USER MOD reduce.3.24.130724 H: found=0, std=0, add=1093, rem=0, adj=47 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 803 ASN : amide:sc= -0.33 K(o=-2,f=-3.3) USER MOD Set 1.2: A 807 SER OG : rot -170:sc= -1.7! USER MOD Set 2.1: A 789 MET CE :methyl -140:sc= -11.2! (180deg=-13.3!) USER MOD Set 2.2: A 793 GLN :FLIP amide:sc= -1.95 F(o=-19!,f=-13) USER MOD Set 3.1: A 784 SER OG : rot 44:sc= 0.677 USER MOD Set 3.2: A 786 LYS NZ :NH3+ 160:sc= -1.82! (180deg=-2.95!) USER MOD Set 4.1: A 740 LYS NZ :NH3+ -162:sc= -0.0301 (180deg=-0.727) USER MOD Set 4.2: A 774 SER OG : rot -156:sc= -0.349 USER MOD Set 5.1: A 773 MET CE :methyl -112:sc= -11! (180deg=-12.5!) USER MOD Set 5.2: A 782 TYR OH : rot -23:sc= -6! USER MOD Set 6.1: A 744 SER OG : rot -44:sc= 0.487 USER MOD Set 6.2: A 812 CYS SG : rot 89:sc= -0.245! USER MOD Set 7.1: A 730 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 733 LYS NZ :NH3+ 164:sc= -0.362 (180deg=-0.778) USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD Single : A 717 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 718 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 719 SER OG : rot 180:sc= 0 USER MOD Single : A 720 LYS NZ :NH3+ 136:sc= -0.118 (180deg=-0.511) USER MOD Single : A 727 GLN : amide:sc= -0.0174 K(o=-0.017,f=-2.2!) USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 731 THR OG1 : rot 66:sc= 1.17 USER MOD Single : A 734 SER OG : rot 68:sc= 0.128 USER MOD Single : A 737 GLN :FLIP amide:sc= -0.0142 F(o=-3.3!,f=-0.014) USER MOD Single : A 738 GLN :FLIP amide:sc= -3.46! C(o=-8.7!,f=-3.5!) USER MOD Single : A 741 SER OG : rot -24:sc= 0.694 USER MOD Single : A 742 HIS : no HD1:sc= -9.44! C(o=-9.4!,f=-18!) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 749 MET CE :methyl 154:sc= -3.32 (180deg=-4.85!) USER MOD Single : A 753 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 755 THR OG1 : rot 180:sc= 0 USER MOD Single : A 760 TYR OH : rot 180:sc= -0.324 USER MOD Single : A 761 TYR OH : rot 180:sc= 0 USER MOD Single : A 768 MET CE :methyl -138:sc= -3.95 (180deg=-10.1!) USER MOD Single : A 771 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0488) USER MOD Single : A 772 THR OG1 : rot 180:sc= 0 USER MOD Single : A 778 LYS NZ :NH3+ 168:sc=-0.00277 (180deg=-0.104) USER MOD Single : A 779 ASN :FLIP amide:sc= -5.52! C(o=-8.4!,f=-5.5!) USER MOD Single : A 781 TYR OH : rot 180:sc= -1.12! USER MOD Single : A 785 LYS NZ :NH3+ -118:sc= -0.0375 (180deg=-0.302) USER MOD Single : A 797 THR OG1 : rot -63:sc= 1.21 USER MOD Single : A 798 ASN : amide:sc= -7.26! C(o=-7.3!,f=-9.3!) USER MOD Single : A 799 CYS SG : rot 144:sc= -11.9! USER MOD Single : A 800 LYS NZ :NH3+ -176:sc=-0.00315 (180deg=-0.0233) USER MOD Single : A 802 TYR OH : rot 68:sc= 0.257 USER MOD Single : A 809 TYR OH : rot -59:sc= -3.1! USER MOD Single : A 810 TYR OH : rot 130:sc= 0.108 USER MOD Single : A 811 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 814 ASN : amide:sc= -0.0207 K(o=-0.021,f=-1.1) USER MOD Single : A 818 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0345) 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 : A 832 LYS NZ :NH3+ -161:sc= -0.128 (180deg=-0.485) USER MOD Single : B 31 SER OG : rot -36:sc= 0.0499 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ -159:sc= -1.97! (180deg=-3.1!) USER MOD Single : B 39 HIS : no HD1:sc= -0.763 X(o=-0.76,f=-0.33) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 715 -24.500 2.125 10.802 1.00 0.00 N ATOM 2 CA GLY A 715 -23.496 1.725 11.824 1.00 0.00 C ATOM 3 C GLY A 715 -22.381 2.742 11.972 1.00 0.00 C ATOM 4 O GLY A 715 -22.360 3.514 12.932 1.00 0.00 O ATOM 0 HA2 GLY A 715 -23.993 1.593 12.785 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -23.069 0.760 11.551 1.00 0.00 H new ATOM 10 N SER A 716 -21.453 2.744 11.020 1.00 0.00 N ATOM 11 CA SER A 716 -20.330 3.672 11.049 1.00 0.00 C ATOM 12 C SER A 716 -20.261 4.488 9.761 1.00 0.00 C ATOM 13 O SER A 716 -19.810 3.992 8.727 1.00 0.00 O ATOM 14 CB SER A 716 -19.018 2.911 11.255 1.00 0.00 C ATOM 15 OG SER A 716 -19.023 2.209 12.486 1.00 0.00 O ATOM 0 H SER A 716 -21.457 2.113 10.219 1.00 0.00 H new ATOM 0 HA SER A 716 -20.481 4.358 11.883 1.00 0.00 H new ATOM 0 HB2 SER A 716 -18.868 2.210 10.434 1.00 0.00 H new ATOM 0 HB3 SER A 716 -18.182 3.610 11.235 1.00 0.00 H new ATOM 0 HG SER A 716 -18.175 1.730 12.593 1.00 0.00 H new ATOM 21 N HIS A 717 -20.712 5.739 9.835 1.00 0.00 N ATOM 22 CA HIS A 717 -20.704 6.636 8.681 1.00 0.00 C ATOM 23 C HIS A 717 -21.556 6.081 7.543 1.00 0.00 C ATOM 24 O HIS A 717 -21.145 5.161 6.837 1.00 0.00 O ATOM 25 CB HIS A 717 -19.271 6.871 8.196 1.00 0.00 C ATOM 26 CG HIS A 717 -18.383 7.489 9.231 1.00 0.00 C ATOM 27 ND1 HIS A 717 -17.462 6.767 9.961 1.00 0.00 N ATOM 28 CD2 HIS A 717 -18.276 8.771 9.657 1.00 0.00 C ATOM 29 CE1 HIS A 717 -16.829 7.576 10.791 1.00 0.00 C ATOM 30 NE2 HIS A 717 -17.303 8.796 10.626 1.00 0.00 N ATOM 0 H HIS A 717 -21.089 6.156 10.686 1.00 0.00 H new ATOM 0 HA HIS A 717 -21.134 7.587 8.996 1.00 0.00 H new ATOM 0 HB2 HIS A 717 -18.842 5.920 7.882 1.00 0.00 H new ATOM 0 HB3 HIS A 717 -19.295 7.516 7.317 1.00 0.00 H new ATOM 0 HD2 HIS A 717 -18.849 9.615 9.301 1.00 0.00 H new ATOM 0 HE1 HIS A 717 -16.055 7.288 11.487 1.00 0.00 H new ATOM 0 HE2 HIS A 717 -16.996 9.624 11.136 1.00 0.00 H new ATOM 39 N MET A 718 -22.743 6.654 7.370 1.00 0.00 N ATOM 40 CA MET A 718 -23.657 6.220 6.319 1.00 0.00 C ATOM 41 C MET A 718 -23.357 6.936 5.005 1.00 0.00 C ATOM 42 O MET A 718 -24.268 7.349 4.288 1.00 0.00 O ATOM 43 CB MET A 718 -25.106 6.477 6.739 1.00 0.00 C ATOM 44 CG MET A 718 -25.371 7.911 7.164 1.00 0.00 C ATOM 45 SD MET A 718 -27.080 8.182 7.668 1.00 0.00 S ATOM 46 CE MET A 718 -27.028 9.912 8.126 1.00 0.00 C ATOM 0 H MET A 718 -23.095 7.420 7.944 1.00 0.00 H new ATOM 0 HA MET A 718 -23.515 5.150 6.166 1.00 0.00 H new ATOM 0 HB2 MET A 718 -25.766 6.225 5.909 1.00 0.00 H new ATOM 0 HB3 MET A 718 -25.360 5.810 7.563 1.00 0.00 H new ATOM 0 HG2 MET A 718 -24.708 8.170 7.989 1.00 0.00 H new ATOM 0 HG3 MET A 718 -25.129 8.581 6.339 1.00 0.00 H new ATOM 0 HE1 MET A 718 -28.015 10.230 8.461 1.00 0.00 H new ATOM 0 HE2 MET A 718 -26.308 10.053 8.932 1.00 0.00 H new ATOM 0 HE3 MET A 718 -26.728 10.508 7.264 1.00 0.00 H new ATOM 56 N SER A 719 -22.070 7.078 4.694 1.00 0.00 N ATOM 57 CA SER A 719 -21.648 7.743 3.467 1.00 0.00 C ATOM 58 C SER A 719 -21.915 6.861 2.249 1.00 0.00 C ATOM 59 O SER A 719 -22.905 7.047 1.542 1.00 0.00 O ATOM 60 CB SER A 719 -20.162 8.100 3.539 1.00 0.00 C ATOM 61 OG SER A 719 -19.740 8.769 2.363 1.00 0.00 O ATOM 0 H SER A 719 -21.303 6.741 5.276 1.00 0.00 H new ATOM 0 HA SER A 719 -22.229 8.660 3.363 1.00 0.00 H new ATOM 0 HB2 SER A 719 -19.979 8.733 4.407 1.00 0.00 H new ATOM 0 HB3 SER A 719 -19.573 7.193 3.676 1.00 0.00 H new ATOM 0 HG SER A 719 -18.787 8.988 2.435 1.00 0.00 H new ATOM 67 N LYS A 720 -21.026 5.900 2.012 1.00 0.00 N ATOM 68 CA LYS A 720 -21.168 4.989 0.882 1.00 0.00 C ATOM 69 C LYS A 720 -20.720 3.579 1.256 1.00 0.00 C ATOM 70 O LYS A 720 -21.540 2.737 1.624 1.00 0.00 O ATOM 71 CB LYS A 720 -20.370 5.488 -0.315 1.00 0.00 C ATOM 72 CG LYS A 720 -20.870 6.807 -0.881 1.00 0.00 C ATOM 73 CD LYS A 720 -20.187 7.144 -2.200 1.00 0.00 C ATOM 74 CE LYS A 720 -20.629 6.205 -3.312 1.00 0.00 C ATOM 75 NZ LYS A 720 -22.100 6.260 -3.533 1.00 0.00 N ATOM 0 H LYS A 720 -20.201 5.733 2.587 1.00 0.00 H new ATOM 0 HA LYS A 720 -22.224 4.956 0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -19.326 5.602 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -20.400 4.732 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -21.948 6.754 -1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -20.688 7.605 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -20.417 8.173 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -19.106 7.081 -2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -20.113 6.468 -4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -20.337 5.185 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -22.297 6.292 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -22.545 5.415 -3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -22.488 7.112 -3.079 1.00 0.00 H new ATOM 89 N GLU A 721 -19.414 3.334 1.164 1.00 0.00 N ATOM 90 CA GLU A 721 -18.845 2.028 1.489 1.00 0.00 C ATOM 91 C GLU A 721 -19.445 0.932 0.611 1.00 0.00 C ATOM 92 O GLU A 721 -20.585 0.511 0.803 1.00 0.00 O ATOM 93 CB GLU A 721 -19.064 1.705 2.969 1.00 0.00 C ATOM 94 CG GLU A 721 -18.384 0.425 3.423 1.00 0.00 C ATOM 95 CD GLU A 721 -18.642 0.116 4.885 1.00 0.00 C ATOM 96 OE1 GLU A 721 -19.745 -0.376 5.204 1.00 0.00 O ATOM 97 OE2 GLU A 721 -17.741 0.366 5.713 1.00 0.00 O ATOM 0 H GLU A 721 -18.727 4.027 0.866 1.00 0.00 H new ATOM 0 HA GLU A 721 -17.774 2.068 1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 721 -18.695 2.535 3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 721 -20.134 1.624 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 721 -18.736 -0.406 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 721 -17.310 0.510 3.257 1.00 0.00 H new ATOM 104 N PRO A 722 -18.658 0.458 -0.366 1.00 0.00 N ATOM 105 CA PRO A 722 -19.076 -0.583 -1.299 1.00 0.00 C ATOM 106 C PRO A 722 -19.349 -1.909 -0.604 1.00 0.00 C ATOM 107 O PRO A 722 -20.228 -2.664 -1.019 1.00 0.00 O ATOM 108 CB PRO A 722 -17.906 -0.708 -2.266 1.00 0.00 C ATOM 109 CG PRO A 722 -16.761 -0.074 -1.594 1.00 0.00 C ATOM 110 CD PRO A 722 -17.296 0.910 -0.625 1.00 0.00 C ATOM 0 HA PRO A 722 -20.013 -0.326 -1.793 1.00 0.00 H new ATOM 0 HB2 PRO A 722 -17.696 -1.753 -2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 722 -18.126 -0.214 -3.212 1.00 0.00 H new ATOM 0 HG2 PRO A 722 -16.155 -0.822 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 722 -16.115 0.418 -2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 722 -16.703 0.930 0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 722 -17.283 1.920 -1.036 1.00 0.00 H new ATOM 118 N ARG A 723 -18.596 -2.179 0.463 1.00 0.00 N ATOM 119 CA ARG A 723 -18.751 -3.418 1.216 1.00 0.00 C ATOM 120 C ARG A 723 -18.713 -4.620 0.283 1.00 0.00 C ATOM 121 O ARG A 723 -18.365 -4.489 -0.886 1.00 0.00 O ATOM 122 CB ARG A 723 -20.068 -3.402 1.992 1.00 0.00 C ATOM 123 CG ARG A 723 -19.940 -2.879 3.413 1.00 0.00 C ATOM 124 CD ARG A 723 -19.280 -3.902 4.326 1.00 0.00 C ATOM 125 NE ARG A 723 -19.232 -3.445 5.713 1.00 0.00 N ATOM 126 CZ ARG A 723 -19.460 -4.235 6.759 1.00 0.00 C ATOM 127 NH1 ARG A 723 -19.754 -5.516 6.577 1.00 0.00 N ATOM 128 NH2 ARG A 723 -19.395 -3.744 7.989 1.00 0.00 N ATOM 0 H ARG A 723 -17.874 -1.555 0.823 1.00 0.00 H new ATOM 0 HA ARG A 723 -17.923 -3.498 1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 723 -20.789 -2.787 1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 723 -20.472 -4.414 2.023 1.00 0.00 H new ATOM 0 HG2 ARG A 723 -19.355 -1.959 3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 723 -20.928 -2.628 3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 723 -19.828 -4.843 4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 723 -18.268 -4.102 3.975 1.00 0.00 H new ATOM 0 HE ARG A 723 -19.011 -2.465 5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 723 -19.806 -5.898 5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 723 -19.928 -6.119 7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 723 -19.170 -2.760 8.134 1.00 0.00 H new ATOM 0 HH22 ARG A 723 -19.570 -4.351 8.790 1.00 0.00 H new ATOM 142 N ASP A 724 -19.063 -5.787 0.815 1.00 0.00 N ATOM 143 CA ASP A 724 -19.095 -7.025 0.038 1.00 0.00 C ATOM 144 C ASP A 724 -17.764 -7.327 -0.644 1.00 0.00 C ATOM 145 O ASP A 724 -17.098 -6.453 -1.193 1.00 0.00 O ATOM 146 CB ASP A 724 -20.215 -6.976 -0.999 1.00 0.00 C ATOM 147 CG ASP A 724 -20.364 -8.263 -1.786 1.00 0.00 C ATOM 148 OD1 ASP A 724 -20.944 -9.226 -1.243 1.00 0.00 O ATOM 149 OD2 ASP A 724 -19.914 -8.306 -2.947 1.00 0.00 O ATOM 0 H ASP A 724 -19.332 -5.903 1.792 1.00 0.00 H new ATOM 0 HA ASP A 724 -19.286 -7.833 0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 724 -21.156 -6.756 -0.496 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -20.024 -6.156 -1.691 1.00 0.00 H new ATOM 154 N PRO A 725 -17.376 -8.599 -0.598 1.00 0.00 N ATOM 155 CA PRO A 725 -16.140 -9.090 -1.192 1.00 0.00 C ATOM 156 C PRO A 725 -16.100 -8.948 -2.710 1.00 0.00 C ATOM 157 O PRO A 725 -15.024 -8.883 -3.294 1.00 0.00 O ATOM 158 CB PRO A 725 -16.104 -10.571 -0.798 1.00 0.00 C ATOM 159 CG PRO A 725 -17.502 -10.913 -0.424 1.00 0.00 C ATOM 160 CD PRO A 725 -18.127 -9.652 0.074 1.00 0.00 C ATOM 0 HA PRO A 725 -15.284 -8.516 -0.838 1.00 0.00 H new ATOM 0 HB2 PRO A 725 -15.756 -11.189 -1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 725 -15.422 -10.740 0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 725 -18.049 -11.305 -1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 725 -17.520 -11.685 0.345 1.00 0.00 H new ATOM 0 HD2 PRO A 725 -19.187 -9.607 -0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 725 -18.049 -9.569 1.158 1.00 0.00 H new ATOM 168 N ASP A 726 -17.270 -8.907 -3.344 1.00 0.00 N ATOM 169 CA ASP A 726 -17.347 -8.769 -4.795 1.00 0.00 C ATOM 170 C ASP A 726 -17.467 -7.300 -5.157 1.00 0.00 C ATOM 171 O ASP A 726 -16.825 -6.819 -6.091 1.00 0.00 O ATOM 172 CB ASP A 726 -18.535 -9.556 -5.353 1.00 0.00 C ATOM 173 CG ASP A 726 -18.643 -9.447 -6.863 1.00 0.00 C ATOM 174 OD1 ASP A 726 -18.043 -10.289 -7.563 1.00 0.00 O ATOM 175 OD2 ASP A 726 -19.329 -8.520 -7.342 1.00 0.00 O ATOM 0 H ASP A 726 -18.175 -8.967 -2.877 1.00 0.00 H new ATOM 0 HA ASP A 726 -16.438 -9.176 -5.238 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -18.436 -10.605 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -19.456 -9.190 -4.898 1.00 0.00 H new ATOM 180 N GLN A 727 -18.306 -6.597 -4.405 1.00 0.00 N ATOM 181 CA GLN A 727 -18.502 -5.175 -4.602 1.00 0.00 C ATOM 182 C GLN A 727 -17.158 -4.478 -4.491 1.00 0.00 C ATOM 183 O GLN A 727 -16.800 -3.650 -5.320 1.00 0.00 O ATOM 184 CB GLN A 727 -19.482 -4.646 -3.556 1.00 0.00 C ATOM 185 CG GLN A 727 -20.918 -5.020 -3.853 1.00 0.00 C ATOM 186 CD GLN A 727 -21.914 -4.254 -3.005 1.00 0.00 C ATOM 187 OE1 GLN A 727 -22.289 -4.692 -1.918 1.00 0.00 O ATOM 188 NE2 GLN A 727 -22.346 -3.099 -3.500 1.00 0.00 N ATOM 0 H GLN A 727 -18.863 -6.997 -3.649 1.00 0.00 H new ATOM 0 HA GLN A 727 -18.921 -4.981 -5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 727 -19.205 -5.036 -2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 727 -19.398 -3.561 -3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 727 -21.126 -4.834 -4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 727 -21.052 -6.089 -3.686 1.00 0.00 H new ATOM 0 HE21 GLN A 727 -22.008 -2.774 -4.406 1.00 0.00 H new ATOM 0 HE22 GLN A 727 -23.015 -2.537 -2.974 1.00 0.00 H new ATOM 197 N LEU A 728 -16.413 -4.866 -3.463 1.00 0.00 N ATOM 198 CA LEU A 728 -15.082 -4.336 -3.205 1.00 0.00 C ATOM 199 C LEU A 728 -14.103 -4.889 -4.213 1.00 0.00 C ATOM 200 O LEU A 728 -13.418 -4.141 -4.886 1.00 0.00 O ATOM 201 CB LEU A 728 -14.651 -4.718 -1.798 1.00 0.00 C ATOM 202 CG LEU A 728 -15.189 -3.806 -0.713 1.00 0.00 C ATOM 203 CD1 LEU A 728 -15.098 -4.469 0.650 1.00 0.00 C ATOM 204 CD2 LEU A 728 -14.396 -2.521 -0.741 1.00 0.00 C ATOM 0 H LEU A 728 -16.718 -5.561 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 728 -15.101 -3.250 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 728 -14.978 -5.738 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 728 -13.562 -4.717 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 728 -16.243 -3.596 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 728 -15.490 -3.793 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 728 -15.682 -5.390 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 728 -14.057 -4.701 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 728 -14.766 -1.848 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 728 -13.344 -2.739 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 728 -14.505 -2.047 -1.717 1.00 0.00 H new ATOM 216 N TYR A 729 -14.063 -6.204 -4.338 1.00 0.00 N ATOM 217 CA TYR A 729 -13.163 -6.838 -5.283 1.00 0.00 C ATOM 218 C TYR A 729 -13.028 -6.005 -6.532 1.00 0.00 C ATOM 219 O TYR A 729 -11.947 -5.504 -6.821 1.00 0.00 O ATOM 220 CB TYR A 729 -13.707 -8.217 -5.643 1.00 0.00 C ATOM 221 CG TYR A 729 -13.446 -8.648 -7.061 1.00 0.00 C ATOM 222 CD1 TYR A 729 -12.165 -8.857 -7.459 1.00 0.00 C ATOM 223 CD2 TYR A 729 -14.468 -8.861 -7.976 1.00 0.00 C ATOM 224 CE1 TYR A 729 -11.854 -9.267 -8.726 1.00 0.00 C ATOM 225 CE2 TYR A 729 -14.182 -9.273 -9.267 1.00 0.00 C ATOM 226 CZ TYR A 729 -12.866 -9.476 -9.639 1.00 0.00 C ATOM 227 OH TYR A 729 -12.568 -9.890 -10.916 1.00 0.00 O ATOM 0 H TYR A 729 -14.640 -6.850 -3.800 1.00 0.00 H new ATOM 0 HA TYR A 729 -12.179 -6.933 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -13.269 -8.952 -4.968 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -14.783 -8.225 -5.468 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -11.365 -8.694 -6.752 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -15.494 -8.704 -7.679 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -10.824 -9.426 -9.009 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -14.980 -9.434 -9.977 1.00 0.00 H new ATOM 0 HH TYR A 729 -13.397 -9.990 -11.429 1.00 0.00 H new ATOM 237 N SER A 730 -14.112 -5.795 -7.245 1.00 0.00 N ATOM 238 CA SER A 730 -14.005 -5.031 -8.456 1.00 0.00 C ATOM 239 C SER A 730 -14.072 -3.532 -8.229 1.00 0.00 C ATOM 240 O SER A 730 -13.680 -2.760 -9.105 1.00 0.00 O ATOM 241 CB SER A 730 -14.925 -5.525 -9.544 1.00 0.00 C ATOM 242 OG SER A 730 -15.478 -4.451 -10.286 1.00 0.00 O ATOM 0 H SER A 730 -15.047 -6.132 -7.014 1.00 0.00 H new ATOM 0 HA SER A 730 -12.997 -5.208 -8.832 1.00 0.00 H new ATOM 0 HB2 SER A 730 -14.375 -6.186 -10.214 1.00 0.00 H new ATOM 0 HB3 SER A 730 -15.728 -6.115 -9.102 1.00 0.00 H new ATOM 0 HG SER A 730 -16.068 -4.805 -10.984 1.00 0.00 H new ATOM 248 N THR A 731 -14.570 -3.100 -7.071 1.00 0.00 N ATOM 249 CA THR A 731 -14.574 -1.674 -6.786 1.00 0.00 C ATOM 250 C THR A 731 -13.134 -1.293 -6.777 1.00 0.00 C ATOM 251 O THR A 731 -12.650 -0.511 -7.591 1.00 0.00 O ATOM 252 CB THR A 731 -15.191 -1.338 -5.411 1.00 0.00 C ATOM 253 OG1 THR A 731 -16.610 -1.180 -5.539 1.00 0.00 O ATOM 254 CG2 THR A 731 -14.590 -0.063 -4.819 1.00 0.00 C ATOM 0 H THR A 731 -14.962 -3.695 -6.341 1.00 0.00 H new ATOM 0 HA THR A 731 -15.174 -1.140 -7.523 1.00 0.00 H new ATOM 0 HB THR A 731 -14.967 -2.165 -4.737 1.00 0.00 H new ATOM 0 HG1 THR A 731 -17.015 -2.040 -5.779 1.00 0.00 H new ATOM 0 HG21 THR A 731 -15.049 0.141 -3.852 1.00 0.00 H new ATOM 0 HG22 THR A 731 -13.515 -0.193 -4.690 1.00 0.00 H new ATOM 0 HG23 THR A 731 -14.776 0.774 -5.492 1.00 0.00 H new ATOM 262 N LEU A 732 -12.473 -1.942 -5.854 1.00 0.00 N ATOM 263 CA LEU A 732 -11.067 -1.832 -5.646 1.00 0.00 C ATOM 264 C LEU A 732 -10.325 -2.195 -6.923 1.00 0.00 C ATOM 265 O LEU A 732 -9.258 -1.661 -7.200 1.00 0.00 O ATOM 266 CB LEU A 732 -10.680 -2.788 -4.542 1.00 0.00 C ATOM 267 CG LEU A 732 -11.581 -2.829 -3.312 1.00 0.00 C ATOM 268 CD1 LEU A 732 -11.436 -4.161 -2.637 1.00 0.00 C ATOM 269 CD2 LEU A 732 -11.222 -1.730 -2.353 1.00 0.00 C ATOM 0 H LEU A 732 -12.925 -2.586 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 732 -10.806 -0.810 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 732 -10.637 -3.792 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 732 -9.671 -2.536 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 732 -12.615 -2.685 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 732 -12.078 -4.195 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 732 -11.725 -4.953 -3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 732 -10.399 -4.305 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 732 -11.877 -1.778 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 732 -10.186 -1.849 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 732 -11.342 -0.765 -2.845 1.00 0.00 H new ATOM 281 N LYS A 733 -10.896 -3.120 -7.699 1.00 0.00 N ATOM 282 CA LYS A 733 -10.278 -3.536 -8.954 1.00 0.00 C ATOM 283 C LYS A 733 -10.062 -2.314 -9.811 1.00 0.00 C ATOM 284 O LYS A 733 -9.142 -2.256 -10.615 1.00 0.00 O ATOM 285 CB LYS A 733 -11.155 -4.556 -9.685 1.00 0.00 C ATOM 286 CG LYS A 733 -10.598 -5.043 -11.009 1.00 0.00 C ATOM 287 CD LYS A 733 -10.973 -6.494 -11.274 1.00 0.00 C ATOM 288 CE LYS A 733 -12.419 -6.641 -11.701 1.00 0.00 C ATOM 289 NZ LYS A 733 -12.901 -5.469 -12.482 1.00 0.00 N ATOM 0 H LYS A 733 -11.775 -3.589 -7.481 1.00 0.00 H new ATOM 0 HA LYS A 733 -9.322 -4.017 -8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 733 -11.307 -5.416 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -12.135 -4.112 -9.861 1.00 0.00 H new ATOM 0 HG2 LYS A 733 -10.976 -4.416 -11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -9.513 -4.941 -11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -10.324 -6.900 -12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -10.800 -7.083 -10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 733 -12.528 -7.544 -12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -13.045 -6.768 -10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 -13.781 -5.720 -12.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 -13.081 -4.673 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 -12.179 -5.195 -13.178 1.00 0.00 H new ATOM 303 N SER A 734 -10.903 -1.318 -9.582 1.00 0.00 N ATOM 304 CA SER A 734 -10.833 -0.067 -10.322 1.00 0.00 C ATOM 305 C SER A 734 -9.861 0.869 -9.637 1.00 0.00 C ATOM 306 O SER A 734 -8.996 1.447 -10.294 1.00 0.00 O ATOM 307 CB SER A 734 -12.214 0.581 -10.437 1.00 0.00 C ATOM 308 OG SER A 734 -13.142 -0.298 -11.049 1.00 0.00 O ATOM 0 H SER A 734 -11.647 -1.352 -8.885 1.00 0.00 H new ATOM 0 HA SER A 734 -10.481 -0.275 -11.332 1.00 0.00 H new ATOM 0 HB2 SER A 734 -12.572 0.860 -9.446 1.00 0.00 H new ATOM 0 HB3 SER A 734 -12.140 1.500 -11.019 1.00 0.00 H new ATOM 0 HG SER A 734 -13.323 -1.052 -10.449 1.00 0.00 H new ATOM 314 N ILE A 735 -10.003 1.039 -8.318 1.00 0.00 N ATOM 315 CA ILE A 735 -9.072 1.880 -7.600 1.00 0.00 C ATOM 316 C ILE A 735 -7.681 1.395 -7.931 1.00 0.00 C ATOM 317 O ILE A 735 -6.927 2.091 -8.590 1.00 0.00 O ATOM 318 CB ILE A 735 -9.300 1.876 -6.078 1.00 0.00 C ATOM 319 CG1 ILE A 735 -10.689 2.416 -5.799 1.00 0.00 C ATOM 320 CG2 ILE A 735 -8.258 2.757 -5.384 1.00 0.00 C ATOM 321 CD1 ILE A 735 -11.756 1.380 -5.823 1.00 0.00 C ATOM 0 H ILE A 735 -10.735 0.614 -7.749 1.00 0.00 H new ATOM 0 HA ILE A 735 -9.219 2.914 -7.912 1.00 0.00 H new ATOM 0 HB ILE A 735 -9.205 0.860 -5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 735 -10.690 2.901 -4.823 1.00 0.00 H new ATOM 0 HG13 ILE A 735 -10.925 3.183 -6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 735 -8.431 2.746 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 735 -7.259 2.375 -5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 735 -8.341 3.779 -5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 735 -12.719 1.845 -5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 735 -11.785 0.910 -6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 735 -11.547 0.624 -5.066 1.00 0.00 H new ATOM 333 N LEU A 736 -7.390 0.160 -7.540 1.00 0.00 N ATOM 334 CA LEU A 736 -6.104 -0.463 -7.829 1.00 0.00 C ATOM 335 C LEU A 736 -5.682 -0.147 -9.244 1.00 0.00 C ATOM 336 O LEU A 736 -4.629 0.435 -9.482 1.00 0.00 O ATOM 337 CB LEU A 736 -6.210 -1.979 -7.675 1.00 0.00 C ATOM 338 CG LEU A 736 -5.168 -2.602 -6.778 1.00 0.00 C ATOM 339 CD1 LEU A 736 -5.419 -4.071 -6.717 1.00 0.00 C ATOM 340 CD2 LEU A 736 -3.773 -2.273 -7.243 1.00 0.00 C ATOM 0 H LEU A 736 -8.034 -0.434 -7.017 1.00 0.00 H new ATOM 0 HA LEU A 736 -5.366 -0.072 -7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -7.198 -2.221 -7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -6.138 -2.436 -8.662 1.00 0.00 H new ATOM 0 HG LEU A 736 -5.246 -2.189 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -4.676 -4.541 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -6.415 -4.253 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -5.350 -4.494 -7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -3.048 -2.737 -6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -3.628 -2.651 -8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -3.633 -1.192 -7.236 1.00 0.00 H new ATOM 352 N GLN A 737 -6.529 -0.555 -10.174 1.00 0.00 N ATOM 353 CA GLN A 737 -6.302 -0.322 -11.591 1.00 0.00 C ATOM 354 C GLN A 737 -5.814 1.102 -11.834 1.00 0.00 C ATOM 355 O GLN A 737 -4.896 1.340 -12.618 1.00 0.00 O ATOM 356 CB GLN A 737 -7.604 -0.590 -12.355 1.00 0.00 C ATOM 357 CG GLN A 737 -7.685 -1.980 -12.952 1.00 0.00 C ATOM 358 CD GLN A 737 -8.911 -2.182 -13.826 1.00 0.00 C ATOM 359 OE1 GLN A 737 -9.993 -1.483 -13.504 1.00 0.00 O flip ATOM 360 NE2 GLN A 737 -8.884 -2.960 -14.779 1.00 0.00 N flip ATOM 0 H GLN A 737 -7.393 -1.057 -9.969 1.00 0.00 H new ATOM 0 HA GLN A 737 -5.527 -0.999 -11.950 1.00 0.00 H new ATOM 0 HB2 GLN A 737 -8.447 -0.444 -11.680 1.00 0.00 H new ATOM 0 HB3 GLN A 737 -7.704 0.145 -13.154 1.00 0.00 H new ATOM 0 HG2 GLN A 737 -6.789 -2.168 -13.544 1.00 0.00 H new ATOM 0 HG3 GLN A 737 -7.695 -2.715 -12.147 1.00 0.00 H new ATOM 0 HE21 GLN A 737 -8.031 -3.477 -14.991 1.00 0.00 H new ATOM 0 HE22 GLN A 737 -9.715 -3.087 -15.357 1.00 0.00 H new ATOM 369 N GLN A 738 -6.409 2.035 -11.112 1.00 0.00 N ATOM 370 CA GLN A 738 -6.076 3.446 -11.233 1.00 0.00 C ATOM 371 C GLN A 738 -4.774 3.807 -10.515 1.00 0.00 C ATOM 372 O GLN A 738 -3.847 4.338 -11.127 1.00 0.00 O ATOM 373 CB GLN A 738 -7.230 4.267 -10.673 1.00 0.00 C ATOM 374 CG GLN A 738 -8.476 4.177 -11.529 1.00 0.00 C ATOM 375 CD GLN A 738 -9.721 4.629 -10.797 1.00 0.00 C ATOM 376 OE1 GLN A 738 -9.755 4.387 -9.493 1.00 0.00 O flip ATOM 377 NE2 GLN A 738 -10.644 5.183 -11.397 1.00 0.00 N flip ATOM 0 H GLN A 738 -7.137 1.837 -10.425 1.00 0.00 H new ATOM 0 HA GLN A 738 -5.920 3.670 -12.288 1.00 0.00 H new ATOM 0 HB2 GLN A 738 -7.460 3.923 -9.665 1.00 0.00 H new ATOM 0 HB3 GLN A 738 -6.924 5.310 -10.592 1.00 0.00 H new ATOM 0 HG2 GLN A 738 -8.343 4.787 -12.422 1.00 0.00 H new ATOM 0 HG3 GLN A 738 -8.609 3.148 -11.863 1.00 0.00 H new ATOM 0 HE21 GLN A 738 -10.573 5.348 -12.401 1.00 0.00 H new ATOM 0 HE22 GLN A 738 -11.479 5.476 -10.890 1.00 0.00 H new ATOM 386 N VAL A 739 -4.714 3.526 -9.216 1.00 0.00 N ATOM 387 CA VAL A 739 -3.543 3.833 -8.412 1.00 0.00 C ATOM 388 C VAL A 739 -2.289 3.250 -9.030 1.00 0.00 C ATOM 389 O VAL A 739 -1.236 3.870 -8.999 1.00 0.00 O ATOM 390 CB VAL A 739 -3.688 3.298 -6.964 1.00 0.00 C ATOM 391 CG1 VAL A 739 -5.120 2.975 -6.608 1.00 0.00 C ATOM 392 CG2 VAL A 739 -2.794 2.106 -6.749 1.00 0.00 C ATOM 0 H VAL A 739 -5.472 3.082 -8.697 1.00 0.00 H new ATOM 0 HA VAL A 739 -3.461 4.919 -8.380 1.00 0.00 H new ATOM 0 HB VAL A 739 -3.373 4.097 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 739 -5.166 2.604 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 739 -5.729 3.875 -6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 739 -5.501 2.212 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 739 -2.909 1.744 -5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 739 -3.068 1.315 -7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 739 -1.756 2.394 -6.917 1.00 0.00 H new ATOM 402 N LYS A 740 -2.402 2.051 -9.582 1.00 0.00 N ATOM 403 CA LYS A 740 -1.252 1.410 -10.181 1.00 0.00 C ATOM 404 C LYS A 740 -1.016 1.953 -11.565 1.00 0.00 C ATOM 405 O LYS A 740 0.093 1.905 -12.065 1.00 0.00 O ATOM 406 CB LYS A 740 -1.411 -0.088 -10.235 1.00 0.00 C ATOM 407 CG LYS A 740 -2.320 -0.509 -11.323 1.00 0.00 C ATOM 408 CD LYS A 740 -3.157 -1.720 -10.941 1.00 0.00 C ATOM 409 CE LYS A 740 -2.740 -2.959 -11.715 1.00 0.00 C ATOM 410 NZ LYS A 740 -3.848 -3.948 -11.821 1.00 0.00 N ATOM 0 H LYS A 740 -3.267 1.513 -9.625 1.00 0.00 H new ATOM 0 HA LYS A 740 -0.389 1.630 -9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -0.435 -0.551 -10.378 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -1.797 -0.446 -9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -2.980 0.319 -11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -1.735 -0.741 -12.213 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -3.058 -1.908 -9.872 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -4.209 -1.509 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -2.415 -2.670 -12.714 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -1.885 -3.423 -11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -3.459 -4.879 -12.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -4.342 -4.015 -10.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -4.518 -3.642 -12.556 1.00 0.00 H new ATOM 424 N SER A 741 -2.070 2.435 -12.208 1.00 0.00 N ATOM 425 CA SER A 741 -1.904 3.017 -13.520 1.00 0.00 C ATOM 426 C SER A 741 -1.320 4.416 -13.366 1.00 0.00 C ATOM 427 O SER A 741 -1.126 5.143 -14.341 1.00 0.00 O ATOM 428 CB SER A 741 -3.234 3.079 -14.268 1.00 0.00 C ATOM 429 OG SER A 741 -4.107 4.034 -13.692 1.00 0.00 O ATOM 0 H SER A 741 -3.025 2.433 -11.849 1.00 0.00 H new ATOM 0 HA SER A 741 -1.227 2.393 -14.103 1.00 0.00 H new ATOM 0 HB2 SER A 741 -3.054 3.332 -15.313 1.00 0.00 H new ATOM 0 HB3 SER A 741 -3.707 2.097 -14.255 1.00 0.00 H new ATOM 0 HG SER A 741 -3.861 4.179 -12.755 1.00 0.00 H new ATOM 435 N HIS A 742 -1.046 4.772 -12.113 1.00 0.00 N ATOM 436 CA HIS A 742 -0.499 6.075 -11.768 1.00 0.00 C ATOM 437 C HIS A 742 0.949 6.220 -12.230 1.00 0.00 C ATOM 438 O HIS A 742 1.714 5.258 -12.243 1.00 0.00 O ATOM 439 CB HIS A 742 -0.601 6.292 -10.247 1.00 0.00 C ATOM 440 CG HIS A 742 -0.337 7.694 -9.811 1.00 0.00 C ATOM 441 ND1 HIS A 742 0.674 8.472 -10.320 1.00 0.00 N ATOM 442 CD2 HIS A 742 -0.964 8.454 -8.894 1.00 0.00 C ATOM 443 CE1 HIS A 742 0.660 9.648 -9.734 1.00 0.00 C ATOM 444 NE2 HIS A 742 -0.327 9.667 -8.864 1.00 0.00 N ATOM 0 H HIS A 742 -1.198 4.162 -11.310 1.00 0.00 H new ATOM 0 HA HIS A 742 -1.083 6.836 -12.285 1.00 0.00 H new ATOM 0 HB2 HIS A 742 -1.598 6.002 -9.916 1.00 0.00 H new ATOM 0 HB3 HIS A 742 0.106 5.629 -9.748 1.00 0.00 H new ATOM 0 HD2 HIS A 742 -1.812 8.162 -8.293 1.00 0.00 H new ATOM 0 HE1 HIS A 742 1.343 10.461 -9.933 1.00 0.00 H new ATOM 0 HE2 HIS A 742 -0.577 10.455 -8.266 1.00 0.00 H new ATOM 453 N GLN A 743 1.299 7.440 -12.626 1.00 0.00 N ATOM 454 CA GLN A 743 2.645 7.767 -13.068 1.00 0.00 C ATOM 455 C GLN A 743 3.631 7.642 -11.907 1.00 0.00 C ATOM 456 O GLN A 743 4.839 7.804 -12.068 1.00 0.00 O ATOM 457 CB GLN A 743 2.656 9.187 -13.614 1.00 0.00 C ATOM 458 CG GLN A 743 3.975 9.569 -14.235 1.00 0.00 C ATOM 459 CD GLN A 743 4.097 11.057 -14.495 1.00 0.00 C ATOM 460 OE1 GLN A 743 3.738 11.543 -15.568 1.00 0.00 O ATOM 461 NE2 GLN A 743 4.605 11.790 -13.512 1.00 0.00 N ATOM 0 H GLN A 743 0.654 8.230 -12.648 1.00 0.00 H new ATOM 0 HA GLN A 743 2.948 7.071 -13.850 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.867 9.290 -14.359 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.426 9.882 -12.807 1.00 0.00 H new ATOM 0 HG2 GLN A 743 4.785 9.253 -13.578 1.00 0.00 H new ATOM 0 HG3 GLN A 743 4.098 9.030 -15.174 1.00 0.00 H new ATOM 0 HE21 GLN A 743 4.890 11.346 -12.639 1.00 0.00 H new ATOM 0 HE22 GLN A 743 4.711 12.798 -13.629 1.00 0.00 H new ATOM 470 N SER A 744 3.085 7.353 -10.736 1.00 0.00 N ATOM 471 CA SER A 744 3.866 7.191 -9.517 1.00 0.00 C ATOM 472 C SER A 744 3.761 5.770 -9.027 1.00 0.00 C ATOM 473 O SER A 744 4.273 5.413 -7.967 1.00 0.00 O ATOM 474 CB SER A 744 3.354 8.146 -8.434 1.00 0.00 C ATOM 475 OG SER A 744 3.939 9.430 -8.561 1.00 0.00 O ATOM 0 H SER A 744 2.082 7.223 -10.603 1.00 0.00 H new ATOM 0 HA SER A 744 4.909 7.422 -9.734 1.00 0.00 H new ATOM 0 HB2 SER A 744 2.269 8.230 -8.503 1.00 0.00 H new ATOM 0 HB3 SER A 744 3.580 7.737 -7.449 1.00 0.00 H new ATOM 0 HG SER A 744 4.900 9.336 -8.730 1.00 0.00 H new ATOM 481 N ALA A 745 3.084 4.968 -9.812 1.00 0.00 N ATOM 482 CA ALA A 745 2.863 3.588 -9.471 1.00 0.00 C ATOM 483 C ALA A 745 3.814 2.618 -10.153 1.00 0.00 C ATOM 484 O ALA A 745 3.686 1.421 -9.954 1.00 0.00 O ATOM 485 CB ALA A 745 1.441 3.239 -9.845 1.00 0.00 C ATOM 0 H ALA A 745 2.673 5.254 -10.701 1.00 0.00 H new ATOM 0 HA ALA A 745 3.048 3.485 -8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 745 1.245 2.196 -9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 745 0.752 3.879 -9.293 1.00 0.00 H new ATOM 0 HB3 ALA A 745 1.299 3.390 -10.915 1.00 0.00 H new ATOM 491 N TRP A 746 4.764 3.094 -10.942 1.00 0.00 N ATOM 492 CA TRP A 746 5.663 2.164 -11.618 1.00 0.00 C ATOM 493 C TRP A 746 6.577 1.394 -10.652 1.00 0.00 C ATOM 494 O TRP A 746 6.890 0.234 -10.922 1.00 0.00 O ATOM 495 CB TRP A 746 6.463 2.836 -12.728 1.00 0.00 C ATOM 496 CG TRP A 746 7.010 4.175 -12.376 1.00 0.00 C ATOM 497 CD1 TRP A 746 6.389 5.378 -12.529 1.00 0.00 C ATOM 498 CD2 TRP A 746 8.294 4.448 -11.816 1.00 0.00 C ATOM 499 NE1 TRP A 746 7.223 6.390 -12.123 1.00 0.00 N ATOM 500 CE2 TRP A 746 8.397 5.842 -11.676 1.00 0.00 C ATOM 501 CE3 TRP A 746 9.369 3.644 -11.424 1.00 0.00 C ATOM 502 CZ2 TRP A 746 9.533 6.451 -11.164 1.00 0.00 C ATOM 503 CZ3 TRP A 746 10.494 4.252 -10.909 1.00 0.00 C ATOM 504 CH2 TRP A 746 10.567 5.643 -10.785 1.00 0.00 C ATOM 0 H TRP A 746 4.933 4.083 -11.128 1.00 0.00 H new ATOM 0 HA TRP A 746 5.016 1.422 -12.086 1.00 0.00 H new ATOM 0 HB2 TRP A 746 7.289 2.183 -13.008 1.00 0.00 H new ATOM 0 HB3 TRP A 746 5.826 2.938 -13.606 1.00 0.00 H new ATOM 0 HD1 TRP A 746 5.389 5.515 -12.913 1.00 0.00 H new ATOM 0 HE1 TRP A 746 7.005 7.386 -12.150 1.00 0.00 H new ATOM 0 HE3 TRP A 746 9.319 2.570 -11.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 746 9.598 7.525 -11.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 746 11.331 3.645 -10.597 1.00 0.00 H new ATOM 0 HH2 TRP A 746 11.463 6.089 -10.380 1.00 0.00 H new ATOM 515 N PRO A 747 7.035 1.985 -9.519 1.00 0.00 N ATOM 516 CA PRO A 747 7.866 1.246 -8.578 1.00 0.00 C ATOM 517 C PRO A 747 7.032 0.211 -7.850 1.00 0.00 C ATOM 518 O PRO A 747 7.554 -0.674 -7.177 1.00 0.00 O ATOM 519 CB PRO A 747 8.384 2.298 -7.588 1.00 0.00 C ATOM 520 CG PRO A 747 7.813 3.609 -8.003 1.00 0.00 C ATOM 521 CD PRO A 747 6.777 3.361 -9.059 1.00 0.00 C ATOM 0 HA PRO A 747 8.679 0.717 -9.076 1.00 0.00 H new ATOM 0 HB2 PRO A 747 8.082 2.051 -6.570 1.00 0.00 H new ATOM 0 HB3 PRO A 747 9.473 2.332 -7.597 1.00 0.00 H new ATOM 0 HG2 PRO A 747 7.368 4.117 -7.147 1.00 0.00 H new ATOM 0 HG3 PRO A 747 8.598 4.260 -8.387 1.00 0.00 H new ATOM 0 HD2 PRO A 747 5.769 3.462 -8.656 1.00 0.00 H new ATOM 0 HD3 PRO A 747 6.866 4.076 -9.877 1.00 0.00 H new ATOM 529 N PHE A 748 5.716 0.328 -8.011 1.00 0.00 N ATOM 530 CA PHE A 748 4.784 -0.568 -7.352 1.00 0.00 C ATOM 531 C PHE A 748 3.978 -1.382 -8.366 1.00 0.00 C ATOM 532 O PHE A 748 3.375 -2.391 -8.019 1.00 0.00 O ATOM 533 CB PHE A 748 3.853 0.232 -6.429 1.00 0.00 C ATOM 534 CG PHE A 748 4.474 1.455 -5.826 1.00 0.00 C ATOM 535 CD1 PHE A 748 5.772 1.440 -5.411 1.00 0.00 C ATOM 536 CD2 PHE A 748 3.754 2.626 -5.697 1.00 0.00 C ATOM 537 CE1 PHE A 748 6.360 2.558 -4.873 1.00 0.00 C ATOM 538 CE2 PHE A 748 4.344 3.755 -5.155 1.00 0.00 C ATOM 539 CZ PHE A 748 5.643 3.715 -4.746 1.00 0.00 C ATOM 0 H PHE A 748 5.275 1.039 -8.595 1.00 0.00 H new ATOM 0 HA PHE A 748 5.356 -1.275 -6.751 1.00 0.00 H new ATOM 0 HB2 PHE A 748 2.970 0.530 -6.995 1.00 0.00 H new ATOM 0 HB3 PHE A 748 3.511 -0.420 -5.625 1.00 0.00 H new ATOM 0 HD1 PHE A 748 6.349 0.532 -5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 748 2.724 2.661 -6.021 1.00 0.00 H new ATOM 0 HE1 PHE A 748 7.390 2.523 -4.550 1.00 0.00 H new ATOM 0 HE2 PHE A 748 3.775 4.667 -5.056 1.00 0.00 H new ATOM 0 HZ PHE A 748 6.105 4.595 -4.323 1.00 0.00 H new ATOM 549 N MET A 749 3.995 -0.950 -9.627 1.00 0.00 N ATOM 550 CA MET A 749 3.238 -1.617 -10.691 1.00 0.00 C ATOM 551 C MET A 749 3.426 -3.117 -10.650 1.00 0.00 C ATOM 552 O MET A 749 2.513 -3.886 -10.948 1.00 0.00 O ATOM 553 CB MET A 749 3.646 -1.078 -12.049 1.00 0.00 C ATOM 554 CG MET A 749 2.743 0.041 -12.466 1.00 0.00 C ATOM 555 SD MET A 749 3.381 1.038 -13.810 1.00 0.00 S ATOM 556 CE MET A 749 2.445 2.500 -13.432 1.00 0.00 C ATOM 0 H MET A 749 4.527 -0.138 -9.939 1.00 0.00 H new ATOM 0 HA MET A 749 2.182 -1.406 -10.526 1.00 0.00 H new ATOM 0 HB2 MET A 749 4.677 -0.726 -12.011 1.00 0.00 H new ATOM 0 HB3 MET A 749 3.609 -1.877 -12.789 1.00 0.00 H new ATOM 0 HG2 MET A 749 1.780 -0.375 -12.763 1.00 0.00 H new ATOM 0 HG3 MET A 749 2.560 0.685 -11.606 1.00 0.00 H new ATOM 0 HE1 MET A 749 2.972 3.377 -13.808 1.00 0.00 H new ATOM 0 HE2 MET A 749 1.464 2.436 -13.904 1.00 0.00 H new ATOM 0 HE3 MET A 749 2.323 2.585 -12.352 1.00 0.00 H new ATOM 566 N GLU A 750 4.622 -3.515 -10.274 1.00 0.00 N ATOM 567 CA GLU A 750 4.974 -4.910 -10.175 1.00 0.00 C ATOM 568 C GLU A 750 6.093 -5.083 -9.163 1.00 0.00 C ATOM 569 O GLU A 750 7.021 -4.276 -9.121 1.00 0.00 O ATOM 570 CB GLU A 750 5.417 -5.434 -11.534 1.00 0.00 C ATOM 571 CG GLU A 750 4.281 -5.979 -12.381 1.00 0.00 C ATOM 572 CD GLU A 750 4.757 -6.538 -13.707 1.00 0.00 C ATOM 573 OE1 GLU A 750 5.185 -7.710 -13.740 1.00 0.00 O ATOM 574 OE2 GLU A 750 4.704 -5.801 -14.715 1.00 0.00 O ATOM 0 H GLU A 750 5.378 -2.876 -10.028 1.00 0.00 H new ATOM 0 HA GLU A 750 4.102 -5.476 -9.847 1.00 0.00 H new ATOM 0 HB2 GLU A 750 5.911 -4.630 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 750 6.157 -6.220 -11.386 1.00 0.00 H new ATOM 0 HG2 GLU A 750 3.763 -6.761 -11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 750 3.557 -5.185 -12.565 1.00 0.00 H new ATOM 581 N PRO A 751 6.019 -6.128 -8.327 1.00 0.00 N ATOM 582 CA PRO A 751 7.027 -6.399 -7.316 1.00 0.00 C ATOM 583 C PRO A 751 8.425 -6.228 -7.853 1.00 0.00 C ATOM 584 O PRO A 751 8.787 -6.790 -8.888 1.00 0.00 O ATOM 585 CB PRO A 751 6.768 -7.844 -6.900 1.00 0.00 C ATOM 586 CG PRO A 751 5.719 -8.334 -7.828 1.00 0.00 C ATOM 587 CD PRO A 751 4.967 -7.135 -8.292 1.00 0.00 C ATOM 0 HA PRO A 751 6.958 -5.704 -6.479 1.00 0.00 H new ATOM 0 HB2 PRO A 751 7.674 -8.445 -6.978 1.00 0.00 H new ATOM 0 HB3 PRO A 751 6.435 -7.902 -5.864 1.00 0.00 H new ATOM 0 HG2 PRO A 751 6.164 -8.863 -8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 751 5.055 -9.037 -7.325 1.00 0.00 H new ATOM 0 HD2 PRO A 751 4.514 -7.289 -9.271 1.00 0.00 H new ATOM 0 HD3 PRO A 751 4.163 -6.865 -7.607 1.00 0.00 H new ATOM 595 N VAL A 752 9.202 -5.444 -7.134 1.00 0.00 N ATOM 596 CA VAL A 752 10.564 -5.161 -7.525 1.00 0.00 C ATOM 597 C VAL A 752 11.343 -6.458 -7.698 1.00 0.00 C ATOM 598 O VAL A 752 10.874 -7.541 -7.346 1.00 0.00 O ATOM 599 CB VAL A 752 11.267 -4.214 -6.508 1.00 0.00 C ATOM 600 CG1 VAL A 752 10.280 -3.615 -5.550 1.00 0.00 C ATOM 601 CG2 VAL A 752 12.402 -4.896 -5.759 1.00 0.00 C ATOM 0 H VAL A 752 8.909 -4.989 -6.269 1.00 0.00 H new ATOM 0 HA VAL A 752 10.540 -4.641 -8.483 1.00 0.00 H new ATOM 0 HB VAL A 752 11.712 -3.409 -7.093 1.00 0.00 H new ATOM 0 HG11 VAL A 752 10.802 -2.959 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 752 9.538 -3.040 -6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 752 9.782 -4.411 -4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 752 12.856 -4.189 -5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 752 12.011 -5.750 -5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 752 13.153 -5.238 -6.470 1.00 0.00 H new ATOM 611 N LYS A 753 12.533 -6.322 -8.239 1.00 0.00 N ATOM 612 CA LYS A 753 13.425 -7.445 -8.498 1.00 0.00 C ATOM 613 C LYS A 753 13.744 -8.224 -7.231 1.00 0.00 C ATOM 614 O LYS A 753 14.469 -9.218 -7.276 1.00 0.00 O ATOM 615 CB LYS A 753 14.727 -6.886 -9.065 1.00 0.00 C ATOM 616 CG LYS A 753 14.843 -6.941 -10.567 1.00 0.00 C ATOM 617 CD LYS A 753 15.048 -8.360 -11.064 1.00 0.00 C ATOM 618 CE LYS A 753 14.933 -8.429 -12.574 1.00 0.00 C ATOM 619 NZ LYS A 753 16.083 -7.767 -13.252 1.00 0.00 N ATOM 0 H LYS A 753 12.919 -5.420 -8.517 1.00 0.00 H new ATOM 0 HA LYS A 753 12.934 -8.125 -9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 753 14.829 -5.849 -8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 753 15.561 -7.437 -8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 753 13.942 -6.525 -11.017 1.00 0.00 H new ATOM 0 HG3 LYS A 753 15.677 -6.318 -10.890 1.00 0.00 H new ATOM 0 HD2 LYS A 753 16.029 -8.720 -10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 753 14.308 -9.019 -10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 753 14.879 -9.472 -12.886 1.00 0.00 H new ATOM 0 HE3 LYS A 753 14.004 -7.954 -12.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 15.965 -7.837 -14.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 16.120 -6.765 -12.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 16.968 -8.236 -12.972 1.00 0.00 H new ATOM 633 N ARG A 754 13.206 -7.769 -6.103 1.00 0.00 N ATOM 634 CA ARG A 754 13.502 -8.373 -4.816 1.00 0.00 C ATOM 635 C ARG A 754 14.988 -8.197 -4.556 1.00 0.00 C ATOM 636 O ARG A 754 15.514 -8.600 -3.518 1.00 0.00 O ATOM 637 CB ARG A 754 13.107 -9.848 -4.774 1.00 0.00 C ATOM 638 CG ARG A 754 13.325 -10.504 -3.421 1.00 0.00 C ATOM 639 CD ARG A 754 12.632 -11.854 -3.340 1.00 0.00 C ATOM 640 NE ARG A 754 13.149 -12.794 -4.332 1.00 0.00 N ATOM 641 CZ ARG A 754 12.404 -13.723 -4.926 1.00 0.00 C ATOM 642 NH1 ARG A 754 11.115 -13.832 -4.632 1.00 0.00 N ATOM 643 NH2 ARG A 754 12.949 -14.542 -5.815 1.00 0.00 N ATOM 0 H ARG A 754 12.561 -6.980 -6.059 1.00 0.00 H new ATOM 0 HA ARG A 754 12.918 -7.882 -4.038 1.00 0.00 H new ATOM 0 HB2 ARG A 754 12.056 -9.941 -5.047 1.00 0.00 H new ATOM 0 HB3 ARG A 754 13.681 -10.389 -5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 754 14.393 -10.631 -3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 754 12.947 -9.852 -2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 754 12.765 -12.271 -2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 754 11.561 -11.721 -3.490 1.00 0.00 H new ATOM 0 HE ARG A 754 14.136 -12.735 -4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 754 10.693 -13.203 -3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 754 10.546 -14.545 -5.089 1.00 0.00 H new ATOM 0 HH21 ARG A 754 13.940 -14.460 -6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 754 12.378 -15.254 -6.270 1.00 0.00 H new ATOM 657 N THR A 755 15.652 -7.562 -5.526 1.00 0.00 N ATOM 658 CA THR A 755 17.069 -7.306 -5.450 1.00 0.00 C ATOM 659 C THR A 755 17.431 -5.992 -6.133 1.00 0.00 C ATOM 660 O THR A 755 18.496 -5.438 -5.857 1.00 0.00 O ATOM 661 CB THR A 755 17.909 -8.443 -6.054 1.00 0.00 C ATOM 662 OG1 THR A 755 17.852 -8.390 -7.484 1.00 0.00 O ATOM 663 CG2 THR A 755 17.421 -9.803 -5.575 1.00 0.00 C ATOM 0 H THR A 755 15.212 -7.217 -6.379 1.00 0.00 H new ATOM 0 HA THR A 755 17.305 -7.240 -4.388 1.00 0.00 H new ATOM 0 HB THR A 755 18.939 -8.310 -5.723 1.00 0.00 H new ATOM 0 HG1 THR A 755 18.391 -9.117 -7.860 1.00 0.00 H new ATOM 0 HG21 THR A 755 18.035 -10.587 -6.019 1.00 0.00 H new ATOM 0 HG22 THR A 755 17.496 -9.855 -4.489 1.00 0.00 H new ATOM 0 HG23 THR A 755 16.382 -9.943 -5.874 1.00 0.00 H new ATOM 671 N GLU A 756 16.566 -5.482 -7.034 1.00 0.00 N ATOM 672 CA GLU A 756 16.848 -4.192 -7.642 1.00 0.00 C ATOM 673 C GLU A 756 16.957 -3.280 -6.475 1.00 0.00 C ATOM 674 O GLU A 756 17.669 -2.277 -6.465 1.00 0.00 O ATOM 675 CB GLU A 756 15.748 -3.730 -8.574 1.00 0.00 C ATOM 676 CG GLU A 756 14.416 -3.657 -7.914 1.00 0.00 C ATOM 677 CD GLU A 756 13.323 -3.172 -8.849 1.00 0.00 C ATOM 678 OE1 GLU A 756 12.874 -3.969 -9.700 1.00 0.00 O ATOM 679 OE2 GLU A 756 12.921 -1.996 -8.738 1.00 0.00 O ATOM 0 H GLU A 756 15.703 -5.932 -7.339 1.00 0.00 H new ATOM 0 HA GLU A 756 17.743 -4.226 -8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 756 16.005 -2.748 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 756 15.689 -4.411 -9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 756 14.150 -4.643 -7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 756 14.477 -2.988 -7.056 1.00 0.00 H new ATOM 686 N ALA A 757 16.193 -3.700 -5.484 1.00 0.00 N ATOM 687 CA ALA A 757 16.156 -3.092 -4.194 1.00 0.00 C ATOM 688 C ALA A 757 17.069 -3.868 -3.295 1.00 0.00 C ATOM 689 O ALA A 757 16.729 -4.933 -2.786 1.00 0.00 O ATOM 690 CB ALA A 757 14.794 -3.077 -3.633 1.00 0.00 C ATOM 0 H ALA A 757 15.566 -4.500 -5.571 1.00 0.00 H new ATOM 0 HA ALA A 757 16.477 -2.054 -4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 757 14.810 -2.606 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 757 14.134 -2.515 -4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 757 14.428 -4.099 -3.539 1.00 0.00 H new ATOM 696 N PRO A 758 18.254 -3.343 -3.140 1.00 0.00 N ATOM 697 CA PRO A 758 19.287 -3.941 -2.318 1.00 0.00 C ATOM 698 C PRO A 758 18.875 -3.960 -0.866 1.00 0.00 C ATOM 699 O PRO A 758 19.044 -2.981 -0.138 1.00 0.00 O ATOM 700 CB PRO A 758 20.482 -3.021 -2.550 1.00 0.00 C ATOM 701 CG PRO A 758 19.868 -1.729 -2.978 1.00 0.00 C ATOM 702 CD PRO A 758 18.660 -2.084 -3.751 1.00 0.00 C ATOM 0 HA PRO A 758 19.497 -4.981 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 758 21.074 -2.900 -1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 758 21.149 -3.419 -3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 758 19.611 -1.115 -2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 758 20.563 -1.150 -3.586 1.00 0.00 H new ATOM 0 HD2 PRO A 758 17.885 -1.323 -3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 758 18.877 -2.200 -4.813 1.00 0.00 H new ATOM 710 N GLY A 759 18.334 -5.089 -0.456 1.00 0.00 N ATOM 711 CA GLY A 759 17.859 -5.227 0.892 1.00 0.00 C ATOM 712 C GLY A 759 16.363 -5.038 0.944 1.00 0.00 C ATOM 713 O GLY A 759 15.779 -5.043 2.015 1.00 0.00 O ATOM 0 H GLY A 759 18.216 -5.917 -1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 759 18.121 -6.212 1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 759 18.347 -4.493 1.533 1.00 0.00 H new ATOM 717 N TYR A 760 15.745 -4.897 -0.233 1.00 0.00 N ATOM 718 CA TYR A 760 14.310 -4.712 -0.347 1.00 0.00 C ATOM 719 C TYR A 760 13.548 -5.515 0.690 1.00 0.00 C ATOM 720 O TYR A 760 12.914 -4.957 1.572 1.00 0.00 O ATOM 721 CB TYR A 760 13.905 -5.171 -1.750 1.00 0.00 C ATOM 722 CG TYR A 760 12.459 -4.994 -2.110 1.00 0.00 C ATOM 723 CD1 TYR A 760 11.751 -3.917 -1.666 1.00 0.00 C ATOM 724 CD2 TYR A 760 11.808 -5.912 -2.897 1.00 0.00 C ATOM 725 CE1 TYR A 760 10.434 -3.748 -1.993 1.00 0.00 C ATOM 726 CE2 TYR A 760 10.483 -5.753 -3.237 1.00 0.00 C ATOM 727 CZ TYR A 760 9.802 -4.664 -2.782 1.00 0.00 C ATOM 728 OH TYR A 760 8.477 -4.492 -3.114 1.00 0.00 O ATOM 0 H TYR A 760 16.233 -4.909 -1.129 1.00 0.00 H new ATOM 0 HA TYR A 760 14.067 -3.663 -0.178 1.00 0.00 H new ATOM 0 HB2 TYR A 760 14.509 -4.627 -2.477 1.00 0.00 H new ATOM 0 HB3 TYR A 760 14.157 -6.226 -1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 760 12.240 -3.182 -1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 760 12.346 -6.776 -3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 760 9.893 -2.888 -1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 760 9.988 -6.485 -3.859 1.00 0.00 H new ATOM 0 HH TYR A 760 8.183 -5.234 -3.682 1.00 0.00 H new ATOM 738 N TYR A 761 13.636 -6.819 0.595 1.00 0.00 N ATOM 739 CA TYR A 761 12.932 -7.693 1.518 1.00 0.00 C ATOM 740 C TYR A 761 13.474 -7.611 2.943 1.00 0.00 C ATOM 741 O TYR A 761 12.816 -8.040 3.891 1.00 0.00 O ATOM 742 CB TYR A 761 12.942 -9.120 0.992 1.00 0.00 C ATOM 743 CG TYR A 761 11.799 -9.341 0.038 1.00 0.00 C ATOM 744 CD1 TYR A 761 11.627 -8.479 -1.027 1.00 0.00 C ATOM 745 CD2 TYR A 761 10.856 -10.340 0.240 1.00 0.00 C ATOM 746 CE1 TYR A 761 10.550 -8.599 -1.879 1.00 0.00 C ATOM 747 CE2 TYR A 761 9.779 -10.482 -0.617 1.00 0.00 C ATOM 748 CZ TYR A 761 9.629 -9.606 -1.675 1.00 0.00 C ATOM 749 OH TYR A 761 8.552 -9.731 -2.523 1.00 0.00 O ATOM 0 H TYR A 761 14.188 -7.305 -0.112 1.00 0.00 H new ATOM 0 HA TYR A 761 11.900 -7.348 1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 761 13.887 -9.321 0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 761 12.869 -9.820 1.824 1.00 0.00 H new ATOM 0 HD1 TYR A 761 12.351 -7.695 -1.196 1.00 0.00 H new ATOM 0 HD2 TYR A 761 10.965 -11.015 1.076 1.00 0.00 H new ATOM 0 HE1 TYR A 761 10.428 -7.909 -2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 761 9.060 -11.273 -0.460 1.00 0.00 H new ATOM 0 HH TYR A 761 8.000 -10.490 -2.241 1.00 0.00 H new ATOM 759 N GLU A 762 14.668 -7.064 3.087 1.00 0.00 N ATOM 760 CA GLU A 762 15.298 -6.922 4.396 1.00 0.00 C ATOM 761 C GLU A 762 14.678 -5.759 5.180 1.00 0.00 C ATOM 762 O GLU A 762 14.428 -5.864 6.381 1.00 0.00 O ATOM 763 CB GLU A 762 16.805 -6.708 4.221 1.00 0.00 C ATOM 764 CG GLU A 762 17.269 -5.326 4.633 1.00 0.00 C ATOM 765 CD GLU A 762 18.779 -5.211 4.719 1.00 0.00 C ATOM 766 OE1 GLU A 762 19.342 -5.563 5.776 1.00 0.00 O ATOM 767 OE2 GLU A 762 19.398 -4.767 3.728 1.00 0.00 O ATOM 0 H GLU A 762 15.227 -6.708 2.311 1.00 0.00 H new ATOM 0 HA GLU A 762 15.130 -7.836 4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 762 17.341 -7.453 4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 762 17.069 -6.876 3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 762 16.894 -4.594 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 762 16.835 -5.076 5.601 1.00 0.00 H new ATOM 774 N VAL A 763 14.441 -4.654 4.479 1.00 0.00 N ATOM 775 CA VAL A 763 13.862 -3.453 5.059 1.00 0.00 C ATOM 776 C VAL A 763 12.375 -3.550 5.017 1.00 0.00 C ATOM 777 O VAL A 763 11.668 -3.229 5.973 1.00 0.00 O ATOM 778 CB VAL A 763 14.293 -2.182 4.270 1.00 0.00 C ATOM 779 CG1 VAL A 763 14.905 -2.520 2.947 1.00 0.00 C ATOM 780 CG2 VAL A 763 13.138 -1.278 3.967 1.00 0.00 C ATOM 0 H VAL A 763 14.648 -4.569 3.484 1.00 0.00 H new ATOM 0 HA VAL A 763 14.217 -3.371 6.086 1.00 0.00 H new ATOM 0 HB VAL A 763 15.013 -1.688 4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 763 15.190 -1.602 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 763 15.789 -3.138 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 763 14.182 -3.066 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 763 13.493 -0.407 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 763 12.404 -1.814 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 763 12.675 -0.954 4.899 1.00 0.00 H new ATOM 790 N ILE A 764 11.924 -4.003 3.888 1.00 0.00 N ATOM 791 CA ILE A 764 10.534 -4.104 3.631 1.00 0.00 C ATOM 792 C ILE A 764 9.909 -5.367 4.183 1.00 0.00 C ATOM 793 O ILE A 764 9.898 -6.410 3.529 1.00 0.00 O ATOM 794 CB ILE A 764 10.283 -4.024 2.158 1.00 0.00 C ATOM 795 CG1 ILE A 764 11.047 -2.842 1.572 1.00 0.00 C ATOM 796 CG2 ILE A 764 8.814 -3.858 1.947 1.00 0.00 C ATOM 797 CD1 ILE A 764 10.312 -1.531 1.673 1.00 0.00 C ATOM 0 H ILE A 764 12.519 -4.313 3.120 1.00 0.00 H new ATOM 0 HA ILE A 764 10.063 -3.268 4.147 1.00 0.00 H new ATOM 0 HB ILE A 764 10.626 -4.930 1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 764 12.005 -2.751 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 764 11.264 -3.046 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 764 8.604 -3.797 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 764 8.287 -4.712 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 764 8.477 -2.944 2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 764 10.919 -0.739 1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 764 9.366 -1.602 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 764 10.118 -1.302 2.721 1.00 0.00 H new ATOM 809 N ARG A 765 9.408 -5.266 5.398 1.00 0.00 N ATOM 810 CA ARG A 765 8.734 -6.375 6.039 1.00 0.00 C ATOM 811 C ARG A 765 7.598 -6.888 5.150 1.00 0.00 C ATOM 812 O ARG A 765 7.340 -8.090 5.095 1.00 0.00 O ATOM 813 CB ARG A 765 8.204 -5.924 7.392 1.00 0.00 C ATOM 814 CG ARG A 765 7.669 -7.039 8.249 1.00 0.00 C ATOM 815 CD ARG A 765 8.640 -8.173 8.386 1.00 0.00 C ATOM 816 NE ARG A 765 10.029 -7.723 8.431 1.00 0.00 N ATOM 817 CZ ARG A 765 11.064 -8.482 8.084 1.00 0.00 C ATOM 818 NH1 ARG A 765 10.868 -9.725 7.662 1.00 0.00 N ATOM 819 NH2 ARG A 765 12.296 -7.998 8.157 1.00 0.00 N ATOM 0 H ARG A 765 9.456 -4.419 5.964 1.00 0.00 H new ATOM 0 HA ARG A 765 9.437 -7.194 6.190 1.00 0.00 H new ATOM 0 HB2 ARG A 765 9.004 -5.418 7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 765 7.413 -5.191 7.234 1.00 0.00 H new ATOM 0 HG2 ARG A 765 7.428 -6.649 9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 765 6.739 -7.411 7.818 1.00 0.00 H new ATOM 0 HD2 ARG A 765 8.414 -8.732 9.294 1.00 0.00 H new ATOM 0 HD3 ARG A 765 8.512 -8.859 7.549 1.00 0.00 H new ATOM 0 HE ARG A 765 10.216 -6.771 8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 765 9.921 -10.100 7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 765 11.664 -10.305 7.396 1.00 0.00 H new ATOM 0 HH21 ARG A 765 12.450 -7.043 8.480 1.00 0.00 H new ATOM 0 HH22 ARG A 765 13.090 -8.581 7.891 1.00 0.00 H new ATOM 833 N PHE A 766 6.918 -5.968 4.452 1.00 0.00 N ATOM 834 CA PHE A 766 5.820 -6.348 3.553 1.00 0.00 C ATOM 835 C PHE A 766 5.905 -5.641 2.201 1.00 0.00 C ATOM 836 O PHE A 766 5.181 -4.672 1.968 1.00 0.00 O ATOM 837 CB PHE A 766 4.457 -6.032 4.164 1.00 0.00 C ATOM 838 CG PHE A 766 4.078 -6.924 5.294 1.00 0.00 C ATOM 839 CD1 PHE A 766 4.789 -6.868 6.458 1.00 0.00 C ATOM 840 CD2 PHE A 766 3.009 -7.797 5.198 1.00 0.00 C ATOM 841 CE1 PHE A 766 4.459 -7.666 7.529 1.00 0.00 C ATOM 842 CE2 PHE A 766 2.670 -8.604 6.263 1.00 0.00 C ATOM 843 CZ PHE A 766 3.401 -8.535 7.432 1.00 0.00 C ATOM 0 H PHE A 766 7.106 -4.966 4.491 1.00 0.00 H new ATOM 0 HA PHE A 766 5.924 -7.423 3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 766 4.458 -5.000 4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 766 3.696 -6.104 3.387 1.00 0.00 H new ATOM 0 HD1 PHE A 766 5.623 -6.187 6.539 1.00 0.00 H new ATOM 0 HD2 PHE A 766 2.437 -7.847 4.283 1.00 0.00 H new ATOM 0 HE1 PHE A 766 5.031 -7.609 8.443 1.00 0.00 H new ATOM 0 HE2 PHE A 766 1.837 -9.287 6.183 1.00 0.00 H new ATOM 0 HZ PHE A 766 3.140 -9.165 8.270 1.00 0.00 H new ATOM 853 N PRO A 767 6.782 -6.092 1.288 1.00 0.00 N ATOM 854 CA PRO A 767 6.903 -5.476 -0.026 1.00 0.00 C ATOM 855 C PRO A 767 5.685 -5.693 -0.902 1.00 0.00 C ATOM 856 O PRO A 767 5.657 -6.582 -1.754 1.00 0.00 O ATOM 857 CB PRO A 767 8.155 -6.103 -0.628 1.00 0.00 C ATOM 858 CG PRO A 767 8.824 -6.815 0.471 1.00 0.00 C ATOM 859 CD PRO A 767 7.764 -7.162 1.478 1.00 0.00 C ATOM 0 HA PRO A 767 6.975 -4.391 0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 767 7.898 -6.788 -1.436 1.00 0.00 H new ATOM 0 HB3 PRO A 767 8.808 -5.340 -1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 767 9.317 -7.715 0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 767 9.595 -6.191 0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 767 7.333 -8.146 1.291 1.00 0.00 H new ATOM 0 HD3 PRO A 767 8.158 -7.175 2.494 1.00 0.00 H new ATOM 867 N MET A 768 4.675 -4.862 -0.676 1.00 0.00 N ATOM 868 CA MET A 768 3.445 -4.921 -1.438 1.00 0.00 C ATOM 869 C MET A 768 3.592 -4.118 -2.702 1.00 0.00 C ATOM 870 O MET A 768 4.360 -3.157 -2.767 1.00 0.00 O ATOM 871 CB MET A 768 2.282 -4.359 -0.627 1.00 0.00 C ATOM 872 CG MET A 768 0.905 -4.427 -1.301 1.00 0.00 C ATOM 873 SD MET A 768 0.610 -5.884 -2.295 1.00 0.00 S ATOM 874 CE MET A 768 0.154 -6.992 -0.997 1.00 0.00 C ATOM 0 H MET A 768 4.690 -4.134 0.038 1.00 0.00 H new ATOM 0 HA MET A 768 3.241 -5.964 -1.679 1.00 0.00 H new ATOM 0 HB2 MET A 768 2.230 -4.897 0.319 1.00 0.00 H new ATOM 0 HB3 MET A 768 2.499 -3.317 -0.390 1.00 0.00 H new ATOM 0 HG2 MET A 768 0.138 -4.373 -0.528 1.00 0.00 H new ATOM 0 HG3 MET A 768 0.784 -3.547 -1.932 1.00 0.00 H new ATOM 0 HE1 MET A 768 0.620 -7.963 -1.167 1.00 0.00 H new ATOM 0 HE2 MET A 768 0.490 -6.590 -0.041 1.00 0.00 H new ATOM 0 HE3 MET A 768 -0.930 -7.108 -0.981 1.00 0.00 H new ATOM 884 N ASP A 769 2.855 -4.521 -3.700 1.00 0.00 N ATOM 885 CA ASP A 769 2.866 -3.850 -4.963 1.00 0.00 C ATOM 886 C ASP A 769 1.465 -3.808 -5.520 1.00 0.00 C ATOM 887 O ASP A 769 0.555 -4.406 -4.963 1.00 0.00 O ATOM 888 CB ASP A 769 3.800 -4.558 -5.930 1.00 0.00 C ATOM 889 CG ASP A 769 5.257 -4.241 -5.662 1.00 0.00 C ATOM 890 OD1 ASP A 769 5.825 -4.821 -4.713 1.00 0.00 O ATOM 891 OD2 ASP A 769 5.830 -3.415 -6.402 1.00 0.00 O ATOM 0 H ASP A 769 2.230 -5.326 -3.657 1.00 0.00 H new ATOM 0 HA ASP A 769 3.228 -2.831 -4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 769 3.646 -5.635 -5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 769 3.550 -4.268 -6.951 1.00 0.00 H new ATOM 896 N LEU A 770 1.291 -3.068 -6.589 1.00 0.00 N ATOM 897 CA LEU A 770 0.000 -2.963 -7.231 1.00 0.00 C ATOM 898 C LEU A 770 -0.349 -4.237 -7.964 1.00 0.00 C ATOM 899 O LEU A 770 -1.519 -4.510 -8.202 1.00 0.00 O ATOM 900 CB LEU A 770 -0.017 -1.781 -8.160 1.00 0.00 C ATOM 901 CG LEU A 770 0.681 -0.571 -7.598 1.00 0.00 C ATOM 902 CD1 LEU A 770 1.399 0.141 -8.694 1.00 0.00 C ATOM 903 CD2 LEU A 770 -0.315 0.349 -6.951 1.00 0.00 C ATOM 0 H LEU A 770 2.031 -2.526 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.758 -2.812 -6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 770 0.457 -2.061 -9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -1.051 -1.522 -8.388 1.00 0.00 H new ATOM 0 HG LEU A 770 1.400 -0.890 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 770 1.905 1.017 -8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 770 2.134 -0.528 -9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 770 0.683 0.455 -9.454 1.00 0.00 H new ATOM 0 HD21 LEU A 770 0.202 1.220 -6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -1.047 0.672 -7.692 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -0.824 -0.176 -6.143 1.00 0.00 H new ATOM 915 N LYS A 771 0.662 -4.992 -8.375 1.00 0.00 N ATOM 916 CA LYS A 771 0.397 -6.267 -9.012 1.00 0.00 C ATOM 917 C LYS A 771 0.059 -7.267 -7.935 1.00 0.00 C ATOM 918 O LYS A 771 -0.798 -8.118 -8.120 1.00 0.00 O ATOM 919 CB LYS A 771 1.563 -6.783 -9.827 1.00 0.00 C ATOM 920 CG LYS A 771 1.103 -7.705 -10.934 1.00 0.00 C ATOM 921 CD LYS A 771 0.948 -6.943 -12.231 1.00 0.00 C ATOM 922 CE LYS A 771 0.105 -7.708 -13.231 1.00 0.00 C ATOM 923 NZ LYS A 771 0.677 -9.048 -13.535 1.00 0.00 N ATOM 0 H LYS A 771 1.648 -4.749 -8.281 1.00 0.00 H new ATOM 0 HA LYS A 771 -0.429 -6.126 -9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 771 2.108 -5.942 -10.256 1.00 0.00 H new ATOM 0 HB3 LYS A 771 2.257 -7.314 -9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 771 1.823 -8.513 -11.064 1.00 0.00 H new ATOM 0 HG3 LYS A 771 0.153 -8.165 -10.660 1.00 0.00 H new ATOM 0 HD2 LYS A 771 0.488 -5.975 -12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 771 1.931 -6.747 -12.658 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -0.905 -7.826 -12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 771 0.024 -7.131 -14.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 0.160 -9.474 -14.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 1.681 -8.948 -13.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 0.591 -9.660 -12.699 1.00 0.00 H new ATOM 937 N THR A 772 0.789 -7.185 -6.826 1.00 0.00 N ATOM 938 CA THR A 772 0.510 -8.036 -5.678 1.00 0.00 C ATOM 939 C THR A 772 -0.875 -7.665 -5.163 1.00 0.00 C ATOM 940 O THR A 772 -1.669 -8.524 -4.781 1.00 0.00 O ATOM 941 CB THR A 772 1.558 -7.891 -4.567 1.00 0.00 C ATOM 942 OG1 THR A 772 2.861 -8.202 -5.076 1.00 0.00 O ATOM 943 CG2 THR A 772 1.223 -8.820 -3.412 1.00 0.00 C ATOM 0 H THR A 772 1.571 -6.543 -6.700 1.00 0.00 H new ATOM 0 HA THR A 772 0.549 -9.080 -5.988 1.00 0.00 H new ATOM 0 HB THR A 772 1.552 -6.861 -4.211 1.00 0.00 H new ATOM 0 HG1 THR A 772 3.523 -8.105 -4.360 1.00 0.00 H new ATOM 0 HG21 THR A 772 1.972 -8.710 -2.628 1.00 0.00 H new ATOM 0 HG22 THR A 772 0.241 -8.566 -3.014 1.00 0.00 H new ATOM 0 HG23 THR A 772 1.215 -9.851 -3.765 1.00 0.00 H new ATOM 951 N MET A 773 -1.140 -6.356 -5.144 1.00 0.00 N ATOM 952 CA MET A 773 -2.454 -5.832 -4.789 1.00 0.00 C ATOM 953 C MET A 773 -3.450 -6.463 -5.749 1.00 0.00 C ATOM 954 O MET A 773 -4.356 -7.180 -5.350 1.00 0.00 O ATOM 955 CB MET A 773 -2.479 -4.311 -4.956 1.00 0.00 C ATOM 956 CG MET A 773 -2.176 -3.546 -3.691 1.00 0.00 C ATOM 957 SD MET A 773 -3.342 -3.904 -2.388 1.00 0.00 S ATOM 958 CE MET A 773 -4.793 -3.111 -3.048 1.00 0.00 C ATOM 0 H MET A 773 -0.453 -5.638 -5.373 1.00 0.00 H new ATOM 0 HA MET A 773 -2.696 -6.064 -3.752 1.00 0.00 H new ATOM 0 HB2 MET A 773 -1.755 -4.028 -5.721 1.00 0.00 H new ATOM 0 HB3 MET A 773 -3.462 -4.013 -5.321 1.00 0.00 H new ATOM 0 HG2 MET A 773 -1.169 -3.792 -3.353 1.00 0.00 H new ATOM 0 HG3 MET A 773 -2.189 -2.477 -3.903 1.00 0.00 H new ATOM 0 HE1 MET A 773 -5.047 -2.248 -2.433 1.00 0.00 H new ATOM 0 HE2 MET A 773 -4.596 -2.784 -4.069 1.00 0.00 H new ATOM 0 HE3 MET A 773 -5.625 -3.815 -3.046 1.00 0.00 H new ATOM 968 N SER A 774 -3.226 -6.212 -7.036 1.00 0.00 N ATOM 969 CA SER A 774 -4.067 -6.748 -8.101 1.00 0.00 C ATOM 970 C SER A 774 -4.097 -8.265 -8.065 1.00 0.00 C ATOM 971 O SER A 774 -5.026 -8.883 -8.553 1.00 0.00 O ATOM 972 CB SER A 774 -3.568 -6.276 -9.449 1.00 0.00 C ATOM 973 OG SER A 774 -4.478 -6.610 -10.483 1.00 0.00 O ATOM 0 H SER A 774 -2.456 -5.631 -7.369 1.00 0.00 H new ATOM 0 HA SER A 774 -5.081 -6.382 -7.944 1.00 0.00 H new ATOM 0 HB2 SER A 774 -3.421 -5.196 -9.427 1.00 0.00 H new ATOM 0 HB3 SER A 774 -2.597 -6.726 -9.657 1.00 0.00 H new ATOM 0 HG SER A 774 -4.001 -6.653 -11.338 1.00 0.00 H new ATOM 979 N GLU A 775 -3.055 -8.854 -7.510 1.00 0.00 N ATOM 980 CA GLU A 775 -2.967 -10.298 -7.378 1.00 0.00 C ATOM 981 C GLU A 775 -4.051 -10.745 -6.430 1.00 0.00 C ATOM 982 O GLU A 775 -4.825 -11.670 -6.698 1.00 0.00 O ATOM 983 CB GLU A 775 -1.595 -10.658 -6.824 1.00 0.00 C ATOM 984 CG GLU A 775 -0.791 -11.557 -7.728 1.00 0.00 C ATOM 985 CD GLU A 775 0.300 -12.309 -6.989 1.00 0.00 C ATOM 986 OE1 GLU A 775 -0.009 -13.349 -6.371 1.00 0.00 O ATOM 987 OE2 GLU A 775 1.464 -11.857 -7.032 1.00 0.00 O ATOM 0 H GLU A 775 -2.249 -8.350 -7.140 1.00 0.00 H new ATOM 0 HA GLU A 775 -3.097 -10.791 -8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 775 -1.033 -9.741 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 775 -1.720 -11.148 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 775 -1.458 -12.273 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 775 -0.341 -10.959 -8.521 1.00 0.00 H new ATOM 994 N ARG A 776 -4.100 -10.032 -5.327 1.00 0.00 N ATOM 995 CA ARG A 776 -5.072 -10.256 -4.295 1.00 0.00 C ATOM 996 C ARG A 776 -6.448 -9.905 -4.827 1.00 0.00 C ATOM 997 O ARG A 776 -7.434 -10.591 -4.590 1.00 0.00 O ATOM 998 CB ARG A 776 -4.676 -9.401 -3.108 1.00 0.00 C ATOM 999 CG ARG A 776 -3.564 -10.014 -2.312 1.00 0.00 C ATOM 1000 CD ARG A 776 -2.609 -8.970 -1.774 1.00 0.00 C ATOM 1001 NE ARG A 776 -1.379 -9.574 -1.268 1.00 0.00 N ATOM 1002 CZ ARG A 776 -1.183 -9.892 0.009 1.00 0.00 C ATOM 1003 NH1 ARG A 776 -2.136 -9.670 0.905 1.00 0.00 N ATOM 1004 NH2 ARG A 776 -0.034 -10.432 0.391 1.00 0.00 N ATOM 0 H ARG A 776 -3.453 -9.270 -5.124 1.00 0.00 H new ATOM 0 HA ARG A 776 -5.106 -11.299 -3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 776 -4.369 -8.416 -3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 776 -5.543 -9.254 -2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 776 -3.983 -10.584 -1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 776 -3.016 -10.719 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 776 -2.367 -8.257 -2.562 1.00 0.00 H new ATOM 0 HD3 ARG A 776 -3.095 -8.409 -0.975 1.00 0.00 H new ATOM 0 HE ARG A 776 -0.628 -9.763 -1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 776 -3.021 -9.255 0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 776 -1.983 -9.915 1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 776 0.701 -10.604 -0.294 1.00 0.00 H new ATOM 0 HH22 ARG A 776 0.115 -10.675 1.370 1.00 0.00 H new ATOM 1018 N LEU A 777 -6.466 -8.855 -5.608 1.00 0.00 N ATOM 1019 CA LEU A 777 -7.678 -8.353 -6.222 1.00 0.00 C ATOM 1020 C LEU A 777 -8.253 -9.379 -7.154 1.00 0.00 C ATOM 1021 O LEU A 777 -9.427 -9.730 -7.073 1.00 0.00 O ATOM 1022 CB LEU A 777 -7.323 -7.085 -6.986 1.00 0.00 C ATOM 1023 CG LEU A 777 -8.463 -6.216 -7.498 1.00 0.00 C ATOM 1024 CD1 LEU A 777 -9.719 -6.982 -7.787 1.00 0.00 C ATOM 1025 CD2 LEU A 777 -8.747 -5.134 -6.491 1.00 0.00 C ATOM 0 H LEU A 777 -5.632 -8.316 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 777 -8.427 -8.138 -5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 777 -6.698 -6.469 -6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 777 -6.711 -7.371 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 777 -8.139 -5.792 -8.448 1.00 0.00 H new ATOM 0 HD11 LEU A 777 -10.487 -6.298 -8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 777 -9.518 -7.736 -8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 777 -10.066 -7.469 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 777 -9.563 -4.507 -6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 777 -9.029 -5.587 -5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 777 -7.855 -4.524 -6.351 1.00 0.00 H new ATOM 1037 N LYS A 778 -7.411 -9.864 -8.029 1.00 0.00 N ATOM 1038 CA LYS A 778 -7.829 -10.826 -8.999 1.00 0.00 C ATOM 1039 C LYS A 778 -8.540 -11.987 -8.326 1.00 0.00 C ATOM 1040 O LYS A 778 -9.633 -12.384 -8.729 1.00 0.00 O ATOM 1041 CB LYS A 778 -6.648 -11.358 -9.776 1.00 0.00 C ATOM 1042 CG LYS A 778 -6.582 -10.824 -11.177 1.00 0.00 C ATOM 1043 CD LYS A 778 -5.810 -9.520 -11.247 1.00 0.00 C ATOM 1044 CE LYS A 778 -4.300 -9.752 -11.244 1.00 0.00 C ATOM 1045 NZ LYS A 778 -3.823 -10.304 -12.542 1.00 0.00 N ATOM 0 H LYS A 778 -6.427 -9.603 -8.085 1.00 0.00 H new ATOM 0 HA LYS A 778 -8.513 -10.326 -9.685 1.00 0.00 H new ATOM 0 HB2 LYS A 778 -5.728 -11.101 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 778 -6.702 -12.446 -9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 778 -6.109 -11.562 -11.825 1.00 0.00 H new ATOM 0 HG3 LYS A 778 -7.593 -10.669 -11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 778 -6.092 -8.979 -12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 778 -6.082 -8.891 -10.400 1.00 0.00 H new ATOM 0 HE2 LYS A 778 -3.788 -8.812 -11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 778 -4.039 -10.439 -10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 778 -2.785 -10.258 -12.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 778 -4.129 -11.294 -12.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 778 -4.222 -9.746 -13.324 1.00 0.00 H new ATOM 1059 N ASN A 779 -7.899 -12.530 -7.291 1.00 0.00 N ATOM 1060 CA ASN A 779 -8.465 -13.659 -6.562 1.00 0.00 C ATOM 1061 C ASN A 779 -9.618 -13.218 -5.655 1.00 0.00 C ATOM 1062 O ASN A 779 -10.210 -14.035 -4.951 1.00 0.00 O ATOM 1063 CB ASN A 779 -7.386 -14.373 -5.745 1.00 0.00 C ATOM 1064 CG ASN A 779 -7.205 -13.797 -4.357 1.00 0.00 C ATOM 1065 OD1 ASN A 779 -6.140 -13.033 -4.180 1.00 0.00 O flip ATOM 1066 ND2 ASN A 779 -8.000 -14.053 -3.453 1.00 0.00 N flip ATOM 0 H ASN A 779 -6.996 -12.208 -6.943 1.00 0.00 H new ATOM 0 HA ASN A 779 -8.865 -14.358 -7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 779 -7.643 -15.429 -5.662 1.00 0.00 H new ATOM 0 HB3 ASN A 779 -6.438 -14.317 -6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 779 -8.808 -14.648 -3.638 1.00 0.00 H new ATOM 0 HD22 ASN A 779 -7.851 -13.670 -2.519 1.00 0.00 H new ATOM 1073 N ARG A 780 -9.899 -11.915 -5.676 1.00 0.00 N ATOM 1074 CA ARG A 780 -10.985 -11.305 -4.895 1.00 0.00 C ATOM 1075 C ARG A 780 -10.603 -11.171 -3.431 1.00 0.00 C ATOM 1076 O ARG A 780 -11.438 -10.844 -2.587 1.00 0.00 O ATOM 1077 CB ARG A 780 -12.281 -12.105 -5.001 1.00 0.00 C ATOM 1078 CG ARG A 780 -13.022 -11.925 -6.302 1.00 0.00 C ATOM 1079 CD ARG A 780 -12.358 -12.694 -7.424 1.00 0.00 C ATOM 1080 NE ARG A 780 -13.139 -13.859 -7.833 1.00 0.00 N ATOM 1081 CZ ARG A 780 -12.605 -14.956 -8.361 1.00 0.00 C ATOM 1082 NH1 ARG A 780 -11.292 -15.041 -8.538 1.00 0.00 N ATOM 1083 NH2 ARG A 780 -13.382 -15.971 -8.711 1.00 0.00 N ATOM 0 H ARG A 780 -9.377 -11.244 -6.239 1.00 0.00 H new ATOM 0 HA ARG A 780 -11.150 -10.314 -5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 780 -12.052 -13.163 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 780 -12.938 -11.818 -4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 780 -14.052 -12.263 -6.186 1.00 0.00 H new ATOM 0 HG3 ARG A 780 -13.061 -10.866 -6.557 1.00 0.00 H new ATOM 0 HD2 ARG A 780 -12.217 -12.034 -8.280 1.00 0.00 H new ATOM 0 HD3 ARG A 780 -11.367 -13.017 -7.104 1.00 0.00 H new ATOM 0 HE ARG A 780 -14.151 -13.829 -7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 780 -10.690 -14.263 -8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 780 -10.886 -15.884 -8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 780 -14.391 -15.911 -8.575 1.00 0.00 H new ATOM 0 HH22 ARG A 780 -12.971 -16.812 -9.116 1.00 0.00 H new ATOM 1097 N TYR A 781 -9.340 -11.441 -3.149 1.00 0.00 N ATOM 1098 CA TYR A 781 -8.799 -11.362 -1.798 1.00 0.00 C ATOM 1099 C TYR A 781 -9.402 -10.210 -1.005 1.00 0.00 C ATOM 1100 O TYR A 781 -9.757 -10.381 0.159 1.00 0.00 O ATOM 1101 CB TYR A 781 -7.283 -11.194 -1.878 1.00 0.00 C ATOM 1102 CG TYR A 781 -6.591 -10.828 -0.593 1.00 0.00 C ATOM 1103 CD1 TYR A 781 -6.498 -9.507 -0.206 1.00 0.00 C ATOM 1104 CD2 TYR A 781 -5.993 -11.795 0.207 1.00 0.00 C ATOM 1105 CE1 TYR A 781 -5.834 -9.145 0.936 1.00 0.00 C ATOM 1106 CE2 TYR A 781 -5.329 -11.444 1.365 1.00 0.00 C ATOM 1107 CZ TYR A 781 -5.250 -10.115 1.726 1.00 0.00 C ATOM 1108 OH TYR A 781 -4.578 -9.756 2.872 1.00 0.00 O ATOM 0 H TYR A 781 -8.656 -11.722 -3.852 1.00 0.00 H new ATOM 0 HA TYR A 781 -9.055 -12.285 -1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 781 -6.853 -12.125 -2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 781 -7.061 -10.426 -2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 781 -6.958 -8.743 -0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 781 -6.049 -12.834 -0.081 1.00 0.00 H new ATOM 0 HE1 TYR A 781 -5.768 -8.104 1.217 1.00 0.00 H new ATOM 0 HE2 TYR A 781 -4.875 -12.204 1.984 1.00 0.00 H new ATOM 0 HH TYR A 781 -4.228 -10.559 3.311 1.00 0.00 H new ATOM 1118 N TYR A 782 -9.520 -9.041 -1.637 1.00 0.00 N ATOM 1119 CA TYR A 782 -10.049 -7.866 -0.961 1.00 0.00 C ATOM 1120 C TYR A 782 -11.499 -8.019 -0.581 1.00 0.00 C ATOM 1121 O TYR A 782 -12.400 -7.519 -1.255 1.00 0.00 O ATOM 1122 CB TYR A 782 -9.822 -6.621 -1.804 1.00 0.00 C ATOM 1123 CG TYR A 782 -8.401 -6.505 -2.166 1.00 0.00 C ATOM 1124 CD1 TYR A 782 -7.507 -6.079 -1.237 1.00 0.00 C ATOM 1125 CD2 TYR A 782 -7.941 -6.879 -3.398 1.00 0.00 C ATOM 1126 CE1 TYR A 782 -6.183 -6.021 -1.510 1.00 0.00 C ATOM 1127 CE2 TYR A 782 -6.605 -6.805 -3.688 1.00 0.00 C ATOM 1128 CZ TYR A 782 -5.732 -6.379 -2.733 1.00 0.00 C ATOM 1129 OH TYR A 782 -4.399 -6.339 -2.992 1.00 0.00 O ATOM 0 H TYR A 782 -9.257 -8.888 -2.610 1.00 0.00 H new ATOM 0 HA TYR A 782 -9.501 -7.756 -0.025 1.00 0.00 H new ATOM 0 HB2 TYR A 782 -10.432 -6.668 -2.706 1.00 0.00 H new ATOM 0 HB3 TYR A 782 -10.137 -5.736 -1.251 1.00 0.00 H new ATOM 0 HD1 TYR A 782 -7.860 -5.781 -0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 782 -8.635 -7.234 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 782 -5.488 -5.689 -0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 782 -6.245 -7.083 -4.668 1.00 0.00 H new ATOM 0 HH TYR A 782 -3.964 -5.714 -2.374 1.00 0.00 H new ATOM 1139 N VAL A 783 -11.707 -8.723 0.516 1.00 0.00 N ATOM 1140 CA VAL A 783 -13.026 -8.916 1.053 1.00 0.00 C ATOM 1141 C VAL A 783 -13.326 -7.755 1.958 1.00 0.00 C ATOM 1142 O VAL A 783 -14.279 -7.758 2.739 1.00 0.00 O ATOM 1143 CB VAL A 783 -13.132 -10.221 1.836 1.00 0.00 C ATOM 1144 CG1 VAL A 783 -13.042 -11.381 0.884 1.00 0.00 C ATOM 1145 CG2 VAL A 783 -12.047 -10.285 2.882 1.00 0.00 C ATOM 0 H VAL A 783 -10.965 -9.172 1.052 1.00 0.00 H new ATOM 0 HA VAL A 783 -13.742 -8.973 0.233 1.00 0.00 H new ATOM 0 HB VAL A 783 -14.093 -10.268 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 783 -13.117 -12.315 1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 783 -13.856 -11.323 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 783 -12.087 -11.348 0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 783 -12.130 -11.220 3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 783 -11.072 -10.236 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 783 -12.154 -9.445 3.569 1.00 0.00 H new ATOM 1155 N SER A 784 -12.473 -6.756 1.823 1.00 0.00 N ATOM 1156 CA SER A 784 -12.548 -5.561 2.617 1.00 0.00 C ATOM 1157 C SER A 784 -11.633 -4.491 2.031 1.00 0.00 C ATOM 1158 O SER A 784 -10.457 -4.752 1.786 1.00 0.00 O ATOM 1159 CB SER A 784 -12.124 -5.901 4.029 1.00 0.00 C ATOM 1160 OG SER A 784 -13.243 -6.191 4.849 1.00 0.00 O ATOM 0 H SER A 784 -11.705 -6.759 1.151 1.00 0.00 H new ATOM 0 HA SER A 784 -13.567 -5.173 2.621 1.00 0.00 H new ATOM 0 HB2 SER A 784 -11.451 -6.759 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 784 -11.566 -5.067 4.454 1.00 0.00 H new ATOM 0 HG SER A 784 -13.862 -6.775 4.363 1.00 0.00 H new ATOM 1166 N LYS A 785 -12.170 -3.294 1.786 1.00 0.00 N ATOM 1167 CA LYS A 785 -11.358 -2.211 1.234 1.00 0.00 C ATOM 1168 C LYS A 785 -10.145 -1.980 2.103 1.00 0.00 C ATOM 1169 O LYS A 785 -9.213 -1.313 1.688 1.00 0.00 O ATOM 1170 CB LYS A 785 -12.136 -0.902 1.139 1.00 0.00 C ATOM 1171 CG LYS A 785 -12.638 -0.387 2.479 1.00 0.00 C ATOM 1172 CD LYS A 785 -14.114 -0.028 2.428 1.00 0.00 C ATOM 1173 CE LYS A 785 -14.985 -1.269 2.382 1.00 0.00 C ATOM 1174 NZ LYS A 785 -14.915 -2.044 3.652 1.00 0.00 N ATOM 0 H LYS A 785 -13.146 -3.054 1.958 1.00 0.00 H new ATOM 0 HA LYS A 785 -11.063 -2.515 0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 785 -11.498 -0.144 0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 785 -12.987 -1.044 0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 785 -12.475 -1.146 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 785 -12.060 0.490 2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 785 -14.375 0.569 3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 785 -14.310 0.588 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 785 -16.018 -0.980 2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 785 -14.671 -1.902 1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 785 -14.527 -2.990 3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 785 -14.300 -1.548 4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 785 -15.869 -2.137 4.055 1.00 0.00 H new ATOM 1188 N LYS A 786 -10.174 -2.520 3.319 1.00 0.00 N ATOM 1189 CA LYS A 786 -9.061 -2.354 4.236 1.00 0.00 C ATOM 1190 C LYS A 786 -7.902 -3.244 3.830 1.00 0.00 C ATOM 1191 O LYS A 786 -6.747 -2.897 4.035 1.00 0.00 O ATOM 1192 CB LYS A 786 -9.488 -2.637 5.677 1.00 0.00 C ATOM 1193 CG LYS A 786 -10.710 -1.846 6.118 1.00 0.00 C ATOM 1194 CD LYS A 786 -10.993 -2.026 7.603 1.00 0.00 C ATOM 1195 CE LYS A 786 -11.792 -3.291 7.878 1.00 0.00 C ATOM 1196 NZ LYS A 786 -11.082 -4.516 7.423 1.00 0.00 N ATOM 0 H LYS A 786 -10.951 -3.071 3.685 1.00 0.00 H new ATOM 0 HA LYS A 786 -8.731 -1.316 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 786 -9.698 -3.701 5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 786 -8.657 -2.408 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 786 -10.556 -0.789 5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 786 -11.578 -2.166 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 786 -10.051 -2.065 8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 786 -11.542 -1.161 7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 786 -11.993 -3.366 8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 786 -12.757 -3.225 7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 -11.473 -5.346 7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 -11.207 -4.629 6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 -10.069 -4.431 7.641 1.00 0.00 H new ATOM 1210 N LEU A 787 -8.210 -4.415 3.298 1.00 0.00 N ATOM 1211 CA LEU A 787 -7.181 -5.298 2.794 1.00 0.00 C ATOM 1212 C LEU A 787 -6.473 -4.557 1.720 1.00 0.00 C ATOM 1213 O LEU A 787 -5.250 -4.475 1.634 1.00 0.00 O ATOM 1214 CB LEU A 787 -7.825 -6.509 2.154 1.00 0.00 C ATOM 1215 CG LEU A 787 -8.177 -7.603 3.103 1.00 0.00 C ATOM 1216 CD1 LEU A 787 -8.898 -8.704 2.362 1.00 0.00 C ATOM 1217 CD2 LEU A 787 -6.920 -8.075 3.795 1.00 0.00 C ATOM 0 H LEU A 787 -9.161 -4.772 3.206 1.00 0.00 H new ATOM 0 HA LEU A 787 -6.515 -5.610 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -8.730 -6.191 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -7.148 -6.906 1.398 1.00 0.00 H new ATOM 0 HG LEU A 787 -8.859 -7.248 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -9.155 -9.503 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -9.809 -8.306 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -8.252 -9.099 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -7.167 -8.876 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -6.213 -8.445 3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -6.471 -7.245 4.341 1.00 0.00 H new ATOM 1229 N PHE A 788 -7.333 -4.026 0.908 1.00 0.00 N ATOM 1230 CA PHE A 788 -6.997 -3.243 -0.219 1.00 0.00 C ATOM 1231 C PHE A 788 -6.282 -1.989 0.179 1.00 0.00 C ATOM 1232 O PHE A 788 -5.318 -1.569 -0.458 1.00 0.00 O ATOM 1233 CB PHE A 788 -8.271 -2.935 -0.913 1.00 0.00 C ATOM 1234 CG PHE A 788 -7.962 -2.527 -2.262 1.00 0.00 C ATOM 1235 CD1 PHE A 788 -7.655 -1.250 -2.429 1.00 0.00 C ATOM 1236 CD2 PHE A 788 -7.928 -3.387 -3.326 1.00 0.00 C ATOM 1237 CE1 PHE A 788 -7.314 -0.761 -3.630 1.00 0.00 C ATOM 1238 CE2 PHE A 788 -7.584 -2.910 -4.562 1.00 0.00 C ATOM 1239 CZ PHE A 788 -7.278 -1.588 -4.712 1.00 0.00 C ATOM 0 H PHE A 788 -8.340 -4.139 1.028 1.00 0.00 H new ATOM 0 HA PHE A 788 -6.315 -3.784 -0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 788 -8.921 -3.810 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 788 -8.807 -2.143 -0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 788 -7.680 -0.586 -1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 788 -8.170 -4.431 -3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 788 -7.069 0.285 -3.739 1.00 0.00 H new ATOM 0 HE2 PHE A 788 -7.555 -3.575 -5.413 1.00 0.00 H new ATOM 0 HZ PHE A 788 -7.009 -1.200 -5.683 1.00 0.00 H new ATOM 1249 N MET A 789 -6.756 -1.402 1.237 1.00 0.00 N ATOM 1250 CA MET A 789 -6.169 -0.203 1.735 1.00 0.00 C ATOM 1251 C MET A 789 -4.786 -0.513 2.242 1.00 0.00 C ATOM 1252 O MET A 789 -3.804 -0.079 1.680 1.00 0.00 O ATOM 1253 CB MET A 789 -7.029 0.350 2.834 1.00 0.00 C ATOM 1254 CG MET A 789 -8.126 1.232 2.298 1.00 0.00 C ATOM 1255 SD MET A 789 -8.220 2.767 3.196 1.00 0.00 S ATOM 1256 CE MET A 789 -7.630 3.844 1.914 1.00 0.00 C ATOM 0 H MET A 789 -7.555 -1.741 1.773 1.00 0.00 H new ATOM 0 HA MET A 789 -6.096 0.543 0.944 1.00 0.00 H new ATOM 0 HB2 MET A 789 -7.468 -0.472 3.400 1.00 0.00 H new ATOM 0 HB3 MET A 789 -6.411 0.920 3.527 1.00 0.00 H new ATOM 0 HG2 MET A 789 -7.948 1.436 1.242 1.00 0.00 H new ATOM 0 HG3 MET A 789 -9.081 0.710 2.365 1.00 0.00 H new ATOM 0 HE1 MET A 789 -6.969 4.595 2.346 1.00 0.00 H new ATOM 0 HE2 MET A 789 -7.082 3.262 1.173 1.00 0.00 H new ATOM 0 HE3 MET A 789 -8.476 4.337 1.435 1.00 0.00 H new ATOM 1266 N ALA A 790 -4.745 -1.336 3.269 1.00 0.00 N ATOM 1267 CA ALA A 790 -3.507 -1.754 3.905 1.00 0.00 C ATOM 1268 C ALA A 790 -2.441 -2.182 2.913 1.00 0.00 C ATOM 1269 O ALA A 790 -1.306 -1.739 3.000 1.00 0.00 O ATOM 1270 CB ALA A 790 -3.789 -2.922 4.822 1.00 0.00 C ATOM 0 H ALA A 790 -5.580 -1.740 3.693 1.00 0.00 H new ATOM 0 HA ALA A 790 -3.128 -0.890 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 790 -2.863 -3.240 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 790 -4.508 -2.621 5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 790 -4.199 -3.749 4.242 1.00 0.00 H new ATOM 1276 N ASP A 791 -2.813 -3.060 1.987 1.00 0.00 N ATOM 1277 CA ASP A 791 -1.868 -3.589 1.010 1.00 0.00 C ATOM 1278 C ASP A 791 -1.421 -2.516 0.017 1.00 0.00 C ATOM 1279 O ASP A 791 -0.233 -2.299 -0.169 1.00 0.00 O ATOM 1280 CB ASP A 791 -2.457 -4.803 0.301 1.00 0.00 C ATOM 1281 CG ASP A 791 -2.534 -6.021 1.201 1.00 0.00 C ATOM 1282 OD1 ASP A 791 -1.476 -6.452 1.706 1.00 0.00 O ATOM 1283 OD2 ASP A 791 -3.651 -6.542 1.404 1.00 0.00 O ATOM 0 H ASP A 791 -3.763 -3.420 1.893 1.00 0.00 H new ATOM 0 HA ASP A 791 -0.975 -3.912 1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 791 -3.456 -4.559 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 791 -1.850 -5.039 -0.573 1.00 0.00 H new ATOM 1288 N LEU A 792 -2.339 -1.844 -0.649 1.00 0.00 N ATOM 1289 CA LEU A 792 -1.913 -0.785 -1.551 1.00 0.00 C ATOM 1290 C LEU A 792 -1.110 0.202 -0.740 1.00 0.00 C ATOM 1291 O LEU A 792 -0.124 0.774 -1.204 1.00 0.00 O ATOM 1292 CB LEU A 792 -3.100 -0.061 -2.178 1.00 0.00 C ATOM 1293 CG LEU A 792 -3.180 -0.106 -3.679 1.00 0.00 C ATOM 1294 CD1 LEU A 792 -4.261 0.837 -4.145 1.00 0.00 C ATOM 1295 CD2 LEU A 792 -1.841 0.237 -4.285 1.00 0.00 C ATOM 0 H LEU A 792 -3.345 -2.000 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 792 -1.328 -1.220 -2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 792 -4.017 -0.488 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 792 -3.070 0.983 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 792 -3.435 -1.113 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 792 -4.324 0.809 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 792 -5.217 0.534 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 792 -4.024 1.850 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 792 -1.913 0.201 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 792 -1.547 1.240 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 792 -1.094 -0.481 -3.947 1.00 0.00 H new ATOM 1307 N GLN A 793 -1.545 0.361 0.496 1.00 0.00 N ATOM 1308 CA GLN A 793 -0.897 1.249 1.427 1.00 0.00 C ATOM 1309 C GLN A 793 0.404 0.614 1.853 1.00 0.00 C ATOM 1310 O GLN A 793 1.320 1.268 2.339 1.00 0.00 O ATOM 1311 CB GLN A 793 -1.800 1.511 2.625 1.00 0.00 C ATOM 1312 CG GLN A 793 -2.948 2.446 2.302 1.00 0.00 C ATOM 1313 CD GLN A 793 -3.939 2.578 3.446 1.00 0.00 C ATOM 1314 OE1 GLN A 793 -5.208 2.838 3.128 1.00 0.00 O flip ATOM 1315 NE2 GLN A 793 -3.568 2.449 4.613 1.00 0.00 N flip ATOM 0 H GLN A 793 -2.357 -0.124 0.877 1.00 0.00 H new ATOM 0 HA GLN A 793 -0.696 2.212 0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 793 -2.200 0.564 2.987 1.00 0.00 H new ATOM 0 HB3 GLN A 793 -1.207 1.937 3.435 1.00 0.00 H new ATOM 0 HG2 GLN A 793 -2.551 3.431 2.056 1.00 0.00 H new ATOM 0 HG3 GLN A 793 -3.469 2.082 1.416 1.00 0.00 H new ATOM 0 HE21 GLN A 793 -2.589 2.250 4.818 1.00 0.00 H new ATOM 0 HE22 GLN A 793 -4.240 2.541 5.375 1.00 0.00 H new ATOM 1324 N ARG A 794 0.440 -0.690 1.656 1.00 0.00 N ATOM 1325 CA ARG A 794 1.593 -1.509 1.959 1.00 0.00 C ATOM 1326 C ARG A 794 2.668 -1.266 0.893 1.00 0.00 C ATOM 1327 O ARG A 794 3.856 -1.455 1.147 1.00 0.00 O ATOM 1328 CB ARG A 794 1.158 -2.982 2.022 1.00 0.00 C ATOM 1329 CG ARG A 794 2.178 -3.915 2.613 1.00 0.00 C ATOM 1330 CD ARG A 794 2.162 -3.812 4.115 1.00 0.00 C ATOM 1331 NE ARG A 794 1.649 -5.024 4.749 1.00 0.00 N ATOM 1332 CZ ARG A 794 0.879 -5.018 5.833 1.00 0.00 C ATOM 1333 NH1 ARG A 794 0.535 -3.871 6.401 1.00 0.00 N ATOM 1334 NH2 ARG A 794 0.450 -6.162 6.350 1.00 0.00 N ATOM 0 H ARG A 794 -0.346 -1.217 1.274 1.00 0.00 H new ATOM 0 HA ARG A 794 2.018 -1.247 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 794 0.241 -3.051 2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 794 0.919 -3.319 1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 794 1.965 -4.940 2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 794 3.170 -3.669 2.234 1.00 0.00 H new ATOM 0 HD2 ARG A 794 3.172 -3.617 4.474 1.00 0.00 H new ATOM 0 HD3 ARG A 794 1.548 -2.962 4.412 1.00 0.00 H new ATOM 0 HE ARG A 794 1.895 -5.924 4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 794 0.861 -2.989 6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 794 -0.056 -3.871 7.232 1.00 0.00 H new ATOM 0 HH21 ARG A 794 0.711 -7.047 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 794 -0.141 -6.156 7.182 1.00 0.00 H new ATOM 1348 N VAL A 795 2.238 -0.822 -0.304 1.00 0.00 N ATOM 1349 CA VAL A 795 3.179 -0.515 -1.390 1.00 0.00 C ATOM 1350 C VAL A 795 3.724 0.898 -1.210 1.00 0.00 C ATOM 1351 O VAL A 795 4.914 1.150 -1.397 1.00 0.00 O ATOM 1352 CB VAL A 795 2.558 -0.661 -2.810 1.00 0.00 C ATOM 1353 CG1 VAL A 795 1.339 -1.542 -2.768 1.00 0.00 C ATOM 1354 CG2 VAL A 795 2.219 0.678 -3.441 1.00 0.00 C ATOM 0 H VAL A 795 1.257 -0.670 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 795 3.982 -1.249 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 795 3.317 -1.128 -3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 795 0.920 -1.631 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 795 1.617 -2.530 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 795 0.596 -1.104 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 795 1.789 0.516 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 795 1.499 1.204 -2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 795 3.125 1.277 -3.533 1.00 0.00 H new ATOM 1364 N PHE A 796 2.835 1.821 -0.853 1.00 0.00 N ATOM 1365 CA PHE A 796 3.231 3.206 -0.619 1.00 0.00 C ATOM 1366 C PHE A 796 4.111 3.267 0.620 1.00 0.00 C ATOM 1367 O PHE A 796 5.166 3.896 0.618 1.00 0.00 O ATOM 1368 CB PHE A 796 2.025 4.111 -0.398 1.00 0.00 C ATOM 1369 CG PHE A 796 0.805 3.752 -1.198 1.00 0.00 C ATOM 1370 CD1 PHE A 796 0.878 3.442 -2.541 1.00 0.00 C ATOM 1371 CD2 PHE A 796 -0.421 3.714 -0.591 1.00 0.00 C ATOM 1372 CE1 PHE A 796 -0.248 3.100 -3.252 1.00 0.00 C ATOM 1373 CE2 PHE A 796 -1.542 3.371 -1.300 1.00 0.00 C ATOM 1374 CZ PHE A 796 -1.449 3.064 -2.635 1.00 0.00 C ATOM 0 H PHE A 796 1.841 1.636 -0.720 1.00 0.00 H new ATOM 0 HA PHE A 796 3.766 3.554 -1.502 1.00 0.00 H new ATOM 0 HB2 PHE A 796 1.765 4.092 0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 796 2.310 5.135 -0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 796 1.835 3.468 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 796 -0.506 3.957 0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 796 -0.172 2.860 -4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 796 -2.502 3.342 -0.807 1.00 0.00 H new ATOM 0 HZ PHE A 796 -2.335 2.794 -3.191 1.00 0.00 H new ATOM 1384 N THR A 797 3.654 2.598 1.683 1.00 0.00 N ATOM 1385 CA THR A 797 4.382 2.565 2.946 1.00 0.00 C ATOM 1386 C THR A 797 5.753 1.933 2.759 1.00 0.00 C ATOM 1387 O THR A 797 6.741 2.434 3.284 1.00 0.00 O ATOM 1388 CB THR A 797 3.613 1.792 4.048 1.00 0.00 C ATOM 1389 OG1 THR A 797 4.028 2.243 5.342 1.00 0.00 O ATOM 1390 CG2 THR A 797 3.851 0.295 3.938 1.00 0.00 C ATOM 0 H THR A 797 2.780 2.072 1.689 1.00 0.00 H new ATOM 0 HA THR A 797 4.491 3.600 3.269 1.00 0.00 H new ATOM 0 HB THR A 797 2.549 1.985 3.912 1.00 0.00 H new ATOM 0 HG1 THR A 797 4.977 2.036 5.472 1.00 0.00 H new ATOM 0 HG21 THR A 797 3.299 -0.220 4.724 1.00 0.00 H new ATOM 0 HG22 THR A 797 3.510 -0.057 2.964 1.00 0.00 H new ATOM 0 HG23 THR A 797 4.915 0.087 4.046 1.00 0.00 H new ATOM 1398 N ASN A 798 5.810 0.819 2.023 1.00 0.00 N ATOM 1399 CA ASN A 798 7.075 0.153 1.778 1.00 0.00 C ATOM 1400 C ASN A 798 7.946 1.054 0.938 1.00 0.00 C ATOM 1401 O ASN A 798 9.171 1.035 1.047 1.00 0.00 O ATOM 1402 CB ASN A 798 6.877 -1.197 1.091 1.00 0.00 C ATOM 1403 CG ASN A 798 7.004 -1.129 -0.421 1.00 0.00 C ATOM 1404 OD1 ASN A 798 6.012 -1.049 -1.134 1.00 0.00 O ATOM 1405 ND2 ASN A 798 8.234 -1.167 -0.918 1.00 0.00 N ATOM 0 H ASN A 798 5.000 0.370 1.595 1.00 0.00 H new ATOM 0 HA ASN A 798 7.560 -0.044 2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 798 7.610 -1.904 1.478 1.00 0.00 H new ATOM 0 HB3 ASN A 798 5.892 -1.586 1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 798 8.378 -1.129 -1.927 1.00 0.00 H new ATOM 0 HD22 ASN A 798 9.036 -1.234 -0.291 1.00 0.00 H new ATOM 1412 N CYS A 799 7.306 1.863 0.102 1.00 0.00 N ATOM 1413 CA CYS A 799 8.044 2.775 -0.727 1.00 0.00 C ATOM 1414 C CYS A 799 8.559 3.921 0.124 1.00 0.00 C ATOM 1415 O CYS A 799 9.613 4.502 -0.127 1.00 0.00 O ATOM 1416 CB CYS A 799 7.213 3.281 -1.877 1.00 0.00 C ATOM 1417 SG CYS A 799 8.121 4.429 -2.923 1.00 0.00 S ATOM 0 H CYS A 799 6.293 1.898 -0.011 1.00 0.00 H new ATOM 0 HA CYS A 799 8.890 2.243 -1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 799 6.875 2.436 -2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 799 6.322 3.774 -1.489 1.00 0.00 H new ATOM 0 HG CYS A 799 7.769 4.258 -4.163 1.00 0.00 H new ATOM 1423 N LYS A 800 7.771 4.222 1.135 1.00 0.00 N ATOM 1424 CA LYS A 800 8.051 5.262 2.107 1.00 0.00 C ATOM 1425 C LYS A 800 8.992 4.737 3.197 1.00 0.00 C ATOM 1426 O LYS A 800 9.640 5.497 3.915 1.00 0.00 O ATOM 1427 CB LYS A 800 6.730 5.645 2.734 1.00 0.00 C ATOM 1428 CG LYS A 800 5.884 6.589 1.924 1.00 0.00 C ATOM 1429 CD LYS A 800 4.416 6.368 2.230 1.00 0.00 C ATOM 1430 CE LYS A 800 3.552 7.294 1.425 1.00 0.00 C ATOM 1431 NZ LYS A 800 2.137 7.290 1.887 1.00 0.00 N ATOM 0 H LYS A 800 6.891 3.736 1.310 1.00 0.00 H new ATOM 0 HA LYS A 800 8.530 6.114 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 800 6.157 4.736 2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 800 6.926 6.100 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 800 6.159 7.620 2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 800 6.069 6.434 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 800 4.148 5.334 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 800 4.235 6.528 3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 800 3.950 8.307 1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 800 3.590 7.003 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.565 7.891 1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 1.768 6.318 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 2.088 7.658 2.859 1.00 0.00 H new ATOM 1445 N GLU A 801 9.026 3.417 3.306 1.00 0.00 N ATOM 1446 CA GLU A 801 9.808 2.710 4.319 1.00 0.00 C ATOM 1447 C GLU A 801 11.291 2.655 4.013 1.00 0.00 C ATOM 1448 O GLU A 801 12.132 3.158 4.757 1.00 0.00 O ATOM 1449 CB GLU A 801 9.325 1.263 4.338 1.00 0.00 C ATOM 1450 CG GLU A 801 8.780 0.780 5.670 1.00 0.00 C ATOM 1451 CD GLU A 801 7.873 1.795 6.338 1.00 0.00 C ATOM 1452 OE1 GLU A 801 6.665 1.812 6.019 1.00 0.00 O ATOM 1453 OE2 GLU A 801 8.370 2.570 7.182 1.00 0.00 O ATOM 0 H GLU A 801 8.506 2.795 2.687 1.00 0.00 H new ATOM 0 HA GLU A 801 9.672 3.244 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 801 8.548 1.146 3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 801 10.153 0.617 4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 801 8.228 -0.148 5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 801 9.612 0.550 6.336 1.00 0.00 H new ATOM 1460 N TYR A 802 11.570 2.030 2.894 1.00 0.00 N ATOM 1461 CA TYR A 802 12.914 1.785 2.430 1.00 0.00 C ATOM 1462 C TYR A 802 13.508 2.963 1.697 1.00 0.00 C ATOM 1463 O TYR A 802 14.546 3.504 2.081 1.00 0.00 O ATOM 1464 CB TYR A 802 12.819 0.597 1.494 1.00 0.00 C ATOM 1465 CG TYR A 802 14.079 0.186 0.806 1.00 0.00 C ATOM 1466 CD1 TYR A 802 15.337 0.638 1.180 1.00 0.00 C ATOM 1467 CD2 TYR A 802 13.977 -0.663 -0.255 1.00 0.00 C ATOM 1468 CE1 TYR A 802 16.460 0.231 0.494 1.00 0.00 C ATOM 1469 CE2 TYR A 802 15.077 -1.070 -0.948 1.00 0.00 C ATOM 1470 CZ TYR A 802 16.326 -0.625 -0.575 1.00 0.00 C ATOM 1471 OH TYR A 802 17.437 -1.034 -1.270 1.00 0.00 O ATOM 0 H TYR A 802 10.851 1.669 2.266 1.00 0.00 H new ATOM 0 HA TYR A 802 13.569 1.604 3.282 1.00 0.00 H new ATOM 0 HB2 TYR A 802 12.447 -0.256 2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 802 12.073 0.822 0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 802 15.436 1.315 2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 802 13.003 -1.021 -0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 802 17.437 0.581 0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 802 14.970 -1.740 -1.788 1.00 0.00 H new ATOM 0 HH TYR A 802 17.986 -1.611 -0.699 1.00 0.00 H new ATOM 1481 N ASN A 803 12.835 3.348 0.644 1.00 0.00 N ATOM 1482 CA ASN A 803 13.295 4.442 -0.188 1.00 0.00 C ATOM 1483 C ASN A 803 13.258 5.757 0.562 1.00 0.00 C ATOM 1484 O ASN A 803 12.595 5.874 1.588 1.00 0.00 O ATOM 1485 CB ASN A 803 12.446 4.534 -1.455 1.00 0.00 C ATOM 1486 CG ASN A 803 12.849 3.498 -2.484 1.00 0.00 C ATOM 1487 OD1 ASN A 803 13.675 3.763 -3.357 1.00 0.00 O ATOM 1488 ND2 ASN A 803 12.275 2.307 -2.380 1.00 0.00 N ATOM 0 H ASN A 803 11.961 2.921 0.337 1.00 0.00 H new ATOM 0 HA ASN A 803 14.330 4.242 -0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 803 11.395 4.400 -1.198 1.00 0.00 H new ATOM 0 HB3 ASN A 803 12.544 5.530 -1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 803 12.513 1.567 -3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 803 11.595 2.131 -1.640 1.00 0.00 H new ATOM 1495 N PRO A 804 14.077 6.716 0.107 1.00 0.00 N ATOM 1496 CA PRO A 804 14.120 8.075 0.653 1.00 0.00 C ATOM 1497 C PRO A 804 13.189 9.019 -0.123 1.00 0.00 C ATOM 1498 O PRO A 804 13.064 8.892 -1.340 1.00 0.00 O ATOM 1499 CB PRO A 804 15.573 8.458 0.408 1.00 0.00 C ATOM 1500 CG PRO A 804 15.906 7.791 -0.885 1.00 0.00 C ATOM 1501 CD PRO A 804 15.121 6.508 -0.916 1.00 0.00 C ATOM 0 HA PRO A 804 13.801 8.137 1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 804 15.696 9.539 0.343 1.00 0.00 H new ATOM 0 HB3 PRO A 804 16.219 8.111 1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 804 15.643 8.428 -1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 804 16.976 7.594 -0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 804 14.688 6.326 -1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 804 15.748 5.648 -0.680 1.00 0.00 H new ATOM 1509 N PRO A 805 12.511 9.974 0.560 1.00 0.00 N ATOM 1510 CA PRO A 805 11.604 10.929 -0.100 1.00 0.00 C ATOM 1511 C PRO A 805 12.300 11.732 -1.198 1.00 0.00 C ATOM 1512 O PRO A 805 11.669 12.531 -1.889 1.00 0.00 O ATOM 1513 CB PRO A 805 11.166 11.858 1.034 1.00 0.00 C ATOM 1514 CG PRO A 805 11.355 11.057 2.273 1.00 0.00 C ATOM 1515 CD PRO A 805 12.554 10.191 2.016 1.00 0.00 C ATOM 0 HA PRO A 805 10.778 10.419 -0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 805 11.766 12.767 1.055 1.00 0.00 H new ATOM 0 HB3 PRO A 805 10.127 12.165 0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 805 11.516 11.703 3.136 1.00 0.00 H new ATOM 0 HG3 PRO A 805 10.474 10.452 2.487 1.00 0.00 H new ATOM 0 HD2 PRO A 805 13.478 10.682 2.322 1.00 0.00 H new ATOM 0 HD3 PRO A 805 12.496 9.251 2.564 1.00 0.00 H new ATOM 1523 N GLU A 806 13.607 11.519 -1.346 1.00 0.00 N ATOM 1524 CA GLU A 806 14.394 12.224 -2.352 1.00 0.00 C ATOM 1525 C GLU A 806 14.697 11.326 -3.549 1.00 0.00 C ATOM 1526 O GLU A 806 15.044 11.812 -4.625 1.00 0.00 O ATOM 1527 CB GLU A 806 15.702 12.716 -1.739 1.00 0.00 C ATOM 1528 CG GLU A 806 15.509 13.597 -0.516 1.00 0.00 C ATOM 1529 CD GLU A 806 16.823 14.068 0.077 1.00 0.00 C ATOM 1530 OE1 GLU A 806 17.403 13.327 0.899 1.00 0.00 O ATOM 1531 OE2 GLU A 806 17.273 15.177 -0.281 1.00 0.00 O ATOM 0 H GLU A 806 14.143 10.862 -0.779 1.00 0.00 H new ATOM 0 HA GLU A 806 13.808 13.074 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 806 16.311 11.855 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 806 16.260 13.272 -2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 806 14.906 14.463 -0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 806 14.950 13.045 0.240 1.00 0.00 H new ATOM 1538 N SER A 807 14.571 10.016 -3.350 1.00 0.00 N ATOM 1539 CA SER A 807 14.836 9.051 -4.412 1.00 0.00 C ATOM 1540 C SER A 807 14.025 9.368 -5.650 1.00 0.00 C ATOM 1541 O SER A 807 14.519 9.988 -6.594 1.00 0.00 O ATOM 1542 CB SER A 807 14.507 7.636 -3.950 1.00 0.00 C ATOM 1543 OG SER A 807 14.342 6.761 -5.052 1.00 0.00 O ATOM 0 H SER A 807 14.287 9.599 -2.463 1.00 0.00 H new ATOM 0 HA SER A 807 15.897 9.116 -4.654 1.00 0.00 H new ATOM 0 HB2 SER A 807 15.305 7.267 -3.306 1.00 0.00 H new ATOM 0 HB3 SER A 807 13.595 7.649 -3.353 1.00 0.00 H new ATOM 0 HG SER A 807 13.980 5.906 -4.739 1.00 0.00 H new ATOM 1549 N GLU A 808 12.771 8.944 -5.622 1.00 0.00 N ATOM 1550 CA GLU A 808 11.859 9.142 -6.731 1.00 0.00 C ATOM 1551 C GLU A 808 10.557 8.404 -6.459 1.00 0.00 C ATOM 1552 O GLU A 808 9.472 8.985 -6.511 1.00 0.00 O ATOM 1553 CB GLU A 808 12.499 8.628 -8.023 1.00 0.00 C ATOM 1554 CG GLU A 808 11.498 8.196 -9.073 1.00 0.00 C ATOM 1555 CD GLU A 808 10.608 9.332 -9.538 1.00 0.00 C ATOM 1556 OE1 GLU A 808 11.078 10.161 -10.346 1.00 0.00 O ATOM 1557 OE2 GLU A 808 9.443 9.394 -9.097 1.00 0.00 O ATOM 0 H GLU A 808 12.360 8.453 -4.828 1.00 0.00 H new ATOM 0 HA GLU A 808 11.646 10.205 -6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 808 13.133 9.411 -8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 808 13.148 7.785 -7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 808 12.032 7.784 -9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 808 10.877 7.396 -8.670 1.00 0.00 H new ATOM 1564 N TYR A 809 10.682 7.116 -6.161 1.00 0.00 N ATOM 1565 CA TYR A 809 9.522 6.281 -5.878 1.00 0.00 C ATOM 1566 C TYR A 809 8.837 6.729 -4.599 1.00 0.00 C ATOM 1567 O TYR A 809 7.612 6.762 -4.520 1.00 0.00 O ATOM 1568 CB TYR A 809 9.912 4.828 -5.738 1.00 0.00 C ATOM 1569 CG TYR A 809 11.153 4.458 -6.486 1.00 0.00 C ATOM 1570 CD1 TYR A 809 11.436 4.921 -7.759 1.00 0.00 C ATOM 1571 CD2 TYR A 809 12.053 3.654 -5.878 1.00 0.00 C ATOM 1572 CE1 TYR A 809 12.607 4.563 -8.394 1.00 0.00 C ATOM 1573 CE2 TYR A 809 13.216 3.288 -6.472 1.00 0.00 C ATOM 1574 CZ TYR A 809 13.501 3.743 -7.745 1.00 0.00 C ATOM 1575 OH TYR A 809 14.668 3.383 -8.370 1.00 0.00 O ATOM 0 H TYR A 809 11.576 6.627 -6.109 1.00 0.00 H new ATOM 0 HA TYR A 809 8.837 6.387 -6.719 1.00 0.00 H new ATOM 0 HB2 TYR A 809 10.055 4.601 -4.682 1.00 0.00 H new ATOM 0 HB3 TYR A 809 9.089 4.206 -6.089 1.00 0.00 H new ATOM 0 HD1 TYR A 809 10.733 5.569 -8.260 1.00 0.00 H new ATOM 0 HD2 TYR A 809 11.839 3.290 -4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 809 12.820 4.923 -9.390 1.00 0.00 H new ATOM 0 HE2 TYR A 809 13.913 2.646 -5.954 1.00 0.00 H new ATOM 0 HH TYR A 809 14.461 2.917 -9.207 1.00 0.00 H new ATOM 1585 N TYR A 810 9.642 7.054 -3.588 1.00 0.00 N ATOM 1586 CA TYR A 810 9.112 7.482 -2.301 1.00 0.00 C ATOM 1587 C TYR A 810 8.009 8.507 -2.493 1.00 0.00 C ATOM 1588 O TYR A 810 6.885 8.313 -2.045 1.00 0.00 O ATOM 1589 CB TYR A 810 10.217 8.065 -1.426 1.00 0.00 C ATOM 1590 CG TYR A 810 9.837 8.158 0.033 1.00 0.00 C ATOM 1591 CD1 TYR A 810 8.640 8.710 0.423 1.00 0.00 C ATOM 1592 CD2 TYR A 810 10.681 7.688 1.014 1.00 0.00 C ATOM 1593 CE1 TYR A 810 8.293 8.793 1.752 1.00 0.00 C ATOM 1594 CE2 TYR A 810 10.350 7.766 2.350 1.00 0.00 C ATOM 1595 CZ TYR A 810 9.151 8.320 2.716 1.00 0.00 C ATOM 1596 OH TYR A 810 8.805 8.403 4.045 1.00 0.00 O ATOM 0 H TYR A 810 10.660 7.028 -3.638 1.00 0.00 H new ATOM 0 HA TYR A 810 8.697 6.607 -1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 810 11.111 7.449 -1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 810 10.474 9.059 -1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 810 7.960 9.085 -0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 810 11.625 7.248 0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 810 7.347 9.229 2.037 1.00 0.00 H new ATOM 0 HE2 TYR A 810 11.030 7.394 3.102 1.00 0.00 H new ATOM 0 HH TYR A 810 8.925 7.528 4.470 1.00 0.00 H new ATOM 1606 N LYS A 811 8.339 9.612 -3.127 1.00 0.00 N ATOM 1607 CA LYS A 811 7.347 10.636 -3.387 1.00 0.00 C ATOM 1608 C LYS A 811 6.186 9.997 -4.092 1.00 0.00 C ATOM 1609 O LYS A 811 5.047 10.138 -3.685 1.00 0.00 O ATOM 1610 CB LYS A 811 7.939 11.711 -4.273 1.00 0.00 C ATOM 1611 CG LYS A 811 9.299 12.146 -3.807 1.00 0.00 C ATOM 1612 CD LYS A 811 9.849 13.263 -4.668 1.00 0.00 C ATOM 1613 CE LYS A 811 10.022 12.780 -6.087 1.00 0.00 C ATOM 1614 NZ LYS A 811 9.756 13.852 -7.084 1.00 0.00 N ATOM 0 H LYS A 811 9.276 9.824 -3.469 1.00 0.00 H new ATOM 0 HA LYS A 811 7.023 11.088 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 811 8.009 11.339 -5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 811 7.271 12.572 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 811 9.240 12.479 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 811 9.982 11.297 -3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 811 9.173 14.118 -4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 811 10.806 13.603 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 811 11.037 12.407 -6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 811 9.348 11.943 -6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 9.887 13.474 -8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 8.779 14.192 -6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 10.416 14.641 -6.930 1.00 0.00 H new ATOM 1628 N CYS A 812 6.510 9.293 -5.162 1.00 0.00 N ATOM 1629 CA CYS A 812 5.527 8.577 -5.949 1.00 0.00 C ATOM 1630 C CYS A 812 4.600 7.776 -5.047 1.00 0.00 C ATOM 1631 O CYS A 812 3.452 7.524 -5.386 1.00 0.00 O ATOM 1632 CB CYS A 812 6.233 7.638 -6.918 1.00 0.00 C ATOM 1633 SG CYS A 812 6.747 8.409 -8.469 1.00 0.00 S ATOM 0 H CYS A 812 7.465 9.203 -5.509 1.00 0.00 H new ATOM 0 HA CYS A 812 4.933 9.301 -6.507 1.00 0.00 H new ATOM 0 HB2 CYS A 812 7.112 7.222 -6.425 1.00 0.00 H new ATOM 0 HB3 CYS A 812 5.569 6.804 -7.144 1.00 0.00 H new ATOM 0 HG CYS A 812 7.938 8.910 -8.330 1.00 0.00 H new ATOM 1639 N ALA A 813 5.116 7.374 -3.895 1.00 0.00 N ATOM 1640 CA ALA A 813 4.334 6.615 -2.936 1.00 0.00 C ATOM 1641 C ALA A 813 3.294 7.524 -2.316 1.00 0.00 C ATOM 1642 O ALA A 813 2.113 7.216 -2.301 1.00 0.00 O ATOM 1643 CB ALA A 813 5.241 6.025 -1.870 1.00 0.00 C ATOM 0 H ALA A 813 6.075 7.562 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 813 3.831 5.791 -3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 813 4.643 5.458 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 813 5.971 5.364 -2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 813 5.761 6.829 -1.349 1.00 0.00 H new ATOM 1649 N ASN A 814 3.767 8.653 -1.818 1.00 0.00 N ATOM 1650 CA ASN A 814 2.932 9.671 -1.212 1.00 0.00 C ATOM 1651 C ASN A 814 1.917 10.182 -2.224 1.00 0.00 C ATOM 1652 O ASN A 814 0.729 10.349 -1.939 1.00 0.00 O ATOM 1653 CB ASN A 814 3.834 10.822 -0.801 1.00 0.00 C ATOM 1654 CG ASN A 814 3.183 11.758 0.198 1.00 0.00 C ATOM 1655 OD1 ASN A 814 2.341 11.348 0.996 1.00 0.00 O ATOM 1656 ND2 ASN A 814 3.574 13.027 0.161 1.00 0.00 N ATOM 0 H ASN A 814 4.759 8.890 -1.824 1.00 0.00 H new ATOM 0 HA ASN A 814 2.401 9.258 -0.354 1.00 0.00 H new ATOM 0 HB2 ASN A 814 4.752 10.421 -0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 814 4.119 11.388 -1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 814 3.173 13.703 0.811 1.00 0.00 H new ATOM 0 HD22 ASN A 814 4.275 13.325 -0.517 1.00 0.00 H new ATOM 1663 N ILE A 815 2.434 10.405 -3.416 1.00 0.00 N ATOM 1664 CA ILE A 815 1.680 10.912 -4.543 1.00 0.00 C ATOM 1665 C ILE A 815 0.585 9.949 -4.922 1.00 0.00 C ATOM 1666 O ILE A 815 -0.595 10.294 -4.924 1.00 0.00 O ATOM 1667 CB ILE A 815 2.624 11.125 -5.722 1.00 0.00 C ATOM 1668 CG1 ILE A 815 3.431 12.387 -5.487 1.00 0.00 C ATOM 1669 CG2 ILE A 815 1.867 11.182 -7.035 1.00 0.00 C ATOM 1670 CD1 ILE A 815 4.810 12.307 -6.051 1.00 0.00 C ATOM 0 H ILE A 815 3.416 10.234 -3.632 1.00 0.00 H new ATOM 0 HA ILE A 815 1.219 11.861 -4.268 1.00 0.00 H new ATOM 0 HB ILE A 815 3.305 10.277 -5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 815 2.910 13.234 -5.933 1.00 0.00 H new ATOM 0 HG13 ILE A 815 3.492 12.579 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 815 2.570 11.335 -7.854 1.00 0.00 H new ATOM 0 HG22 ILE A 815 1.331 10.245 -7.187 1.00 0.00 H new ATOM 0 HG23 ILE A 815 1.155 12.007 -7.009 1.00 0.00 H new ATOM 0 HD11 ILE A 815 5.339 13.239 -5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 815 5.346 11.479 -5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 815 4.754 12.144 -7.127 1.00 0.00 H new ATOM 1682 N LEU A 816 0.993 8.747 -5.272 1.00 0.00 N ATOM 1683 CA LEU A 816 0.059 7.703 -5.605 1.00 0.00 C ATOM 1684 C LEU A 816 -0.933 7.585 -4.472 1.00 0.00 C ATOM 1685 O LEU A 816 -2.128 7.715 -4.659 1.00 0.00 O ATOM 1686 CB LEU A 816 0.801 6.389 -5.773 1.00 0.00 C ATOM 1687 CG LEU A 816 0.159 5.388 -6.702 1.00 0.00 C ATOM 1688 CD1 LEU A 816 0.941 4.118 -6.686 1.00 0.00 C ATOM 1689 CD2 LEU A 816 -1.260 5.165 -6.314 1.00 0.00 C ATOM 0 H LEU A 816 1.973 8.472 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 816 -0.456 7.937 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 816 1.805 6.604 -6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 816 0.911 5.927 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 816 0.164 5.776 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 816 0.476 3.396 -7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 816 1.961 4.315 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 816 0.958 3.714 -5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 816 -1.713 4.441 -6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 816 -1.303 4.784 -5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 816 -1.805 6.107 -6.372 1.00 0.00 H new ATOM 1701 N GLU A 817 -0.396 7.369 -3.288 1.00 0.00 N ATOM 1702 CA GLU A 817 -1.192 7.242 -2.084 1.00 0.00 C ATOM 1703 C GLU A 817 -2.244 8.360 -2.009 1.00 0.00 C ATOM 1704 O GLU A 817 -3.293 8.209 -1.399 1.00 0.00 O ATOM 1705 CB GLU A 817 -0.262 7.301 -0.874 1.00 0.00 C ATOM 1706 CG GLU A 817 -0.906 6.851 0.427 1.00 0.00 C ATOM 1707 CD GLU A 817 -1.335 8.015 1.300 1.00 0.00 C ATOM 1708 OE1 GLU A 817 -2.434 8.558 1.069 1.00 0.00 O ATOM 1709 OE2 GLU A 817 -0.570 8.382 2.216 1.00 0.00 O ATOM 0 H GLU A 817 0.608 7.276 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 817 -1.721 6.289 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 817 0.611 6.678 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 817 0.097 8.323 -0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 817 -1.774 6.231 0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 817 -0.203 6.227 0.979 1.00 0.00 H new ATOM 1716 N LYS A 818 -1.941 9.488 -2.624 1.00 0.00 N ATOM 1717 CA LYS A 818 -2.830 10.621 -2.669 1.00 0.00 C ATOM 1718 C LYS A 818 -3.889 10.436 -3.767 1.00 0.00 C ATOM 1719 O LYS A 818 -5.089 10.551 -3.506 1.00 0.00 O ATOM 1720 CB LYS A 818 -1.941 11.811 -2.867 1.00 0.00 C ATOM 1721 CG LYS A 818 -2.362 12.698 -3.971 1.00 0.00 C ATOM 1722 CD LYS A 818 -1.167 13.415 -4.568 1.00 0.00 C ATOM 1723 CE LYS A 818 -1.163 13.295 -6.078 1.00 0.00 C ATOM 1724 NZ LYS A 818 -2.358 13.936 -6.693 1.00 0.00 N ATOM 0 H LYS A 818 -1.058 9.639 -3.111 1.00 0.00 H new ATOM 0 HA LYS A 818 -3.413 10.747 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 818 -1.911 12.388 -1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 818 -0.925 11.465 -3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 818 -2.864 12.114 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 818 -3.084 13.427 -3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 818 -1.189 14.467 -4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 818 -0.246 12.995 -4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 818 -0.259 13.757 -6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 818 -1.133 12.242 -6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 -2.274 13.905 -7.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 -3.215 13.425 -6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 -2.421 14.926 -6.380 1.00 0.00 H new ATOM 1738 N PHE A 819 -3.444 10.150 -4.993 1.00 0.00 N ATOM 1739 CA PHE A 819 -4.361 9.895 -6.102 1.00 0.00 C ATOM 1740 C PHE A 819 -5.252 8.739 -5.691 1.00 0.00 C ATOM 1741 O PHE A 819 -6.479 8.825 -5.713 1.00 0.00 O ATOM 1742 CB PHE A 819 -3.547 9.559 -7.357 1.00 0.00 C ATOM 1743 CG PHE A 819 -4.269 8.799 -8.451 1.00 0.00 C ATOM 1744 CD1 PHE A 819 -4.729 7.504 -8.245 1.00 0.00 C ATOM 1745 CD2 PHE A 819 -4.440 9.364 -9.703 1.00 0.00 C ATOM 1746 CE1 PHE A 819 -5.339 6.797 -9.242 1.00 0.00 C ATOM 1747 CE2 PHE A 819 -5.062 8.659 -10.716 1.00 0.00 C ATOM 1748 CZ PHE A 819 -5.511 7.372 -10.486 1.00 0.00 C ATOM 0 H PHE A 819 -2.456 10.090 -5.241 1.00 0.00 H new ATOM 0 HA PHE A 819 -4.976 10.765 -6.330 1.00 0.00 H new ATOM 0 HB2 PHE A 819 -3.173 10.491 -7.780 1.00 0.00 H new ATOM 0 HB3 PHE A 819 -2.678 8.975 -7.053 1.00 0.00 H new ATOM 0 HD1 PHE A 819 -4.601 7.046 -7.275 1.00 0.00 H new ATOM 0 HD2 PHE A 819 -4.084 10.366 -9.890 1.00 0.00 H new ATOM 0 HE1 PHE A 819 -5.686 5.791 -9.058 1.00 0.00 H new ATOM 0 HE2 PHE A 819 -5.197 9.113 -11.686 1.00 0.00 H new ATOM 0 HZ PHE A 819 -5.995 6.818 -11.277 1.00 0.00 H new ATOM 1758 N PHE A 820 -4.586 7.642 -5.353 1.00 0.00 N ATOM 1759 CA PHE A 820 -5.233 6.453 -4.852 1.00 0.00 C ATOM 1760 C PHE A 820 -6.268 6.870 -3.840 1.00 0.00 C ATOM 1761 O PHE A 820 -7.413 6.462 -3.946 1.00 0.00 O ATOM 1762 CB PHE A 820 -4.162 5.522 -4.290 1.00 0.00 C ATOM 1763 CG PHE A 820 -4.434 4.866 -2.987 1.00 0.00 C ATOM 1764 CD1 PHE A 820 -4.045 5.406 -1.787 1.00 0.00 C ATOM 1765 CD2 PHE A 820 -5.003 3.652 -2.992 1.00 0.00 C ATOM 1766 CE1 PHE A 820 -4.259 4.716 -0.608 1.00 0.00 C ATOM 1767 CE2 PHE A 820 -5.206 2.951 -1.854 1.00 0.00 C ATOM 1768 CZ PHE A 820 -4.842 3.472 -0.650 1.00 0.00 C ATOM 0 H PHE A 820 -3.572 7.560 -5.423 1.00 0.00 H new ATOM 0 HA PHE A 820 -5.755 5.900 -5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 820 -3.977 4.740 -5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 820 -3.239 6.093 -4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 820 -3.569 6.375 -1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 820 -5.309 3.221 -3.934 1.00 0.00 H new ATOM 0 HE1 PHE A 820 -3.971 5.151 0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 820 -5.660 1.972 -1.900 1.00 0.00 H new ATOM 0 HZ PHE A 820 -5.009 2.915 0.260 1.00 0.00 H new ATOM 1778 N PHE A 821 -5.885 7.757 -2.916 1.00 0.00 N ATOM 1779 CA PHE A 821 -6.822 8.239 -1.911 1.00 0.00 C ATOM 1780 C PHE A 821 -8.092 8.784 -2.539 1.00 0.00 C ATOM 1781 O PHE A 821 -9.177 8.582 -2.012 1.00 0.00 O ATOM 1782 CB PHE A 821 -6.173 9.249 -0.977 1.00 0.00 C ATOM 1783 CG PHE A 821 -5.974 8.649 0.378 1.00 0.00 C ATOM 1784 CD1 PHE A 821 -5.231 7.506 0.476 1.00 0.00 C ATOM 1785 CD2 PHE A 821 -6.574 9.158 1.517 1.00 0.00 C ATOM 1786 CE1 PHE A 821 -5.062 6.853 1.670 1.00 0.00 C ATOM 1787 CE2 PHE A 821 -6.404 8.524 2.739 1.00 0.00 C ATOM 1788 CZ PHE A 821 -5.645 7.364 2.815 1.00 0.00 C ATOM 0 H PHE A 821 -4.945 8.148 -2.847 1.00 0.00 H new ATOM 0 HA PHE A 821 -7.111 7.381 -1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 821 -5.214 9.568 -1.385 1.00 0.00 H new ATOM 0 HB3 PHE A 821 -6.799 10.138 -0.900 1.00 0.00 H new ATOM 0 HD1 PHE A 821 -4.764 7.106 -0.412 1.00 0.00 H new ATOM 0 HD2 PHE A 821 -7.177 10.052 1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 821 -4.478 5.946 1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 821 -6.861 8.932 3.629 1.00 0.00 H new ATOM 0 HZ PHE A 821 -5.511 6.864 3.763 1.00 0.00 H new ATOM 1798 N SER A 822 -7.964 9.456 -3.668 1.00 0.00 N ATOM 1799 CA SER A 822 -9.134 9.988 -4.353 1.00 0.00 C ATOM 1800 C SER A 822 -9.963 8.858 -4.967 1.00 0.00 C ATOM 1801 O SER A 822 -11.173 8.982 -5.118 1.00 0.00 O ATOM 1802 CB SER A 822 -8.712 10.979 -5.440 1.00 0.00 C ATOM 1803 OG SER A 822 -9.840 11.494 -6.127 1.00 0.00 O ATOM 0 H SER A 822 -7.074 9.647 -4.128 1.00 0.00 H new ATOM 0 HA SER A 822 -9.749 10.510 -3.619 1.00 0.00 H new ATOM 0 HB2 SER A 822 -8.150 11.798 -4.991 1.00 0.00 H new ATOM 0 HB3 SER A 822 -8.046 10.486 -6.147 1.00 0.00 H new ATOM 0 HG SER A 822 -9.544 12.126 -6.815 1.00 0.00 H new ATOM 1809 N LYS A 823 -9.294 7.751 -5.297 1.00 0.00 N ATOM 1810 CA LYS A 823 -9.943 6.584 -5.914 1.00 0.00 C ATOM 1811 C LYS A 823 -10.656 5.704 -4.902 1.00 0.00 C ATOM 1812 O LYS A 823 -11.722 5.155 -5.178 1.00 0.00 O ATOM 1813 CB LYS A 823 -8.889 5.755 -6.648 1.00 0.00 C ATOM 1814 CG LYS A 823 -8.120 6.520 -7.696 1.00 0.00 C ATOM 1815 CD LYS A 823 -9.050 7.248 -8.637 1.00 0.00 C ATOM 1816 CE LYS A 823 -8.405 8.482 -9.220 1.00 0.00 C ATOM 1817 NZ LYS A 823 -9.407 9.408 -9.818 1.00 0.00 N ATOM 0 H LYS A 823 -8.292 7.635 -5.146 1.00 0.00 H new ATOM 0 HA LYS A 823 -10.698 6.959 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 823 -8.186 5.354 -5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 823 -9.378 4.903 -7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 823 -7.455 7.236 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 823 -7.491 5.833 -8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 823 -9.348 6.578 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 823 -9.958 7.530 -8.104 1.00 0.00 H new ATOM 0 HE2 LYS A 823 -7.850 9.003 -8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 823 -7.683 8.188 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 -8.921 10.241 -10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 -9.920 8.920 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 -10.081 9.710 -9.086 1.00 0.00 H new ATOM 1831 N ILE A 824 -10.071 5.579 -3.736 1.00 0.00 N ATOM 1832 CA ILE A 824 -10.640 4.763 -2.685 1.00 0.00 C ATOM 1833 C ILE A 824 -11.807 5.514 -2.104 1.00 0.00 C ATOM 1834 O ILE A 824 -12.908 4.993 -1.966 1.00 0.00 O ATOM 1835 CB ILE A 824 -9.619 4.501 -1.591 1.00 0.00 C ATOM 1836 CG1 ILE A 824 -8.565 5.542 -1.641 1.00 0.00 C ATOM 1837 CG2 ILE A 824 -8.996 3.141 -1.757 1.00 0.00 C ATOM 1838 CD1 ILE A 824 -7.429 5.288 -0.725 1.00 0.00 C ATOM 0 H ILE A 824 -9.193 6.035 -3.487 1.00 0.00 H new ATOM 0 HA ILE A 824 -10.952 3.802 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 824 -10.125 4.533 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 824 -8.188 5.615 -2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 824 -9.009 6.507 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 824 -8.268 2.975 -0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 824 -9.771 2.377 -1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 824 -8.497 3.085 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 824 -6.699 6.092 -0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 824 -7.792 5.245 0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 824 -6.958 4.339 -0.983 1.00 0.00 H new ATOM 1850 N LYS A 825 -11.544 6.778 -1.818 1.00 0.00 N ATOM 1851 CA LYS A 825 -12.540 7.664 -1.260 1.00 0.00 C ATOM 1852 C LYS A 825 -13.770 7.629 -2.130 1.00 0.00 C ATOM 1853 O LYS A 825 -14.894 7.435 -1.667 1.00 0.00 O ATOM 1854 CB LYS A 825 -12.029 9.090 -1.229 1.00 0.00 C ATOM 1855 CG LYS A 825 -11.996 9.667 0.164 1.00 0.00 C ATOM 1856 CD LYS A 825 -11.342 11.024 0.194 1.00 0.00 C ATOM 1857 CE LYS A 825 -9.839 10.889 0.084 1.00 0.00 C ATOM 1858 NZ LYS A 825 -9.201 12.122 -0.453 1.00 0.00 N ATOM 0 H LYS A 825 -10.634 7.214 -1.967 1.00 0.00 H new ATOM 0 HA LYS A 825 -12.766 7.336 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -11.026 9.121 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -12.663 9.712 -1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -13.013 9.745 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.456 8.989 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.719 11.635 -0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.600 11.539 1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -9.423 10.665 1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -9.598 10.046 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -8.172 11.983 -0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -9.577 12.323 -1.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -9.408 12.923 0.178 1.00 0.00 H new ATOM 1872 N GLU A 826 -13.511 7.833 -3.411 1.00 0.00 N ATOM 1873 CA GLU A 826 -14.545 7.837 -4.425 1.00 0.00 C ATOM 1874 C GLU A 826 -15.314 6.536 -4.387 1.00 0.00 C ATOM 1875 O GLU A 826 -16.534 6.509 -4.555 1.00 0.00 O ATOM 1876 CB GLU A 826 -13.913 8.022 -5.812 1.00 0.00 C ATOM 1877 CG GLU A 826 -13.883 6.749 -6.637 1.00 0.00 C ATOM 1878 CD GLU A 826 -13.094 6.899 -7.923 1.00 0.00 C ATOM 1879 OE1 GLU A 826 -13.464 7.758 -8.750 1.00 0.00 O ATOM 1880 OE2 GLU A 826 -12.106 6.155 -8.105 1.00 0.00 O ATOM 0 H GLU A 826 -12.573 8.001 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 826 -15.230 8.662 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 826 -14.468 8.786 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 826 -12.895 8.392 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 826 -13.449 5.946 -6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 826 -14.904 6.452 -6.876 1.00 0.00 H new ATOM 1887 N ALA A 827 -14.584 5.457 -4.164 1.00 0.00 N ATOM 1888 CA ALA A 827 -15.181 4.142 -4.140 1.00 0.00 C ATOM 1889 C ALA A 827 -15.648 3.711 -2.750 1.00 0.00 C ATOM 1890 O ALA A 827 -15.885 2.533 -2.526 1.00 0.00 O ATOM 1891 CB ALA A 827 -14.197 3.143 -4.702 1.00 0.00 C ATOM 0 H ALA A 827 -13.578 5.470 -3.998 1.00 0.00 H new ATOM 0 HA ALA A 827 -16.079 4.181 -4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 827 -14.641 2.147 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 827 -13.949 3.414 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 827 -13.290 3.145 -4.097 1.00 0.00 H new ATOM 1897 N GLY A 828 -15.796 4.659 -1.828 1.00 0.00 N ATOM 1898 CA GLY A 828 -16.248 4.317 -0.483 1.00 0.00 C ATOM 1899 C GLY A 828 -15.290 3.378 0.231 1.00 0.00 C ATOM 1900 O GLY A 828 -15.691 2.583 1.080 1.00 0.00 O ATOM 0 H GLY A 828 -15.614 5.651 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 828 -16.361 5.230 0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 828 -17.232 3.852 -0.541 1.00 0.00 H new ATOM 1904 N LEU A 829 -14.019 3.505 -0.097 1.00 0.00 N ATOM 1905 CA LEU A 829 -12.969 2.653 0.448 1.00 0.00 C ATOM 1906 C LEU A 829 -12.462 3.145 1.802 1.00 0.00 C ATOM 1907 O LEU A 829 -12.953 2.713 2.840 1.00 0.00 O ATOM 1908 CB LEU A 829 -11.855 2.602 -0.584 1.00 0.00 C ATOM 1909 CG LEU A 829 -12.293 2.031 -1.939 1.00 0.00 C ATOM 1910 CD1 LEU A 829 -11.184 1.296 -2.620 1.00 0.00 C ATOM 1911 CD2 LEU A 829 -13.488 1.103 -1.806 1.00 0.00 C ATOM 0 H LEU A 829 -13.679 4.207 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 829 -13.363 1.655 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -11.464 3.609 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -11.037 1.997 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 829 -12.576 2.891 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -11.537 0.908 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -10.348 1.975 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -10.856 0.468 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -13.764 0.722 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -13.230 0.269 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -14.329 1.651 -1.380 1.00 0.00 H new ATOM 1923 N ILE A 830 -11.445 4.011 1.762 1.00 0.00 N ATOM 1924 CA ILE A 830 -10.834 4.627 2.937 1.00 0.00 C ATOM 1925 C ILE A 830 -11.660 4.609 4.215 1.00 0.00 C ATOM 1926 O ILE A 830 -11.097 4.556 5.306 1.00 0.00 O ATOM 1927 CB ILE A 830 -10.482 6.066 2.620 1.00 0.00 C ATOM 1928 CG1 ILE A 830 -10.492 6.232 1.121 1.00 0.00 C ATOM 1929 CG2 ILE A 830 -9.113 6.381 3.151 1.00 0.00 C ATOM 1930 CD1 ILE A 830 -9.700 7.401 0.637 1.00 0.00 C ATOM 0 H ILE A 830 -11.015 4.309 0.887 1.00 0.00 H new ATOM 0 HA ILE A 830 -9.961 4.008 3.145 1.00 0.00 H new ATOM 0 HB ILE A 830 -11.203 6.741 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 830 -10.100 5.325 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 830 -11.523 6.339 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 830 -8.863 7.417 2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 830 -9.099 6.235 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 830 -8.382 5.720 2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 830 -9.756 7.453 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 830 -10.105 8.318 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 830 -8.660 7.287 0.942 1.00 0.00 H new ATOM 1942 N ASP A 831 -12.975 4.694 4.100 1.00 0.00 N ATOM 1943 CA ASP A 831 -13.824 4.683 5.281 1.00 0.00 C ATOM 1944 C ASP A 831 -13.488 3.494 6.185 1.00 0.00 C ATOM 1945 O ASP A 831 -13.828 3.485 7.368 1.00 0.00 O ATOM 1946 CB ASP A 831 -15.300 4.644 4.884 1.00 0.00 C ATOM 1947 CG ASP A 831 -15.712 5.855 4.071 1.00 0.00 C ATOM 1948 OD1 ASP A 831 -15.595 5.804 2.829 1.00 0.00 O ATOM 1949 OD2 ASP A 831 -16.154 6.854 4.677 1.00 0.00 O ATOM 0 H ASP A 831 -13.473 4.770 3.213 1.00 0.00 H new ATOM 0 HA ASP A 831 -13.636 5.602 5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 831 -15.495 3.740 4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 831 -15.914 4.587 5.783 1.00 0.00 H new ATOM 1954 N LYS A 832 -12.808 2.497 5.612 1.00 0.00 N ATOM 1955 CA LYS A 832 -12.408 1.295 6.343 1.00 0.00 C ATOM 1956 C LYS A 832 -13.568 0.733 7.160 1.00 0.00 C ATOM 1957 O LYS A 832 -13.657 1.056 8.363 1.00 0.00 O ATOM 1958 CB LYS A 832 -11.214 1.594 7.256 1.00 0.00 C ATOM 1959 CG LYS A 832 -10.029 2.224 6.535 1.00 0.00 C ATOM 1960 CD LYS A 832 -8.855 1.265 6.424 1.00 0.00 C ATOM 1961 CE LYS A 832 -8.197 1.024 7.774 1.00 0.00 C ATOM 1962 NZ LYS A 832 -7.688 2.286 8.377 1.00 0.00 N ATOM 1963 OXT LYS A 832 -14.380 -0.025 6.588 1.00 0.00 O ATOM 0 H LYS A 832 -12.521 2.501 4.633 1.00 0.00 H new ATOM 0 HA LYS A 832 -12.113 0.543 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 832 -11.538 2.262 8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 832 -10.889 0.667 7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 832 -10.337 2.538 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 832 -9.715 3.121 7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 832 -9.198 0.316 6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 832 -8.120 1.668 5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 832 -8.916 0.562 8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 832 -7.373 0.320 7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 832 -6.984 2.062 9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 832 -7.246 2.870 7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 832 -8.478 2.809 8.806 1.00 0.00 H new TER 1977 LYS A 832 ATOM 1978 N SER B 31 17.591 8.422 -12.986 1.00 0.00 N ATOM 1979 CA SER B 31 16.717 9.502 -13.512 1.00 0.00 C ATOM 1980 C SER B 31 15.575 8.925 -14.340 1.00 0.00 C ATOM 1981 O SER B 31 15.728 7.887 -14.985 1.00 0.00 O ATOM 1982 CB SER B 31 17.536 10.473 -14.366 1.00 0.00 C ATOM 1983 OG SER B 31 18.110 9.811 -15.481 1.00 0.00 O ATOM 0 HA SER B 31 16.292 10.037 -12.663 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.898 11.287 -14.711 1.00 0.00 H new ATOM 0 HB3 SER B 31 18.323 10.921 -13.760 1.00 0.00 H new ATOM 0 HG SER B 31 18.368 8.901 -15.224 1.00 0.00 H new ATOM 1991 N THR B 32 14.431 9.608 -14.315 1.00 0.00 N ATOM 1992 CA THR B 32 13.251 9.176 -15.059 1.00 0.00 C ATOM 1993 C THR B 32 12.741 7.827 -14.555 1.00 0.00 C ATOM 1994 O THR B 32 11.811 7.768 -13.752 1.00 0.00 O ATOM 1995 CB THR B 32 13.533 9.080 -16.572 1.00 0.00 C ATOM 1996 OG1 THR B 32 14.102 10.307 -17.043 1.00 0.00 O ATOM 1997 CG2 THR B 32 12.257 8.781 -17.343 1.00 0.00 C ATOM 0 H THR B 32 14.297 10.468 -13.783 1.00 0.00 H new ATOM 0 HA THR B 32 12.485 9.933 -14.894 1.00 0.00 H new ATOM 0 HB THR B 32 14.238 8.265 -16.736 1.00 0.00 H new ATOM 0 HG1 THR B 32 14.280 10.237 -18.004 1.00 0.00 H new ATOM 0 HG21 THR B 32 12.482 8.718 -18.408 1.00 0.00 H new ATOM 0 HG22 THR B 32 11.840 7.833 -17.003 1.00 0.00 H new ATOM 0 HG23 THR B 32 11.533 9.578 -17.171 1.00 0.00 H new ATOM 2005 N GLY B 33 13.355 6.748 -15.033 1.00 0.00 N ATOM 2006 CA GLY B 33 12.948 5.418 -14.618 1.00 0.00 C ATOM 2007 C GLY B 33 14.058 4.396 -14.773 1.00 0.00 C ATOM 2008 O GLY B 33 14.767 4.390 -15.780 1.00 0.00 O ATOM 0 H GLY B 33 14.126 6.772 -15.700 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.629 5.448 -13.576 1.00 0.00 H new ATOM 0 HA3 GLY B 33 12.086 5.105 -15.207 1.00 0.00 H new ATOM 2012 N GLY B 34 14.211 3.532 -13.774 1.00 0.00 N ATOM 2013 CA GLY B 34 15.244 2.514 -13.824 1.00 0.00 C ATOM 2014 C GLY B 34 15.697 2.078 -12.444 1.00 0.00 C ATOM 2015 O GLY B 34 15.554 2.830 -11.479 1.00 0.00 O ATOM 0 H GLY B 34 13.638 3.519 -12.931 1.00 0.00 H new ATOM 0 HA2 GLY B 34 14.870 1.648 -14.371 1.00 0.00 H new ATOM 0 HA3 GLY B 34 16.100 2.897 -14.380 1.00 0.00 H new ATOM 2019 N VAL B 35 16.238 0.859 -12.358 1.00 0.00 N ATOM 2020 CA VAL B 35 16.724 0.294 -11.096 1.00 0.00 C ATOM 2021 C VAL B 35 15.759 0.563 -9.945 1.00 0.00 C ATOM 2022 O VAL B 35 14.589 0.883 -10.159 1.00 0.00 O ATOM 2023 CB VAL B 35 18.122 0.839 -10.723 1.00 0.00 C ATOM 2024 CG1 VAL B 35 19.060 0.757 -11.918 1.00 0.00 C ATOM 2025 CG2 VAL B 35 18.042 2.272 -10.199 1.00 0.00 C ATOM 0 H VAL B 35 16.351 0.238 -13.159 1.00 0.00 H new ATOM 0 HA VAL B 35 16.794 -0.782 -11.254 1.00 0.00 H new ATOM 0 HB VAL B 35 18.520 0.216 -9.922 1.00 0.00 H new ATOM 0 HG11 VAL B 35 20.040 1.145 -11.639 1.00 0.00 H new ATOM 0 HG12 VAL B 35 19.157 -0.282 -12.234 1.00 0.00 H new ATOM 0 HG13 VAL B 35 18.656 1.349 -12.739 1.00 0.00 H new ATOM 0 HG21 VAL B 35 19.042 2.623 -9.946 1.00 0.00 H new ATOM 0 HG22 VAL B 35 17.614 2.917 -10.967 1.00 0.00 H new ATOM 0 HG23 VAL B 35 17.412 2.300 -9.310 1.00 0.00 H new HETATM 2035 OH ALY B 36 10.371 1.464 -4.770 1.00 0.00 O HETATM 2036 CH ALY B 36 9.936 0.314 -4.792 1.00 0.00 C HETATM 2037 CH3 ALY B 36 8.470 0.070 -4.414 1.00 0.00 C HETATM 2038 NZ ALY B 36 10.664 -0.704 -5.247 1.00 0.00 N HETATM 2039 CE ALY B 36 11.955 -1.103 -4.688 1.00 0.00 C HETATM 2040 CD ALY B 36 12.968 -1.407 -5.781 1.00 0.00 C HETATM 2041 CG ALY B 36 14.147 -0.498 -5.672 1.00 0.00 C HETATM 2042 CB ALY B 36 15.057 -0.669 -6.860 1.00 0.00 C HETATM 2043 CA ALY B 36 15.439 0.653 -7.541 1.00 0.00 C HETATM 2044 N ALY B 36 16.252 0.410 -8.720 1.00 0.00 N HETATM 2045 C ALY B 36 16.158 1.591 -6.576 1.00 0.00 C HETATM 2046 O ALY B 36 16.246 1.314 -5.379 1.00 0.00 O HETATM 0 HH33 ALY B 36 8.296 0.410 -3.393 1.00 0.00 H new HETATM 0 HH32 ALY B 36 7.822 0.622 -5.095 1.00 0.00 H new HETATM 0 HH31 ALY B 36 8.248 -0.995 -4.485 1.00 0.00 H new HETATM 0 HZ ALY B 36 10.298 -1.239 -6.035 1.00 0.00 H new HETATM 0 HG3 ALY B 36 14.694 -0.711 -4.754 1.00 0.00 H new HETATM 0 HG2 ALY B 36 13.811 0.537 -5.610 1.00 0.00 H new HETATM 0 HE3 ALY B 36 11.823 -1.983 -4.058 1.00 0.00 H new HETATM 0 HE2 ALY B 36 12.337 -0.307 -4.048 1.00 0.00 H new HETATM 0 HD3 ALY B 36 12.502 -1.291 -6.759 1.00 0.00 H new HETATM 0 HD2 ALY B 36 13.294 -2.444 -5.704 1.00 0.00 H new HETATM 0 HCA ALY B 36 14.516 1.141 -7.853 1.00 0.00 H new HETATM 0 HB3 ALY B 36 14.570 -1.316 -7.590 1.00 0.00 H new HETATM 0 HB2 ALY B 36 15.966 -1.178 -6.540 1.00 0.00 H new ATOM 2061 N LYS B 37 16.662 2.709 -7.128 1.00 0.00 N ATOM 2062 CA LYS B 37 17.382 3.727 -6.356 1.00 0.00 C ATOM 2063 C LYS B 37 17.820 3.176 -5.012 1.00 0.00 C ATOM 2064 O LYS B 37 17.316 3.583 -3.966 1.00 0.00 O ATOM 2065 CB LYS B 37 16.518 4.976 -6.166 1.00 0.00 C ATOM 2066 CG LYS B 37 16.359 5.799 -7.435 1.00 0.00 C ATOM 2067 CD LYS B 37 16.478 7.292 -7.164 1.00 0.00 C ATOM 2068 CE LYS B 37 17.928 7.725 -6.994 1.00 0.00 C ATOM 2069 NZ LYS B 37 18.531 7.194 -5.740 1.00 0.00 N ATOM 0 H LYS B 37 16.580 2.928 -8.121 1.00 0.00 H new ATOM 0 HA LYS B 37 18.273 4.007 -6.918 1.00 0.00 H new ATOM 0 HB2 LYS B 37 15.532 4.676 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS B 37 16.961 5.600 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS B 37 17.117 5.500 -8.159 1.00 0.00 H new ATOM 0 HG3 LYS B 37 15.389 5.588 -7.885 1.00 0.00 H new ATOM 0 HD2 LYS B 37 16.028 7.847 -7.987 1.00 0.00 H new ATOM 0 HD3 LYS B 37 15.916 7.543 -6.264 1.00 0.00 H new ATOM 0 HE2 LYS B 37 18.510 7.381 -7.849 1.00 0.00 H new ATOM 0 HE3 LYS B 37 17.982 8.814 -6.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 19.356 7.772 -5.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 17.828 7.229 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 18.831 6.210 -5.889 1.00 0.00 H new ATOM 2083 N PRO B 38 18.762 2.219 -5.044 1.00 0.00 N ATOM 2084 CA PRO B 38 19.281 1.558 -3.854 1.00 0.00 C ATOM 2085 C PRO B 38 19.378 2.476 -2.636 1.00 0.00 C ATOM 2086 O PRO B 38 19.593 3.681 -2.768 1.00 0.00 O ATOM 2087 CB PRO B 38 20.678 1.153 -4.310 1.00 0.00 C ATOM 2088 CG PRO B 38 20.504 0.799 -5.745 1.00 0.00 C ATOM 2089 CD PRO B 38 19.415 1.701 -6.269 1.00 0.00 C ATOM 0 HA PRO B 38 18.637 0.743 -3.524 1.00 0.00 H new ATOM 0 HB2 PRO B 38 21.390 1.969 -4.184 1.00 0.00 H new ATOM 0 HB3 PRO B 38 21.056 0.308 -3.734 1.00 0.00 H new ATOM 0 HG2 PRO B 38 21.432 0.946 -6.298 1.00 0.00 H new ATOM 0 HG3 PRO B 38 20.229 -0.250 -5.857 1.00 0.00 H new ATOM 0 HD2 PRO B 38 19.823 2.509 -6.876 1.00 0.00 H new ATOM 0 HD3 PRO B 38 18.711 1.155 -6.897 1.00 0.00 H new ATOM 2097 N HIS B 39 19.234 1.893 -1.451 1.00 0.00 N ATOM 2098 CA HIS B 39 19.317 2.653 -0.209 1.00 0.00 C ATOM 2099 C HIS B 39 19.797 1.764 0.934 1.00 0.00 C ATOM 2100 O HIS B 39 20.376 2.250 1.907 1.00 0.00 O ATOM 2101 CB HIS B 39 17.957 3.257 0.147 1.00 0.00 C ATOM 2102 CG HIS B 39 18.058 4.452 1.043 1.00 0.00 C ATOM 2103 ND1 HIS B 39 18.144 4.356 2.416 1.00 0.00 N ATOM 2104 CD2 HIS B 39 18.094 5.776 0.759 1.00 0.00 C ATOM 2105 CE1 HIS B 39 18.227 5.567 2.937 1.00 0.00 C ATOM 2106 NE2 HIS B 39 18.199 6.446 1.953 1.00 0.00 N ATOM 0 H HIS B 39 19.059 0.896 -1.324 1.00 0.00 H new ATOM 0 HA HIS B 39 20.035 3.460 -0.357 1.00 0.00 H new ATOM 0 HB2 HIS B 39 17.442 3.542 -0.770 1.00 0.00 H new ATOM 0 HB3 HIS B 39 17.345 2.497 0.633 1.00 0.00 H new ATOM 0 HD2 HIS B 39 18.049 6.222 -0.224 1.00 0.00 H new ATOM 0 HE1 HIS B 39 18.305 5.798 3.989 1.00 0.00 H new ATOM 0 HE2 HIS B 39 18.248 7.459 2.062 1.00 0.00 H new ATOM 2115 N ARG B 40 19.562 0.460 0.805 1.00 0.00 N ATOM 2116 CA ARG B 40 19.963 -0.499 1.829 1.00 0.00 C ATOM 2117 C ARG B 40 19.489 -0.042 3.206 1.00 0.00 C ATOM 2118 O ARG B 40 20.289 0.386 4.041 1.00 0.00 O ATOM 2119 CB ARG B 40 21.483 -0.676 1.825 1.00 0.00 C ATOM 2120 CG ARG B 40 21.963 -1.856 2.652 1.00 0.00 C ATOM 2121 CD ARG B 40 23.480 -1.961 2.644 1.00 0.00 C ATOM 2122 NE ARG B 40 24.015 -2.038 1.287 1.00 0.00 N ATOM 2123 CZ ARG B 40 25.307 -2.186 1.010 1.00 0.00 C ATOM 2124 NH1 ARG B 40 26.193 -2.283 1.992 1.00 0.00 N ATOM 2125 NH2 ARG B 40 25.713 -2.239 -0.250 1.00 0.00 N ATOM 0 H ARG B 40 19.095 0.044 -0.001 1.00 0.00 H new ATOM 0 HA ARG B 40 19.498 -1.458 1.603 1.00 0.00 H new ATOM 0 HB2 ARG B 40 21.822 -0.802 0.797 1.00 0.00 H new ATOM 0 HB3 ARG B 40 21.947 0.235 2.204 1.00 0.00 H new ATOM 0 HG2 ARG B 40 21.610 -1.751 3.678 1.00 0.00 H new ATOM 0 HG3 ARG B 40 21.531 -2.777 2.259 1.00 0.00 H new ATOM 0 HD2 ARG B 40 23.906 -1.097 3.153 1.00 0.00 H new ATOM 0 HD3 ARG B 40 23.785 -2.844 3.205 1.00 0.00 H new ATOM 0 HE ARG B 40 23.360 -1.975 0.508 1.00 0.00 H new ATOM 0 HH11 ARG B 40 25.884 -2.244 2.963 1.00 0.00 H new ATOM 0 HH12 ARG B 40 27.183 -2.396 1.776 1.00 0.00 H new ATOM 0 HH21 ARG B 40 25.034 -2.166 -1.008 1.00 0.00 H new ATOM 0 HH22 ARG B 40 26.704 -2.353 -0.462 1.00 0.00 H new ATOM 2139 N TYR B 41 18.181 -0.130 3.433 1.00 0.00 N ATOM 2140 CA TYR B 41 17.594 0.284 4.703 1.00 0.00 C ATOM 2141 C TYR B 41 17.525 -0.885 5.680 1.00 0.00 C ATOM 2142 O TYR B 41 17.615 -2.047 5.283 1.00 0.00 O ATOM 2143 CB TYR B 41 16.195 0.865 4.473 1.00 0.00 C ATOM 2144 CG TYR B 41 15.674 1.686 5.637 1.00 0.00 C ATOM 2145 CD1 TYR B 41 16.439 2.710 6.183 1.00 0.00 C ATOM 2146 CD2 TYR B 41 14.421 1.441 6.187 1.00 0.00 C ATOM 2147 CE1 TYR B 41 15.973 3.463 7.244 1.00 0.00 C ATOM 2148 CE2 TYR B 41 13.949 2.192 7.248 1.00 0.00 C ATOM 2149 CZ TYR B 41 14.727 3.200 7.771 1.00 0.00 C ATOM 2150 OH TYR B 41 14.259 3.950 8.826 1.00 0.00 O ATOM 0 H TYR B 41 17.508 -0.484 2.754 1.00 0.00 H new ATOM 0 HA TYR B 41 18.231 1.053 5.139 1.00 0.00 H new ATOM 0 HB2 TYR B 41 16.213 1.489 3.580 1.00 0.00 H new ATOM 0 HB3 TYR B 41 15.500 0.048 4.277 1.00 0.00 H new ATOM 0 HD1 TYR B 41 17.415 2.921 5.771 1.00 0.00 H new ATOM 0 HD2 TYR B 41 13.807 0.652 5.779 1.00 0.00 H new ATOM 0 HE1 TYR B 41 16.582 4.253 7.658 1.00 0.00 H new ATOM 0 HE2 TYR B 41 12.974 1.988 7.665 1.00 0.00 H new ATOM 0 HH TYR B 41 13.365 3.638 9.078 1.00 0.00 H new ATOM 2160 N LYS B 42 17.366 -0.563 6.962 1.00 0.00 N ATOM 2161 CA LYS B 42 17.285 -1.577 8.010 1.00 0.00 C ATOM 2162 C LYS B 42 18.559 -2.416 8.057 1.00 0.00 C ATOM 2163 O LYS B 42 18.655 -3.456 7.405 1.00 0.00 O ATOM 2164 CB LYS B 42 16.069 -2.481 7.788 1.00 0.00 C ATOM 2165 CG LYS B 42 15.191 -2.641 9.020 1.00 0.00 C ATOM 2166 CD LYS B 42 15.949 -3.281 10.173 1.00 0.00 C ATOM 2167 CE LYS B 42 15.065 -3.439 11.399 1.00 0.00 C ATOM 2168 NZ LYS B 42 15.808 -4.027 12.548 1.00 0.00 N ATOM 0 H LYS B 42 17.290 0.396 7.301 1.00 0.00 H new ATOM 0 HA LYS B 42 17.174 -1.065 8.966 1.00 0.00 H new ATOM 0 HB2 LYS B 42 15.468 -2.073 6.975 1.00 0.00 H new ATOM 0 HB3 LYS B 42 16.413 -3.465 7.468 1.00 0.00 H new ATOM 0 HG2 LYS B 42 14.816 -1.665 9.328 1.00 0.00 H new ATOM 0 HG3 LYS B 42 14.323 -3.252 8.771 1.00 0.00 H new ATOM 0 HD2 LYS B 42 16.325 -4.257 9.866 1.00 0.00 H new ATOM 0 HD3 LYS B 42 16.816 -2.670 10.424 1.00 0.00 H new ATOM 0 HE2 LYS B 42 14.664 -2.467 11.685 1.00 0.00 H new ATOM 0 HE3 LYS B 42 14.214 -4.075 11.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 15.170 -4.118 13.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 16.169 -4.966 12.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 16.605 -3.408 12.799 1.00 0.00 H new ATOM 2182 N CYS B 43 19.536 -1.955 8.833 1.00 0.00 N ATOM 2183 CA CYS B 43 20.806 -2.660 8.964 1.00 0.00 C ATOM 2184 C CYS B 43 21.347 -2.546 10.386 1.00 0.00 C ATOM 2185 O CYS B 43 22.063 -1.562 10.670 1.00 0.00 O ATOM 2186 CB CYS B 43 21.827 -2.103 7.970 1.00 0.00 C ATOM 2187 SG CYS B 43 23.453 -2.887 8.066 1.00 0.00 S ATOM 2188 OXT CYS B 43 21.050 -3.441 11.205 1.00 0.00 O ATOM 0 H CYS B 43 19.472 -1.097 9.380 1.00 0.00 H new ATOM 0 HA CYS B 43 20.633 -3.714 8.744 1.00 0.00 H new ATOM 0 HB2 CYS B 43 21.437 -2.223 6.959 1.00 0.00 H new ATOM 0 HB3 CYS B 43 21.941 -1.033 8.143 1.00 0.00 H new ATOM 0 HG CYS B 43 24.246 -2.351 7.187 1.00 0.00 H new TER 2194 CYS B 43