.498 -0.135 1.00 0.00 C ATOM 855 C PRO A 767 5.692 -5.745 -0.995 1.00 0.00 C ATOM 856 O PRO A 767 5.696 -6.603 -1.878 1.00 0.00 O ATOM 857 CB PRO A 767 8.154 -6.190 -0.737 1.00 0.00 C ATOM 858 CG PRO A 767 8.840 -6.848 0.394 1.00 0.00 C ATOM 859 CD PRO A 767 7.803 -7.113 1.446 1.00 0.00 C ATOM 0 HA PRO A 767 7.025 -4.413 -0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 767 7.861 -6.918 -1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 767 8.809 -5.469 -1.226 1.00 0.00 H new ATOM 0 HG2 PRO A 767 9.308 -7.778 0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 767 9.633 -6.211 0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 767 7.373 -8.110 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 767 8.222 -7.046 2.450 1.00 0.00 H new ATOM 867 N MET A 768 4.634 -4.985 -0.729 1.00 0.00 N ATOM 868 CA MET A 768 3.404 -5.101 -1.490 1.00 0.00 C ATOM 869 C MET A 768 3.425 -4.102 -2.611 1.00 0.00 C ATOM 870 O MET A 768 4.028 -3.038 -2.502 1.00 0.00 O ATOM 871 CB MET A 768 2.179 -4.888 -0.608 1.00 0.00 C ATOM 872 CG MET A 768 0.908 -4.504 -1.374 1.00 0.00 C ATOM 873 SD MET A 768 0.135 -5.865 -2.252 1.00 0.00 S ATOM 874 CE MET A 768 0.030 -6.997 -0.898 1.00 0.00 C ATOM 0 H MET A 768 4.608 -4.282 0.010 1.00 0.00 H new ATOM 0 HA MET A 768 3.338 -6.110 -1.897 1.00 0.00 H new ATOM 0 HB2 MET A 768 1.988 -5.802 -0.045 1.00 0.00 H new ATOM 0 HB3 MET A 768 2.401 -4.107 0.119 1.00 0.00 H new ATOM 0 HG2 MET A 768 0.188 -4.084 -0.672 1.00 0.00 H new ATOM 0 HG3 MET A 768 1.152 -3.718 -2.089 1.00 0.00 H new ATOM 0 HE1 MET A 768 -0.945 -7.485 -0.907 1.00 0.00 H new ATOM 0 HE2 MET A 768 0.813 -7.749 -0.991 1.00 0.00 H new ATOM 0 HE3 MET A 768 0.156 -6.456 0.040 1.00 0.00 H new ATOM 884 N ASP A 769 2.786 -4.456 -3.694 1.00 0.00 N ATOM 885 CA ASP A 769 2.734 -3.596 -4.838 1.00 0.00 C ATOM 886 C ASP A 769 1.366 -3.661 -5.475 1.00 0.00 C ATOM 887 O ASP A 769 0.471 -4.319 -4.963 1.00 0.00 O ATOM 888 CB ASP A 769 3.824 -3.973 -5.819 1.00 0.00 C ATOM 889 CG ASP A 769 4.822 -4.934 -5.212 1.00 0.00 C ATOM 890 OD1 ASP A 769 4.528 -6.146 -5.167 1.00 0.00 O ATOM 891 OD2 ASP A 769 5.896 -4.473 -4.771 1.00 0.00 O ATOM 0 H ASP A 769 2.292 -5.341 -3.805 1.00 0.00 H new ATOM 0 HA ASP A 769 2.907 -2.566 -4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 769 3.376 -4.426 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 769 4.342 -3.073 -6.150 1.00 0.00 H new ATOM 896 N LEU A 770 1.208 -2.955 -6.567 1.00 0.00 N ATOM 897 CA LEU A 770 -0.054 -2.914 -7.277 1.00 0.00 C ATOM 898 C LEU A 770 -0.359 -4.223 -7.972 1.00 0.00 C ATOM 899 O LEU A 770 -1.521 -4.539 -8.201 1.00 0.00 O ATOM 900 CB LEU A 770 -0.031 -1.770 -8.256 1.00 0.00 C ATOM 901 CG LEU A 770 0.652 -0.544 -7.708 1.00 0.00 C ATOM 902 CD1 LEU A 770 1.369 0.155 -8.813 1.00 0.00 C ATOM 903 CD2 LEU A 770 -0.349 0.384 -7.070 1.00 0.00 C ATOM 0 H LEU A 770 1.946 -2.393 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.854 -2.758 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 770 0.478 -2.087 -9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -1.054 -1.516 -8.535 1.00 0.00 H new ATOM 0 HG LEU A 770 1.367 -0.848 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 770 1.865 1.043 -8.421 1.00 0.00 H new ATOM 0 HD12 LEU A 770 2.113 -0.515 -9.245 1.00 0.00 H new ATOM 0 HD13 LEU A 770 0.654 0.448 -9.582 1.00 0.00 H new ATOM 0 HD21 LEU A 770 0.166 1.263 -6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -1.084 0.693 -7.813 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -0.854 -0.132 -6.253 1.00 0.00 H new ATOM 915 N LYS A 771 0.668 -4.970 -8.354 1.00 0.00 N ATOM 916 CA LYS A 771 0.418 -6.263 -8.965 1.00 0.00 C ATOM 917 C LYS A 771 0.072 -7.247 -7.879 1.00 0.00 C ATOM 918 O LYS A 771 -0.789 -8.096 -8.058 1.00 0.00 O ATOM 919 CB LYS A 771 1.588 -6.793 -9.767 1.00 0.00 C ATOM 920 CG LYS A 771 1.121 -7.713 -10.874 1.00 0.00 C ATOM 921 CD LYS A 771 0.969 -6.950 -12.172 1.00 0.00 C ATOM 922 CE LYS A 771 0.121 -7.716 -13.169 1.00 0.00 C ATOM 923 NZ LYS A 771 -0.069 -6.960 -14.437 1.00 0.00 N ATOM 0 H LYS A 771 1.650 -4.713 -8.256 1.00 0.00 H new ATOM 0 HA LYS A 771 -0.404 -6.133 -9.669 1.00 0.00 H new ATOM 0 HB2 LYS A 771 2.146 -5.960 -10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 771 2.270 -7.330 -9.108 1.00 0.00 H new ATOM 0 HG2 LYS A 771 1.836 -8.525 -11.005 1.00 0.00 H new ATOM 0 HG3 LYS A 771 0.169 -8.167 -10.599 1.00 0.00 H new ATOM 0 HD2 LYS A 771 0.513 -5.980 -11.974 1.00 0.00 H new ATOM 0 HD3 LYS A 771 1.953 -6.758 -12.600 1.00 0.00 H new ATOM 0 HE2 LYS A 771 0.593 -8.674 -13.386 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -0.851 -7.932 -12.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -0.654 -7.519 -15.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -0.543 -6.057 -14.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 0.857 -6.775 -14.873 1.00 0.00 H new ATOM 937 N THR A 772 0.791 -7.158 -6.767 1.00 0.00 N ATOM 938 CA THR A 772 0.497 -8.001 -5.619 1.00 0.00 C ATOM 939 C THR A 772 -0.902 -7.639 -5.133 1.00 0.00 C ATOM 940 O THR A 772 -1.700 -8.503 -4.773 1.00 0.00 O ATOM 941 CB THR A 772 1.514 -7.831 -4.482 1.00 0.00 C ATOM 942 OG1 THR A 772 2.833 -8.133 -4.953 1.00 0.00 O ATOM 943 CG2 THR A 772 1.161 -8.752 -3.326 1.00 0.00 C ATOM 0 H THR A 772 1.574 -6.517 -6.637 1.00 0.00 H new ATOM 0 HA THR A 772 0.557 -9.046 -5.923 1.00 0.00 H new ATOM 0 HB THR A 772 1.485 -6.797 -4.138 1.00 0.00 H new ATOM 0 HG1 THR A 772 3.237 -7.326 -5.334 1.00 0.00 H new ATOM 0 HG21 THR A 772 1.888 -8.624 -2.524 1.00 0.00 H new ATOM 0 HG22 THR A 772 0.166 -8.506 -2.956 1.00 0.00 H new ATOM 0 HG23 THR A 772 1.176 -9.787 -3.668 1.00 0.00 H new ATOM 951 N MET A 773 -1.170 -6.331 -5.116 1.00 0.00 N ATOM 952 CA MET A 773 -2.486 -5.808 -4.780 1.00 0.00 C ATOM 953 C MET A 773 -3.477 -6.463 -5.730 1.00 0.00 C ATOM 954 O MET A 773 -4.343 -7.222 -5.322 1.00 0.00 O ATOM 955 CB MET A 773 -2.511 -4.289 -4.970 1.00 0.00 C ATOM 956 CG MET A 773 -2.176 -3.506 -3.720 1.00 0.00 C ATOM 957 SD MET A 773 -3.319 -3.846 -2.394 1.00 0.00 S ATOM 958 CE MET A 773 -4.788 -3.091 -3.058 1.00 0.00 C ATOM 0 H MET A 773 -0.481 -5.612 -5.335 1.00 0.00 H new ATOM 0 HA MET A 773 -2.737 -6.022 -3.741 1.00 0.00 H new ATOM 0 HB2 MET A 773 -1.804 -4.020 -5.755 1.00 0.00 H new ATOM 0 HB3 MET A 773 -3.501 -3.993 -5.317 1.00 0.00 H new ATOM 0 HG2 MET A 773 -1.164 -3.752 -3.398 1.00 0.00 H new ATOM 0 HG3 MET A 773 -2.189 -2.440 -3.946 1.00 0.00 H new ATOM 0 HE1 MET A 773 -5.068 -2.236 -2.443 1.00 0.00 H new ATOM 0 HE2 MET A 773 -4.596 -2.757 -4.078 1.00 0.00 H new ATOM 0 HE3 MET A 773 -5.601 -3.817 -3.061 1.00 0.00 H new ATOM 968 N SER A 774 -3.287 -6.194 -7.018 1.00 0.00 N ATOM 969 CA SER A 774 -4.135 -6.755 -8.065 1.00 0.00 C ATOM 970 C SER A 774 -4.118 -8.273 -8.038 1.00 0.00 C ATOM 971 O SER A 774 -5.027 -8.912 -8.535 1.00 0.00 O ATOM 972 CB SER A 774 -3.690 -6.260 -9.424 1.00 0.00 C ATOM 973 OG SER A 774 -2.550 -6.962 -9.886 1.00 0.00 O ATOM 0 H SER A 774 -2.546 -5.585 -7.364 1.00 0.00 H new ATOM 0 HA SER A 774 -5.156 -6.423 -7.877 1.00 0.00 H new ATOM 0 HB2 SER A 774 -4.504 -6.376 -10.139 1.00 0.00 H new ATOM 0 HB3 SER A 774 -3.465 -5.195 -9.368 1.00 0.00 H new ATOM 0 HG SER A 774 -2.038 -7.295 -9.120 1.00 0.00 H new ATOM 979 N GLU A 775 -3.063 -8.841 -7.483 1.00 0.00 N ATOM 980 CA GLU A 775 -2.951 -10.286 -7.365 1.00 0.00 C ATOM 981 C GLU A 775 -4.051 -10.762 -6.453 1.00 0.00 C ATOM 982 O GLU A 775 -4.826 -11.673 -6.769 1.00 0.00 O ATOM 983 CB GLU A 775 -1.587 -10.638 -6.785 1.00 0.00 C ATOM 984 CG GLU A 775 -0.747 -11.510 -7.687 1.00 0.00 C ATOM 985 CD GLU A 775 0.303 -12.300 -6.929 1.00 0.00 C ATOM 986 OE1 GLU A 775 -0.039 -13.373 -6.388 1.00 0.00 O ATOM 987 OE2 GLU A 775 1.464 -11.847 -6.877 1.00 0.00 O ATOM 0 H GLU A 775 -2.269 -8.324 -7.106 1.00 0.00 H new ATOM 0 HA GLU A 775 -3.046 -10.766 -8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 775 -1.043 -9.717 -6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 775 -1.729 -11.148 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 775 -1.397 -12.200 -8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 775 -0.257 -10.886 -8.434 1.00 0.00 H new ATOM 994 N ARG A 776 -4.119 -10.095 -5.320 1.00 0.00 N ATOM 995 CA ARG A 776 -5.122 -10.361 -4.330 1.00 0.00 C ATOM 996 C ARG A 776 -6.479 -10.059 -4.931 1.00 0.00 C ATOM 997 O ARG A 776 -7.399 -10.865 -4.897 1.00 0.00 O ATOM 998 CB ARG A 776 -4.837 -9.482 -3.131 1.00 0.00 C ATOM 999 CG ARG A 776 -3.689 -10.002 -2.286 1.00 0.00 C ATOM 1000 CD ARG A 776 -2.808 -8.882 -1.760 1.00 0.00 C ATOM 1001 NE ARG A 776 -1.993 -9.319 -0.629 1.00 0.00 N ATOM 1002 CZ ARG A 776 -1.012 -10.213 -0.724 1.00 0.00 C ATOM 1003 NH1 ARG A 776 -0.720 -10.764 -1.895 1.00 0.00 N ATOM 1004 NH2 ARG A 776 -0.320 -10.556 0.354 1.00 0.00 N ATOM 0 H ARG A 776 -3.472 -9.349 -5.065 1.00 0.00 H new ATOM 0 HA ARG A 776 -5.113 -11.403 -4.011 1.00 0.00 H new ATOM 0 HB2 ARG A 776 -4.604 -8.473 -3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 776 -5.734 -9.412 -2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 776 -4.087 -10.573 -1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 776 -3.085 -10.688 -2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 776 -2.159 -8.524 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 776 -3.432 -8.041 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 776 -2.187 -8.915 0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 776 -1.248 -10.503 -2.727 1.00 0.00 H new ATOM 0 HH12 ARG A 776 0.033 -11.449 -1.963 1.00 0.00 H new ATOM 0 HH21 ARG A 776 -0.540 -10.134 1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 776 0.432 -11.241 0.281 1.00 0.00 H new ATOM 1018 N LEU A 777 -6.546 -8.887 -5.520 1.00 0.00 N ATOM 1019 CA LEU A 777 -7.733 -8.384 -6.184 1.00 0.00 C ATOM 1020 C LEU A 777 -8.284 -9.401 -7.143 1.00 0.00 C ATOM 1021 O LEU A 777 -9.457 -9.761 -7.086 1.00 0.00 O ATOM 1022 CB LEU A 777 -7.342 -7.119 -6.942 1.00 0.00 C ATOM 1023 CG LEU A 777 -8.464 -6.232 -7.459 1.00 0.00 C ATOM 1024 CD1 LEU A 777 -9.736 -6.981 -7.701 1.00 0.00 C ATOM 1025 CD2 LEU A 777 -8.717 -5.133 -6.469 1.00 0.00 C ATOM 0 H LEU A 777 -5.759 -8.239 -5.553 1.00 0.00 H new ATOM 0 HA LEU A 777 -8.506 -8.172 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 777 -6.712 -6.517 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 777 -6.728 -7.414 -7.793 1.00 0.00 H new ATOM 0 HG LEU A 777 -8.142 -5.829 -8.419 1.00 0.00 H new ATOM 0 HD11 LEU A 777 -10.498 -6.294 -8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 777 -9.563 -7.762 -8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 777 -10.075 -7.434 -6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 777 -9.521 -4.493 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 777 -9.004 -5.566 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 777 -7.810 -4.541 -6.343 1.00 0.00 H new ATOM 1037 N LYS A 778 -7.427 -9.856 -8.022 1.00 0.00 N ATOM 1038 CA LYS A 778 -7.823 -10.802 -9.018 1.00 0.00 C ATOM 1039 C LYS A 778 -8.536 -11.980 -8.381 1.00 0.00 C ATOM 1040 O LYS A 778 -9.623 -12.370 -8.806 1.00 0.00 O ATOM 1041 CB LYS A 778 -6.629 -11.310 -9.792 1.00 0.00 C ATOM 1042 CG LYS A 778 -6.565 -10.759 -11.187 1.00 0.00 C ATOM 1043 CD LYS A 778 -5.791 -9.456 -11.241 1.00 0.00 C ATOM 1044 CE LYS A 778 -4.281 -9.690 -11.248 1.00 0.00 C ATOM 1045 NZ LYS A 778 -3.805 -10.183 -12.569 1.00 0.00 N ATOM 0 H LYS A 778 -6.446 -9.581 -8.063 1.00 0.00 H new ATOM 0 HA LYS A 778 -8.500 -10.291 -9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 778 -5.716 -11.045 -9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 778 -6.667 -12.398 -9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 778 -6.094 -11.489 -11.845 1.00 0.00 H new ATOM 0 HG3 LYS A 778 -7.576 -10.597 -11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 778 -6.076 -8.901 -12.135 1.00 0.00 H new ATOM 0 HD3 LYS A 778 -6.059 -8.839 -10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 778 -3.768 -8.761 -11.000 1.00 0.00 H new ATOM 0 HE3 LYS A 778 -4.022 -10.413 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 778 -2.765 -10.169 -12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 778 -4.141 -11.156 -12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 778 -4.175 -9.569 -13.323 1.00 0.00 H new ATOM 1059 N ASN A 779 -7.905 -12.547 -7.355 1.00 0.00 N ATOM 1060 CA ASN A 779 -8.482 -13.692 -6.658 1.00 0.00 C ATOM 1061 C ASN A 779 -9.642 -13.268 -5.754 1.00 0.00 C ATOM 1062 O ASN A 779 -10.248 -14.101 -5.079 1.00 0.00 O ATOM 1063 CB ASN A 779 -7.415 -14.430 -5.845 1.00 0.00 C ATOM 1064 CG ASN A 779 -7.267 -13.908 -4.431 1.00 0.00 C ATOM 1065 OD1 ASN A 779 -6.215 -13.137 -4.198 1.00 0.00 O flip ATOM 1066 ND2 ASN A 779 -8.076 -14.211 -3.553 1.00 0.00 N flip ATOM 0 H ASN A 779 -7.004 -12.236 -6.992 1.00 0.00 H new ATOM 0 HA ASN A 779 -8.874 -14.372 -7.414 1.00 0.00 H new ATOM 0 HB2 ASN A 779 -7.666 -15.490 -5.808 1.00 0.00 H new ATOM 0 HB3 ASN A 779 -6.456 -14.347 -6.357 1.00 0.00 H new ATOM 0 HD21 ASN A 779 -8.872 -14.808 -3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 779 -7.950 -13.865 -2.602 1.00 0.00 H new ATOM 1073 N ARG A 780 -9.920 -11.964 -5.741 1.00 0.00 N ATOM 1074 CA ARG A 780 -11.014 -11.381 -4.950 1.00 0.00 C ATOM 1075 C ARG A 780 -10.656 -11.350 -3.473 1.00 0.00 C ATOM 1076 O ARG A 780 -11.532 -11.330 -2.606 1.00 0.00 O ATOM 1077 CB ARG A 780 -12.317 -12.154 -5.132 1.00 0.00 C ATOM 1078 CG ARG A 780 -13.024 -11.890 -6.436 1.00 0.00 C ATOM 1079 CD ARG A 780 -12.357 -12.621 -7.580 1.00 0.00 C ATOM 1080 NE ARG A 780 -13.155 -13.751 -8.049 1.00 0.00 N ATOM 1081 CZ ARG A 780 -12.884 -14.438 -9.155 1.00 0.00 C ATOM 1082 NH1 ARG A 780 -11.836 -14.116 -9.902 1.00 0.00 N ATOM 1083 NH2 ARG A 780 -13.664 -15.448 -9.515 1.00 0.00 N ATOM 0 H ARG A 780 -9.393 -11.276 -6.280 1.00 0.00 H new ATOM 0 HA ARG A 780 -11.159 -10.363 -5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 780 -12.105 -13.221 -5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 780 -12.990 -11.905 -4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 780 -14.065 -12.204 -6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 780 -13.029 -10.819 -6.639 1.00 0.00 H new ATOM 0 HD2 ARG A 780 -12.191 -11.928 -8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 780 -11.378 -12.977 -7.260 1.00 0.00 H new ATOM 0 HE ARG A 780 -13.966 -14.029 -7.497 1.00 0.00 H new ATOM 0 HH11 ARG A 780 -11.234 -13.339 -9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 780 -11.632 -14.646 -10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 780 -14.471 -15.698 -8.944 1.00 0.00 H new ATOM 0 HH22 ARG A 780 -13.457 -15.975 -10.363 1.00 0.00 H new ATOM 1097 N TYR A 781 -9.366 -11.349 -3.202 1.00 0.00 N ATOM 1098 CA TYR A 781 -8.854 -11.332 -1.846 1.00 0.00 C ATOM 1099 C TYR A 781 -9.436 -10.181 -1.041 1.00 0.00 C ATOM 1100 O TYR A 781 -9.747 -10.344 0.136 1.00 0.00 O ATOM 1101 CB TYR A 781 -7.336 -11.219 -1.905 1.00 0.00 C ATOM 1102 CG TYR A 781 -6.644 -10.856 -0.616 1.00 0.00 C ATOM 1103 CD1 TYR A 781 -6.553 -9.537 -0.219 1.00 0.00 C ATOM 1104 CD2 TYR A 781 -6.039 -11.825 0.172 1.00 0.00 C ATOM 1105 CE1 TYR A 781 -5.882 -9.181 0.923 1.00 0.00 C ATOM 1106 CE2 TYR A 781 -5.369 -11.483 1.329 1.00 0.00 C ATOM 1107 CZ TYR A 781 -5.289 -10.157 1.700 1.00 0.00 C ATOM 1108 OH TYR A 781 -4.607 -9.808 2.844 1.00 0.00 O ATOM 0 H TYR A 781 -8.640 -11.360 -3.919 1.00 0.00 H new ATOM 0 HA TYR A 781 -9.147 -12.255 -1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 781 -6.935 -12.171 -2.252 1.00 0.00 H new ATOM 0 HB3 TYR A 781 -7.077 -10.471 -2.655 1.00 0.00 H new ATOM 0 HD1 TYR A 781 -7.019 -8.770 -0.820 1.00 0.00 H new ATOM 0 HD2 TYR A 781 -6.093 -12.862 -0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 781 -5.818 -8.143 1.213 1.00 0.00 H new ATOM 0 HE2 TYR A 781 -4.911 -12.248 1.939 1.00 0.00 H new ATOM 0 HH TYR A 781 -4.253 -10.615 3.273 1.00 0.00 H new ATOM 1118 N TYR A 782 -9.584 -9.023 -1.680 1.00 0.00 N ATOM 1119 CA TYR A 782 -10.095 -7.845 -1.000 1.00 0.00 C ATOM 1120 C TYR A 782 -11.549 -7.975 -0.639 1.00 0.00 C ATOM 1121 O TYR A 782 -12.432 -7.421 -1.296 1.00 0.00 O ATOM 1122 CB TYR A 782 -9.840 -6.598 -1.834 1.00 0.00 C ATOM 1123 CG TYR A 782 -8.415 -6.491 -2.184 1.00 0.00 C ATOM 1124 CD1 TYR A 782 -7.524 -6.082 -1.245 1.00 0.00 C ATOM 1125 CD2 TYR A 782 -7.948 -6.853 -3.418 1.00 0.00 C ATOM 1126 CE1 TYR A 782 -6.197 -6.032 -1.511 1.00 0.00 C ATOM 1127 CE2 TYR A 782 -6.609 -6.785 -3.698 1.00 0.00 C ATOM 1128 CZ TYR A 782 -5.740 -6.376 -2.733 1.00 0.00 C ATOM 1129 OH TYR A 782 -4.405 -6.342 -2.978 1.00 0.00 O ATOM 0 H TYR A 782 -9.357 -8.880 -2.664 1.00 0.00 H new ATOM 0 HA TYR A 782 -9.552 -7.751 -0.059 1.00 0.00 H new ATOM 0 HB2 TYR A 782 -10.441 -6.632 -2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 782 -10.151 -5.713 -1.279 1.00 0.00 H new ATOM 0 HD1 TYR A 782 -7.880 -5.791 -0.268 1.00 0.00 H new ATOM 0 HD2 TYR A 782 -8.639 -7.194 -4.175 1.00 0.00 H new ATOM 0 HE1 TYR A 782 -5.504 -5.717 -0.745 1.00 0.00 H new ATOM 0 HE2 TYR A 782 -6.245 -7.054 -4.678 1.00 0.00 H new ATOM 0 HH TYR A 782 -3.998 -5.609 -2.471 1.00 0.00 H new ATOM 1139 N VAL A 783 -11.784 -8.722 0.423 1.00 0.00 N ATOM 1140 CA VAL A 783 -13.112 -8.904 0.938 1.00 0.00 C ATOM 1141 C VAL A 783 -13.382 -7.783 1.902 1.00 0.00 C ATOM 1142 O VAL A 783 -14.339 -7.796 2.678 1.00 0.00 O ATOM 1143 CB VAL A 783 -13.259 -10.251 1.642 1.00 0.00 C ATOM 1144 CG1 VAL A 783 -13.181 -11.355 0.623 1.00 0.00 C ATOM 1145 CG2 VAL A 783 -12.192 -10.404 2.699 1.00 0.00 C ATOM 0 H VAL A 783 -11.059 -9.214 0.945 1.00 0.00 H new ATOM 0 HA VAL A 783 -13.829 -8.893 0.117 1.00 0.00 H new ATOM 0 HB VAL A 783 -14.228 -10.304 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 783 -13.286 -12.319 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 783 -13.983 -11.235 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 783 -12.218 -11.313 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 783 -12.306 -11.368 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 783 -11.208 -10.350 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 783 -12.290 -9.605 3.433 1.00 0.00 H new ATOM 1155 N SER A 784 -12.497 -6.806 1.821 1.00 0.00 N ATOM 1156 CA SER A 784 -12.538 -5.641 2.660 1.00 0.00 C ATOM 1157 C SER A 784 -11.644 -4.558 2.068 1.00 0.00 C ATOM 1158 O SER A 784 -10.458 -4.788 1.840 1.00 0.00 O ATOM 1159 CB SER A 784 -12.069 -6.027 4.045 1.00 0.00 C ATOM 1160 OG SER A 784 -13.159 -6.195 4.933 1.00 0.00 O ATOM 0 H SER A 784 -11.722 -6.808 1.158 1.00 0.00 H new ATOM 0 HA SER A 784 -13.554 -5.250 2.722 1.00 0.00 H new ATOM 0 HB2 SER A 784 -11.496 -6.953 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 784 -11.399 -5.259 4.431 1.00 0.00 H new ATOM 0 HG SER A 784 -13.851 -6.739 4.502 1.00 0.00 H new ATOM 1166 N LYS A 785 -12.213 -3.385 1.795 1.00 0.00 N ATOM 1167 CA LYS A 785 -11.441 -2.286 1.219 1.00 0.00 C ATOM 1168 C LYS A 785 -10.225 -1.978 2.074 1.00 0.00 C ATOM 1169 O LYS A 785 -9.330 -1.259 1.644 1.00 0.00 O ATOM 1170 CB LYS A 785 -12.299 -1.035 1.056 1.00 0.00 C ATOM 1171 CG LYS A 785 -12.413 -0.180 2.303 1.00 0.00 C ATOM 1172 CD LYS A 785 -13.850 0.267 2.503 1.00 0.00 C ATOM 1173 CE LYS A 785 -14.789 -0.918 2.660 1.00 0.00 C ATOM 1174 NZ LYS A 785 -14.523 -1.680 3.911 1.00 0.00 N ATOM 0 H LYS A 785 -13.197 -3.172 1.962 1.00 0.00 H new ATOM 0 HA LYS A 785 -11.105 -2.601 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 785 -11.883 -0.428 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 785 -13.300 -1.335 0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 785 -12.076 -0.745 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 785 -11.762 0.690 2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 785 -13.914 0.902 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 785 -14.165 0.871 1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 785 -15.820 -0.565 2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 785 -14.682 -1.581 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 785 -15.382 -2.194 4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 785 -13.752 -2.358 3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 785 -14.249 -1.021 4.667 1.00 0.00 H new ATOM 1188 N LYS A 786 -10.203 -2.513 3.296 1.00 0.00 N ATOM 1189 CA LYS A 786 -9.075 -2.293 4.184 1.00 0.00 C ATOM 1190 C LYS A 786 -7.920 -3.202 3.799 1.00 0.00 C ATOM 1191 O LYS A 786 -6.764 -2.857 3.995 1.00 0.00 O ATOM 1192 CB LYS A 786 -9.460 -2.498 5.652 1.00 0.00 C ATOM 1193 CG LYS A 786 -10.390 -1.424 6.202 1.00 0.00 C ATOM 1194 CD LYS A 786 -11.839 -1.677 5.815 1.00 0.00 C ATOM 1195 CE LYS A 786 -12.391 -2.921 6.495 1.00 0.00 C ATOM 1196 NZ LYS A 786 -13.839 -3.117 6.210 1.00 0.00 N ATOM 0 H LYS A 786 -10.946 -3.094 3.684 1.00 0.00 H new ATOM 0 HA LYS A 786 -8.760 -1.255 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 786 -9.941 -3.470 5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 786 -8.553 -2.523 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 786 -10.305 -1.391 7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 786 -10.079 -0.448 5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 786 -12.445 -0.813 6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 786 -11.913 -1.790 4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 786 -11.834 -3.795 6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 786 -12.241 -2.842 7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 -14.256 -3.730 6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 -14.322 -2.196 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 -13.952 -3.562 5.277 1.00 0.00 H new ATOM 1210 N LEU A 787 -8.236 -4.387 3.296 1.00 0.00 N ATOM 1211 CA LEU A 787 -7.209 -5.288 2.806 1.00 0.00 C ATOM 1212 C LEU A 787 -6.483 -4.549 1.743 1.00 0.00 C ATOM 1213 O LEU A 787 -5.260 -4.449 1.689 1.00 0.00 O ATOM 1214 CB LEU A 787 -7.858 -6.493 2.152 1.00 0.00 C ATOM 1215 CG LEU A 787 -8.227 -7.591 3.092 1.00 0.00 C ATOM 1216 CD1 LEU A 787 -8.962 -8.677 2.339 1.00 0.00 C ATOM 1217 CD2 LEU A 787 -6.975 -8.088 3.777 1.00 0.00 C ATOM 0 H LEU A 787 -9.189 -4.743 3.218 1.00 0.00 H new ATOM 0 HA LEU A 787 -6.560 -5.614 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -8.756 -6.165 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -7.177 -6.891 1.400 1.00 0.00 H new ATOM 0 HG LEU A 787 -8.905 -7.234 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -9.231 -9.479 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -9.866 -8.263 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -8.319 -9.074 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -7.232 -8.891 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -6.275 -8.462 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -6.513 -7.270 4.329 1.00 0.00 H new ATOM 1229 N PHE A 788 -7.332 -4.040 0.901 1.00 0.00 N ATOM 1230 CA PHE A 788 -6.981 -3.257 -0.223 1.00 0.00 C ATOM 1231 C PHE A 788 -6.247 -2.016 0.188 1.00 0.00 C ATOM 1232 O PHE A 788 -5.234 -1.647 -0.406 1.00 0.00 O ATOM 1233 CB PHE A 788 -8.253 -2.934 -0.915 1.00 0.00 C ATOM 1234 CG PHE A 788 -7.947 -2.517 -2.262 1.00 0.00 C ATOM 1235 CD1 PHE A 788 -7.642 -1.240 -2.424 1.00 0.00 C ATOM 1236 CD2 PHE A 788 -7.916 -3.371 -3.331 1.00 0.00 C ATOM 1237 CE1 PHE A 788 -7.305 -0.743 -3.622 1.00 0.00 C ATOM 1238 CE2 PHE A 788 -7.576 -2.886 -4.568 1.00 0.00 C ATOM 1239 CZ PHE A 788 -7.272 -1.564 -4.710 1.00 0.00 C ATOM 0 H PHE A 788 -8.339 -4.173 0.994 1.00 0.00 H new ATOM 0 HA PHE A 788 -6.304 -3.797 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 788 -8.909 -3.804 -0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 788 -8.783 -2.143 -0.384 1.00 0.00 H new ATOM 0 HD1 PHE A 788 -7.665 -0.581 -1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 788 -8.157 -4.416 -3.202 1.00 0.00 H new ATOM 0 HE1 PHE A 788 -7.060 0.304 -3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 788 -7.549 -3.546 -5.423 1.00 0.00 H new ATOM 0 HZ PHE A 788 -7.006 -1.169 -5.680 1.00 0.00 H new ATOM 1249 N MET A 789 -6.760 -1.376 1.203 1.00 0.00 N ATOM 1250 CA MET A 789 -6.143 -0.188 1.703 1.00 0.00 C ATOM 1251 C MET A 789 -4.763 -0.518 2.209 1.00 0.00 C ATOM 1252 O MET A 789 -3.776 -0.100 1.645 1.00 0.00 O ATOM 1253 CB MET A 789 -6.983 0.383 2.806 1.00 0.00 C ATOM 1254 CG MET A 789 -8.048 1.302 2.274 1.00 0.00 C ATOM 1255 SD MET A 789 -8.129 2.830 3.193 1.00 0.00 S ATOM 1256 CE MET A 789 -7.438 3.904 1.953 1.00 0.00 C ATOM 0 H MET A 789 -7.605 -1.661 1.698 1.00 0.00 H new ATOM 0 HA MET A 789 -6.059 0.551 0.906 1.00 0.00 H new ATOM 0 HB2 MET A 789 -7.448 -0.428 3.366 1.00 0.00 H new ATOM 0 HB3 MET A 789 -6.347 0.928 3.503 1.00 0.00 H new ATOM 0 HG2 MET A 789 -7.849 1.520 1.225 1.00 0.00 H new ATOM 0 HG3 MET A 789 -9.015 0.801 2.317 1.00 0.00 H new ATOM 0 HE1 MET A 789 -6.916 4.729 2.437 1.00 0.00 H new ATOM 0 HE2 MET A 789 -6.737 3.343 1.336 1.00 0.00 H new ATOM 0 HE3 MET A 789 -8.238 4.298 1.326 1.00 0.00 H new ATOM 1266 N ALA A 790 -4.736 -1.335 3.243 1.00 0.00 N ATOM 1267 CA ALA A 790 -3.505 -1.772 3.884 1.00 0.00 C ATOM 1268 C ALA A 790 -2.422 -2.178 2.900 1.00 0.00 C ATOM 1269 O ALA A 790 -1.292 -1.721 3.001 1.00 0.00 O ATOM 1270 CB ALA A 790 -3.808 -2.961 4.765 1.00 0.00 C ATOM 0 H ALA A 790 -5.578 -1.721 3.670 1.00 0.00 H new ATOM 0 HA ALA A 790 -3.129 -0.922 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 790 -2.892 -3.297 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 790 -4.537 -2.676 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 790 -4.214 -3.770 4.158 1.00 0.00 H new ATOM 1276 N ASP A 791 -2.773 -3.054 1.967 1.00 0.00 N ATOM 1277 CA ASP A 791 -1.817 -3.563 0.992 1.00 0.00 C ATOM 1278 C ASP A 791 -1.387 -2.483 -0.002 1.00 0.00 C ATOM 1279 O ASP A 791 -0.201 -2.252 -0.192 1.00 0.00 O ATOM 1280 CB ASP A 791 -2.386 -4.786 0.285 1.00 0.00 C ATOM 1281 CG ASP A 791 -2.520 -5.979 1.213 1.00 0.00 C ATOM 1282 OD1 ASP A 791 -1.501 -6.380 1.814 1.00 0.00 O ATOM 1283 OD2 ASP A 791 -3.644 -6.509 1.341 1.00 0.00 O ATOM 0 H ASP A 791 -3.716 -3.428 1.865 1.00 0.00 H new ATOM 0 HA ASP A 791 -0.917 -3.866 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 791 -3.363 -4.540 -0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 791 -1.741 -5.051 -0.553 1.00 0.00 H new ATOM 1288 N LEU A 792 -2.318 -1.824 -0.667 1.00 0.00 N ATOM 1289 CA LEU A 792 -1.909 -0.758 -1.572 1.00 0.00 C ATOM 1290 C LEU A 792 -1.115 0.234 -0.762 1.00 0.00 C ATOM 1291 O LEU A 792 -0.149 0.835 -1.233 1.00 0.00 O ATOM 1292 CB LEU A 792 -3.108 -0.046 -2.192 1.00 0.00 C ATOM 1293 CG LEU A 792 -3.186 -0.067 -3.695 1.00 0.00 C ATOM 1294 CD1 LEU A 792 -4.274 0.875 -4.147 1.00 0.00 C ATOM 1295 CD2 LEU A 792 -1.850 0.297 -4.300 1.00 0.00 C ATOM 0 H LEU A 792 -3.322 -1.994 -0.606 1.00 0.00 H new ATOM 0 HA LEU A 792 -1.324 -1.184 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 792 -4.018 -0.497 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 792 -3.097 0.993 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 792 -3.432 -1.073 -4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 792 -4.336 0.864 -5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 792 -5.228 0.557 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 792 -4.046 1.885 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 792 -1.925 0.277 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 792 -1.564 1.297 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 792 -1.096 -0.420 -3.975 1.00 0.00 H new ATOM 1307 N GLN A 793 -1.533 0.364 0.483 1.00 0.00 N ATOM 1308 CA GLN A 793 -0.890 1.251 1.417 1.00 0.00 C ATOM 1309 C GLN A 793 0.417 0.628 1.829 1.00 0.00 C ATOM 1310 O GLN A 793 1.332 1.291 2.299 1.00 0.00 O ATOM 1311 CB GLN A 793 -1.777 1.478 2.629 1.00 0.00 C ATOM 1312 CG GLN A 793 -2.919 2.428 2.360 1.00 0.00 C ATOM 1313 CD GLN A 793 -3.856 2.549 3.547 1.00 0.00 C ATOM 1314 OE1 GLN A 793 -5.139 2.770 3.284 1.00 0.00 O flip ATOM 1315 NE2 GLN A 793 -3.429 2.434 4.696 1.00 0.00 N flip ATOM 0 H GLN A 793 -2.328 -0.145 0.869 1.00 0.00 H new ATOM 0 HA GLN A 793 -0.711 2.220 0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 793 -2.179 0.521 2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 793 -1.171 1.870 3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 793 -2.520 3.412 2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 793 -3.479 2.083 1.491 1.00 0.00 H new ATOM 0 HE21 GLN A 793 -2.436 2.265 4.856 1.00 0.00 H new ATOM 0 HE22 GLN A 793 -4.068 2.508 5.487 1.00 0.00 H new ATOM 1324 N ARG A 794 0.459 -0.676 1.644 1.00 0.00 N ATOM 1325 CA ARG A 794 1.624 -1.476 1.944 1.00 0.00 C ATOM 1326 C ARG A 794 2.694 -1.201 0.889 1.00 0.00 C ATOM 1327 O ARG A 794 3.884 -1.377 1.142 1.00 0.00 O ATOM 1328 CB ARG A 794 1.226 -2.960 1.979 1.00 0.00 C ATOM 1329 CG ARG A 794 2.262 -3.861 2.594 1.00 0.00 C ATOM 1330 CD ARG A 794 2.200 -3.759 4.096 1.00 0.00 C ATOM 1331 NE ARG A 794 1.685 -4.976 4.716 1.00 0.00 N ATOM 1332 CZ ARG A 794 1.144 -5.009 5.931 1.00 0.00 C ATOM 1333 NH1 ARG A 794 1.078 -3.904 6.660 1.00 0.00 N ATOM 1334 NH2 ARG A 794 0.672 -6.148 6.418 1.00 0.00 N ATOM 0 H ARG A 794 -0.326 -1.214 1.277 1.00 0.00 H new ATOM 0 HA ARG A 794 2.031 -1.217 2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 794 0.295 -3.062 2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 794 1.027 -3.295 0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 794 2.092 -4.892 2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 794 3.255 -3.582 2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 794 3.197 -3.550 4.485 1.00 0.00 H new ATOM 0 HD3 ARG A 794 1.567 -2.917 4.374 1.00 0.00 H new ATOM 0 HE ARG A 794 1.743 -5.848 4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 794 1.442 -3.026 6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 794 0.663 -3.931 7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 794 0.723 -7.001 5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 794 0.258 -6.171 7.350 1.00 0.00 H new ATOM 1348 N VAL A 795 2.252 -0.747 -0.296 1.00 0.00 N ATOM 1349 CA VAL A 795 3.174 -0.411 -1.383 1.00 0.00 C ATOM 1350 C VAL A 795 3.689 1.012 -1.203 1.00 0.00 C ATOM 1351 O VAL A 795 4.871 1.290 -1.402 1.00 0.00 O ATOM 1352 CB VAL A 795 2.533 -0.573 -2.790 1.00 0.00 C ATOM 1353 CG1 VAL A 795 1.319 -1.462 -2.714 1.00 0.00 C ATOM 1354 CG2 VAL A 795 2.170 0.757 -3.431 1.00 0.00 C ATOM 0 H VAL A 795 1.267 -0.606 -0.520 1.00 0.00 H new ATOM 0 HA VAL A 795 4.003 -1.117 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 795 3.287 -1.037 -3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 795 0.881 -1.566 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 795 1.610 -2.444 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 795 0.586 -1.020 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 795 1.727 0.580 -4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 795 1.454 1.282 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 795 3.068 1.364 -3.544 1.00 0.00 H new ATOM 1364 N PHE A 796 2.785 1.913 -0.830 1.00 0.00 N ATOM 1365 CA PHE A 796 3.155 3.307 -0.590 1.00 0.00 C ATOM 1366 C PHE A 796 4.024 3.382 0.656 1.00 0.00 C ATOM 1367 O PHE A 796 5.040 4.071 0.681 1.00 0.00 O ATOM 1368 CB PHE A 796 1.931 4.193 -0.372 1.00 0.00 C ATOM 1369 CG PHE A 796 0.720 3.823 -1.179 1.00 0.00 C ATOM 1370 CD1 PHE A 796 0.807 3.539 -2.524 1.00 0.00 C ATOM 1371 CD2 PHE A 796 -0.507 3.738 -0.577 1.00 0.00 C ATOM 1372 CE1 PHE A 796 -0.306 3.177 -3.249 1.00 0.00 C ATOM 1373 CE2 PHE A 796 -1.617 3.378 -1.298 1.00 0.00 C ATOM 1374 CZ PHE A 796 -1.509 3.097 -2.638 1.00 0.00 C ATOM 0 H PHE A 796 1.796 1.706 -0.688 1.00 0.00 H new ATOM 0 HA PHE A 796 3.689 3.664 -1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 796 1.666 4.165 0.685 1.00 0.00 H new ATOM 0 HB3 PHE A 796 2.202 5.223 -0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 796 1.765 3.601 -3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 796 -0.602 3.957 0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 796 -0.218 2.958 -4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 796 -2.579 3.315 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 796 -2.384 2.812 -3.203 1.00 0.00 H new ATOM 1384 N THR A 797 3.601 2.652 1.691 1.00 0.00 N ATOM 1385 CA THR A 797 4.314 2.628 2.963 1.00 0.00 C ATOM 1386 C THR A 797 5.689 1.997 2.809 1.00 0.00 C ATOM 1387 O THR A 797 6.657 2.493 3.370 1.00 0.00 O ATOM 1388 CB THR A 797 3.535 1.855 4.057 1.00 0.00 C ATOM 1389 OG1 THR A 797 3.938 2.303 5.356 1.00 0.00 O ATOM 1390 CG2 THR A 797 3.774 0.359 3.944 1.00 0.00 C ATOM 0 H THR A 797 2.765 2.069 1.669 1.00 0.00 H new ATOM 0 HA THR A 797 4.415 3.668 3.273 1.00 0.00 H new ATOM 0 HB THR A 797 2.472 2.050 3.914 1.00 0.00 H new ATOM 0 HG1 THR A 797 3.440 1.810 6.041 1.00 0.00 H new ATOM 0 HG21 THR A 797 3.215 -0.159 4.724 1.00 0.00 H new ATOM 0 HG22 THR A 797 3.441 0.010 2.967 1.00 0.00 H new ATOM 0 HG23 THR A 797 4.838 0.151 4.060 1.00 0.00 H new ATOM 1398 N ASN A 798 5.771 0.884 2.072 1.00 0.00 N ATOM 1399 CA ASN A 798 7.048 0.227 1.865 1.00 0.00 C ATOM 1400 C ASN A 798 7.910 1.113 0.997 1.00 0.00 C ATOM 1401 O ASN A 798 9.137 1.132 1.125 1.00 0.00 O ATOM 1402 CB ASN A 798 6.879 -1.170 1.267 1.00 0.00 C ATOM 1403 CG ASN A 798 6.438 -1.188 -0.185 1.00 0.00 C ATOM 1404 OD1 ASN A 798 6.766 -0.300 -0.968 1.00 0.00 O ATOM 1405 ND2 ASN A 798 5.701 -2.225 -0.559 1.00 0.00 N ATOM 0 H ASN A 798 4.977 0.432 1.619 1.00 0.00 H new ATOM 0 HA ASN A 798 7.539 0.080 2.827 1.00 0.00 H new ATOM 0 HB2 ASN A 798 7.825 -1.704 1.352 1.00 0.00 H new ATOM 0 HB3 ASN A 798 6.149 -1.719 1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 798 5.387 -2.305 -1.526 1.00 0.00 H new ATOM 0 HD22 ASN A 798 5.449 -2.943 0.120 1.00 0.00 H new ATOM 1412 N CYS A 799 7.255 1.888 0.132 1.00 0.00 N ATOM 1413 CA CYS A 799 7.977 2.787 -0.723 1.00 0.00 C ATOM 1414 C CYS A 799 8.488 3.953 0.111 1.00 0.00 C ATOM 1415 O CYS A 799 9.526 4.545 -0.163 1.00 0.00 O ATOM 1416 CB CYS A 799 7.136 3.268 -1.877 1.00 0.00 C ATOM 1417 SG CYS A 799 8.004 4.468 -2.899 1.00 0.00 S ATOM 0 H CYS A 799 6.242 1.901 0.017 1.00 0.00 H new ATOM 0 HA CYS A 799 8.820 2.253 -1.162 1.00 0.00 H new ATOM 0 HB2 CYS A 799 6.843 2.416 -2.490 1.00 0.00 H new ATOM 0 HB3 CYS A 799 6.219 3.716 -1.494 1.00 0.00 H new ATOM 0 HG CYS A 799 7.697 4.278 -4.148 1.00 0.00 H new ATOM 1423 N LYS A 800 7.708 4.261 1.132 1.00 0.00 N ATOM 1424 CA LYS A 800 8.000 5.314 2.093 1.00 0.00 C ATOM 1425 C LYS A 800 8.953 4.810 3.179 1.00 0.00 C ATOM 1426 O LYS A 800 9.680 5.575 3.811 1.00 0.00 O ATOM 1427 CB LYS A 800 6.689 5.696 2.739 1.00 0.00 C ATOM 1428 CG LYS A 800 5.877 6.697 1.969 1.00 0.00 C ATOM 1429 CD LYS A 800 4.411 6.576 2.321 1.00 0.00 C ATOM 1430 CE LYS A 800 3.591 7.495 1.464 1.00 0.00 C ATOM 1431 NZ LYS A 800 2.414 8.042 2.190 1.00 0.00 N ATOM 0 H LYS A 800 6.832 3.775 1.322 1.00 0.00 H new ATOM 0 HA LYS A 800 8.471 6.159 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 800 6.092 4.795 2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 800 6.893 6.100 3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 800 6.228 7.705 2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 800 6.014 6.539 0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 800 4.081 5.547 2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 800 4.262 6.819 3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 800 4.216 8.318 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 800 3.251 6.957 0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.788 8.531 1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 1.894 7.264 2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 2.735 8.714 2.916 1.00 0.00 H new ATOM 1445 N GLU A 801 8.914 3.499 3.375 1.00 0.00 N ATOM 1446 CA GLU A 801 9.689 2.808 4.405 1.00 0.00 C ATOM 1447 C GLU A 801 11.177 2.816 4.150 1.00 0.00 C ATOM 1448 O GLU A 801 11.967 3.365 4.914 1.00 0.00 O ATOM 1449 CB GLU A 801 9.271 1.341 4.389 1.00 0.00 C ATOM 1450 CG GLU A 801 8.775 0.795 5.711 1.00 0.00 C ATOM 1451 CD GLU A 801 8.930 -0.710 5.816 1.00 0.00 C ATOM 1452 OE1 GLU A 801 8.574 -1.412 4.846 1.00 0.00 O ATOM 1453 OE2 GLU A 801 9.399 -1.185 6.870 1.00 0.00 O ATOM 0 H GLU A 801 8.335 2.873 2.816 1.00 0.00 H new ATOM 0 HA GLU A 801 9.496 3.323 5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 801 8.486 1.212 3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 801 10.121 0.742 4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 801 9.323 1.270 6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 801 7.725 1.058 5.837 1.00 0.00 H new ATOM 1460 N TYR A 802 11.523 2.207 3.041 1.00 0.00 N ATOM 1461 CA TYR A 802 12.897 2.018 2.641 1.00 0.00 C ATOM 1462 C TYR A 802 13.448 3.190 1.868 1.00 0.00 C ATOM 1463 O TYR A 802 14.411 3.832 2.277 1.00 0.00 O ATOM 1464 CB TYR A 802 12.898 0.809 1.746 1.00 0.00 C ATOM 1465 CG TYR A 802 14.212 0.414 1.170 1.00 0.00 C ATOM 1466 CD1 TYR A 802 15.447 0.827 1.651 1.00 0.00 C ATOM 1467 CD2 TYR A 802 14.169 -0.380 0.093 1.00 0.00 C ATOM 1468 CE1 TYR A 802 16.610 0.413 1.022 1.00 0.00 C ATOM 1469 CE2 TYR A 802 15.287 -0.800 -0.554 1.00 0.00 C ATOM 1470 CZ TYR A 802 16.524 -0.406 -0.090 1.00 0.00 C ATOM 1471 OH TYR A 802 17.667 -0.819 -0.734 1.00 0.00 O ATOM 0 H TYR A 802 10.847 1.823 2.381 1.00 0.00 H new ATOM 0 HA TYR A 802 13.522 1.907 3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 802 12.505 -0.036 2.312 1.00 0.00 H new ATOM 0 HB3 TYR A 802 12.206 0.992 0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 802 15.501 1.471 2.516 1.00 0.00 H new ATOM 0 HD2 TYR A 802 13.206 -0.700 -0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 802 17.574 0.726 1.396 1.00 0.00 H new ATOM 0 HE2 TYR A 802 15.208 -1.436 -1.423 1.00 0.00 H new ATOM 0 HH TYR A 802 18.104 -1.520 -0.207 1.00 0.00 H new ATOM 1481 N ASN A 803 12.814 3.456 0.751 1.00 0.00 N ATOM 1482 CA ASN A 803 13.236 4.530 -0.125 1.00 0.00 C ATOM 1483 C ASN A 803 13.247 5.852 0.611 1.00 0.00 C ATOM 1484 O ASN A 803 12.550 6.015 1.610 1.00 0.00 O ATOM 1485 CB ASN A 803 12.303 4.622 -1.332 1.00 0.00 C ATOM 1486 CG ASN A 803 12.408 3.412 -2.237 1.00 0.00 C ATOM 1487 OD1 ASN A 803 13.491 2.857 -2.430 1.00 0.00 O ATOM 1488 ND2 ASN A 803 11.278 2.987 -2.788 1.00 0.00 N ATOM 0 H ASN A 803 11.997 2.941 0.423 1.00 0.00 H new ATOM 0 HA ASN A 803 14.248 4.312 -0.466 1.00 0.00 H new ATOM 0 HB2 ASN A 803 11.275 4.725 -0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 803 12.539 5.520 -1.902 1.00 0.00 H new ATOM 0 HD21 ASN A 803 11.284 2.170 -3.399 1.00 0.00 H new ATOM 0 HD22 ASN A 803 10.403 3.477 -2.601 1.00 0.00 H new ATOM 1495 N PRO A 804 14.117 6.773 0.182 1.00 0.00 N ATOM 1496 CA PRO A 804 14.184 8.121 0.737 1.00 0.00 C ATOM 1497 C PRO A 804 13.205 9.045 0.018 1.00 0.00 C ATOM 1498 O PRO A 804 12.938 8.860 -1.166 1.00 0.00 O ATOM 1499 CB PRO A 804 15.610 8.535 0.437 1.00 0.00 C ATOM 1500 CG PRO A 804 15.914 7.855 -0.857 1.00 0.00 C ATOM 1501 CD PRO A 804 15.170 6.546 -0.829 1.00 0.00 C ATOM 0 HA PRO A 804 13.928 8.166 1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 804 15.703 9.618 0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 804 16.293 8.218 1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 804 15.596 8.466 -1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 804 16.986 7.691 -0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 804 14.746 6.304 -1.804 1.00 0.00 H new ATOM 0 HD3 PRO A 804 15.823 5.719 -0.551 1.00 0.00 H new ATOM 1509 N PRO A 805 12.660 10.058 0.711 1.00 0.00 N ATOM 1510 CA PRO A 805 11.694 10.987 0.117 1.00 0.00 C ATOM 1511 C PRO A 805 12.328 11.844 -0.975 1.00 0.00 C ATOM 1512 O PRO A 805 11.719 12.792 -1.472 1.00 0.00 O ATOM 1513 CB PRO A 805 11.235 11.853 1.297 1.00 0.00 C ATOM 1514 CG PRO A 805 11.736 11.163 2.523 1.00 0.00 C ATOM 1515 CD PRO A 805 12.955 10.396 2.103 1.00 0.00 C ATOM 0 HA PRO A 805 10.871 10.464 -0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 805 11.640 12.862 1.223 1.00 0.00 H new ATOM 0 HB3 PRO A 805 10.149 11.946 1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 805 11.979 11.884 3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 805 10.977 10.495 2.931 1.00 0.00 H new ATOM 0 HD2 PRO A 805 13.861 10.996 2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 805 13.103 9.505 2.713 1.00 0.00 H new ATOM 1523 N GLU A 806 13.561 11.497 -1.338 1.00 0.00 N ATOM 1524 CA GLU A 806 14.299 12.215 -2.367 1.00 0.00 C ATOM 1525 C GLU A 806 14.608 11.307 -3.553 1.00 0.00 C ATOM 1526 O GLU A 806 14.945 11.783 -4.637 1.00 0.00 O ATOM 1527 CB GLU A 806 15.607 12.749 -1.790 1.00 0.00 C ATOM 1528 CG GLU A 806 15.418 13.686 -0.608 1.00 0.00 C ATOM 1529 CD GLU A 806 16.732 14.234 -0.086 1.00 0.00 C ATOM 1530 OE1 GLU A 806 17.168 15.297 -0.575 1.00 0.00 O ATOM 1531 OE2 GLU A 806 17.324 13.600 0.812 1.00 0.00 O ATOM 0 H GLU A 806 14.071 10.715 -0.928 1.00 0.00 H new ATOM 0 HA GLU A 806 13.679 13.043 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 806 16.227 11.908 -1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 806 16.152 13.274 -2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 806 14.775 14.514 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 806 14.905 13.155 0.194 1.00 0.00 H new ATOM 1538 N SER A 807 14.497 9.997 -3.336 1.00 0.00 N ATOM 1539 CA SER A 807 14.773 9.020 -4.388 1.00 0.00 C ATOM 1540 C SER A 807 13.976 9.329 -5.639 1.00 0.00 C ATOM 1541 O SER A 807 14.483 9.949 -6.575 1.00 0.00 O ATOM 1542 CB SER A 807 14.447 7.603 -3.919 1.00 0.00 C ATOM 1543 OG SER A 807 13.179 7.545 -3.291 1.00 0.00 O ATOM 0 H SER A 807 14.219 9.589 -2.444 1.00 0.00 H new ATOM 0 HA SER A 807 15.837 9.083 -4.618 1.00 0.00 H new ATOM 0 HB2 SER A 807 14.464 6.923 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 807 15.215 7.263 -3.224 1.00 0.00 H new ATOM 0 HG SER A 807 13.239 7.937 -2.395 1.00 0.00 H new ATOM 1549 N GLU A 808 12.720 8.903 -5.633 1.00 0.00 N ATOM 1550 CA GLU A 808 11.832 9.100 -6.763 1.00 0.00 C ATOM 1551 C GLU A 808 10.516 8.372 -6.529 1.00 0.00 C ATOM 1552 O GLU A 808 9.438 8.952 -6.667 1.00 0.00 O ATOM 1553 CB GLU A 808 12.503 8.586 -8.037 1.00 0.00 C ATOM 1554 CG GLU A 808 11.532 8.208 -9.131 1.00 0.00 C ATOM 1555 CD GLU A 808 12.178 8.218 -10.503 1.00 0.00 C ATOM 1556 OE1 GLU A 808 13.035 7.346 -10.763 1.00 0.00 O ATOM 1557 OE2 GLU A 808 11.831 9.100 -11.316 1.00 0.00 O ATOM 0 H GLU A 808 12.293 8.414 -4.847 1.00 0.00 H new ATOM 0 HA GLU A 808 11.623 10.164 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 808 13.180 9.353 -8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 808 13.113 7.717 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 808 11.129 7.216 -8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 808 10.691 8.901 -9.123 1.00 0.00 H new ATOM 1564 N TYR A 809 10.616 7.096 -6.173 1.00 0.00 N ATOM 1565 CA TYR A 809 9.434 6.284 -5.915 1.00 0.00 C ATOM 1566 C TYR A 809 8.746 6.734 -4.640 1.00 0.00 C ATOM 1567 O TYR A 809 7.520 6.748 -4.555 1.00 0.00 O ATOM 1568 CB TYR A 809 9.782 4.818 -5.791 1.00 0.00 C ATOM 1569 CG TYR A 809 11.048 4.429 -6.485 1.00 0.00 C ATOM 1570 CD1 TYR A 809 11.385 4.876 -7.750 1.00 0.00 C ATOM 1571 CD2 TYR A 809 11.915 3.627 -5.832 1.00 0.00 C ATOM 1572 CE1 TYR A 809 12.578 4.499 -8.335 1.00 0.00 C ATOM 1573 CE2 TYR A 809 13.095 3.243 -6.376 1.00 0.00 C ATOM 1574 CZ TYR A 809 13.436 3.677 -7.641 1.00 0.00 C ATOM 1575 OH TYR A 809 14.626 3.295 -8.210 1.00 0.00 O ATOM 0 H TYR A 809 11.501 6.603 -6.057 1.00 0.00 H new ATOM 0 HA TYR A 809 8.764 6.416 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 809 9.867 4.564 -4.734 1.00 0.00 H new ATOM 0 HB3 TYR A 809 8.962 4.226 -6.196 1.00 0.00 H new ATOM 0 HD1 TYR A 809 10.709 5.526 -8.285 1.00 0.00 H new ATOM 0 HD2 TYR A 809 11.660 3.279 -4.842 1.00 0.00 H new ATOM 0 HE1 TYR A 809 12.834 4.845 -9.325 1.00 0.00 H new ATOM 0 HE2 TYR A 809 13.765 2.601 -5.823 1.00 0.00 H new ATOM 0 HH TYR A 809 14.463 2.965 -9.118 1.00 0.00 H new ATOM 1585 N TYR A 810 9.551 7.083 -3.637 1.00 0.00 N ATOM 1586 CA TYR A 810 9.024 7.518 -2.350 1.00 0.00 C ATOM 1587 C TYR A 810 7.907 8.530 -2.539 1.00 0.00 C ATOM 1588 O TYR A 810 6.781 8.320 -2.096 1.00 0.00 O ATOM 1589 CB TYR A 810 10.132 8.130 -1.497 1.00 0.00 C ATOM 1590 CG TYR A 810 9.775 8.250 -0.035 1.00 0.00 C ATOM 1591 CD1 TYR A 810 8.562 8.767 0.358 1.00 0.00 C ATOM 1592 CD2 TYR A 810 10.652 7.841 0.945 1.00 0.00 C ATOM 1593 CE1 TYR A 810 8.236 8.878 1.691 1.00 0.00 C ATOM 1594 CE2 TYR A 810 10.339 7.946 2.283 1.00 0.00 C ATOM 1595 CZ TYR A 810 9.127 8.467 2.652 1.00 0.00 C ATOM 1596 OH TYR A 810 8.801 8.576 3.984 1.00 0.00 O ATOM 0 H TYR A 810 10.569 7.072 -3.694 1.00 0.00 H new ATOM 0 HA TYR A 810 8.623 6.643 -1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 810 11.031 7.522 -1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 810 10.373 9.119 -1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 810 7.854 9.091 -0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 810 11.608 7.428 0.658 1.00 0.00 H new ATOM 0 HE1 TYR A 810 7.280 9.288 1.981 1.00 0.00 H new ATOM 0 HE2 TYR A 810 11.043 7.620 3.034 1.00 0.00 H new ATOM 0 HH TYR A 810 8.928 7.709 4.424 1.00 0.00 H new ATOM 1606 N LYS A 811 8.227 9.638 -3.174 1.00 0.00 N ATOM 1607 CA LYS A 811 7.232 10.665 -3.420 1.00 0.00 C ATOM 1608 C LYS A 811 6.105 10.075 -4.229 1.00 0.00 C ATOM 1609 O LYS A 811 4.949 10.415 -4.034 1.00 0.00 O ATOM 1610 CB LYS A 811 7.831 11.839 -4.175 1.00 0.00 C ATOM 1611 CG LYS A 811 9.341 11.796 -4.264 1.00 0.00 C ATOM 1612 CD LYS A 811 9.842 12.645 -5.411 1.00 0.00 C ATOM 1613 CE LYS A 811 9.528 14.102 -5.161 1.00 0.00 C ATOM 1614 NZ LYS A 811 10.657 14.809 -4.495 1.00 0.00 N ATOM 0 H LYS A 811 9.160 9.851 -3.527 1.00 0.00 H new ATOM 0 HA LYS A 811 6.863 11.027 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 811 7.417 11.861 -5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 811 7.531 12.766 -3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 811 9.774 12.151 -3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 811 9.672 10.766 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 811 10.918 12.513 -5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 811 9.378 12.321 -6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 811 9.301 14.592 -6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 811 8.635 14.179 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 10.401 15.805 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 10.857 14.358 -3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 11.503 14.758 -5.098 1.00 0.00 H new ATOM 1628 N CYS A 812 6.463 9.194 -5.150 1.00 0.00 N ATOM 1629 CA CYS A 812 5.483 8.524 -5.982 1.00 0.00 C ATOM 1630 C CYS A 812 4.545 7.707 -5.109 1.00 0.00 C ATOM 1631 O CYS A 812 3.421 7.416 -5.491 1.00 0.00 O ATOM 1632 CB CYS A 812 6.184 7.617 -6.990 1.00 0.00 C ATOM 1633 SG CYS A 812 6.699 8.449 -8.511 1.00 0.00 S ATOM 0 H CYS A 812 7.429 8.927 -5.339 1.00 0.00 H new ATOM 0 HA CYS A 812 4.905 9.271 -6.526 1.00 0.00 H new ATOM 0 HB2 CYS A 812 7.061 7.177 -6.516 1.00 0.00 H new ATOM 0 HB3 CYS A 812 5.515 6.796 -7.248 1.00 0.00 H new ATOM 0 HG CYS A 812 7.905 8.911 -8.366 1.00 0.00 H new ATOM 1639 N ALA A 813 5.024 7.344 -3.929 1.00 0.00 N ATOM 1640 CA ALA A 813 4.233 6.572 -2.986 1.00 0.00 C ATOM 1641 C ALA A 813 3.207 7.471 -2.321 1.00 0.00 C ATOM 1642 O ALA A 813 2.037 7.131 -2.234 1.00 0.00 O ATOM 1643 CB ALA A 813 5.139 5.927 -1.954 1.00 0.00 C ATOM 0 H ALA A 813 5.962 7.574 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 813 3.705 5.780 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 813 4.537 5.350 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 813 5.847 5.266 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 813 5.685 6.701 -1.414 1.00 0.00 H new ATOM 1649 N ASN A 814 3.673 8.620 -1.859 1.00 0.00 N ATOM 1650 CA ASN A 814 2.838 9.620 -1.225 1.00 0.00 C ATOM 1651 C ASN A 814 1.849 10.178 -2.235 1.00 0.00 C ATOM 1652 O ASN A 814 0.666 10.379 -1.955 1.00 0.00 O ATOM 1653 CB ASN A 814 3.734 10.746 -0.740 1.00 0.00 C ATOM 1654 CG ASN A 814 3.088 11.600 0.333 1.00 0.00 C ATOM 1655 OD1 ASN A 814 1.868 11.759 0.367 1.00 0.00 O ATOM 1656 ND2 ASN A 814 3.907 12.157 1.219 1.00 0.00 N ATOM 0 H ASN A 814 4.656 8.885 -1.916 1.00 0.00 H new ATOM 0 HA ASN A 814 2.291 9.176 -0.394 1.00 0.00 H new ATOM 0 HB2 ASN A 814 4.660 10.323 -0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 814 4.003 11.378 -1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 814 3.530 12.743 1.964 1.00 0.00 H new ATOM 0 HD22 ASN A 814 4.913 11.999 1.154 1.00 0.00 H new ATOM 1663 N ILE A 815 2.381 10.404 -3.422 1.00 0.00 N ATOM 1664 CA ILE A 815 1.640 10.944 -4.542 1.00 0.00 C ATOM 1665 C ILE A 815 0.548 9.990 -4.945 1.00 0.00 C ATOM 1666 O ILE A 815 -0.624 10.350 -5.013 1.00 0.00 O ATOM 1667 CB ILE A 815 2.583 11.193 -5.714 1.00 0.00 C ATOM 1668 CG1 ILE A 815 3.336 12.485 -5.467 1.00 0.00 C ATOM 1669 CG2 ILE A 815 1.835 11.224 -7.032 1.00 0.00 C ATOM 1670 CD1 ILE A 815 4.647 12.537 -6.173 1.00 0.00 C ATOM 0 H ILE A 815 3.360 10.213 -3.637 1.00 0.00 H new ATOM 0 HA ILE A 815 1.186 11.890 -4.247 1.00 0.00 H new ATOM 0 HB ILE A 815 3.295 10.371 -5.786 1.00 0.00 H new ATOM 0 HG12 ILE A 815 2.721 13.325 -5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 815 3.501 12.604 -4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 815 2.538 11.404 -7.845 1.00 0.00 H new ATOM 0 HG22 ILE A 815 1.335 10.268 -7.189 1.00 0.00 H new ATOM 0 HG23 ILE A 815 1.093 12.022 -7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 815 5.139 13.486 -5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 815 5.277 11.716 -5.831 1.00 0.00 H new ATOM 0 HD13 ILE A 815 4.486 12.448 -7.247 1.00 0.00 H new ATOM 1682 N LEU A 816 0.957 8.772 -5.237 1.00 0.00 N ATOM 1683 CA LEU A 816 0.023 7.734 -5.583 1.00 0.00 C ATOM 1684 C LEU A 816 -0.971 7.614 -4.459 1.00 0.00 C ATOM 1685 O LEU A 816 -2.167 7.712 -4.658 1.00 0.00 O ATOM 1686 CB LEU A 816 0.755 6.417 -5.768 1.00 0.00 C ATOM 1687 CG LEU A 816 0.093 5.425 -6.690 1.00 0.00 C ATOM 1688 CD1 LEU A 816 0.888 4.161 -6.716 1.00 0.00 C ATOM 1689 CD2 LEU A 816 -1.311 5.183 -6.251 1.00 0.00 C ATOM 0 H LEU A 816 1.935 8.482 -5.240 1.00 0.00 H new ATOM 0 HA LEU A 816 -0.485 7.977 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 816 1.754 6.628 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 816 0.878 5.951 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 816 0.059 5.825 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 816 0.409 3.444 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 816 1.896 4.372 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 816 0.940 3.743 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 816 -1.783 4.465 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 816 -1.311 4.786 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 816 -1.866 6.121 -6.274 1.00 0.00 H new ATOM 1701 N GLU A 817 -0.442 7.432 -3.266 1.00 0.00 N ATOM 1702 CA GLU A 817 -1.257 7.307 -2.077 1.00 0.00 C ATOM 1703 C GLU A 817 -2.305 8.427 -2.018 1.00 0.00 C ATOM 1704 O GLU A 817 -3.351 8.288 -1.403 1.00 0.00 O ATOM 1705 CB GLU A 817 -0.366 7.357 -0.843 1.00 0.00 C ATOM 1706 CG GLU A 817 -1.092 6.930 0.419 1.00 0.00 C ATOM 1707 CD GLU A 817 -0.190 6.861 1.634 1.00 0.00 C ATOM 1708 OE1 GLU A 817 0.562 5.872 1.761 1.00 0.00 O ATOM 1709 OE2 GLU A 817 -0.238 7.794 2.462 1.00 0.00 O ATOM 0 H GLU A 817 0.561 7.367 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 817 -1.781 6.352 -2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 817 0.498 6.711 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 817 0.013 8.371 -0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 817 -1.904 7.629 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 817 -1.546 5.953 0.256 1.00 0.00 H new ATOM 1716 N LYS A 818 -1.997 9.546 -2.649 1.00 0.00 N ATOM 1717 CA LYS A 818 -2.881 10.682 -2.708 1.00 0.00 C ATOM 1718 C LYS A 818 -3.940 10.485 -3.803 1.00 0.00 C ATOM 1719 O LYS A 818 -5.141 10.593 -3.541 1.00 0.00 O ATOM 1720 CB LYS A 818 -1.986 11.860 -2.927 1.00 0.00 C ATOM 1721 CG LYS A 818 -2.416 12.751 -4.023 1.00 0.00 C ATOM 1722 CD LYS A 818 -1.225 13.475 -4.618 1.00 0.00 C ATOM 1723 CE LYS A 818 -1.231 13.382 -6.129 1.00 0.00 C ATOM 1724 NZ LYS A 818 -2.440 14.017 -6.724 1.00 0.00 N ATOM 0 H LYS A 818 -1.114 9.687 -3.139 1.00 0.00 H new ATOM 0 HA LYS A 818 -3.463 10.826 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 818 -1.932 12.438 -2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 818 -0.978 11.502 -3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 818 -2.919 12.170 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 818 -3.139 13.475 -3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 818 -1.243 14.522 -4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 818 -0.302 13.046 -4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 818 -0.337 13.863 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 818 -1.188 12.335 -6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 -2.348 14.037 -7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 -3.284 13.469 -6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 -2.533 14.989 -6.366 1.00 0.00 H new ATOM 1738 N PHE A 819 -3.492 10.195 -5.024 1.00 0.00 N ATOM 1739 CA PHE A 819 -4.405 9.929 -6.133 1.00 0.00 C ATOM 1740 C PHE A 819 -5.293 8.771 -5.714 1.00 0.00 C ATOM 1741 O PHE A 819 -6.521 8.856 -5.737 1.00 0.00 O ATOM 1742 CB PHE A 819 -3.583 9.586 -7.382 1.00 0.00 C ATOM 1743 CG PHE A 819 -4.302 8.820 -8.471 1.00 0.00 C ATOM 1744 CD1 PHE A 819 -4.739 7.518 -8.263 1.00 0.00 C ATOM 1745 CD2 PHE A 819 -4.496 9.387 -9.720 1.00 0.00 C ATOM 1746 CE1 PHE A 819 -5.348 6.805 -9.255 1.00 0.00 C ATOM 1747 CE2 PHE A 819 -5.119 8.675 -10.728 1.00 0.00 C ATOM 1748 CZ PHE A 819 -5.544 7.380 -10.495 1.00 0.00 C ATOM 0 H PHE A 819 -2.504 10.139 -5.269 1.00 0.00 H new ATOM 0 HA PHE A 819 -5.024 10.794 -6.371 1.00 0.00 H new ATOM 0 HB2 PHE A 819 -3.207 10.516 -7.809 1.00 0.00 H new ATOM 0 HB3 PHE A 819 -2.715 9.004 -7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 819 -4.594 7.060 -7.296 1.00 0.00 H new ATOM 0 HD2 PHE A 819 -4.157 10.395 -9.908 1.00 0.00 H new ATOM 0 HE1 PHE A 819 -5.676 5.793 -9.070 1.00 0.00 H new ATOM 0 HE2 PHE A 819 -5.273 9.129 -11.696 1.00 0.00 H new ATOM 0 HZ PHE A 819 -6.028 6.820 -11.281 1.00 0.00 H new ATOM 1758 N PHE A 820 -4.627 7.678 -5.364 1.00 0.00 N ATOM 1759 CA PHE A 820 -5.275 6.489 -4.856 1.00 0.00 C ATOM 1760 C PHE A 820 -6.304 6.907 -3.840 1.00 0.00 C ATOM 1761 O PHE A 820 -7.446 6.490 -3.933 1.00 0.00 O ATOM 1762 CB PHE A 820 -4.205 5.558 -4.293 1.00 0.00 C ATOM 1763 CG PHE A 820 -4.480 4.910 -2.984 1.00 0.00 C ATOM 1764 CD1 PHE A 820 -4.097 5.462 -1.787 1.00 0.00 C ATOM 1765 CD2 PHE A 820 -5.046 3.695 -2.981 1.00 0.00 C ATOM 1766 CE1 PHE A 820 -4.312 4.779 -0.604 1.00 0.00 C ATOM 1767 CE2 PHE A 820 -5.249 3.002 -1.836 1.00 0.00 C ATOM 1768 CZ PHE A 820 -4.891 3.534 -0.637 1.00 0.00 C ATOM 0 H PHE A 820 -3.612 7.597 -5.428 1.00 0.00 H new ATOM 0 HA PHE A 820 -5.799 5.937 -5.636 1.00 0.00 H new ATOM 0 HB2 PHE A 820 -4.023 4.772 -5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 820 -3.280 6.127 -4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 820 -3.626 6.434 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 820 -5.349 3.256 -3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 820 -4.027 5.221 0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 820 -5.698 2.021 -1.875 1.00 0.00 H new ATOM 0 HZ PHE A 820 -5.060 2.985 0.277 1.00 0.00 H new ATOM 1778 N PHE A 821 -5.919 7.801 -2.923 1.00 0.00 N ATOM 1779 CA PHE A 821 -6.850 8.280 -1.911 1.00 0.00 C ATOM 1780 C PHE A 821 -8.121 8.828 -2.526 1.00 0.00 C ATOM 1781 O PHE A 821 -9.202 8.643 -1.979 1.00 0.00 O ATOM 1782 CB PHE A 821 -6.193 9.284 -0.975 1.00 0.00 C ATOM 1783 CG PHE A 821 -6.017 8.689 0.383 1.00 0.00 C ATOM 1784 CD1 PHE A 821 -5.268 7.554 0.492 1.00 0.00 C ATOM 1785 CD2 PHE A 821 -6.640 9.196 1.510 1.00 0.00 C ATOM 1786 CE1 PHE A 821 -5.114 6.903 1.689 1.00 0.00 C ATOM 1787 CE2 PHE A 821 -6.486 8.565 2.734 1.00 0.00 C ATOM 1788 CZ PHE A 821 -5.722 7.410 2.824 1.00 0.00 C ATOM 0 H PHE A 821 -4.982 8.199 -2.865 1.00 0.00 H new ATOM 0 HA PHE A 821 -7.138 7.419 -1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 821 -5.225 9.585 -1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 821 -6.805 10.184 -0.909 1.00 0.00 H new ATOM 0 HD1 PHE A 821 -4.783 7.158 -0.388 1.00 0.00 H new ATOM 0 HD2 PHE A 821 -7.248 10.086 1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 821 -4.523 6.001 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 821 -6.959 8.971 3.616 1.00 0.00 H new ATOM 0 HZ PHE A 821 -5.603 6.910 3.774 1.00 0.00 H new ATOM 1798 N SER A 822 -8.001 9.483 -3.668 1.00 0.00 N ATOM 1799 CA SER A 822 -9.172 10.020 -4.345 1.00 0.00 C ATOM 1800 C SER A 822 -9.988 8.898 -4.991 1.00 0.00 C ATOM 1801 O SER A 822 -11.192 9.031 -5.184 1.00 0.00 O ATOM 1802 CB SER A 822 -8.756 11.044 -5.402 1.00 0.00 C ATOM 1803 OG SER A 822 -9.885 11.578 -6.070 1.00 0.00 O ATOM 0 H SER A 822 -7.115 9.655 -4.143 1.00 0.00 H new ATOM 0 HA SER A 822 -9.796 10.516 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 822 -8.194 11.850 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 822 -8.091 10.574 -6.126 1.00 0.00 H new ATOM 0 HG SER A 822 -9.591 12.231 -6.739 1.00 0.00 H new ATOM 1809 N LYS A 823 -9.316 7.790 -5.307 1.00 0.00 N ATOM 1810 CA LYS A 823 -9.956 6.627 -5.941 1.00 0.00 C ATOM 1811 C LYS A 823 -10.683 5.753 -4.935 1.00 0.00 C ATOM 1812 O LYS A 823 -11.751 5.212 -5.218 1.00 0.00 O ATOM 1813 CB LYS A 823 -8.891 5.796 -6.657 1.00 0.00 C ATOM 1814 CG LYS A 823 -8.098 6.564 -7.685 1.00 0.00 C ATOM 1815 CD LYS A 823 -9.003 7.297 -8.648 1.00 0.00 C ATOM 1816 CE LYS A 823 -8.359 8.560 -9.170 1.00 0.00 C ATOM 1817 NZ LYS A 823 -9.363 9.515 -9.714 1.00 0.00 N ATOM 0 H LYS A 823 -8.318 7.669 -5.134 1.00 0.00 H new ATOM 0 HA LYS A 823 -10.696 7.000 -6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 823 -8.205 5.388 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 823 -9.374 4.949 -7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 823 -7.445 7.278 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 823 -7.456 5.878 -8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 823 -9.251 6.643 -9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 823 -9.940 7.546 -8.149 1.00 0.00 H new ATOM 0 HE2 LYS A 823 -7.800 9.040 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 823 -7.641 8.305 -9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 -8.879 10.367 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 -9.880 9.067 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 -10.033 9.779 -8.964 1.00 0.00 H new ATOM 1831 N ILE A 824 -10.104 5.621 -3.766 1.00 0.00 N ATOM 1832 CA ILE A 824 -10.696 4.823 -2.716 1.00 0.00 C ATOM 1833 C ILE A 824 -11.867 5.596 -2.166 1.00 0.00 C ATOM 1834 O ILE A 824 -12.971 5.085 -2.025 1.00 0.00 O ATOM 1835 CB ILE A 824 -9.696 4.563 -1.605 1.00 0.00 C ATOM 1836 CG1 ILE A 824 -8.648 5.613 -1.624 1.00 0.00 C ATOM 1837 CG2 ILE A 824 -9.066 3.204 -1.767 1.00 0.00 C ATOM 1838 CD1 ILE A 824 -7.513 5.338 -0.712 1.00 0.00 C ATOM 0 H ILE A 824 -9.217 6.059 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 824 -11.011 3.859 -3.116 1.00 0.00 H new ATOM 0 HB ILE A 824 -10.218 4.589 -0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 824 -8.269 5.717 -2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 824 -9.098 6.568 -1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 824 -8.352 3.036 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 824 -9.840 2.438 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 824 -8.550 3.154 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 824 -6.787 6.148 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 824 -7.879 5.264 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 824 -7.037 4.400 -0.996 1.00 0.00 H new ATOM 1850 N LYS A 825 -11.601 6.868 -1.910 1.00 0.00 N ATOM 1851 CA LYS A 825 -12.602 7.780 -1.394 1.00 0.00 C ATOM 1852 C LYS A 825 -13.825 7.717 -2.275 1.00 0.00 C ATOM 1853 O LYS A 825 -14.956 7.551 -1.818 1.00 0.00 O ATOM 1854 CB LYS A 825 -12.085 9.206 -1.412 1.00 0.00 C ATOM 1855 CG LYS A 825 -12.004 9.823 -0.035 1.00 0.00 C ATOM 1856 CD LYS A 825 -11.432 11.218 -0.081 1.00 0.00 C ATOM 1857 CE LYS A 825 -9.935 11.166 -0.280 1.00 0.00 C ATOM 1858 NZ LYS A 825 -9.425 12.348 -1.029 1.00 0.00 N ATOM 0 H LYS A 825 -10.685 7.293 -2.055 1.00 0.00 H new ATOM 0 HA LYS A 825 -12.840 7.491 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -11.096 9.222 -1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -12.736 9.815 -2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -12.999 9.852 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.385 9.197 0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.894 11.781 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.664 11.744 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -9.443 11.114 0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -9.673 10.256 -0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -8.394 12.269 -1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -9.874 12.385 -1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -9.650 13.216 -0.503 1.00 0.00 H new ATOM 1872 N GLU A 826 -13.550 7.861 -3.561 1.00 0.00 N ATOM 1873 CA GLU A 826 -14.570 7.834 -4.588 1.00 0.00 C ATOM 1874 C GLU A 826 -15.342 6.533 -4.522 1.00 0.00 C ATOM 1875 O GLU A 826 -16.554 6.501 -4.733 1.00 0.00 O ATOM 1876 CB GLU A 826 -13.911 7.998 -5.966 1.00 0.00 C ATOM 1877 CG GLU A 826 -13.770 6.704 -6.753 1.00 0.00 C ATOM 1878 CD GLU A 826 -15.045 6.305 -7.473 1.00 0.00 C ATOM 1879 OE1 GLU A 826 -15.470 7.049 -8.382 1.00 0.00 O ATOM 1880 OE2 GLU A 826 -15.616 5.248 -7.131 1.00 0.00 O ATOM 0 H GLU A 826 -12.606 8.001 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 826 -15.268 8.655 -4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 826 -14.497 8.704 -6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 826 -12.922 8.437 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 826 -12.967 6.814 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 826 -13.477 5.903 -6.075 1.00 0.00 H new ATOM 1887 N ALA A 827 -14.625 5.461 -4.228 1.00 0.00 N ATOM 1888 CA ALA A 827 -15.236 4.149 -4.162 1.00 0.00 C ATOM 1889 C ALA A 827 -15.713 3.775 -2.757 1.00 0.00 C ATOM 1890 O ALA A 827 -15.927 2.599 -2.470 1.00 0.00 O ATOM 1891 CB ALA A 827 -14.264 3.118 -4.685 1.00 0.00 C ATOM 0 H ALA A 827 -13.624 5.475 -4.032 1.00 0.00 H new ATOM 0 HA ALA A 827 -16.129 4.174 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 827 -14.721 2.130 -4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 827 -14.009 3.350 -5.719 1.00 0.00 H new ATOM 0 HB3 ALA A 827 -13.359 3.130 -4.077 1.00 0.00 H new ATOM 1897 N GLY A 828 -15.899 4.767 -1.891 1.00 0.00 N ATOM 1898 CA GLY A 828 -16.353 4.483 -0.536 1.00 0.00 C ATOM 1899 C GLY A 828 -15.400 3.569 0.207 1.00 0.00 C ATOM 1900 O GLY A 828 -15.788 2.879 1.148 1.00 0.00 O ATOM 0 H GLY A 828 -15.746 5.754 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 828 -16.459 5.418 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 828 -17.340 4.022 -0.574 1.00 0.00 H new ATOM 1904 N LEU A 829 -14.147 3.592 -0.209 1.00 0.00 N ATOM 1905 CA LEU A 829 -13.116 2.758 0.369 1.00 0.00 C ATOM 1906 C LEU A 829 -12.686 3.300 1.718 1.00 0.00 C ATOM 1907 O LEU A 829 -13.442 3.207 2.683 1.00 0.00 O ATOM 1908 CB LEU A 829 -11.961 2.691 -0.622 1.00 0.00 C ATOM 1909 CG LEU A 829 -12.350 2.067 -1.968 1.00 0.00 C ATOM 1910 CD1 LEU A 829 -11.207 1.350 -2.612 1.00 0.00 C ATOM 1911 CD2 LEU A 829 -13.506 1.097 -1.824 1.00 0.00 C ATOM 0 H LEU A 829 -13.817 4.195 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 829 -13.489 1.750 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -11.580 3.698 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -11.148 2.113 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 829 -12.649 2.901 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -11.532 0.926 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -10.391 2.051 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -10.863 0.550 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -13.752 0.676 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -13.224 0.294 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -14.374 1.622 -1.426 1.00 0.00 H new ATOM 1923 N ILE A 830 -11.494 3.889 1.757 1.00 0.00 N ATOM 1924 CA ILE A 830 -10.929 4.480 2.954 1.00 0.00 C ATOM 1925 C ILE A 830 -11.795 4.269 4.214 1.00 0.00 C ATOM 1926 O ILE A 830 -12.018 3.125 4.616 1.00 0.00 O ATOM 1927 CB ILE A 830 -10.668 5.953 2.657 1.00 0.00 C ATOM 1928 CG1 ILE A 830 -10.675 6.133 1.152 1.00 0.00 C ATOM 1929 CG2 ILE A 830 -9.322 6.357 3.195 1.00 0.00 C ATOM 1930 CD1 ILE A 830 -9.921 7.334 0.680 1.00 0.00 C ATOM 0 H ILE A 830 -10.888 3.967 0.941 1.00 0.00 H new ATOM 0 HA ILE A 830 -9.995 3.975 3.199 1.00 0.00 H new ATOM 0 HB ILE A 830 -11.434 6.570 3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 830 -10.249 5.244 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 830 -11.707 6.207 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 830 -9.145 7.410 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 830 -9.299 6.200 4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 830 -8.546 5.754 2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 830 -9.973 7.392 -0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 830 -10.360 8.233 1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 830 -8.879 7.254 0.989 1.00 0.00 H new ATOM 1942 N ASP A 831 -12.242 5.350 4.862 1.00 0.00 N ATOM 1943 CA ASP A 831 -13.093 5.247 6.043 1.00 0.00 C ATOM 1944 C ASP A 831 -12.361 4.608 7.224 1.00 0.00 C ATOM 1945 O ASP A 831 -12.904 4.530 8.327 1.00 0.00 O ATOM 1946 CB ASP A 831 -14.362 4.453 5.717 1.00 0.00 C ATOM 1947 CG ASP A 831 -15.355 4.445 6.863 1.00 0.00 C ATOM 1948 OD1 ASP A 831 -16.114 5.428 6.999 1.00 0.00 O ATOM 1949 OD2 ASP A 831 -15.375 3.454 7.624 1.00 0.00 O ATOM 0 H ASP A 831 -12.025 6.307 4.584 1.00 0.00 H new ATOM 0 HA ASP A 831 -13.366 6.261 6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 831 -14.836 4.880 4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 831 -14.091 3.427 5.469 1.00 0.00 H new ATOM 1954 N LYS A 832 -11.132 4.151 6.992 1.00 0.00 N ATOM 1955 CA LYS A 832 -10.337 3.526 8.046 1.00 0.00 C ATOM 1956 C LYS A 832 -10.211 4.445 9.259 1.00 0.00 C ATOM 1957 O LYS A 832 -9.333 5.334 9.242 1.00 0.00 O ATOM 1958 CB LYS A 832 -8.948 3.158 7.518 1.00 0.00 C ATOM 1959 CG LYS A 832 -8.308 4.244 6.670 1.00 0.00 C ATOM 1960 CD LYS A 832 -6.819 4.003 6.486 1.00 0.00 C ATOM 1961 CE LYS A 832 -6.187 5.070 5.609 1.00 0.00 C ATOM 1962 NZ LYS A 832 -4.701 5.008 5.645 1.00 0.00 N ATOM 1963 OXT LYS A 832 -10.992 4.267 10.217 1.00 0.00 O ATOM 0 H LYS A 832 -10.666 4.202 6.086 1.00 0.00 H new ATOM 0 HA LYS A 832 -10.850 2.617 8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 832 -8.295 2.937 8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 832 -9.024 2.246 6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 832 -8.795 4.280 5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 832 -8.465 5.214 7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 832 -6.328 3.992 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 832 -6.661 3.022 6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 832 -6.531 4.947 4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 832 -6.518 6.055 5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 832 -4.326 5.897 6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 832 -4.401 4.214 6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 832 -4.336 4.870 4.681 1.00 0.00 H new TER 1977 LYS A 832 ATOM 1978 N SER B 31 7.144 4.981 -17.229 1.00 0.00 N ATOM 1979 CA SER B 31 7.579 3.818 -18.044 1.00 0.00 C ATOM 1980 C SER B 31 9.084 3.600 -17.927 1.00 0.00 C ATOM 1981 O SER B 31 9.875 4.482 -18.264 1.00 0.00 O ATOM 1982 CB SER B 31 7.198 4.031 -19.510 1.00 0.00 C ATOM 1983 OG SER B 31 7.797 5.206 -20.028 1.00 0.00 O ATOM 0 HA SER B 31 7.072 2.930 -17.665 1.00 0.00 H new ATOM 0 HB2 SER B 31 7.512 3.169 -20.099 1.00 0.00 H new ATOM 0 HB3 SER B 31 6.114 4.102 -19.601 1.00 0.00 H new ATOM 0 HG SER B 31 8.698 5.305 -19.656 1.00 0.00 H new ATOM 1991 N THR B 32 9.468 2.417 -17.450 1.00 0.00 N ATOM 1992 CA THR B 32 10.876 2.062 -17.283 1.00 0.00 C ATOM 1993 C THR B 32 11.550 2.938 -16.229 1.00 0.00 C ATOM 1994 O THR B 32 11.359 4.153 -16.198 1.00 0.00 O ATOM 1995 CB THR B 32 11.654 2.179 -18.610 1.00 0.00 C ATOM 1996 OG1 THR B 32 11.013 1.396 -19.624 1.00 0.00 O ATOM 1997 CG2 THR B 32 13.092 1.713 -18.438 1.00 0.00 C ATOM 0 H THR B 32 8.817 1.683 -17.170 1.00 0.00 H new ATOM 0 HA THR B 32 10.897 1.024 -16.952 1.00 0.00 H new ATOM 0 HB THR B 32 11.661 3.227 -18.909 1.00 0.00 H new ATOM 0 HG1 THR B 32 11.512 1.477 -20.464 1.00 0.00 H new ATOM 0 HG21 THR B 32 13.620 1.805 -19.387 1.00 0.00 H new ATOM 0 HG22 THR B 32 13.586 2.328 -17.686 1.00 0.00 H new ATOM 0 HG23 THR B 32 13.101 0.671 -18.117 1.00 0.00 H new ATOM 2005 N GLY B 33 12.339 2.307 -15.366 1.00 0.00 N ATOM 2006 CA GLY B 33 13.033 3.039 -14.322 1.00 0.00 C ATOM 2007 C GLY B 33 14.481 2.613 -14.183 1.00 0.00 C ATOM 2008 O GLY B 33 15.377 3.453 -14.105 1.00 0.00 O ATOM 0 H GLY B 33 12.511 1.302 -15.371 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.990 4.106 -14.540 1.00 0.00 H new ATOM 0 HA3 GLY B 33 12.520 2.887 -13.373 1.00 0.00 H new ATOM 2012 N GLY B 34 14.708 1.304 -14.152 1.00 0.00 N ATOM 2013 CA GLY B 34 16.058 0.786 -14.024 1.00 0.00 C ATOM 2014 C GLY B 34 16.310 0.145 -12.673 1.00 0.00 C ATOM 2015 O GLY B 34 15.856 -0.968 -12.412 1.00 0.00 O ATOM 0 H GLY B 34 13.980 0.592 -14.213 1.00 0.00 H new ATOM 0 HA2 GLY B 34 16.238 0.052 -14.810 1.00 0.00 H new ATOM 0 HA3 GLY B 34 16.770 1.597 -14.176 1.00 0.00 H new ATOM 2019 N VAL B 35 17.038 0.853 -11.814 1.00 0.00 N ATOM 2020 CA VAL B 35 17.356 0.349 -10.482 1.00 0.00 C ATOM 2021 C VAL B 35 16.217 0.616 -9.508 1.00 0.00 C ATOM 2022 O VAL B 35 15.138 1.061 -9.902 1.00 0.00 O ATOM 2023 CB VAL B 35 18.638 1.001 -9.928 1.00 0.00 C ATOM 2024 CG1 VAL B 35 19.775 0.888 -10.934 1.00 0.00 C ATOM 2025 CG2 VAL B 35 18.381 2.459 -9.556 1.00 0.00 C ATOM 0 H VAL B 35 17.419 1.777 -12.017 1.00 0.00 H new ATOM 0 HA VAL B 35 17.509 -0.726 -10.580 1.00 0.00 H new ATOM 0 HB VAL B 35 18.933 0.468 -9.024 1.00 0.00 H new ATOM 0 HG11 VAL B 35 20.671 1.354 -10.524 1.00 0.00 H new ATOM 0 HG12 VAL B 35 19.975 -0.163 -11.140 1.00 0.00 H new ATOM 0 HG13 VAL B 35 19.494 1.392 -11.859 1.00 0.00 H new ATOM 0 HG21 VAL B 35 19.298 2.902 -9.167 1.00 0.00 H new ATOM 0 HG22 VAL B 35 18.059 3.009 -10.440 1.00 0.00 H new ATOM 0 HG23 VAL B 35 17.602 2.508 -8.795 1.00 0.00 H new HETATM 2035 OH ALY B 36 10.244 1.032 -5.946 1.00 0.00 O HETATM 2036 CH ALY B 36 9.776 -0.003 -5.475 1.00 0.00 C HETATM 2037 CH3 ALY B 36 8.497 0.082 -4.628 1.00 0.00 C HETATM 2038 NZ ALY B 36 10.436 -1.161 -5.537 1.00 0.00 N HETATM 2039 CE ALY B 36 11.701 -1.400 -4.860 1.00 0.00 C HETATM 2040 CD ALY B 36 12.844 -1.594 -5.819 1.00 0.00 C HETATM 2041 CG ALY B 36 13.923 -0.609 -5.554 1.00 0.00 C HETATM 2042 CB ALY B 36 15.026 -0.764 -6.569 1.00 0.00 C HETATM 2043 CA ALY B 36 15.470 0.567 -7.196 1.00 0.00 C HETATM 2044 N ALY B 36 16.466 0.342 -8.231 1.00 0.00 N HETATM 2045 C ALY B 36 16.006 1.515 -6.130 1.00 0.00 C HETATM 2046 O ALY B 36 16.011 1.183 -4.944 1.00 0.00 O HETATM 0 HH33 ALY B 36 8.675 0.722 -3.764 1.00 0.00 H new HETATM 0 HH32 ALY B 36 7.690 0.500 -5.229 1.00 0.00 H new HETATM 0 HH31 ALY B 36 8.218 -0.916 -4.290 1.00 0.00 H new HETATM 0 HZ ALY B 36 10.032 -1.918 -6.088 1.00 0.00 H new HETATM 0 HG3 ALY B 36 14.320 -0.754 -4.549 1.00 0.00 H new HETATM 0 HG2 ALY B 36 13.520 0.403 -5.595 1.00 0.00 H new HETATM 0 HE3 ALY B 36 11.609 -2.283 -4.227 1.00 0.00 H new HETATM 0 HE2 ALY B 36 11.922 -0.559 -4.203 1.00 0.00 H new HETATM 0 HD3 ALY B 36 12.488 -1.485 -6.844 1.00 0.00 H new HETATM 0 HD2 ALY B 36 13.237 -2.606 -5.724 1.00 0.00 H new HETATM 0 HCA ALY B 36 14.598 1.032 -7.657 1.00 0.00 H new HETATM 0 HB3 ALY B 36 14.691 -1.435 -7.359 1.00 0.00 H new HETATM 0 HB2 ALY B 36 15.885 -1.237 -6.092 1.00 0.00 H new ATOM 2061 N LYS B 37 16.450 2.706 -6.575 1.00 0.00 N ATOM 2062 CA LYS B 37 16.998 3.734 -5.680 1.00 0.00 C ATOM 2063 C LYS B 37 17.440 3.112 -4.370 1.00 0.00 C ATOM 2064 O LYS B 37 16.912 3.436 -3.305 1.00 0.00 O ATOM 2065 CB LYS B 37 15.969 4.837 -5.421 1.00 0.00 C ATOM 2066 CG LYS B 37 15.789 5.791 -6.592 1.00 0.00 C ATOM 2067 CD LYS B 37 16.960 6.754 -6.714 1.00 0.00 C ATOM 2068 CE LYS B 37 16.786 7.697 -7.893 1.00 0.00 C ATOM 2069 NZ LYS B 37 16.676 6.963 -9.184 1.00 0.00 N ATOM 0 H LYS B 37 16.438 2.978 -7.558 1.00 0.00 H new ATOM 0 HA LYS B 37 17.864 4.181 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS B 37 15.009 4.378 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS B 37 16.273 5.407 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS B 37 15.689 5.220 -7.515 1.00 0.00 H new ATOM 0 HG3 LYS B 37 14.865 6.355 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS B 37 17.054 7.333 -5.795 1.00 0.00 H new ATOM 0 HD3 LYS B 37 17.885 6.190 -6.831 1.00 0.00 H new ATOM 0 HE2 LYS B 37 15.892 8.303 -7.743 1.00 0.00 H new ATOM 0 HE3 LYS B 37 17.632 8.382 -7.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 16.797 7.629 -9.973 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 17.414 6.232 -9.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 15.740 6.515 -9.250 1.00 0.00 H new ATOM 2083 N PRO B 38 18.420 2.197 -4.443 1.00 0.00 N ATOM 2084 CA PRO B 38 18.920 1.483 -3.273 1.00 0.00 C ATOM 2085 C PRO B 38 19.249 2.409 -2.106 1.00 0.00 C ATOM 2086 O PRO B 38 20.207 3.180 -2.175 1.00 0.00 O ATOM 2087 CB PRO B 38 20.205 0.842 -3.782 1.00 0.00 C ATOM 2088 CG PRO B 38 19.974 0.640 -5.236 1.00 0.00 C ATOM 2089 CD PRO B 38 19.136 1.804 -5.676 1.00 0.00 C ATOM 0 HA PRO B 38 18.178 0.783 -2.889 1.00 0.00 H new ATOM 0 HB2 PRO B 38 21.067 1.485 -3.603 1.00 0.00 H new ATOM 0 HB3 PRO B 38 20.403 -0.104 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO B 38 20.917 0.607 -5.782 1.00 0.00 H new ATOM 0 HG3 PRO B 38 19.463 -0.304 -5.424 1.00 0.00 H new ATOM 0 HD2 PRO B 38 19.750 2.618 -6.061 1.00 0.00 H new ATOM 0 HD3 PRO B 38 18.444 1.524 -6.470 1.00 0.00 H new ATOM 2097 N HIS B 39 18.464 2.339 -1.041 1.00 0.00 N ATOM 2098 CA HIS B 39 18.719 3.167 0.131 1.00 0.00 C ATOM 2099 C HIS B 39 19.479 2.360 1.179 1.00 0.00 C ATOM 2100 O HIS B 39 19.634 1.145 1.043 1.00 0.00 O ATOM 2101 CB HIS B 39 17.413 3.708 0.719 1.00 0.00 C ATOM 2102 CG HIS B 39 17.634 4.779 1.744 1.00 0.00 C ATOM 2103 ND1 HIS B 39 17.861 4.511 3.080 1.00 0.00 N ATOM 2104 CD2 HIS B 39 17.680 6.126 1.622 1.00 0.00 C ATOM 2105 CE1 HIS B 39 18.034 5.646 3.732 1.00 0.00 C ATOM 2106 NE2 HIS B 39 17.930 6.640 2.870 1.00 0.00 N ATOM 0 H HIS B 39 17.653 1.725 -0.963 1.00 0.00 H new ATOM 0 HA HIS B 39 19.326 4.019 -0.175 1.00 0.00 H new ATOM 0 HB2 HIS B 39 16.795 4.105 -0.086 1.00 0.00 H new ATOM 0 HB3 HIS B 39 16.857 2.887 1.173 1.00 0.00 H new ATOM 0 HD2 HIS B 39 17.545 6.691 0.712 1.00 0.00 H new ATOM 0 HE1 HIS B 39 18.228 5.744 4.790 1.00 0.00 H new ATOM 0 HE2 HIS B 39 18.021 7.631 3.095 1.00 0.00 H new ATOM 2115 N ARG B 40 19.964 3.034 2.216 1.00 0.00 N ATOM 2116 CA ARG B 40 20.709 2.362 3.272 1.00 0.00 C ATOM 2117 C ARG B 40 19.838 2.127 4.506 1.00 0.00 C ATOM 2118 O ARG B 40 20.114 2.654 5.584 1.00 0.00 O ATOM 2119 CB ARG B 40 21.954 3.175 3.642 1.00 0.00 C ATOM 2120 CG ARG B 40 22.867 2.476 4.637 1.00 0.00 C ATOM 2121 CD ARG B 40 24.333 2.750 4.339 1.00 0.00 C ATOM 2122 NE ARG B 40 24.612 4.177 4.204 1.00 0.00 N ATOM 2123 CZ ARG B 40 25.715 4.660 3.639 1.00 0.00 C ATOM 2124 NH1 ARG B 40 26.635 3.832 3.161 1.00 0.00 N ATOM 2125 NH2 ARG B 40 25.899 5.970 3.548 1.00 0.00 N ATOM 0 H ARG B 40 19.855 4.040 2.347 1.00 0.00 H new ATOM 0 HA ARG B 40 21.021 1.388 2.896 1.00 0.00 H new ATOM 0 HB2 ARG B 40 22.518 3.392 2.735 1.00 0.00 H new ATOM 0 HB3 ARG B 40 21.641 4.132 4.059 1.00 0.00 H new ATOM 0 HG2 ARG B 40 22.631 2.812 5.647 1.00 0.00 H new ATOM 0 HG3 ARG B 40 22.684 1.402 4.608 1.00 0.00 H new ATOM 0 HD2 ARG B 40 24.948 2.335 5.138 1.00 0.00 H new ATOM 0 HD3 ARG B 40 24.617 2.238 3.420 1.00 0.00 H new ATOM 0 HE ARG B 40 23.924 4.839 4.562 1.00 0.00 H new ATOM 0 HH11 ARG B 40 26.497 2.824 3.227 1.00 0.00 H new ATOM 0 HH12 ARG B 40 27.480 4.204 2.728 1.00 0.00 H new ATOM 0 HH21 ARG B 40 25.194 6.611 3.912 1.00 0.00 H new ATOM 0 HH22 ARG B 40 26.746 6.337 3.114 1.00 0.00 H new ATOM 2139 N TYR B 41 18.776 1.341 4.338 1.00 0.00 N ATOM 2140 CA TYR B 41 17.884 1.023 5.448 1.00 0.00 C ATOM 2141 C TYR B 41 18.317 -0.291 6.089 1.00 0.00 C ATOM 2142 O TYR B 41 19.137 -0.298 7.008 1.00 0.00 O ATOM 2143 CB TYR B 41 16.425 0.932 4.974 1.00 0.00 C ATOM 2144 CG TYR B 41 15.409 1.051 6.093 1.00 0.00 C ATOM 2145 CD1 TYR B 41 15.411 0.164 7.165 1.00 0.00 C ATOM 2146 CD2 TYR B 41 14.447 2.054 6.078 1.00 0.00 C ATOM 2147 CE1 TYR B 41 14.485 0.273 8.185 1.00 0.00 C ATOM 2148 CE2 TYR B 41 13.520 2.168 7.096 1.00 0.00 C ATOM 2149 CZ TYR B 41 13.543 1.277 8.147 1.00 0.00 C ATOM 2150 OH TYR B 41 12.620 1.391 9.161 1.00 0.00 O ATOM 0 H TYR B 41 18.514 0.915 3.449 1.00 0.00 H new ATOM 0 HA TYR B 41 17.946 1.823 6.186 1.00 0.00 H new ATOM 0 HB2 TYR B 41 16.241 1.719 4.243 1.00 0.00 H new ATOM 0 HB3 TYR B 41 16.278 -0.019 4.462 1.00 0.00 H new ATOM 0 HD1 TYR B 41 16.149 -0.624 7.201 1.00 0.00 H new ATOM 0 HD2 TYR B 41 14.424 2.756 5.257 1.00 0.00 H new ATOM 0 HE1 TYR B 41 14.500 -0.426 9.008 1.00 0.00 H new ATOM 0 HE2 TYR B 41 12.779 2.953 7.068 1.00 0.00 H new ATOM 0 HH TYR B 41 12.029 2.152 8.981 1.00 0.00 H new ATOM 2160 N LYS B 42 17.766 -1.395 5.582 1.00 0.00 N ATOM 2161 CA LYS B 42 18.086 -2.738 6.068 1.00 0.00 C ATOM 2162 C LYS B 42 18.498 -2.745 7.541 1.00 0.00 C ATOM 2163 O LYS B 42 19.631 -3.092 7.876 1.00 0.00 O ATOM 2164 CB LYS B 42 19.195 -3.349 5.207 1.00 0.00 C ATOM 2165 CG LYS B 42 20.409 -2.450 5.037 1.00 0.00 C ATOM 2166 CD LYS B 42 21.490 -3.124 4.207 1.00 0.00 C ATOM 2167 CE LYS B 42 22.673 -2.199 3.974 1.00 0.00 C ATOM 2168 NZ LYS B 42 22.281 -0.970 3.230 1.00 0.00 N ATOM 0 H LYS B 42 17.085 -1.383 4.823 1.00 0.00 H new ATOM 0 HA LYS B 42 17.180 -3.339 5.988 1.00 0.00 H new ATOM 0 HB2 LYS B 42 19.512 -4.291 5.655 1.00 0.00 H new ATOM 0 HB3 LYS B 42 18.789 -3.585 4.223 1.00 0.00 H new ATOM 0 HG2 LYS B 42 20.109 -1.518 4.558 1.00 0.00 H new ATOM 0 HG3 LYS B 42 20.810 -2.190 6.016 1.00 0.00 H new ATOM 0 HD2 LYS B 42 21.828 -4.028 4.714 1.00 0.00 H new ATOM 0 HD3 LYS B 42 21.074 -3.433 3.248 1.00 0.00 H new ATOM 0 HE2 LYS B 42 23.109 -1.919 4.933 1.00 0.00 H new ATOM 0 HE3 LYS B 42 23.444 -2.730 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 23.135 -0.477 2.900 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 21.695 -1.232 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 21.739 -0.342 3.858 1.00 0.00 H new ATOM 2182 N CYS B 43 17.574 -2.363 8.418 1.00 0.00 N ATOM 2183 CA CYS B 43 17.852 -2.336 9.850 1.00 0.00 C ATOM 2184 C CYS B 43 17.913 -3.751 10.418 1.00 0.00 C ATOM 2185 O CYS B 43 19.028 -4.309 10.495 1.00 0.00 O ATOM 2186 CB CYS B 43 16.788 -1.522 10.590 1.00 0.00 C ATOM 2187 SG CYS B 43 16.986 0.268 10.430 1.00 0.00 S ATOM 2188 OXT CYS B 43 16.846 -4.290 10.779 1.00 0.00 O ATOM 0 H CYS B 43 16.631 -2.069 8.164 1.00 0.00 H new ATOM 0 HA CYS B 43 18.822 -1.861 9.994 1.00 0.00 H new ATOM 0 HB2 CYS B 43 15.804 -1.803 10.214 1.00 0.00 H new ATOM 0 HB3 CYS B 43 16.813 -1.787 11.647 1.00 0.00 H new ATOM 0 HG CYS B 43 16.084 0.733 9.617 1.00 0.00 H new TER 2194 CYS B 43