USER MOD reduce.3.24.130724 H: found=0, std=0, add=1093, rem=0, adj=53 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 822 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 823 LYS NZ :NH3+ -164:sc= -2.53! (180deg=-2.99!) USER MOD Set 2.1: A 807 SER OG : rot -166:sc= -0.123 USER MOD Set 2.2: A 809 TYR OH : rot 171:sc= 1.1 USER MOD Set 3.1: A 799 CYS SG : rot 168:sc= -14.1! USER MOD Set 3.2: A 803 ASN :FLIP amide:sc= -1.45 F(o=-16,f=-16) USER MOD Set 4.1: A 789 MET CE :methyl -119:sc= -11.2! (180deg=-17.9!) USER MOD Set 4.2: A 793 GLN :FLIP amide:sc= -2.04! C(o=-18!,f=-13!) USER MOD Set 5.1: A 773 MET CE :methyl 143:sc= -11.7! (180deg=-13.1!) USER MOD Set 5.2: A 782 TYR OH : rot -23:sc= -5.22! USER MOD Set 6.1: A 744 SER OG : rot -41:sc= 0.504 USER MOD Set 6.2: A 811 LYS NZ :NH3+ 150:sc= 0.0619 (180deg=0) USER MOD Set 6.3: A 812 CYS SG : rot 96:sc= 0.287 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 161:sc= -0.115 (180deg=-0.594) USER MOD Single : A 719 SER OG : rot 180:sc= 0 USER MOD Single : A 720 LYS NZ :NH3+ 135:sc= -0.288 (180deg=-1.04) USER MOD Single : A 727 GLN : amide:sc= -2.21 K(o=-2.2,f=-8.3!) USER MOD Single : A 729 TYR OH : rot 180:sc= -0.0685 USER MOD Single : A 730 SER OG : rot -77:sc= 1.73 USER MOD Single : A 731 THR OG1 : rot 83:sc= 1.15 USER MOD Single : A 733 LYS NZ :NH3+ 164:sc= -0.52 (180deg=-1) USER MOD Single : A 734 SER OG : rot 67:sc= 0.0456 USER MOD Single : A 737 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 738 GLN :FLIP amide:sc= -3.54! C(o=-8.5!,f=-3.5!) USER MOD Single : A 740 LYS NZ :NH3+ 170:sc= -3.6! (180deg=-3.65!) USER MOD Single : A 741 SER OG : rot -23:sc= 0.528 USER MOD Single : A 742 HIS : no HD1:sc= -10.9! C(o=-11!,f=-20!) USER MOD Single : A 743 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 749 MET CE :methyl 158:sc= -2.93 (180deg=-4.43!) USER MOD Single : A 753 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0135) USER MOD Single : A 755 THR OG1 : rot 180:sc= 0 USER MOD Single : A 760 TYR OH : rot 180:sc= -0.16 USER MOD Single : A 761 TYR OH : rot 180:sc= 0 USER MOD Single : A 768 MET CE :methyl -109:sc= -7.37! (180deg=-13.7!) USER MOD Single : A 771 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0499) USER MOD Single : A 772 THR OG1 : rot 45:sc= 0.397 USER MOD Single : A 774 SER OG : rot -21:sc= -0.0472 USER MOD Single : A 778 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0761) USER MOD Single : A 779 ASN :FLIP amide:sc= -3.8! C(o=-8.2!,f=-3.8!) USER MOD Single : A 781 TYR OH : rot 180:sc= -0.844! USER MOD Single : A 784 SER OG : rot 43:sc= 0.803 USER MOD Single : A 785 LYS NZ :NH3+ 156:sc= -0.0985 (180deg=-0.622) USER MOD Single : A 786 LYS NZ :NH3+ -171:sc= -0.0295 (180deg=-0.178) USER MOD Single : A 797 THR OG1 : rot -51:sc= 1.25 USER MOD Single : A 798 ASN : amide:sc= -5.64! C(o=-5.6!,f=-8.2!) USER MOD Single : A 800 LYS NZ :NH3+ 153:sc= -0.214 (180deg=-0.26) USER MOD Single : A 802 TYR OH : rot -22:sc= -1.99 USER MOD Single : A 810 TYR OH : rot 129:sc= 0.213 USER MOD Single : A 814 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 818 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0429) USER MOD Single : A 825 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.194) USER MOD Single : A 832 LYS NZ :NH3+ 145:sc= -1.78! (180deg=-3.71!) USER MOD Single : B 31 SER OG : rot 34:sc= 0.0653 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 HIS : no HE2:sc= -5.52! C(o=-5.5!,f=-7!) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ -165:sc= -0.0263 (180deg=-0.25) USER MOD Single : B 43 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 715 -19.945 5.450 6.848 1.00 0.00 N ATOM 2 CA GLY A 715 -20.297 6.708 7.563 1.00 0.00 C ATOM 3 C GLY A 715 -21.721 6.699 8.083 1.00 0.00 C ATOM 4 O GLY A 715 -22.092 7.532 8.912 1.00 0.00 O ATOM 0 HA2 GLY A 715 -19.610 6.853 8.397 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -20.165 7.555 6.889 1.00 0.00 H new ATOM 10 N SER A 716 -22.521 5.757 7.596 1.00 0.00 N ATOM 11 CA SER A 716 -23.913 5.641 8.016 1.00 0.00 C ATOM 12 C SER A 716 -24.348 4.179 8.057 1.00 0.00 C ATOM 13 O SER A 716 -24.476 3.590 9.131 1.00 0.00 O ATOM 14 CB SER A 716 -24.822 6.430 7.072 1.00 0.00 C ATOM 15 OG SER A 716 -24.489 7.807 7.078 1.00 0.00 O ATOM 0 H SER A 716 -22.229 5.062 6.909 1.00 0.00 H new ATOM 0 HA SER A 716 -23.999 6.056 9.020 1.00 0.00 H new ATOM 0 HB2 SER A 716 -24.732 6.035 6.060 1.00 0.00 H new ATOM 0 HB3 SER A 716 -25.862 6.303 7.372 1.00 0.00 H new ATOM 0 HG SER A 716 -25.083 8.290 6.466 1.00 0.00 H new ATOM 21 N HIS A 717 -24.572 3.600 6.880 1.00 0.00 N ATOM 22 CA HIS A 717 -24.992 2.207 6.777 1.00 0.00 C ATOM 23 C HIS A 717 -24.923 1.726 5.331 1.00 0.00 C ATOM 24 O HIS A 717 -24.369 0.665 5.045 1.00 0.00 O ATOM 25 CB HIS A 717 -26.414 2.038 7.318 1.00 0.00 C ATOM 26 CG HIS A 717 -26.885 0.617 7.334 1.00 0.00 C ATOM 27 ND1 HIS A 717 -26.612 -0.255 8.367 1.00 0.00 N ATOM 28 CD2 HIS A 717 -27.621 -0.083 6.438 1.00 0.00 C ATOM 29 CE1 HIS A 717 -27.156 -1.431 8.104 1.00 0.00 C ATOM 30 NE2 HIS A 717 -27.774 -1.351 6.941 1.00 0.00 N ATOM 0 H HIS A 717 -24.469 4.076 5.984 1.00 0.00 H new ATOM 0 HA HIS A 717 -24.311 1.602 7.376 1.00 0.00 H new ATOM 0 HB2 HIS A 717 -26.458 2.438 8.331 1.00 0.00 H new ATOM 0 HB3 HIS A 717 -27.098 2.632 6.711 1.00 0.00 H new ATOM 0 HD2 HIS A 717 -28.014 0.287 5.503 1.00 0.00 H new ATOM 0 HE1 HIS A 717 -27.104 -2.307 8.733 1.00 0.00 H new ATOM 0 HE2 HIS A 717 -28.284 -2.110 6.488 1.00 0.00 H new ATOM 39 N MET A 718 -25.489 2.517 4.424 1.00 0.00 N ATOM 40 CA MET A 718 -25.492 2.176 3.006 1.00 0.00 C ATOM 41 C MET A 718 -24.961 3.341 2.172 1.00 0.00 C ATOM 42 O MET A 718 -25.646 3.846 1.281 1.00 0.00 O ATOM 43 CB MET A 718 -26.908 1.802 2.556 1.00 0.00 C ATOM 44 CG MET A 718 -26.970 1.205 1.158 1.00 0.00 C ATOM 45 SD MET A 718 -26.030 -0.327 1.011 1.00 0.00 S ATOM 46 CE MET A 718 -26.915 -1.381 2.156 1.00 0.00 C ATOM 0 H MET A 718 -25.951 3.399 4.646 1.00 0.00 H new ATOM 0 HA MET A 718 -24.837 1.318 2.855 1.00 0.00 H new ATOM 0 HB2 MET A 718 -27.328 1.088 3.265 1.00 0.00 H new ATOM 0 HB3 MET A 718 -27.537 2.692 2.589 1.00 0.00 H new ATOM 0 HG2 MET A 718 -28.010 1.014 0.895 1.00 0.00 H new ATOM 0 HG3 MET A 718 -26.588 1.931 0.440 1.00 0.00 H new ATOM 0 HE1 MET A 718 -26.687 -2.425 1.940 1.00 0.00 H new ATOM 0 HE2 MET A 718 -26.610 -1.147 3.176 1.00 0.00 H new ATOM 0 HE3 MET A 718 -27.987 -1.214 2.050 1.00 0.00 H new ATOM 56 N SER A 719 -23.737 3.765 2.474 1.00 0.00 N ATOM 57 CA SER A 719 -23.110 4.870 1.756 1.00 0.00 C ATOM 58 C SER A 719 -21.646 5.021 2.159 1.00 0.00 C ATOM 59 O SER A 719 -21.259 4.671 3.274 1.00 0.00 O ATOM 60 CB SER A 719 -23.858 6.176 2.030 1.00 0.00 C ATOM 61 OG SER A 719 -23.860 6.485 3.413 1.00 0.00 O ATOM 0 H SER A 719 -23.160 3.360 3.211 1.00 0.00 H new ATOM 0 HA SER A 719 -23.157 4.647 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 719 -23.391 6.989 1.474 1.00 0.00 H new ATOM 0 HB3 SER A 719 -24.884 6.093 1.672 1.00 0.00 H new ATOM 0 HG SER A 719 -24.343 7.325 3.560 1.00 0.00 H new ATOM 67 N LYS A 720 -20.838 5.544 1.240 1.00 0.00 N ATOM 68 CA LYS A 720 -19.415 5.752 1.490 1.00 0.00 C ATOM 69 C LYS A 720 -18.719 4.449 1.868 1.00 0.00 C ATOM 70 O LYS A 720 -17.735 4.450 2.608 1.00 0.00 O ATOM 71 CB LYS A 720 -19.214 6.787 2.588 1.00 0.00 C ATOM 72 CG LYS A 720 -19.838 8.143 2.285 1.00 0.00 C ATOM 73 CD LYS A 720 -18.983 8.962 1.327 1.00 0.00 C ATOM 74 CE LYS A 720 -19.316 8.662 -0.127 1.00 0.00 C ATOM 75 NZ LYS A 720 -20.757 8.888 -0.424 1.00 0.00 N ATOM 0 H LYS A 720 -21.147 5.832 0.312 1.00 0.00 H new ATOM 0 HA LYS A 720 -18.968 6.119 0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -19.637 6.403 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -18.145 6.920 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -20.829 7.998 1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -19.973 8.696 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -19.134 10.024 1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -17.929 8.751 1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -18.708 9.292 -0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -19.057 7.628 -0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -20.849 9.410 -1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -21.242 7.972 -0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -21.187 9.441 0.345 1.00 0.00 H new ATOM 89 N GLU A 721 -19.234 3.336 1.351 1.00 0.00 N ATOM 90 CA GLU A 721 -18.659 2.023 1.630 1.00 0.00 C ATOM 91 C GLU A 721 -19.279 0.959 0.732 1.00 0.00 C ATOM 92 O GLU A 721 -20.443 0.590 0.889 1.00 0.00 O ATOM 93 CB GLU A 721 -18.855 1.653 3.102 1.00 0.00 C ATOM 94 CG GLU A 721 -18.159 0.363 3.503 1.00 0.00 C ATOM 95 CD GLU A 721 -18.355 0.026 4.969 1.00 0.00 C ATOM 96 OE1 GLU A 721 -17.534 0.474 5.795 1.00 0.00 O ATOM 97 OE2 GLU A 721 -19.329 -0.687 5.289 1.00 0.00 O ATOM 0 H GLU A 721 -20.048 3.317 0.737 1.00 0.00 H new ATOM 0 HA GLU A 721 -17.590 2.070 1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 721 -18.482 2.466 3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 721 -19.922 1.559 3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 721 -18.539 -0.456 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 721 -17.093 0.449 3.293 1.00 0.00 H new ATOM 104 N PRO A 722 -18.487 0.459 -0.227 1.00 0.00 N ATOM 105 CA PRO A 722 -18.919 -0.561 -1.175 1.00 0.00 C ATOM 106 C PRO A 722 -19.340 -1.845 -0.477 1.00 0.00 C ATOM 107 O PRO A 722 -20.318 -2.481 -0.869 1.00 0.00 O ATOM 108 CB PRO A 722 -17.699 -0.788 -2.062 1.00 0.00 C ATOM 109 CG PRO A 722 -16.564 -0.185 -1.345 1.00 0.00 C ATOM 110 CD PRO A 722 -17.104 0.863 -0.450 1.00 0.00 C ATOM 0 HA PRO A 722 -19.796 -0.247 -1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 722 -17.533 -1.852 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 722 -17.835 -0.325 -3.039 1.00 0.00 H new ATOM 0 HG2 PRO A 722 -16.029 -0.941 -0.770 1.00 0.00 H new ATOM 0 HG3 PRO A 722 -15.851 0.243 -2.049 1.00 0.00 H new ATOM 0 HD2 PRO A 722 -16.547 0.914 0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 722 -17.046 1.849 -0.910 1.00 0.00 H new ATOM 118 N ARG A 723 -18.599 -2.214 0.566 1.00 0.00 N ATOM 119 CA ARG A 723 -18.890 -3.420 1.334 1.00 0.00 C ATOM 120 C ARG A 723 -18.924 -4.653 0.437 1.00 0.00 C ATOM 121 O ARG A 723 -18.819 -4.548 -0.783 1.00 0.00 O ATOM 122 CB ARG A 723 -20.225 -3.273 2.067 1.00 0.00 C ATOM 123 CG ARG A 723 -20.096 -3.253 3.581 1.00 0.00 C ATOM 124 CD ARG A 723 -19.616 -4.592 4.120 1.00 0.00 C ATOM 125 NE ARG A 723 -19.547 -4.601 5.580 1.00 0.00 N ATOM 126 CZ ARG A 723 -18.951 -5.558 6.286 1.00 0.00 C ATOM 127 NH1 ARG A 723 -18.367 -6.576 5.669 1.00 0.00 N ATOM 128 NH2 ARG A 723 -18.937 -5.495 7.610 1.00 0.00 N ATOM 0 H ARG A 723 -17.789 -1.691 0.899 1.00 0.00 H new ATOM 0 HA ARG A 723 -18.091 -3.551 2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 723 -20.708 -2.352 1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 723 -20.879 -4.096 1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 723 -19.398 -2.470 3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 723 -21.060 -3.006 4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 723 -20.289 -5.381 3.784 1.00 0.00 H new ATOM 0 HD3 ARG A 723 -18.632 -4.817 3.709 1.00 0.00 H new ATOM 0 HE ARG A 723 -19.981 -3.829 6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 723 -18.374 -6.627 4.650 1.00 0.00 H new ATOM 0 HH12 ARG A 723 -17.911 -7.308 6.213 1.00 0.00 H new ATOM 0 HH21 ARG A 723 -19.383 -4.712 8.088 1.00 0.00 H new ATOM 0 HH22 ARG A 723 -18.480 -6.229 8.151 1.00 0.00 H new ATOM 142 N ASP A 724 -19.072 -5.822 1.053 1.00 0.00 N ATOM 143 CA ASP A 724 -19.125 -7.083 0.320 1.00 0.00 C ATOM 144 C ASP A 724 -17.837 -7.335 -0.460 1.00 0.00 C ATOM 145 O ASP A 724 -17.280 -6.445 -1.100 1.00 0.00 O ATOM 146 CB ASP A 724 -20.333 -7.115 -0.612 1.00 0.00 C ATOM 147 CG ASP A 724 -20.320 -8.286 -1.571 1.00 0.00 C ATOM 148 OD1 ASP A 724 -20.695 -9.403 -1.154 1.00 0.00 O ATOM 149 OD2 ASP A 724 -19.952 -8.085 -2.744 1.00 0.00 O ATOM 0 H ASP A 724 -19.158 -5.922 2.064 1.00 0.00 H new ATOM 0 HA ASP A 724 -19.229 -7.884 1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 724 -21.243 -7.155 -0.014 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -20.367 -6.187 -1.183 1.00 0.00 H new ATOM 154 N PRO A 725 -17.366 -8.581 -0.398 1.00 0.00 N ATOM 155 CA PRO A 725 -16.139 -9.019 -1.055 1.00 0.00 C ATOM 156 C PRO A 725 -16.150 -8.839 -2.567 1.00 0.00 C ATOM 157 O PRO A 725 -15.093 -8.792 -3.187 1.00 0.00 O ATOM 158 CB PRO A 725 -16.043 -10.508 -0.701 1.00 0.00 C ATOM 159 CG PRO A 725 -17.397 -10.894 -0.225 1.00 0.00 C ATOM 160 CD PRO A 725 -18.010 -9.659 0.342 1.00 0.00 C ATOM 0 HA PRO A 725 -15.291 -8.423 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 725 -15.749 -11.099 -1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 725 -15.293 -10.680 0.071 1.00 0.00 H new ATOM 0 HG2 PRO A 725 -18.000 -11.286 -1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 725 -17.335 -11.679 0.529 1.00 0.00 H new ATOM 0 HD2 PRO A 725 -19.091 -9.649 0.204 1.00 0.00 H new ATOM 0 HD3 PRO A 725 -17.825 -9.576 1.413 1.00 0.00 H new ATOM 168 N ASP A 726 -17.334 -8.739 -3.159 1.00 0.00 N ATOM 169 CA ASP A 726 -17.448 -8.576 -4.607 1.00 0.00 C ATOM 170 C ASP A 726 -17.502 -7.104 -4.989 1.00 0.00 C ATOM 171 O ASP A 726 -16.768 -6.670 -5.877 1.00 0.00 O ATOM 172 CB ASP A 726 -18.681 -9.309 -5.143 1.00 0.00 C ATOM 173 CG ASP A 726 -18.862 -9.119 -6.636 1.00 0.00 C ATOM 174 OD1 ASP A 726 -18.290 -9.914 -7.410 1.00 0.00 O ATOM 175 OD2 ASP A 726 -19.578 -8.175 -7.032 1.00 0.00 O ATOM 0 H ASP A 726 -18.225 -8.767 -2.664 1.00 0.00 H new ATOM 0 HA ASP A 726 -16.560 -9.015 -5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -18.592 -10.373 -4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -19.569 -8.949 -4.623 1.00 0.00 H new ATOM 180 N GLN A 727 -18.374 -6.331 -4.335 1.00 0.00 N ATOM 181 CA GLN A 727 -18.459 -4.910 -4.640 1.00 0.00 C ATOM 182 C GLN A 727 -17.079 -4.306 -4.507 1.00 0.00 C ATOM 183 O GLN A 727 -16.642 -3.543 -5.356 1.00 0.00 O ATOM 184 CB GLN A 727 -19.450 -4.182 -3.747 1.00 0.00 C ATOM 185 CG GLN A 727 -20.795 -4.858 -3.674 1.00 0.00 C ATOM 186 CD GLN A 727 -21.737 -4.208 -2.681 1.00 0.00 C ATOM 187 OE1 GLN A 727 -21.779 -4.581 -1.509 1.00 0.00 O ATOM 188 NE2 GLN A 727 -22.504 -3.228 -3.146 1.00 0.00 N ATOM 0 H GLN A 727 -19.013 -6.659 -3.611 1.00 0.00 H new ATOM 0 HA GLN A 727 -18.826 -4.797 -5.660 1.00 0.00 H new ATOM 0 HB2 GLN A 727 -19.035 -4.105 -2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 727 -19.582 -3.165 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 727 -21.255 -4.846 -4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 727 -20.654 -5.904 -3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 727 -22.438 -2.949 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 727 -23.159 -2.754 -2.524 1.00 0.00 H new ATOM 197 N LEU A 728 -16.386 -4.704 -3.443 1.00 0.00 N ATOM 198 CA LEU A 728 -15.034 -4.242 -3.175 1.00 0.00 C ATOM 199 C LEU A 728 -14.080 -4.829 -4.186 1.00 0.00 C ATOM 200 O LEU A 728 -13.387 -4.107 -4.879 1.00 0.00 O ATOM 201 CB LEU A 728 -14.608 -4.660 -1.777 1.00 0.00 C ATOM 202 CG LEU A 728 -15.054 -3.723 -0.673 1.00 0.00 C ATOM 203 CD1 LEU A 728 -14.999 -4.417 0.676 1.00 0.00 C ATOM 204 CD2 LEU A 728 -14.154 -2.508 -0.695 1.00 0.00 C ATOM 0 H LEU A 728 -16.748 -5.355 -2.746 1.00 0.00 H new ATOM 0 HA LEU A 728 -15.015 -3.155 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 728 -15.005 -5.655 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 728 -13.521 -4.739 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 728 -16.088 -3.419 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 728 -15.323 -3.726 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 728 -15.657 -5.286 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 728 -13.977 -4.738 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 728 -14.456 -1.817 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 728 -13.122 -2.817 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 728 -14.235 -2.013 -1.663 1.00 0.00 H new ATOM 216 N TYR A 729 -14.075 -6.143 -4.290 1.00 0.00 N ATOM 217 CA TYR A 729 -13.199 -6.816 -5.222 1.00 0.00 C ATOM 218 C TYR A 729 -13.045 -6.013 -6.484 1.00 0.00 C ATOM 219 O TYR A 729 -11.952 -5.542 -6.777 1.00 0.00 O ATOM 220 CB TYR A 729 -13.778 -8.193 -5.542 1.00 0.00 C ATOM 221 CG TYR A 729 -13.547 -8.697 -6.941 1.00 0.00 C ATOM 222 CD1 TYR A 729 -12.274 -8.800 -7.400 1.00 0.00 C ATOM 223 CD2 TYR A 729 -14.582 -9.115 -7.764 1.00 0.00 C ATOM 224 CE1 TYR A 729 -11.982 -9.294 -8.644 1.00 0.00 C ATOM 225 CE2 TYR A 729 -14.321 -9.611 -9.031 1.00 0.00 C ATOM 226 CZ TYR A 729 -13.012 -9.700 -9.468 1.00 0.00 C ATOM 227 OH TYR A 729 -12.736 -10.200 -10.720 1.00 0.00 O ATOM 0 H TYR A 729 -14.668 -6.764 -3.740 1.00 0.00 H new ATOM 0 HA TYR A 729 -12.213 -6.926 -4.771 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -13.355 -8.914 -4.843 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -14.852 -8.165 -5.360 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -11.463 -8.481 -6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -15.602 -9.053 -7.414 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -10.957 -9.365 -8.976 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -15.132 -9.925 -9.671 1.00 0.00 H new ATOM 0 HH TYR A 729 -13.574 -10.440 -11.168 1.00 0.00 H new ATOM 237 N SER A 730 -14.117 -5.788 -7.202 1.00 0.00 N ATOM 238 CA SER A 730 -13.989 -5.066 -8.411 1.00 0.00 C ATOM 239 C SER A 730 -14.022 -3.555 -8.207 1.00 0.00 C ATOM 240 O SER A 730 -13.616 -2.805 -9.096 1.00 0.00 O ATOM 241 CB SER A 730 -14.964 -5.558 -9.426 1.00 0.00 C ATOM 242 OG SER A 730 -15.629 -6.725 -8.984 1.00 0.00 O ATOM 0 H SER A 730 -15.061 -6.092 -6.965 1.00 0.00 H new ATOM 0 HA SER A 730 -12.994 -5.261 -8.811 1.00 0.00 H new ATOM 0 HB2 SER A 730 -15.696 -4.778 -9.636 1.00 0.00 H new ATOM 0 HB3 SER A 730 -14.443 -5.767 -10.361 1.00 0.00 H new ATOM 0 HG SER A 730 -15.032 -7.497 -9.076 1.00 0.00 H new ATOM 248 N THR A 731 -14.516 -3.091 -7.056 1.00 0.00 N ATOM 249 CA THR A 731 -14.497 -1.656 -6.792 1.00 0.00 C ATOM 250 C THR A 731 -13.056 -1.290 -6.787 1.00 0.00 C ATOM 251 O THR A 731 -12.564 -0.518 -7.606 1.00 0.00 O ATOM 252 CB THR A 731 -15.107 -1.289 -5.420 1.00 0.00 C ATOM 253 OG1 THR A 731 -16.521 -1.096 -5.551 1.00 0.00 O ATOM 254 CG2 THR A 731 -14.478 -0.024 -4.839 1.00 0.00 C ATOM 0 H THR A 731 -14.920 -3.667 -6.317 1.00 0.00 H new ATOM 0 HA THR A 731 -15.089 -1.129 -7.540 1.00 0.00 H new ATOM 0 HB THR A 731 -14.902 -2.115 -4.739 1.00 0.00 H new ATOM 0 HG1 THR A 731 -16.974 -1.964 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 731 -14.934 0.199 -3.875 1.00 0.00 H new ATOM 0 HG22 THR A 731 -13.407 -0.178 -4.707 1.00 0.00 H new ATOM 0 HG23 THR A 731 -14.643 0.810 -5.521 1.00 0.00 H new ATOM 262 N LEU A 732 -12.405 -1.932 -5.855 1.00 0.00 N ATOM 263 CA LEU A 732 -11.002 -1.828 -5.648 1.00 0.00 C ATOM 264 C LEU A 732 -10.267 -2.193 -6.930 1.00 0.00 C ATOM 265 O LEU A 732 -9.204 -1.661 -7.216 1.00 0.00 O ATOM 266 CB LEU A 732 -10.617 -2.784 -4.542 1.00 0.00 C ATOM 267 CG LEU A 732 -11.518 -2.819 -3.311 1.00 0.00 C ATOM 268 CD1 LEU A 732 -11.396 -4.156 -2.644 1.00 0.00 C ATOM 269 CD2 LEU A 732 -11.144 -1.731 -2.343 1.00 0.00 C ATOM 0 H LEU A 732 -12.863 -2.564 -5.198 1.00 0.00 H new ATOM 0 HA LEU A 732 -10.733 -0.808 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 732 -10.578 -3.789 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 732 -9.607 -2.535 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 732 -12.549 -2.656 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 732 -12.039 -4.184 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 732 -11.699 -4.939 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 732 -10.361 -4.319 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 732 -11.800 -1.776 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 732 -10.110 -1.867 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 732 -11.250 -0.760 -2.828 1.00 0.00 H new ATOM 281 N LYS A 733 -10.847 -3.118 -7.697 1.00 0.00 N ATOM 282 CA LYS A 733 -10.249 -3.535 -8.962 1.00 0.00 C ATOM 283 C LYS A 733 -10.026 -2.311 -9.821 1.00 0.00 C ATOM 284 O LYS A 733 -9.106 -2.256 -10.628 1.00 0.00 O ATOM 285 CB LYS A 733 -11.158 -4.533 -9.682 1.00 0.00 C ATOM 286 CG LYS A 733 -10.639 -5.024 -11.018 1.00 0.00 C ATOM 287 CD LYS A 733 -11.074 -6.457 -11.284 1.00 0.00 C ATOM 288 CE LYS A 733 -12.527 -6.544 -11.696 1.00 0.00 C ATOM 289 NZ LYS A 733 -12.984 -5.328 -12.424 1.00 0.00 N ATOM 0 H LYS A 733 -11.722 -3.588 -7.465 1.00 0.00 H new ATOM 0 HA LYS A 733 -9.296 -4.028 -8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 733 -11.314 -5.394 -9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -12.132 -4.069 -9.836 1.00 0.00 H new ATOM 0 HG2 LYS A 733 -11.006 -4.376 -11.814 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -9.551 -4.963 -11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -10.449 -6.885 -12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -10.916 -7.056 -10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 733 -12.670 -7.419 -12.330 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -13.145 -6.688 -10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 -13.877 -5.533 -12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 -13.132 -4.553 -11.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 -12.263 -5.048 -13.119 1.00 0.00 H new ATOM 303 N SER A 734 -10.865 -1.313 -9.591 1.00 0.00 N ATOM 304 CA SER A 734 -10.792 -0.061 -10.332 1.00 0.00 C ATOM 305 C SER A 734 -9.814 0.871 -9.651 1.00 0.00 C ATOM 306 O SER A 734 -8.943 1.438 -10.310 1.00 0.00 O ATOM 307 CB SER A 734 -12.169 0.594 -10.439 1.00 0.00 C ATOM 308 OG SER A 734 -13.096 -0.266 -11.078 1.00 0.00 O ATOM 0 H SER A 734 -11.609 -1.345 -8.893 1.00 0.00 H new ATOM 0 HA SER A 734 -10.445 -0.272 -11.344 1.00 0.00 H new ATOM 0 HB2 SER A 734 -12.532 0.849 -9.443 1.00 0.00 H new ATOM 0 HB3 SER A 734 -12.089 1.527 -10.998 1.00 0.00 H new ATOM 0 HG SER A 734 -13.271 -1.042 -10.505 1.00 0.00 H new ATOM 314 N ILE A 735 -9.961 1.054 -8.334 1.00 0.00 N ATOM 315 CA ILE A 735 -9.027 1.891 -7.617 1.00 0.00 C ATOM 316 C ILE A 735 -7.636 1.404 -7.954 1.00 0.00 C ATOM 317 O ILE A 735 -6.873 2.107 -8.596 1.00 0.00 O ATOM 318 CB ILE A 735 -9.256 1.887 -6.095 1.00 0.00 C ATOM 319 CG1 ILE A 735 -10.646 2.428 -5.817 1.00 0.00 C ATOM 320 CG2 ILE A 735 -8.215 2.771 -5.401 1.00 0.00 C ATOM 321 CD1 ILE A 735 -11.708 1.388 -5.821 1.00 0.00 C ATOM 0 H ILE A 735 -10.701 0.641 -7.766 1.00 0.00 H new ATOM 0 HA ILE A 735 -9.170 2.927 -7.926 1.00 0.00 H new ATOM 0 HB ILE A 735 -9.161 0.871 -5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 735 -10.644 2.928 -4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 735 -10.888 3.183 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 735 -8.388 2.760 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 735 -7.216 2.390 -5.612 1.00 0.00 H new ATOM 0 HG23 ILE A 735 -8.300 3.793 -5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 735 -12.672 1.852 -5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 735 -11.739 0.904 -6.797 1.00 0.00 H new ATOM 0 HD13 ILE A 735 -11.492 0.644 -5.054 1.00 0.00 H new ATOM 333 N LEU A 736 -7.352 0.161 -7.579 1.00 0.00 N ATOM 334 CA LEU A 736 -6.070 -0.464 -7.879 1.00 0.00 C ATOM 335 C LEU A 736 -5.654 -0.134 -9.293 1.00 0.00 C ATOM 336 O LEU A 736 -4.594 0.438 -9.532 1.00 0.00 O ATOM 337 CB LEU A 736 -6.180 -1.983 -7.745 1.00 0.00 C ATOM 338 CG LEU A 736 -5.131 -2.615 -6.862 1.00 0.00 C ATOM 339 CD1 LEU A 736 -5.385 -4.085 -6.816 1.00 0.00 C ATOM 340 CD2 LEU A 736 -3.738 -2.280 -7.333 1.00 0.00 C ATOM 0 H LEU A 736 -7.998 -0.436 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 736 -5.329 -0.085 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -7.165 -2.229 -7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -6.116 -2.428 -8.738 1.00 0.00 H new ATOM 0 HG LEU A 736 -5.199 -2.213 -5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -4.638 -4.564 -6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -6.379 -4.270 -6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -5.324 -4.496 -7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -3.008 -2.751 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -3.600 -2.647 -8.350 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -3.598 -1.199 -7.315 1.00 0.00 H new ATOM 352 N GLN A 737 -6.511 -0.520 -10.221 1.00 0.00 N ATOM 353 CA GLN A 737 -6.292 -0.272 -11.634 1.00 0.00 C ATOM 354 C GLN A 737 -5.807 1.152 -11.868 1.00 0.00 C ATOM 355 O GLN A 737 -4.921 1.399 -12.683 1.00 0.00 O ATOM 356 CB GLN A 737 -7.595 -0.520 -12.398 1.00 0.00 C ATOM 357 CG GLN A 737 -7.656 -1.872 -13.080 1.00 0.00 C ATOM 358 CD GLN A 737 -8.480 -1.851 -14.353 1.00 0.00 C ATOM 359 OE1 GLN A 737 -7.960 -1.591 -15.438 1.00 0.00 O ATOM 360 NE2 GLN A 737 -9.772 -2.127 -14.226 1.00 0.00 N ATOM 0 H GLN A 737 -7.379 -1.015 -10.016 1.00 0.00 H new ATOM 0 HA GLN A 737 -5.521 -0.952 -11.996 1.00 0.00 H new ATOM 0 HB2 GLN A 737 -8.433 -0.434 -11.706 1.00 0.00 H new ATOM 0 HB3 GLN A 737 -7.720 0.261 -13.148 1.00 0.00 H new ATOM 0 HG2 GLN A 737 -6.644 -2.202 -13.313 1.00 0.00 H new ATOM 0 HG3 GLN A 737 -8.079 -2.603 -12.391 1.00 0.00 H new ATOM 0 HE21 GLN A 737 -10.161 -2.337 -13.307 1.00 0.00 H new ATOM 0 HE22 GLN A 737 -10.376 -2.129 -15.048 1.00 0.00 H new ATOM 369 N GLN A 738 -6.376 2.074 -11.113 1.00 0.00 N ATOM 370 CA GLN A 738 -6.048 3.486 -11.225 1.00 0.00 C ATOM 371 C GLN A 738 -4.737 3.847 -10.517 1.00 0.00 C ATOM 372 O GLN A 738 -3.813 4.369 -11.140 1.00 0.00 O ATOM 373 CB GLN A 738 -7.202 4.298 -10.649 1.00 0.00 C ATOM 374 CG GLN A 738 -8.457 4.204 -11.496 1.00 0.00 C ATOM 375 CD GLN A 738 -9.699 4.665 -10.762 1.00 0.00 C ATOM 376 OE1 GLN A 738 -9.731 4.433 -9.457 1.00 0.00 O flip ATOM 377 NE2 GLN A 738 -10.622 5.215 -11.363 1.00 0.00 N flip ATOM 0 H GLN A 738 -7.079 1.866 -10.404 1.00 0.00 H new ATOM 0 HA GLN A 738 -5.901 3.719 -12.280 1.00 0.00 H new ATOM 0 HB2 GLN A 738 -7.421 3.948 -9.640 1.00 0.00 H new ATOM 0 HB3 GLN A 738 -6.901 5.342 -10.565 1.00 0.00 H new ATOM 0 HG2 GLN A 738 -8.328 4.806 -12.395 1.00 0.00 H new ATOM 0 HG3 GLN A 738 -8.594 3.172 -11.820 1.00 0.00 H new ATOM 0 HE21 GLN A 738 -10.553 5.373 -12.368 1.00 0.00 H new ATOM 0 HE22 GLN A 738 -11.455 5.513 -10.856 1.00 0.00 H new ATOM 386 N VAL A 739 -4.670 3.572 -9.217 1.00 0.00 N ATOM 387 CA VAL A 739 -3.506 3.869 -8.414 1.00 0.00 C ATOM 388 C VAL A 739 -2.256 3.274 -9.030 1.00 0.00 C ATOM 389 O VAL A 739 -1.187 3.858 -8.941 1.00 0.00 O ATOM 390 CB VAL A 739 -3.662 3.328 -6.972 1.00 0.00 C ATOM 391 CG1 VAL A 739 -5.097 3.013 -6.622 1.00 0.00 C ATOM 392 CG2 VAL A 739 -2.777 2.129 -6.766 1.00 0.00 C ATOM 0 H VAL A 739 -5.430 3.135 -8.696 1.00 0.00 H new ATOM 0 HA VAL A 739 -3.413 4.954 -8.379 1.00 0.00 H new ATOM 0 HB VAL A 739 -3.347 4.120 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 739 -5.148 2.637 -5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 739 -5.699 3.918 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 739 -5.481 2.256 -7.306 1.00 0.00 H new ATOM 0 HG21 VAL A 739 -2.897 1.759 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 739 -3.055 1.346 -7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 739 -1.737 2.412 -6.929 1.00 0.00 H new ATOM 402 N LYS A 740 -2.386 2.098 -9.630 1.00 0.00 N ATOM 403 CA LYS A 740 -1.240 1.459 -10.242 1.00 0.00 C ATOM 404 C LYS A 740 -1.024 2.018 -11.626 1.00 0.00 C ATOM 405 O LYS A 740 0.088 2.031 -12.118 1.00 0.00 O ATOM 406 CB LYS A 740 -1.389 -0.042 -10.313 1.00 0.00 C ATOM 407 CG LYS A 740 -2.294 -0.453 -11.412 1.00 0.00 C ATOM 408 CD LYS A 740 -3.060 -1.721 -11.074 1.00 0.00 C ATOM 409 CE LYS A 740 -2.266 -2.971 -11.434 1.00 0.00 C ATOM 410 NZ LYS A 740 -0.795 -2.760 -11.327 1.00 0.00 N ATOM 0 H LYS A 740 -3.260 1.578 -9.703 1.00 0.00 H new ATOM 0 HA LYS A 740 -0.374 1.670 -9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -0.410 -0.498 -10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -1.776 -0.414 -9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -2.999 0.352 -11.621 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -1.713 -0.612 -12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -3.294 -1.732 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -4.010 -1.726 -11.609 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -2.562 -3.788 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -2.514 -3.275 -12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -0.306 -3.674 -11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -0.479 -2.124 -12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -0.571 -2.335 -10.405 1.00 0.00 H new ATOM 424 N SER A 741 -2.097 2.446 -12.276 1.00 0.00 N ATOM 425 CA SER A 741 -1.955 3.040 -13.586 1.00 0.00 C ATOM 426 C SER A 741 -1.394 4.441 -13.417 1.00 0.00 C ATOM 427 O SER A 741 -1.097 5.141 -14.384 1.00 0.00 O ATOM 428 CB SER A 741 -3.289 3.095 -14.322 1.00 0.00 C ATOM 429 OG SER A 741 -4.158 4.050 -13.739 1.00 0.00 O ATOM 0 H SER A 741 -3.053 2.393 -11.923 1.00 0.00 H new ATOM 0 HA SER A 741 -1.280 2.428 -14.184 1.00 0.00 H new ATOM 0 HB2 SER A 741 -3.119 3.346 -15.369 1.00 0.00 H new ATOM 0 HB3 SER A 741 -3.759 2.112 -14.302 1.00 0.00 H new ATOM 0 HG SER A 741 -3.893 4.209 -12.809 1.00 0.00 H new ATOM 435 N HIS A 742 -1.261 4.827 -12.151 1.00 0.00 N ATOM 436 CA HIS A 742 -0.751 6.131 -11.779 1.00 0.00 C ATOM 437 C HIS A 742 0.709 6.303 -12.204 1.00 0.00 C ATOM 438 O HIS A 742 1.503 5.367 -12.163 1.00 0.00 O ATOM 439 CB HIS A 742 -0.899 6.324 -10.258 1.00 0.00 C ATOM 440 CG HIS A 742 -0.514 7.688 -9.772 1.00 0.00 C ATOM 441 ND1 HIS A 742 0.465 8.456 -10.356 1.00 0.00 N ATOM 442 CD2 HIS A 742 -0.998 8.425 -8.754 1.00 0.00 C ATOM 443 CE1 HIS A 742 0.571 9.600 -9.724 1.00 0.00 C ATOM 444 NE2 HIS A 742 -0.309 9.614 -8.744 1.00 0.00 N ATOM 0 H HIS A 742 -1.507 4.237 -11.356 1.00 0.00 H new ATOM 0 HA HIS A 742 -1.332 6.892 -12.299 1.00 0.00 H new ATOM 0 HB2 HIS A 742 -1.934 6.129 -9.977 1.00 0.00 H new ATOM 0 HB3 HIS A 742 -0.285 5.582 -9.747 1.00 0.00 H new ATOM 0 HD2 HIS A 742 -1.783 8.135 -8.071 1.00 0.00 H new ATOM 0 HE1 HIS A 742 1.261 10.395 -9.966 1.00 0.00 H new ATOM 0 HE2 HIS A 742 -0.455 10.380 -8.087 1.00 0.00 H new ATOM 453 N GLN A 743 1.029 7.516 -12.638 1.00 0.00 N ATOM 454 CA GLN A 743 2.369 7.892 -13.056 1.00 0.00 C ATOM 455 C GLN A 743 3.397 7.702 -11.925 1.00 0.00 C ATOM 456 O GLN A 743 4.605 7.753 -12.156 1.00 0.00 O ATOM 457 CB GLN A 743 2.323 9.348 -13.506 1.00 0.00 C ATOM 458 CG GLN A 743 3.675 10.008 -13.555 1.00 0.00 C ATOM 459 CD GLN A 743 3.614 11.456 -14.002 1.00 0.00 C ATOM 460 OE1 GLN A 743 2.626 12.151 -13.763 1.00 0.00 O ATOM 461 NE2 GLN A 743 4.672 11.918 -14.659 1.00 0.00 N ATOM 0 H GLN A 743 0.353 8.276 -12.710 1.00 0.00 H new ATOM 0 HA GLN A 743 2.690 7.247 -13.874 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.867 9.399 -14.495 1.00 0.00 H new ATOM 0 HB3 GLN A 743 1.679 9.909 -12.828 1.00 0.00 H new ATOM 0 HG2 GLN A 743 4.133 9.958 -12.567 1.00 0.00 H new ATOM 0 HG3 GLN A 743 4.320 9.451 -14.234 1.00 0.00 H new ATOM 0 HE21 GLN A 743 5.470 11.307 -14.835 1.00 0.00 H new ATOM 0 HE22 GLN A 743 4.687 12.884 -14.987 1.00 0.00 H new ATOM 470 N SER A 744 2.907 7.472 -10.712 1.00 0.00 N ATOM 471 CA SER A 744 3.763 7.275 -9.541 1.00 0.00 C ATOM 472 C SER A 744 3.683 5.843 -9.074 1.00 0.00 C ATOM 473 O SER A 744 4.175 5.488 -8.003 1.00 0.00 O ATOM 474 CB SER A 744 3.321 8.202 -8.404 1.00 0.00 C ATOM 475 OG SER A 744 3.935 9.475 -8.510 1.00 0.00 O ATOM 0 H SER A 744 1.909 7.416 -10.510 1.00 0.00 H new ATOM 0 HA SER A 744 4.791 7.508 -9.820 1.00 0.00 H new ATOM 0 HB2 SER A 744 2.237 8.316 -8.425 1.00 0.00 H new ATOM 0 HB3 SER A 744 3.576 7.752 -7.445 1.00 0.00 H new ATOM 0 HG SER A 744 4.872 9.365 -8.777 1.00 0.00 H new ATOM 481 N ALA A 745 3.057 5.032 -9.891 1.00 0.00 N ATOM 482 CA ALA A 745 2.852 3.643 -9.569 1.00 0.00 C ATOM 483 C ALA A 745 3.824 2.694 -10.260 1.00 0.00 C ATOM 484 O ALA A 745 3.767 1.498 -10.018 1.00 0.00 O ATOM 485 CB ALA A 745 1.431 3.280 -9.938 1.00 0.00 C ATOM 0 H ALA A 745 2.677 5.315 -10.794 1.00 0.00 H new ATOM 0 HA ALA A 745 3.037 3.525 -8.501 1.00 0.00 H new ATOM 0 HB1 ALA A 745 1.251 2.231 -9.703 1.00 0.00 H new ATOM 0 HB2 ALA A 745 0.738 3.903 -9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 745 1.279 3.444 -11.005 1.00 0.00 H new ATOM 491 N TRP A 746 4.712 3.195 -11.110 1.00 0.00 N ATOM 492 CA TRP A 746 5.632 2.297 -11.807 1.00 0.00 C ATOM 493 C TRP A 746 6.567 1.526 -10.858 1.00 0.00 C ATOM 494 O TRP A 746 6.913 0.383 -11.158 1.00 0.00 O ATOM 495 CB TRP A 746 6.421 3.019 -12.902 1.00 0.00 C ATOM 496 CG TRP A 746 7.061 4.290 -12.464 1.00 0.00 C ATOM 497 CD1 TRP A 746 6.477 5.520 -12.402 1.00 0.00 C ATOM 498 CD2 TRP A 746 8.413 4.462 -12.038 1.00 0.00 C ATOM 499 NE1 TRP A 746 7.384 6.448 -11.961 1.00 0.00 N ATOM 500 CE2 TRP A 746 8.580 5.822 -11.730 1.00 0.00 C ATOM 501 CE3 TRP A 746 9.499 3.596 -11.884 1.00 0.00 C ATOM 502 CZ2 TRP A 746 9.786 6.337 -11.280 1.00 0.00 C ATOM 503 CZ3 TRP A 746 10.700 4.109 -11.435 1.00 0.00 C ATOM 504 CH2 TRP A 746 10.835 5.469 -11.138 1.00 0.00 C ATOM 0 H TRP A 746 4.817 4.185 -11.331 1.00 0.00 H new ATOM 0 HA TRP A 746 5.001 1.550 -12.289 1.00 0.00 H new ATOM 0 HB2 TRP A 746 7.194 2.348 -13.278 1.00 0.00 H new ATOM 0 HB3 TRP A 746 5.751 3.232 -13.735 1.00 0.00 H new ATOM 0 HD1 TRP A 746 5.450 5.732 -12.662 1.00 0.00 H new ATOM 0 HE1 TRP A 746 7.199 7.442 -11.827 1.00 0.00 H new ATOM 0 HE3 TRP A 746 9.401 2.545 -12.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 746 9.894 7.387 -11.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 746 11.547 3.451 -11.311 1.00 0.00 H new ATOM 0 HH2 TRP A 746 11.787 5.842 -10.789 1.00 0.00 H new ATOM 515 N PRO A 747 7.003 2.098 -9.708 1.00 0.00 N ATOM 516 CA PRO A 747 7.863 1.370 -8.777 1.00 0.00 C ATOM 517 C PRO A 747 7.062 0.323 -8.021 1.00 0.00 C ATOM 518 O PRO A 747 7.620 -0.546 -7.351 1.00 0.00 O ATOM 519 CB PRO A 747 8.392 2.441 -7.812 1.00 0.00 C ATOM 520 CG PRO A 747 7.867 3.745 -8.295 1.00 0.00 C ATOM 521 CD PRO A 747 6.708 3.451 -9.212 1.00 0.00 C ATOM 0 HA PRO A 747 8.668 0.841 -9.287 1.00 0.00 H new ATOM 0 HB2 PRO A 747 8.059 2.243 -6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 747 9.482 2.444 -7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 747 7.546 4.364 -7.457 1.00 0.00 H new ATOM 0 HG3 PRO A 747 8.643 4.300 -8.822 1.00 0.00 H new ATOM 0 HD2 PRO A 747 5.756 3.486 -8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 747 6.646 4.173 -10.026 1.00 0.00 H new ATOM 529 N PHE A 748 5.740 0.412 -8.150 1.00 0.00 N ATOM 530 CA PHE A 748 4.840 -0.506 -7.472 1.00 0.00 C ATOM 531 C PHE A 748 4.011 -1.316 -8.471 1.00 0.00 C ATOM 532 O PHE A 748 3.383 -2.303 -8.108 1.00 0.00 O ATOM 533 CB PHE A 748 3.927 0.262 -6.512 1.00 0.00 C ATOM 534 CG PHE A 748 4.545 1.484 -5.910 1.00 0.00 C ATOM 535 CD1 PHE A 748 5.846 1.476 -5.491 1.00 0.00 C ATOM 536 CD2 PHE A 748 3.818 2.649 -5.783 1.00 0.00 C ATOM 537 CE1 PHE A 748 6.422 2.602 -4.954 1.00 0.00 C ATOM 538 CE2 PHE A 748 4.398 3.783 -5.243 1.00 0.00 C ATOM 539 CZ PHE A 748 5.695 3.752 -4.833 1.00 0.00 C ATOM 0 H PHE A 748 5.271 1.115 -8.721 1.00 0.00 H new ATOM 0 HA PHE A 748 5.444 -1.209 -6.899 1.00 0.00 H new ATOM 0 HB2 PHE A 748 3.023 0.554 -7.046 1.00 0.00 H new ATOM 0 HB3 PHE A 748 3.621 -0.408 -5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 748 6.429 0.572 -5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 748 2.788 2.676 -6.107 1.00 0.00 H new ATOM 0 HE1 PHE A 748 7.451 2.578 -4.627 1.00 0.00 H new ATOM 0 HE2 PHE A 748 3.822 4.692 -5.147 1.00 0.00 H new ATOM 0 HZ PHE A 748 6.150 4.637 -4.412 1.00 0.00 H new ATOM 549 N MET A 749 4.034 -0.903 -9.737 1.00 0.00 N ATOM 550 CA MET A 749 3.253 -1.563 -10.789 1.00 0.00 C ATOM 551 C MET A 749 3.394 -3.067 -10.753 1.00 0.00 C ATOM 552 O MET A 749 2.451 -3.804 -11.041 1.00 0.00 O ATOM 553 CB MET A 749 3.651 -1.032 -12.151 1.00 0.00 C ATOM 554 CG MET A 749 2.743 0.083 -12.565 1.00 0.00 C ATOM 555 SD MET A 749 3.349 1.058 -13.938 1.00 0.00 S ATOM 556 CE MET A 749 2.402 2.518 -13.576 1.00 0.00 C ATOM 0 H MET A 749 4.587 -0.110 -10.063 1.00 0.00 H new ATOM 0 HA MET A 749 2.204 -1.333 -10.602 1.00 0.00 H new ATOM 0 HB2 MET A 749 4.682 -0.678 -12.123 1.00 0.00 H new ATOM 0 HB3 MET A 749 3.610 -1.835 -12.887 1.00 0.00 H new ATOM 0 HG2 MET A 749 1.773 -0.335 -12.832 1.00 0.00 H new ATOM 0 HG3 MET A 749 2.582 0.741 -11.711 1.00 0.00 H new ATOM 0 HE1 MET A 749 2.876 3.383 -14.039 1.00 0.00 H new ATOM 0 HE2 MET A 749 1.392 2.404 -13.970 1.00 0.00 H new ATOM 0 HE3 MET A 749 2.356 2.663 -12.497 1.00 0.00 H new ATOM 566 N GLU A 750 4.573 -3.513 -10.389 1.00 0.00 N ATOM 567 CA GLU A 750 4.863 -4.926 -10.317 1.00 0.00 C ATOM 568 C GLU A 750 5.795 -5.212 -9.147 1.00 0.00 C ATOM 569 O GLU A 750 6.429 -4.300 -8.614 1.00 0.00 O ATOM 570 CB GLU A 750 5.493 -5.385 -11.626 1.00 0.00 C ATOM 571 CG GLU A 750 4.486 -5.848 -12.667 1.00 0.00 C ATOM 572 CD GLU A 750 4.050 -4.731 -13.595 1.00 0.00 C ATOM 573 OE1 GLU A 750 4.888 -4.258 -14.391 1.00 0.00 O ATOM 574 OE2 GLU A 750 2.867 -4.334 -13.532 1.00 0.00 O ATOM 0 H GLU A 750 5.355 -2.910 -10.135 1.00 0.00 H new ATOM 0 HA GLU A 750 3.936 -5.476 -10.159 1.00 0.00 H new ATOM 0 HB2 GLU A 750 6.080 -4.566 -12.042 1.00 0.00 H new ATOM 0 HB3 GLU A 750 6.186 -6.200 -11.418 1.00 0.00 H new ATOM 0 HG2 GLU A 750 4.923 -6.655 -13.256 1.00 0.00 H new ATOM 0 HG3 GLU A 750 3.611 -6.259 -12.163 1.00 0.00 H new ATOM 581 N PRO A 751 5.895 -6.482 -8.732 1.00 0.00 N ATOM 582 CA PRO A 751 6.747 -6.882 -7.620 1.00 0.00 C ATOM 583 C PRO A 751 8.212 -6.827 -7.991 1.00 0.00 C ATOM 584 O PRO A 751 8.641 -7.382 -9.004 1.00 0.00 O ATOM 585 CB PRO A 751 6.336 -8.324 -7.329 1.00 0.00 C ATOM 586 CG PRO A 751 5.114 -8.553 -8.141 1.00 0.00 C ATOM 587 CD PRO A 751 5.209 -7.632 -9.309 1.00 0.00 C ATOM 0 HA PRO A 751 6.627 -6.219 -6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 751 7.127 -9.022 -7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 751 6.136 -8.470 -6.267 1.00 0.00 H new ATOM 0 HG2 PRO A 751 5.054 -9.591 -8.468 1.00 0.00 H new ATOM 0 HG3 PRO A 751 4.216 -8.350 -7.558 1.00 0.00 H new ATOM 0 HD2 PRO A 751 5.772 -8.073 -10.132 1.00 0.00 H new ATOM 0 HD3 PRO A 751 4.227 -7.367 -9.701 1.00 0.00 H new ATOM 595 N VAL A 752 8.962 -6.145 -7.158 1.00 0.00 N ATOM 596 CA VAL A 752 10.379 -5.979 -7.319 1.00 0.00 C ATOM 597 C VAL A 752 11.088 -7.307 -7.584 1.00 0.00 C ATOM 598 O VAL A 752 10.529 -8.381 -7.361 1.00 0.00 O ATOM 599 CB VAL A 752 10.875 -5.393 -6.013 1.00 0.00 C ATOM 600 CG1 VAL A 752 12.359 -5.244 -5.948 1.00 0.00 C ATOM 601 CG2 VAL A 752 10.215 -4.069 -5.726 1.00 0.00 C ATOM 0 H VAL A 752 8.590 -5.680 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 752 10.588 -5.339 -8.176 1.00 0.00 H new ATOM 0 HB VAL A 752 10.596 -6.115 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 752 12.640 -4.819 -4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 752 12.828 -6.221 -6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 752 12.694 -4.583 -6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 752 10.590 -3.672 -4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 752 10.441 -3.368 -6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 752 9.136 -4.208 -5.658 1.00 0.00 H new ATOM 611 N LYS A 753 12.328 -7.218 -8.054 1.00 0.00 N ATOM 612 CA LYS A 753 13.136 -8.402 -8.329 1.00 0.00 C ATOM 613 C LYS A 753 13.687 -8.952 -7.032 1.00 0.00 C ATOM 614 O LYS A 753 14.509 -9.869 -7.033 1.00 0.00 O ATOM 615 CB LYS A 753 14.315 -8.054 -9.241 1.00 0.00 C ATOM 616 CG LYS A 753 13.909 -7.355 -10.521 1.00 0.00 C ATOM 617 CD LYS A 753 13.547 -8.347 -11.614 1.00 0.00 C ATOM 618 CE LYS A 753 13.411 -7.662 -12.962 1.00 0.00 C ATOM 619 NZ LYS A 753 14.738 -7.335 -13.558 1.00 0.00 N ATOM 0 H LYS A 753 12.797 -6.335 -8.253 1.00 0.00 H new ATOM 0 HA LYS A 753 12.501 -9.139 -8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 753 15.010 -7.417 -8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 753 14.851 -8.969 -9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 753 13.058 -6.703 -10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 753 14.726 -6.719 -10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 753 14.313 -9.121 -11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 753 12.610 -8.844 -11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 753 12.857 -8.308 -13.643 1.00 0.00 H new ATOM 0 HE3 LYS A 753 12.830 -6.747 -12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 14.605 -6.978 -14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 15.208 -6.608 -12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 15.328 -8.191 -13.583 1.00 0.00 H new ATOM 633 N ARG A 754 13.232 -8.372 -5.928 1.00 0.00 N ATOM 634 CA ARG A 754 13.712 -8.745 -4.611 1.00 0.00 C ATOM 635 C ARG A 754 15.162 -8.322 -4.491 1.00 0.00 C ATOM 636 O ARG A 754 15.776 -8.453 -3.433 1.00 0.00 O ATOM 637 CB ARG A 754 13.577 -10.251 -4.368 1.00 0.00 C ATOM 638 CG ARG A 754 13.694 -10.653 -2.905 1.00 0.00 C ATOM 639 CD ARG A 754 15.057 -11.252 -2.592 1.00 0.00 C ATOM 640 NE ARG A 754 15.181 -11.623 -1.185 1.00 0.00 N ATOM 641 CZ ARG A 754 16.108 -12.454 -0.718 1.00 0.00 C ATOM 642 NH1 ARG A 754 16.991 -13.003 -1.543 1.00 0.00 N ATOM 643 NH2 ARG A 754 16.153 -12.739 0.577 1.00 0.00 N ATOM 0 H ARG A 754 12.526 -7.636 -5.924 1.00 0.00 H new ATOM 0 HA ARG A 754 13.107 -8.242 -3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 754 12.613 -10.586 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 754 14.345 -10.772 -4.940 1.00 0.00 H new ATOM 0 HG2 ARG A 754 13.527 -9.780 -2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 754 12.915 -11.376 -2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 754 15.218 -12.132 -3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 754 15.836 -10.534 -2.848 1.00 0.00 H new ATOM 0 HE ARG A 754 14.518 -11.221 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 754 16.960 -12.788 -2.540 1.00 0.00 H new ATOM 0 HH12 ARG A 754 17.700 -13.640 -1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 754 15.476 -12.321 1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 754 16.864 -13.377 0.934 1.00 0.00 H new ATOM 657 N THR A 755 15.708 -7.793 -5.591 1.00 0.00 N ATOM 658 CA THR A 755 17.092 -7.375 -5.604 1.00 0.00 C ATOM 659 C THR A 755 17.317 -6.052 -6.336 1.00 0.00 C ATOM 660 O THR A 755 18.350 -5.418 -6.120 1.00 0.00 O ATOM 661 CB THR A 755 18.005 -8.449 -6.203 1.00 0.00 C ATOM 662 OG1 THR A 755 17.802 -8.539 -7.620 1.00 0.00 O ATOM 663 CG2 THR A 755 17.738 -9.797 -5.557 1.00 0.00 C ATOM 0 H THR A 755 15.210 -7.650 -6.469 1.00 0.00 H new ATOM 0 HA THR A 755 17.352 -7.223 -4.557 1.00 0.00 H new ATOM 0 HB THR A 755 19.040 -8.167 -6.009 1.00 0.00 H new ATOM 0 HG1 THR A 755 18.392 -9.227 -7.992 1.00 0.00 H new ATOM 0 HG21 THR A 755 18.396 -10.547 -5.995 1.00 0.00 H new ATOM 0 HG22 THR A 755 17.926 -9.731 -4.485 1.00 0.00 H new ATOM 0 HG23 THR A 755 16.700 -10.082 -5.726 1.00 0.00 H new ATOM 671 N GLU A 756 16.384 -5.612 -7.207 1.00 0.00 N ATOM 672 CA GLU A 756 16.578 -4.305 -7.834 1.00 0.00 C ATOM 673 C GLU A 756 16.553 -3.388 -6.661 1.00 0.00 C ATOM 674 O GLU A 756 17.066 -2.269 -6.642 1.00 0.00 O ATOM 675 CB GLU A 756 15.485 -3.912 -8.811 1.00 0.00 C ATOM 676 CG GLU A 756 14.193 -4.611 -8.555 1.00 0.00 C ATOM 677 CD GLU A 756 13.041 -4.059 -9.373 1.00 0.00 C ATOM 678 OE1 GLU A 756 12.967 -4.371 -10.580 1.00 0.00 O ATOM 679 OE2 GLU A 756 12.211 -3.318 -8.807 1.00 0.00 O ATOM 0 H GLU A 756 15.538 -6.115 -7.476 1.00 0.00 H new ATOM 0 HA GLU A 756 17.488 -4.285 -8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 756 15.326 -2.835 -8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 756 15.816 -4.133 -9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 756 14.311 -5.672 -8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 756 13.948 -4.532 -7.496 1.00 0.00 H new ATOM 686 N ALA A 757 15.887 -3.966 -5.683 1.00 0.00 N ATOM 687 CA ALA A 757 15.713 -3.462 -4.383 1.00 0.00 C ATOM 688 C ALA A 757 16.613 -4.330 -3.534 1.00 0.00 C ATOM 689 O ALA A 757 16.239 -5.386 -3.032 1.00 0.00 O ATOM 690 CB ALA A 757 14.274 -3.577 -4.037 1.00 0.00 C ATOM 0 H ALA A 757 15.428 -4.868 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 757 15.973 -2.412 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 757 14.110 -3.192 -3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 757 13.682 -3.000 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 757 13.972 -4.624 -4.079 1.00 0.00 H new ATOM 696 N PRO A 758 17.854 -3.890 -3.455 1.00 0.00 N ATOM 697 CA PRO A 758 18.934 -4.593 -2.777 1.00 0.00 C ATOM 698 C PRO A 758 18.549 -5.095 -1.396 1.00 0.00 C ATOM 699 O PRO A 758 18.332 -6.292 -1.213 1.00 0.00 O ATOM 700 CB PRO A 758 20.070 -3.560 -2.747 1.00 0.00 C ATOM 701 CG PRO A 758 19.451 -2.262 -3.170 1.00 0.00 C ATOM 702 CD PRO A 758 18.278 -2.607 -3.998 1.00 0.00 C ATOM 0 HA PRO A 758 19.218 -5.511 -3.292 1.00 0.00 H new ATOM 0 HB2 PRO A 758 20.501 -3.481 -1.749 1.00 0.00 H new ATOM 0 HB3 PRO A 758 20.877 -3.847 -3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 758 19.154 -1.673 -2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 758 20.162 -1.660 -3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 758 17.492 -1.856 -3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 758 18.538 -2.683 -5.054 1.00 0.00 H new ATOM 710 N GLY A 759 18.468 -4.208 -0.426 1.00 0.00 N ATOM 711 CA GLY A 759 18.080 -4.636 0.899 1.00 0.00 C ATOM 712 C GLY A 759 16.575 -4.646 1.046 1.00 0.00 C ATOM 713 O GLY A 759 16.061 -4.635 2.154 1.00 0.00 O ATOM 0 H GLY A 759 18.660 -3.211 -0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 759 18.475 -5.633 1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 759 18.517 -3.970 1.643 1.00 0.00 H new ATOM 717 N TYR A 760 15.874 -4.733 -0.087 1.00 0.00 N ATOM 718 CA TYR A 760 14.409 -4.694 -0.118 1.00 0.00 C ATOM 719 C TYR A 760 13.734 -5.474 1.002 1.00 0.00 C ATOM 720 O TYR A 760 13.103 -4.895 1.876 1.00 0.00 O ATOM 721 CB TYR A 760 14.005 -5.276 -1.456 1.00 0.00 C ATOM 722 CG TYR A 760 12.554 -5.220 -1.834 1.00 0.00 C ATOM 723 CD1 TYR A 760 11.736 -4.187 -1.442 1.00 0.00 C ATOM 724 CD2 TYR A 760 12.022 -6.203 -2.640 1.00 0.00 C ATOM 725 CE1 TYR A 760 10.421 -4.139 -1.850 1.00 0.00 C ATOM 726 CE2 TYR A 760 10.711 -6.164 -3.039 1.00 0.00 C ATOM 727 CZ TYR A 760 9.917 -5.129 -2.649 1.00 0.00 C ATOM 728 OH TYR A 760 8.604 -5.078 -3.057 1.00 0.00 O ATOM 0 H TYR A 760 16.304 -4.832 -1.007 1.00 0.00 H new ATOM 0 HA TYR A 760 14.086 -3.663 0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 760 14.573 -4.761 -2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 760 14.316 -6.321 -1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 760 12.128 -3.405 -0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 760 12.650 -7.020 -2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 760 9.788 -3.321 -1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 760 10.310 -6.951 -3.660 1.00 0.00 H new ATOM 0 HH TYR A 760 8.406 -5.856 -3.620 1.00 0.00 H new ATOM 738 N TYR A 761 13.879 -6.780 0.972 1.00 0.00 N ATOM 739 CA TYR A 761 13.250 -7.646 1.961 1.00 0.00 C ATOM 740 C TYR A 761 13.813 -7.458 3.363 1.00 0.00 C ATOM 741 O TYR A 761 13.215 -7.901 4.344 1.00 0.00 O ATOM 742 CB TYR A 761 13.347 -9.098 1.516 1.00 0.00 C ATOM 743 CG TYR A 761 12.224 -9.476 0.581 1.00 0.00 C ATOM 744 CD1 TYR A 761 11.885 -8.631 -0.459 1.00 0.00 C ATOM 745 CD2 TYR A 761 11.485 -10.639 0.751 1.00 0.00 C ATOM 746 CE1 TYR A 761 10.845 -8.922 -1.314 1.00 0.00 C ATOM 747 CE2 TYR A 761 10.441 -10.948 -0.105 1.00 0.00 C ATOM 748 CZ TYR A 761 10.125 -10.084 -1.136 1.00 0.00 C ATOM 749 OH TYR A 761 9.083 -10.382 -1.985 1.00 0.00 O ATOM 0 H TYR A 761 14.430 -7.275 0.270 1.00 0.00 H new ATOM 0 HA TYR A 761 12.200 -7.359 2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 761 14.303 -9.263 1.020 1.00 0.00 H new ATOM 0 HB3 TYR A 761 13.326 -9.748 2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 761 12.449 -7.721 -0.605 1.00 0.00 H new ATOM 0 HD2 TYR A 761 11.727 -11.311 1.561 1.00 0.00 H new ATOM 0 HE1 TYR A 761 10.596 -8.245 -2.118 1.00 0.00 H new ATOM 0 HE2 TYR A 761 9.877 -11.859 0.033 1.00 0.00 H new ATOM 0 HH TYR A 761 8.681 -11.237 -1.723 1.00 0.00 H new ATOM 759 N GLU A 762 14.957 -6.804 3.456 1.00 0.00 N ATOM 760 CA GLU A 762 15.597 -6.576 4.748 1.00 0.00 C ATOM 761 C GLU A 762 14.876 -5.462 5.503 1.00 0.00 C ATOM 762 O GLU A 762 14.748 -5.493 6.727 1.00 0.00 O ATOM 763 CB GLU A 762 17.074 -6.226 4.548 1.00 0.00 C ATOM 764 CG GLU A 762 17.397 -4.781 4.867 1.00 0.00 C ATOM 765 CD GLU A 762 18.888 -4.507 4.922 1.00 0.00 C ATOM 766 OE1 GLU A 762 19.471 -4.182 3.867 1.00 0.00 O ATOM 767 OE2 GLU A 762 19.470 -4.619 6.021 1.00 0.00 O ATOM 0 H GLU A 762 15.464 -6.421 2.658 1.00 0.00 H new ATOM 0 HA GLU A 762 15.536 -7.489 5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 762 17.682 -6.875 5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 762 17.353 -6.434 3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 762 16.942 -4.138 4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 762 16.949 -4.517 5.825 1.00 0.00 H new ATOM 774 N VAL A 763 14.411 -4.485 4.741 1.00 0.00 N ATOM 775 CA VAL A 763 13.695 -3.338 5.264 1.00 0.00 C ATOM 776 C VAL A 763 12.225 -3.590 5.177 1.00 0.00 C ATOM 777 O VAL A 763 11.479 -3.473 6.150 1.00 0.00 O ATOM 778 CB VAL A 763 14.035 -2.065 4.439 1.00 0.00 C ATOM 779 CG1 VAL A 763 14.739 -2.399 3.154 1.00 0.00 C ATOM 780 CG2 VAL A 763 12.822 -1.271 4.074 1.00 0.00 C ATOM 0 H VAL A 763 14.523 -4.469 3.727 1.00 0.00 H new ATOM 0 HA VAL A 763 13.991 -3.184 6.302 1.00 0.00 H new ATOM 0 HB VAL A 763 14.681 -1.479 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 763 14.958 -1.480 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 763 15.670 -2.921 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 763 14.100 -3.039 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 763 13.120 -0.394 3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 763 12.151 -1.887 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 763 12.309 -0.952 4.981 1.00 0.00 H new ATOM 790 N ILE A 764 11.837 -3.938 3.988 1.00 0.00 N ATOM 791 CA ILE A 764 10.473 -4.170 3.679 1.00 0.00 C ATOM 792 C ILE A 764 9.966 -5.502 4.188 1.00 0.00 C ATOM 793 O ILE A 764 10.103 -6.527 3.519 1.00 0.00 O ATOM 794 CB ILE A 764 10.263 -4.099 2.197 1.00 0.00 C ATOM 795 CG1 ILE A 764 10.967 -2.868 1.640 1.00 0.00 C ATOM 796 CG2 ILE A 764 8.787 -4.022 1.949 1.00 0.00 C ATOM 797 CD1 ILE A 764 10.192 -1.592 1.844 1.00 0.00 C ATOM 0 H ILE A 764 12.472 -4.068 3.201 1.00 0.00 H new ATOM 0 HA ILE A 764 9.905 -3.390 4.186 1.00 0.00 H new ATOM 0 HB ILE A 764 10.677 -4.977 1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 764 11.943 -2.771 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 764 11.143 -3.011 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 764 8.601 -3.969 0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 764 8.303 -4.909 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 764 8.383 -3.132 2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 764 10.751 -0.756 1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 764 9.226 -1.670 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 764 10.038 -1.426 2.910 1.00 0.00 H new ATOM 809 N ARG A 765 9.394 -5.487 5.376 1.00 0.00 N ATOM 810 CA ARG A 765 8.835 -6.683 5.951 1.00 0.00 C ATOM 811 C ARG A 765 7.625 -7.142 5.118 1.00 0.00 C ATOM 812 O ARG A 765 7.367 -8.338 4.997 1.00 0.00 O ATOM 813 CB ARG A 765 8.451 -6.392 7.399 1.00 0.00 C ATOM 814 CG ARG A 765 8.575 -7.561 8.335 1.00 0.00 C ATOM 815 CD ARG A 765 7.668 -8.704 7.962 1.00 0.00 C ATOM 816 NE ARG A 765 7.993 -9.930 8.686 1.00 0.00 N ATOM 817 CZ ARG A 765 7.442 -11.111 8.422 1.00 0.00 C ATOM 818 NH1 ARG A 765 6.541 -11.224 7.454 1.00 0.00 N ATOM 819 NH2 ARG A 765 7.792 -12.180 9.124 1.00 0.00 N ATOM 0 H ARG A 765 9.307 -4.655 5.959 1.00 0.00 H new ATOM 0 HA ARG A 765 9.563 -7.494 5.942 1.00 0.00 H new ATOM 0 HB2 ARG A 765 9.078 -5.581 7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 765 7.421 -6.035 7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 765 9.608 -7.909 8.340 1.00 0.00 H new ATOM 0 HG3 ARG A 765 8.344 -7.235 9.349 1.00 0.00 H new ATOM 0 HD2 ARG A 765 6.634 -8.426 8.168 1.00 0.00 H new ATOM 0 HD3 ARG A 765 7.741 -8.888 6.890 1.00 0.00 H new ATOM 0 HE ARG A 765 8.682 -9.877 9.437 1.00 0.00 H new ATOM 0 HH11 ARG A 765 6.270 -10.404 6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 765 6.119 -12.131 7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 765 8.485 -12.097 9.868 1.00 0.00 H new ATOM 0 HH22 ARG A 765 7.368 -13.085 8.920 1.00 0.00 H new ATOM 833 N PHE A 766 6.894 -6.183 4.521 1.00 0.00 N ATOM 834 CA PHE A 766 5.729 -6.520 3.686 1.00 0.00 C ATOM 835 C PHE A 766 5.814 -5.890 2.295 1.00 0.00 C ATOM 836 O PHE A 766 5.044 -4.985 1.976 1.00 0.00 O ATOM 837 CB PHE A 766 4.411 -6.074 4.324 1.00 0.00 C ATOM 838 CG PHE A 766 4.005 -6.854 5.526 1.00 0.00 C ATOM 839 CD1 PHE A 766 4.800 -6.844 6.637 1.00 0.00 C ATOM 840 CD2 PHE A 766 2.819 -7.567 5.551 1.00 0.00 C ATOM 841 CE1 PHE A 766 4.435 -7.529 7.776 1.00 0.00 C ATOM 842 CE2 PHE A 766 2.443 -8.263 6.681 1.00 0.00 C ATOM 843 CZ PHE A 766 3.254 -8.241 7.797 1.00 0.00 C ATOM 0 H PHE A 766 7.086 -5.184 4.600 1.00 0.00 H new ATOM 0 HA PHE A 766 5.746 -7.606 3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 766 4.495 -5.023 4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 766 3.620 -6.145 3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 766 5.728 -6.291 6.623 1.00 0.00 H new ATOM 0 HD2 PHE A 766 2.183 -7.579 4.678 1.00 0.00 H new ATOM 0 HE1 PHE A 766 5.071 -7.508 8.648 1.00 0.00 H new ATOM 0 HE2 PHE A 766 1.519 -8.822 6.692 1.00 0.00 H new ATOM 0 HZ PHE A 766 2.964 -8.781 8.686 1.00 0.00 H new ATOM 853 N PRO A 767 6.743 -6.350 1.448 1.00 0.00 N ATOM 854 CA PRO A 767 6.893 -5.817 0.098 1.00 0.00 C ATOM 855 C PRO A 767 5.688 -6.086 -0.795 1.00 0.00 C ATOM 856 O PRO A 767 5.615 -7.106 -1.481 1.00 0.00 O ATOM 857 CB PRO A 767 8.165 -6.487 -0.427 1.00 0.00 C ATOM 858 CG PRO A 767 8.826 -7.068 0.753 1.00 0.00 C ATOM 859 CD PRO A 767 7.754 -7.363 1.753 1.00 0.00 C ATOM 0 HA PRO A 767 6.962 -4.729 0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 767 7.927 -7.257 -1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 767 8.813 -5.763 -0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 767 9.364 -7.977 0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 767 9.558 -6.374 1.166 1.00 0.00 H new ATOM 0 HD2 PRO A 767 7.362 -8.374 1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 767 8.119 -7.275 2.776 1.00 0.00 H new ATOM 867 N MET A 768 4.744 -5.145 -0.769 1.00 0.00 N ATOM 868 CA MET A 768 3.532 -5.234 -1.572 1.00 0.00 C ATOM 869 C MET A 768 3.588 -4.252 -2.718 1.00 0.00 C ATOM 870 O MET A 768 4.147 -3.163 -2.601 1.00 0.00 O ATOM 871 CB MET A 768 2.291 -4.985 -0.718 1.00 0.00 C ATOM 872 CG MET A 768 1.053 -4.570 -1.517 1.00 0.00 C ATOM 873 SD MET A 768 0.267 -5.914 -2.410 1.00 0.00 S ATOM 874 CE MET A 768 0.083 -7.028 -1.051 1.00 0.00 C ATOM 0 H MET A 768 4.800 -4.305 -0.193 1.00 0.00 H new ATOM 0 HA MET A 768 3.467 -6.243 -1.978 1.00 0.00 H new ATOM 0 HB2 MET A 768 2.061 -5.891 -0.158 1.00 0.00 H new ATOM 0 HB3 MET A 768 2.516 -4.208 0.012 1.00 0.00 H new ATOM 0 HG2 MET A 768 0.326 -4.128 -0.835 1.00 0.00 H new ATOM 0 HG3 MET A 768 1.337 -3.794 -2.228 1.00 0.00 H new ATOM 0 HE1 MET A 768 0.774 -7.862 -1.168 1.00 0.00 H new ATOM 0 HE2 MET A 768 0.300 -6.505 -0.120 1.00 0.00 H new ATOM 0 HE3 MET A 768 -0.939 -7.405 -1.025 1.00 0.00 H new ATOM 884 N ASP A 769 3.015 -4.659 -3.831 1.00 0.00 N ATOM 885 CA ASP A 769 2.975 -3.838 -5.013 1.00 0.00 C ATOM 886 C ASP A 769 1.565 -3.796 -5.564 1.00 0.00 C ATOM 887 O ASP A 769 0.664 -4.429 -5.023 1.00 0.00 O ATOM 888 CB ASP A 769 3.934 -4.377 -6.065 1.00 0.00 C ATOM 889 CG ASP A 769 4.100 -5.876 -5.984 1.00 0.00 C ATOM 890 OD1 ASP A 769 4.870 -6.346 -5.120 1.00 0.00 O ATOM 891 OD2 ASP A 769 3.459 -6.581 -6.787 1.00 0.00 O ATOM 0 H ASP A 769 2.565 -5.568 -3.937 1.00 0.00 H new ATOM 0 HA ASP A 769 3.283 -2.826 -4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 769 3.569 -4.108 -7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 769 4.907 -3.900 -5.944 1.00 0.00 H new ATOM 896 N LEU A 770 1.371 -3.029 -6.616 1.00 0.00 N ATOM 897 CA LEU A 770 0.071 -2.920 -7.242 1.00 0.00 C ATOM 898 C LEU A 770 -0.312 -4.200 -7.951 1.00 0.00 C ATOM 899 O LEU A 770 -1.493 -4.484 -8.110 1.00 0.00 O ATOM 900 CB LEU A 770 0.054 -1.753 -8.199 1.00 0.00 C ATOM 901 CG LEU A 770 0.736 -0.529 -7.655 1.00 0.00 C ATOM 902 CD1 LEU A 770 1.439 0.182 -8.762 1.00 0.00 C ATOM 903 CD2 LEU A 770 -0.273 0.378 -7.015 1.00 0.00 C ATOM 0 H LEU A 770 2.101 -2.470 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.669 -2.747 -6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 770 0.539 -2.048 -9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -0.979 -1.507 -8.443 1.00 0.00 H new ATOM 0 HG LEU A 770 1.465 -0.826 -6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 770 1.934 1.070 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 770 2.182 -0.481 -9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 770 0.716 0.477 -9.522 1.00 0.00 H new ATOM 0 HD21 LEU A 770 0.229 1.262 -6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -1.013 0.679 -7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -0.770 -0.148 -6.200 1.00 0.00 H new ATOM 915 N LYS A 771 0.673 -4.950 -8.424 1.00 0.00 N ATOM 916 CA LYS A 771 0.368 -6.219 -9.053 1.00 0.00 C ATOM 917 C LYS A 771 0.039 -7.228 -7.981 1.00 0.00 C ATOM 918 O LYS A 771 -0.847 -8.052 -8.155 1.00 0.00 O ATOM 919 CB LYS A 771 1.495 -6.747 -9.913 1.00 0.00 C ATOM 920 CG LYS A 771 0.971 -7.573 -11.066 1.00 0.00 C ATOM 921 CD LYS A 771 0.858 -6.726 -12.316 1.00 0.00 C ATOM 922 CE LYS A 771 0.040 -7.422 -13.385 1.00 0.00 C ATOM 923 NZ LYS A 771 0.642 -8.722 -13.790 1.00 0.00 N ATOM 0 H LYS A 771 1.663 -4.708 -8.385 1.00 0.00 H new ATOM 0 HA LYS A 771 -0.481 -6.055 -9.717 1.00 0.00 H new ATOM 0 HB2 LYS A 771 2.082 -5.913 -10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 771 2.165 -7.354 -9.304 1.00 0.00 H new ATOM 0 HG2 LYS A 771 1.637 -8.416 -11.250 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -0.004 -7.987 -10.811 1.00 0.00 H new ATOM 0 HD2 LYS A 771 0.397 -5.770 -12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 771 1.854 -6.510 -12.702 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -0.971 -7.590 -13.015 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -0.043 -6.774 -14.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 0.120 -9.108 -14.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 1.637 -8.576 -14.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 0.590 -9.391 -12.996 1.00 0.00 H new ATOM 937 N THR A 772 0.798 -7.191 -6.888 1.00 0.00 N ATOM 938 CA THR A 772 0.511 -8.066 -5.762 1.00 0.00 C ATOM 939 C THR A 772 -0.869 -7.689 -5.252 1.00 0.00 C ATOM 940 O THR A 772 -1.673 -8.542 -4.878 1.00 0.00 O ATOM 941 CB THR A 772 1.544 -7.961 -4.628 1.00 0.00 C ATOM 942 OG1 THR A 772 2.840 -8.341 -5.107 1.00 0.00 O ATOM 943 CG2 THR A 772 1.147 -8.864 -3.473 1.00 0.00 C ATOM 0 H THR A 772 1.601 -6.575 -6.762 1.00 0.00 H new ATOM 0 HA THR A 772 0.556 -9.101 -6.100 1.00 0.00 H new ATOM 0 HB THR A 772 1.576 -6.928 -4.281 1.00 0.00 H new ATOM 0 HG1 THR A 772 3.004 -7.920 -5.977 1.00 0.00 H new ATOM 0 HG21 THR A 772 1.886 -8.781 -2.676 1.00 0.00 H new ATOM 0 HG22 THR A 772 0.170 -8.563 -3.095 1.00 0.00 H new ATOM 0 HG23 THR A 772 1.100 -9.897 -3.818 1.00 0.00 H new ATOM 951 N MET A 773 -1.119 -6.377 -5.236 1.00 0.00 N ATOM 952 CA MET A 773 -2.425 -5.844 -4.878 1.00 0.00 C ATOM 953 C MET A 773 -3.442 -6.495 -5.811 1.00 0.00 C ATOM 954 O MET A 773 -4.302 -7.253 -5.388 1.00 0.00 O ATOM 955 CB MET A 773 -2.436 -4.325 -5.074 1.00 0.00 C ATOM 956 CG MET A 773 -2.105 -3.537 -3.828 1.00 0.00 C ATOM 957 SD MET A 773 -3.250 -3.871 -2.501 1.00 0.00 S ATOM 958 CE MET A 773 -4.727 -3.172 -3.205 1.00 0.00 C ATOM 0 H MET A 773 -0.426 -5.665 -5.469 1.00 0.00 H new ATOM 0 HA MET A 773 -2.662 -6.055 -3.835 1.00 0.00 H new ATOM 0 HB2 MET A 773 -1.721 -4.066 -5.855 1.00 0.00 H new ATOM 0 HB3 MET A 773 -3.421 -4.023 -5.430 1.00 0.00 H new ATOM 0 HG2 MET A 773 -1.093 -3.780 -3.503 1.00 0.00 H new ATOM 0 HG3 MET A 773 -2.118 -2.472 -4.059 1.00 0.00 H new ATOM 0 HE1 MET A 773 -5.586 -3.785 -2.931 1.00 0.00 H new ATOM 0 HE2 MET A 773 -4.868 -2.160 -2.825 1.00 0.00 H new ATOM 0 HE3 MET A 773 -4.634 -3.142 -4.291 1.00 0.00 H new ATOM 968 N SER A 774 -3.277 -6.224 -7.101 1.00 0.00 N ATOM 969 CA SER A 774 -4.148 -6.774 -8.138 1.00 0.00 C ATOM 970 C SER A 774 -4.154 -8.292 -8.121 1.00 0.00 C ATOM 971 O SER A 774 -5.084 -8.916 -8.599 1.00 0.00 O ATOM 972 CB SER A 774 -3.714 -6.278 -9.499 1.00 0.00 C ATOM 973 OG SER A 774 -2.549 -6.947 -9.950 1.00 0.00 O ATOM 0 H SER A 774 -2.538 -5.619 -7.459 1.00 0.00 H new ATOM 0 HA SER A 774 -5.162 -6.433 -7.931 1.00 0.00 H new ATOM 0 HB2 SER A 774 -4.521 -6.428 -10.216 1.00 0.00 H new ATOM 0 HB3 SER A 774 -3.524 -5.206 -9.453 1.00 0.00 H new ATOM 0 HG SER A 774 -2.080 -7.339 -9.184 1.00 0.00 H new ATOM 979 N GLU A 775 -3.098 -8.876 -7.591 1.00 0.00 N ATOM 980 CA GLU A 775 -2.996 -10.321 -7.486 1.00 0.00 C ATOM 981 C GLU A 775 -4.085 -10.797 -6.558 1.00 0.00 C ATOM 982 O GLU A 775 -4.865 -11.706 -6.866 1.00 0.00 O ATOM 983 CB GLU A 775 -1.625 -10.682 -6.934 1.00 0.00 C ATOM 984 CG GLU A 775 -0.809 -11.557 -7.851 1.00 0.00 C ATOM 985 CD GLU A 775 0.268 -12.334 -7.119 1.00 0.00 C ATOM 986 OE1 GLU A 775 -0.018 -13.462 -6.665 1.00 0.00 O ATOM 987 OE2 GLU A 775 1.397 -11.812 -6.997 1.00 0.00 O ATOM 0 H GLU A 775 -2.292 -8.370 -7.224 1.00 0.00 H new ATOM 0 HA GLU A 775 -3.113 -10.796 -8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 775 -1.071 -9.765 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 775 -1.751 -11.192 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 775 -1.471 -12.256 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 775 -0.345 -10.938 -8.619 1.00 0.00 H new ATOM 994 N ARG A 776 -4.136 -10.131 -5.426 1.00 0.00 N ATOM 995 CA ARG A 776 -5.123 -10.398 -4.420 1.00 0.00 C ATOM 996 C ARG A 776 -6.490 -10.084 -4.993 1.00 0.00 C ATOM 997 O ARG A 776 -7.420 -10.879 -4.931 1.00 0.00 O ATOM 998 CB ARG A 776 -4.803 -9.537 -3.218 1.00 0.00 C ATOM 999 CG ARG A 776 -3.647 -10.095 -2.410 1.00 0.00 C ATOM 1000 CD ARG A 776 -2.713 -9.010 -1.904 1.00 0.00 C ATOM 1001 NE ARG A 776 -1.536 -9.581 -1.252 1.00 0.00 N ATOM 1002 CZ ARG A 776 -1.386 -9.658 0.067 1.00 0.00 C ATOM 1003 NH1 ARG A 776 -2.331 -9.199 0.876 1.00 0.00 N ATOM 1004 NH2 ARG A 776 -0.286 -10.195 0.579 1.00 0.00 N ATOM 0 H ARG A 776 -3.486 -9.384 -5.182 1.00 0.00 H new ATOM 0 HA ARG A 776 -5.120 -11.443 -4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 776 -4.559 -8.528 -3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 776 -5.685 -9.459 -2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 776 -4.039 -10.657 -1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 776 -3.084 -10.797 -3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 776 -2.400 -8.380 -2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 776 -3.245 -8.369 -1.201 1.00 0.00 H new ATOM 0 HE ARG A 776 -0.787 -9.941 -1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 776 -3.178 -8.784 0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 776 -2.211 -9.261 1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 776 0.444 -10.549 -0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 776 -0.171 -10.254 1.591 1.00 0.00 H new ATOM 1018 N LEU A 777 -6.557 -8.919 -5.593 1.00 0.00 N ATOM 1019 CA LEU A 777 -7.753 -8.409 -6.238 1.00 0.00 C ATOM 1020 C LEU A 777 -8.329 -9.425 -7.180 1.00 0.00 C ATOM 1021 O LEU A 777 -9.500 -9.785 -7.092 1.00 0.00 O ATOM 1022 CB LEU A 777 -7.366 -7.153 -7.012 1.00 0.00 C ATOM 1023 CG LEU A 777 -8.485 -6.255 -7.521 1.00 0.00 C ATOM 1024 CD1 LEU A 777 -9.758 -6.991 -7.816 1.00 0.00 C ATOM 1025 CD2 LEU A 777 -8.741 -5.171 -6.510 1.00 0.00 C ATOM 0 H LEU A 777 -5.764 -8.280 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 777 -8.509 -8.186 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 777 -6.720 -6.552 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 777 -6.768 -7.460 -7.870 1.00 0.00 H new ATOM 0 HG LEU A 777 -8.152 -5.833 -8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 777 -10.510 -6.288 -8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 777 -9.573 -7.746 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 777 -10.117 -7.475 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 777 -9.541 -4.523 -6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 777 -9.033 -5.620 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 777 -7.834 -4.583 -6.369 1.00 0.00 H new ATOM 1037 N LYS A 778 -7.496 -9.877 -8.082 1.00 0.00 N ATOM 1038 CA LYS A 778 -7.920 -10.820 -9.066 1.00 0.00 C ATOM 1039 C LYS A 778 -8.610 -12.001 -8.413 1.00 0.00 C ATOM 1040 O LYS A 778 -9.700 -12.402 -8.820 1.00 0.00 O ATOM 1041 CB LYS A 778 -6.749 -11.317 -9.876 1.00 0.00 C ATOM 1042 CG LYS A 778 -6.717 -10.734 -11.257 1.00 0.00 C ATOM 1043 CD LYS A 778 -5.949 -9.425 -11.300 1.00 0.00 C ATOM 1044 CE LYS A 778 -4.440 -9.653 -11.359 1.00 0.00 C ATOM 1045 NZ LYS A 778 -4.005 -10.132 -12.700 1.00 0.00 N ATOM 0 H LYS A 778 -6.516 -9.601 -8.149 1.00 0.00 H new ATOM 0 HA LYS A 778 -8.621 -10.312 -9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 778 -5.822 -11.069 -9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 778 -6.794 -12.404 -9.945 1.00 0.00 H new ATOM 0 HG2 LYS A 778 -6.258 -11.447 -11.942 1.00 0.00 H new ATOM 0 HG3 LYS A 778 -7.737 -10.569 -11.605 1.00 0.00 H new ATOM 0 HD2 LYS A 778 -6.263 -8.848 -12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 778 -6.193 -8.832 -10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 778 -3.922 -8.724 -11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 778 -4.153 -10.382 -10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 778 -2.968 -10.082 -12.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 778 -4.313 -11.116 -12.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 778 -4.429 -9.533 -13.437 1.00 0.00 H new ATOM 1059 N ASN A 779 -7.958 -12.565 -7.398 1.00 0.00 N ATOM 1060 CA ASN A 779 -8.517 -13.710 -6.692 1.00 0.00 C ATOM 1061 C ASN A 779 -9.649 -13.288 -5.751 1.00 0.00 C ATOM 1062 O ASN A 779 -10.231 -14.118 -5.054 1.00 0.00 O ATOM 1063 CB ASN A 779 -7.431 -14.462 -5.918 1.00 0.00 C ATOM 1064 CG ASN A 779 -7.259 -13.972 -4.495 1.00 0.00 C ATOM 1065 OD1 ASN A 779 -6.223 -13.178 -4.269 1.00 0.00 O flip ATOM 1066 ND2 ASN A 779 -8.035 -14.319 -3.605 1.00 0.00 N flip ATOM 0 H ASN A 779 -7.052 -12.250 -7.051 1.00 0.00 H new ATOM 0 HA ASN A 779 -8.934 -14.383 -7.441 1.00 0.00 H new ATOM 0 HB2 ASN A 779 -7.676 -15.524 -5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 779 -6.483 -14.362 -6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 779 -8.820 -14.932 -3.824 1.00 0.00 H new ATOM 0 HD22 ASN A 779 -7.893 -13.994 -2.649 1.00 0.00 H new ATOM 1073 N ARG A 780 -9.930 -11.984 -5.737 1.00 0.00 N ATOM 1074 CA ARG A 780 -11.002 -11.396 -4.920 1.00 0.00 C ATOM 1075 C ARG A 780 -10.609 -11.344 -3.452 1.00 0.00 C ATOM 1076 O ARG A 780 -11.464 -11.258 -2.570 1.00 0.00 O ATOM 1077 CB ARG A 780 -12.306 -12.180 -5.047 1.00 0.00 C ATOM 1078 CG ARG A 780 -13.047 -11.962 -6.344 1.00 0.00 C ATOM 1079 CD ARG A 780 -12.344 -12.638 -7.500 1.00 0.00 C ATOM 1080 NE ARG A 780 -13.182 -13.648 -8.143 1.00 0.00 N ATOM 1081 CZ ARG A 780 -13.263 -13.813 -9.459 1.00 0.00 C ATOM 1082 NH1 ARG A 780 -12.567 -13.030 -10.273 1.00 0.00 N ATOM 1083 NH2 ARG A 780 -14.041 -14.760 -9.964 1.00 0.00 N ATOM 0 H ARG A 780 -9.419 -11.299 -6.294 1.00 0.00 H new ATOM 0 HA ARG A 780 -11.155 -10.384 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 780 -12.087 -13.243 -4.943 1.00 0.00 H new ATOM 0 HB3 ARG A 780 -12.961 -11.907 -4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 780 -14.061 -12.351 -6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 780 -13.131 -10.893 -6.542 1.00 0.00 H new ATOM 0 HD2 ARG A 780 -12.054 -11.887 -8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 780 -11.426 -13.105 -7.142 1.00 0.00 H new ATOM 0 HE ARG A 780 -13.737 -14.262 -7.547 1.00 0.00 H new ATOM 0 HH11 ARG A 780 -11.968 -12.299 -9.889 1.00 0.00 H new ATOM 0 HH12 ARG A 780 -12.631 -13.159 -11.283 1.00 0.00 H new ATOM 0 HH21 ARG A 780 -14.579 -15.364 -9.342 1.00 0.00 H new ATOM 0 HH22 ARG A 780 -14.102 -14.885 -10.974 1.00 0.00 H new ATOM 1097 N TYR A 781 -9.315 -11.402 -3.205 1.00 0.00 N ATOM 1098 CA TYR A 781 -8.781 -11.379 -1.857 1.00 0.00 C ATOM 1099 C TYR A 781 -9.352 -10.224 -1.047 1.00 0.00 C ATOM 1100 O TYR A 781 -9.659 -10.387 0.130 1.00 0.00 O ATOM 1101 CB TYR A 781 -7.264 -11.265 -1.938 1.00 0.00 C ATOM 1102 CG TYR A 781 -6.555 -10.906 -0.658 1.00 0.00 C ATOM 1103 CD1 TYR A 781 -6.440 -9.587 -0.268 1.00 0.00 C ATOM 1104 CD2 TYR A 781 -5.955 -11.881 0.129 1.00 0.00 C ATOM 1105 CE1 TYR A 781 -5.752 -9.235 0.865 1.00 0.00 C ATOM 1106 CE2 TYR A 781 -5.270 -11.543 1.277 1.00 0.00 C ATOM 1107 CZ TYR A 781 -5.166 -10.217 1.641 1.00 0.00 C ATOM 1108 OH TYR A 781 -4.467 -9.873 2.776 1.00 0.00 O ATOM 0 H TYR A 781 -8.604 -11.466 -3.933 1.00 0.00 H new ATOM 0 HA TYR A 781 -9.065 -12.301 -1.349 1.00 0.00 H new ATOM 0 HB2 TYR A 781 -6.867 -12.216 -2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 781 -7.016 -10.515 -2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 781 -6.901 -8.816 -0.867 1.00 0.00 H new ATOM 0 HD2 TYR A 781 -6.026 -12.918 -0.162 1.00 0.00 H new ATOM 0 HE1 TYR A 781 -5.669 -8.196 1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 781 -4.818 -12.311 1.887 1.00 0.00 H new ATOM 0 HH TYR A 781 -4.121 -10.683 3.205 1.00 0.00 H new ATOM 1118 N TYR A 782 -9.495 -9.063 -1.685 1.00 0.00 N ATOM 1119 CA TYR A 782 -9.998 -7.880 -1.006 1.00 0.00 C ATOM 1120 C TYR A 782 -11.443 -8.017 -0.607 1.00 0.00 C ATOM 1121 O TYR A 782 -12.344 -7.477 -1.249 1.00 0.00 O ATOM 1122 CB TYR A 782 -9.774 -6.642 -1.864 1.00 0.00 C ATOM 1123 CG TYR A 782 -8.355 -6.533 -2.238 1.00 0.00 C ATOM 1124 CD1 TYR A 782 -7.453 -6.126 -1.312 1.00 0.00 C ATOM 1125 CD2 TYR A 782 -7.905 -6.893 -3.476 1.00 0.00 C ATOM 1126 CE1 TYR A 782 -6.129 -6.078 -1.593 1.00 0.00 C ATOM 1127 CE2 TYR A 782 -6.569 -6.825 -3.776 1.00 0.00 C ATOM 1128 CZ TYR A 782 -5.688 -6.419 -2.820 1.00 0.00 C ATOM 1129 OH TYR A 782 -4.355 -6.383 -3.082 1.00 0.00 O ATOM 0 H TYR A 782 -9.269 -8.921 -2.669 1.00 0.00 H new ATOM 0 HA TYR A 782 -9.433 -7.769 -0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 782 -10.391 -6.696 -2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 782 -10.083 -5.751 -1.317 1.00 0.00 H new ATOM 0 HD1 TYR A 782 -7.797 -5.834 -0.331 1.00 0.00 H new ATOM 0 HD2 TYR A 782 -8.606 -7.233 -4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 782 -5.427 -5.767 -0.834 1.00 0.00 H new ATOM 0 HE2 TYR A 782 -6.218 -7.091 -4.762 1.00 0.00 H new ATOM 0 HH TYR A 782 -3.915 -5.771 -2.456 1.00 0.00 H new ATOM 1139 N VAL A 783 -11.647 -8.752 0.470 1.00 0.00 N ATOM 1140 CA VAL A 783 -12.961 -8.941 1.016 1.00 0.00 C ATOM 1141 C VAL A 783 -13.250 -7.787 1.934 1.00 0.00 C ATOM 1142 O VAL A 783 -14.203 -7.791 2.714 1.00 0.00 O ATOM 1143 CB VAL A 783 -13.067 -10.258 1.785 1.00 0.00 C ATOM 1144 CG1 VAL A 783 -12.969 -11.408 0.820 1.00 0.00 C ATOM 1145 CG2 VAL A 783 -11.988 -10.331 2.834 1.00 0.00 C ATOM 0 H VAL A 783 -10.905 -9.229 0.983 1.00 0.00 H new ATOM 0 HA VAL A 783 -13.686 -8.983 0.203 1.00 0.00 H new ATOM 0 HB VAL A 783 -14.030 -10.313 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 783 -13.044 -12.348 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 783 -13.780 -11.344 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 783 -12.012 -11.366 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 783 -12.071 -11.273 3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 783 -11.011 -10.274 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 783 -12.100 -9.500 3.530 1.00 0.00 H new ATOM 1155 N SER A 784 -12.389 -6.791 1.814 1.00 0.00 N ATOM 1156 CA SER A 784 -12.459 -5.605 2.623 1.00 0.00 C ATOM 1157 C SER A 784 -11.529 -4.538 2.060 1.00 0.00 C ATOM 1158 O SER A 784 -10.352 -4.811 1.826 1.00 0.00 O ATOM 1159 CB SER A 784 -12.047 -5.975 4.031 1.00 0.00 C ATOM 1160 OG SER A 784 -13.170 -6.297 4.833 1.00 0.00 O ATOM 0 H SER A 784 -11.619 -6.791 1.145 1.00 0.00 H new ATOM 0 HA SER A 784 -13.472 -5.203 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 784 -11.365 -6.825 4.000 1.00 0.00 H new ATOM 0 HB3 SER A 784 -11.502 -5.145 4.482 1.00 0.00 H new ATOM 0 HG SER A 784 -13.790 -6.854 4.318 1.00 0.00 H new ATOM 1166 N LYS A 785 -12.048 -3.329 1.821 1.00 0.00 N ATOM 1167 CA LYS A 785 -11.210 -2.255 1.290 1.00 0.00 C ATOM 1168 C LYS A 785 -9.972 -2.105 2.131 1.00 0.00 C ATOM 1169 O LYS A 785 -8.994 -1.563 1.673 1.00 0.00 O ATOM 1170 CB LYS A 785 -11.921 -0.904 1.265 1.00 0.00 C ATOM 1171 CG LYS A 785 -12.562 -0.517 2.591 1.00 0.00 C ATOM 1172 CD LYS A 785 -14.024 -0.141 2.429 1.00 0.00 C ATOM 1173 CE LYS A 785 -14.908 -1.372 2.394 1.00 0.00 C ATOM 1174 NZ LYS A 785 -14.881 -2.112 3.687 1.00 0.00 N ATOM 0 H LYS A 785 -13.022 -3.075 1.983 1.00 0.00 H new ATOM 0 HA LYS A 785 -10.966 -2.538 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 785 -11.205 -0.133 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 785 -12.691 -0.924 0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 785 -12.477 -1.348 3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 785 -12.018 0.322 3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 785 -14.329 0.505 3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 785 -14.155 0.430 1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 785 -15.932 -1.077 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 785 -14.580 -2.032 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 785 -15.752 -2.672 3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 785 -14.057 -2.746 3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 785 -14.815 -1.435 4.473 1.00 0.00 H new ATOM 1188 N LYS A 786 -10.023 -2.578 3.370 1.00 0.00 N ATOM 1189 CA LYS A 786 -8.881 -2.456 4.256 1.00 0.00 C ATOM 1190 C LYS A 786 -7.733 -3.324 3.782 1.00 0.00 C ATOM 1191 O LYS A 786 -6.574 -2.956 3.927 1.00 0.00 O ATOM 1192 CB LYS A 786 -9.267 -2.792 5.695 1.00 0.00 C ATOM 1193 CG LYS A 786 -10.535 -2.094 6.159 1.00 0.00 C ATOM 1194 CD LYS A 786 -10.914 -2.501 7.572 1.00 0.00 C ATOM 1195 CE LYS A 786 -12.257 -1.914 7.978 1.00 0.00 C ATOM 1196 NZ LYS A 786 -12.266 -0.428 7.884 1.00 0.00 N ATOM 0 H LYS A 786 -10.834 -3.044 3.777 1.00 0.00 H new ATOM 0 HA LYS A 786 -8.547 -1.419 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 786 -9.401 -3.870 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 786 -8.446 -2.516 6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 786 -10.392 -1.014 6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 786 -11.352 -2.334 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 786 -10.955 -3.588 7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 786 -10.144 -2.167 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 786 -13.040 -2.323 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 786 -12.490 -2.214 8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 -13.139 -0.058 8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 -11.443 -0.043 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 -12.222 -0.143 6.885 1.00 0.00 H new ATOM 1210 N LEU A 787 -8.050 -4.487 3.251 1.00 0.00 N ATOM 1211 CA LEU A 787 -7.034 -5.359 2.699 1.00 0.00 C ATOM 1212 C LEU A 787 -6.340 -4.617 1.611 1.00 0.00 C ATOM 1213 O LEU A 787 -5.118 -4.544 1.508 1.00 0.00 O ATOM 1214 CB LEU A 787 -7.706 -6.562 2.072 1.00 0.00 C ATOM 1215 CG LEU A 787 -8.072 -7.637 3.039 1.00 0.00 C ATOM 1216 CD1 LEU A 787 -8.811 -8.740 2.319 1.00 0.00 C ATOM 1217 CD2 LEU A 787 -6.818 -8.115 3.730 1.00 0.00 C ATOM 0 H LEU A 787 -9.001 -4.850 3.190 1.00 0.00 H new ATOM 0 HA LEU A 787 -6.340 -5.672 3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -8.608 -6.232 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -7.042 -6.981 1.316 1.00 0.00 H new ATOM 0 HG LEU A 787 -8.748 -7.261 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -9.077 -9.523 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -9.717 -8.336 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -8.173 -9.157 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -7.071 -8.902 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -6.121 -8.506 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -6.355 -7.283 4.260 1.00 0.00 H new ATOM 1229 N PHE A 788 -7.203 -4.076 0.813 1.00 0.00 N ATOM 1230 CA PHE A 788 -6.874 -3.308 -0.333 1.00 0.00 C ATOM 1231 C PHE A 788 -6.109 -2.066 -0.002 1.00 0.00 C ATOM 1232 O PHE A 788 -5.095 -1.751 -0.621 1.00 0.00 O ATOM 1233 CB PHE A 788 -8.161 -2.973 -0.986 1.00 0.00 C ATOM 1234 CG PHE A 788 -7.878 -2.571 -2.344 1.00 0.00 C ATOM 1235 CD1 PHE A 788 -7.570 -1.297 -2.520 1.00 0.00 C ATOM 1236 CD2 PHE A 788 -7.863 -3.432 -3.405 1.00 0.00 C ATOM 1237 CE1 PHE A 788 -7.250 -0.810 -3.723 1.00 0.00 C ATOM 1238 CE2 PHE A 788 -7.539 -2.954 -4.649 1.00 0.00 C ATOM 1239 CZ PHE A 788 -7.234 -1.634 -4.802 1.00 0.00 C ATOM 0 H PHE A 788 -8.209 -4.166 0.955 1.00 0.00 H new ATOM 0 HA PHE A 788 -6.218 -3.881 -0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 788 -8.830 -3.833 -0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 788 -8.665 -2.170 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 788 -7.577 -0.632 -1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 788 -8.103 -4.476 -3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 788 -7.005 0.236 -3.836 1.00 0.00 H new ATOM 0 HE2 PHE A 788 -7.526 -3.618 -5.501 1.00 0.00 H new ATOM 0 HZ PHE A 788 -6.981 -1.245 -5.777 1.00 0.00 H new ATOM 1249 N MET A 789 -6.597 -1.374 0.971 1.00 0.00 N ATOM 1250 CA MET A 789 -5.993 -0.158 1.388 1.00 0.00 C ATOM 1251 C MET A 789 -4.661 -0.461 2.005 1.00 0.00 C ATOM 1252 O MET A 789 -3.653 0.005 1.540 1.00 0.00 O ATOM 1253 CB MET A 789 -6.907 0.533 2.356 1.00 0.00 C ATOM 1254 CG MET A 789 -8.137 1.118 1.684 1.00 0.00 C ATOM 1255 SD MET A 789 -8.895 2.380 2.674 1.00 0.00 S ATOM 1256 CE MET A 789 -7.990 3.720 1.967 1.00 0.00 C ATOM 0 H MET A 789 -7.428 -1.638 1.500 1.00 0.00 H new ATOM 0 HA MET A 789 -5.831 0.506 0.539 1.00 0.00 H new ATOM 0 HB2 MET A 789 -7.219 -0.175 3.123 1.00 0.00 H new ATOM 0 HB3 MET A 789 -6.360 1.329 2.861 1.00 0.00 H new ATOM 0 HG2 MET A 789 -7.858 1.535 0.716 1.00 0.00 H new ATOM 0 HG3 MET A 789 -8.859 0.324 1.493 1.00 0.00 H new ATOM 0 HE1 MET A 789 -7.402 4.211 2.742 1.00 0.00 H new ATOM 0 HE2 MET A 789 -7.324 3.340 1.192 1.00 0.00 H new ATOM 0 HE3 MET A 789 -8.684 4.437 1.529 1.00 0.00 H new ATOM 1266 N ALA A 790 -4.677 -1.301 3.019 1.00 0.00 N ATOM 1267 CA ALA A 790 -3.465 -1.694 3.719 1.00 0.00 C ATOM 1268 C ALA A 790 -2.374 -2.165 2.775 1.00 0.00 C ATOM 1269 O ALA A 790 -1.228 -1.759 2.907 1.00 0.00 O ATOM 1270 CB ALA A 790 -3.777 -2.822 4.672 1.00 0.00 C ATOM 0 H ALA A 790 -5.527 -1.732 3.383 1.00 0.00 H new ATOM 0 HA ALA A 790 -3.105 -0.812 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 790 -2.868 -3.117 5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 790 -4.523 -2.492 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 790 -4.166 -3.673 4.113 1.00 0.00 H new ATOM 1276 N ASP A 791 -2.733 -3.045 1.843 1.00 0.00 N ATOM 1277 CA ASP A 791 -1.768 -3.595 0.898 1.00 0.00 C ATOM 1278 C ASP A 791 -1.305 -2.533 -0.099 1.00 0.00 C ATOM 1279 O ASP A 791 -0.116 -2.344 -0.307 1.00 0.00 O ATOM 1280 CB ASP A 791 -2.347 -4.817 0.192 1.00 0.00 C ATOM 1281 CG ASP A 791 -2.444 -6.022 1.108 1.00 0.00 C ATOM 1282 OD1 ASP A 791 -1.414 -6.397 1.707 1.00 0.00 O ATOM 1283 OD2 ASP A 791 -3.550 -6.590 1.228 1.00 0.00 O ATOM 0 H ASP A 791 -3.685 -3.391 1.723 1.00 0.00 H new ATOM 0 HA ASP A 791 -0.888 -3.918 1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 791 -3.338 -4.576 -0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 791 -1.724 -5.066 -0.667 1.00 0.00 H new ATOM 1288 N LEU A 792 -2.222 -1.844 -0.742 1.00 0.00 N ATOM 1289 CA LEU A 792 -1.809 -0.780 -1.641 1.00 0.00 C ATOM 1290 C LEU A 792 -0.996 0.202 -0.834 1.00 0.00 C ATOM 1291 O LEU A 792 -0.011 0.772 -1.299 1.00 0.00 O ATOM 1292 CB LEU A 792 -3.014 -0.055 -2.228 1.00 0.00 C ATOM 1293 CG LEU A 792 -3.163 -0.115 -3.725 1.00 0.00 C ATOM 1294 CD1 LEU A 792 -4.245 0.841 -4.156 1.00 0.00 C ATOM 1295 CD2 LEU A 792 -1.850 0.196 -4.395 1.00 0.00 C ATOM 0 H LEU A 792 -3.229 -1.991 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 792 -1.234 -1.203 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 792 -3.916 -0.469 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 792 -2.962 0.992 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 792 -3.452 -1.122 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 792 -4.356 0.800 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 792 -5.187 0.561 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 792 -3.976 1.854 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 792 -1.973 0.149 -5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 792 -1.524 1.196 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 792 -1.101 -0.532 -4.083 1.00 0.00 H new ATOM 1307 N GLN A 793 -1.431 0.359 0.402 1.00 0.00 N ATOM 1308 CA GLN A 793 -0.783 1.236 1.343 1.00 0.00 C ATOM 1309 C GLN A 793 0.490 0.569 1.782 1.00 0.00 C ATOM 1310 O GLN A 793 1.398 1.195 2.310 1.00 0.00 O ATOM 1311 CB GLN A 793 -1.715 1.559 2.512 1.00 0.00 C ATOM 1312 CG GLN A 793 -2.814 2.525 2.108 1.00 0.00 C ATOM 1313 CD GLN A 793 -3.953 2.634 3.109 1.00 0.00 C ATOM 1314 OE1 GLN A 793 -5.123 3.051 2.619 1.00 0.00 O flip ATOM 1315 NE2 GLN A 793 -3.783 2.367 4.299 1.00 0.00 N flip ATOM 0 H GLN A 793 -2.248 -0.123 0.778 1.00 0.00 H new ATOM 0 HA GLN A 793 -0.541 2.195 0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 793 -2.161 0.638 2.886 1.00 0.00 H new ATOM 0 HB3 GLN A 793 -1.136 1.988 3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 793 -2.377 3.513 1.964 1.00 0.00 H new ATOM 0 HG3 GLN A 793 -3.220 2.212 1.146 1.00 0.00 H new ATOM 0 HE21 GLN A 793 -2.870 2.052 4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 793 -4.556 2.461 4.958 1.00 0.00 H new ATOM 1324 N ARG A 794 0.516 -0.730 1.552 1.00 0.00 N ATOM 1325 CA ARG A 794 1.663 -1.554 1.848 1.00 0.00 C ATOM 1326 C ARG A 794 2.732 -1.285 0.787 1.00 0.00 C ATOM 1327 O ARG A 794 3.917 -1.479 1.033 1.00 0.00 O ATOM 1328 CB ARG A 794 1.248 -3.033 1.878 1.00 0.00 C ATOM 1329 CG ARG A 794 2.253 -3.940 2.531 1.00 0.00 C ATOM 1330 CD ARG A 794 2.153 -3.813 4.028 1.00 0.00 C ATOM 1331 NE ARG A 794 1.556 -4.991 4.648 1.00 0.00 N ATOM 1332 CZ ARG A 794 0.795 -4.942 5.739 1.00 0.00 C ATOM 1333 NH1 ARG A 794 0.566 -3.784 6.341 1.00 0.00 N ATOM 1334 NH2 ARG A 794 0.263 -6.053 6.229 1.00 0.00 N ATOM 0 H ARG A 794 -0.268 -1.244 1.150 1.00 0.00 H new ATOM 0 HA ARG A 794 2.072 -1.313 2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 794 0.298 -3.122 2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 794 1.078 -3.372 0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 794 2.074 -4.973 2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 794 3.259 -3.682 2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 794 3.148 -3.652 4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 794 1.558 -2.934 4.276 1.00 0.00 H new ATOM 0 HE ARG A 794 1.731 -5.901 4.222 1.00 0.00 H new ATOM 0 HH11 ARG A 794 0.973 -2.926 5.969 1.00 0.00 H new ATOM 0 HH12 ARG A 794 -0.018 -3.750 7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 794 0.437 -6.947 5.770 1.00 0.00 H new ATOM 0 HH22 ARG A 794 -0.320 -6.014 7.065 1.00 0.00 H new ATOM 1348 N VAL A 795 2.297 -0.827 -0.403 1.00 0.00 N ATOM 1349 CA VAL A 795 3.234 -0.491 -1.480 1.00 0.00 C ATOM 1350 C VAL A 795 3.744 0.932 -1.288 1.00 0.00 C ATOM 1351 O VAL A 795 4.923 1.217 -1.491 1.00 0.00 O ATOM 1352 CB VAL A 795 2.626 -0.648 -2.902 1.00 0.00 C ATOM 1353 CG1 VAL A 795 1.431 -1.567 -2.869 1.00 0.00 C ATOM 1354 CG2 VAL A 795 2.251 0.688 -3.529 1.00 0.00 C ATOM 0 H VAL A 795 1.314 -0.684 -0.636 1.00 0.00 H new ATOM 0 HA VAL A 795 4.056 -1.204 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 795 3.400 -1.089 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 795 1.019 -1.664 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 795 1.736 -2.548 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 795 0.672 -1.154 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 795 1.831 0.519 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 795 1.513 1.189 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 795 3.140 1.313 -3.613 1.00 0.00 H new ATOM 1364 N PHE A 796 2.838 1.828 -0.906 1.00 0.00 N ATOM 1365 CA PHE A 796 3.208 3.217 -0.653 1.00 0.00 C ATOM 1366 C PHE A 796 4.082 3.271 0.591 1.00 0.00 C ATOM 1367 O PHE A 796 5.141 3.892 0.594 1.00 0.00 O ATOM 1368 CB PHE A 796 1.988 4.108 -0.430 1.00 0.00 C ATOM 1369 CG PHE A 796 0.772 3.744 -1.236 1.00 0.00 C ATOM 1370 CD1 PHE A 796 0.859 3.428 -2.576 1.00 0.00 C ATOM 1371 CD2 PHE A 796 -0.462 3.706 -0.641 1.00 0.00 C ATOM 1372 CE1 PHE A 796 -0.257 3.077 -3.297 1.00 0.00 C ATOM 1373 CE2 PHE A 796 -1.576 3.354 -1.360 1.00 0.00 C ATOM 1374 CZ PHE A 796 -1.467 3.038 -2.692 1.00 0.00 C ATOM 0 H PHE A 796 1.849 1.619 -0.766 1.00 0.00 H new ATOM 0 HA PHE A 796 3.739 3.586 -1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 796 1.725 4.078 0.627 1.00 0.00 H new ATOM 0 HB3 PHE A 796 2.263 5.137 -0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 796 1.821 3.457 -3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 796 -0.558 3.956 0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 796 -0.169 2.833 -4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 796 -2.542 3.325 -0.877 1.00 0.00 H new ATOM 0 HZ PHE A 796 -2.345 2.759 -3.256 1.00 0.00 H new ATOM 1384 N THR A 797 3.619 2.597 1.651 1.00 0.00 N ATOM 1385 CA THR A 797 4.339 2.559 2.919 1.00 0.00 C ATOM 1386 C THR A 797 5.706 1.911 2.746 1.00 0.00 C ATOM 1387 O THR A 797 6.696 2.411 3.270 1.00 0.00 O ATOM 1388 CB THR A 797 3.557 1.798 4.022 1.00 0.00 C ATOM 1389 OG1 THR A 797 3.940 2.279 5.315 1.00 0.00 O ATOM 1390 CG2 THR A 797 3.813 0.303 3.948 1.00 0.00 C ATOM 0 H THR A 797 2.745 2.070 1.650 1.00 0.00 H new ATOM 0 HA THR A 797 4.455 3.595 3.236 1.00 0.00 H new ATOM 0 HB THR A 797 2.494 1.977 3.860 1.00 0.00 H new ATOM 0 HG1 THR A 797 4.917 2.268 5.392 1.00 0.00 H new ATOM 0 HG21 THR A 797 3.251 -0.202 4.734 1.00 0.00 H new ATOM 0 HG22 THR A 797 3.495 -0.073 2.976 1.00 0.00 H new ATOM 0 HG23 THR A 797 4.877 0.109 4.081 1.00 0.00 H new ATOM 1398 N ASN A 798 5.758 0.788 2.023 1.00 0.00 N ATOM 1399 CA ASN A 798 7.024 0.112 1.798 1.00 0.00 C ATOM 1400 C ASN A 798 7.887 0.988 0.922 1.00 0.00 C ATOM 1401 O ASN A 798 9.114 0.951 1.005 1.00 0.00 O ATOM 1402 CB ASN A 798 6.829 -1.271 1.175 1.00 0.00 C ATOM 1403 CG ASN A 798 7.002 -1.283 -0.333 1.00 0.00 C ATOM 1404 OD1 ASN A 798 6.092 -0.941 -1.078 1.00 0.00 O ATOM 1405 ND2 ASN A 798 8.177 -1.698 -0.791 1.00 0.00 N ATOM 0 H ASN A 798 4.949 0.340 1.593 1.00 0.00 H new ATOM 0 HA ASN A 798 7.516 -0.051 2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 798 7.541 -1.966 1.620 1.00 0.00 H new ATOM 0 HB3 ASN A 798 5.832 -1.635 1.422 1.00 0.00 H new ATOM 0 HD21 ASN A 798 8.347 -1.740 -1.796 1.00 0.00 H new ATOM 0 HD22 ASN A 798 8.910 -1.974 -0.138 1.00 0.00 H new ATOM 1412 N CYS A 799 7.243 1.799 0.085 1.00 0.00 N ATOM 1413 CA CYS A 799 7.990 2.695 -0.754 1.00 0.00 C ATOM 1414 C CYS A 799 8.465 3.869 0.084 1.00 0.00 C ATOM 1415 O CYS A 799 9.467 4.498 -0.196 1.00 0.00 O ATOM 1416 CB CYS A 799 7.210 3.164 -1.956 1.00 0.00 C ATOM 1417 SG CYS A 799 8.013 4.531 -2.806 1.00 0.00 S ATOM 0 H CYS A 799 6.229 1.845 -0.020 1.00 0.00 H new ATOM 0 HA CYS A 799 8.846 2.151 -1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 799 7.083 2.333 -2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 799 6.213 3.471 -1.641 1.00 0.00 H new ATOM 0 HG CYS A 799 7.447 4.715 -3.962 1.00 0.00 H new ATOM 1423 N LYS A 800 7.695 4.155 1.112 1.00 0.00 N ATOM 1424 CA LYS A 800 7.984 5.216 2.059 1.00 0.00 C ATOM 1425 C LYS A 800 8.942 4.718 3.145 1.00 0.00 C ATOM 1426 O LYS A 800 9.602 5.497 3.833 1.00 0.00 O ATOM 1427 CB LYS A 800 6.674 5.621 2.687 1.00 0.00 C ATOM 1428 CG LYS A 800 5.852 6.582 1.878 1.00 0.00 C ATOM 1429 CD LYS A 800 4.378 6.350 2.138 1.00 0.00 C ATOM 1430 CE LYS A 800 3.563 7.527 1.684 1.00 0.00 C ATOM 1431 NZ LYS A 800 2.099 7.275 1.790 1.00 0.00 N ATOM 0 H LYS A 800 6.834 3.648 1.319 1.00 0.00 H new ATOM 0 HA LYS A 800 8.457 6.058 1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 800 6.082 4.724 2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 800 6.878 6.070 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 800 6.118 7.607 2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 800 6.067 6.454 0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 800 4.049 5.452 1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 800 4.215 6.178 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 800 3.824 8.399 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 800 3.815 7.764 0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.600 8.178 1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 1.762 6.814 0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 1.911 6.657 2.605 1.00 0.00 H new ATOM 1445 N GLU A 801 8.986 3.397 3.284 1.00 0.00 N ATOM 1446 CA GLU A 801 9.785 2.717 4.304 1.00 0.00 C ATOM 1447 C GLU A 801 11.261 2.631 3.959 1.00 0.00 C ATOM 1448 O GLU A 801 12.125 3.165 4.654 1.00 0.00 O ATOM 1449 CB GLU A 801 9.276 1.282 4.395 1.00 0.00 C ATOM 1450 CG GLU A 801 8.652 0.898 5.724 1.00 0.00 C ATOM 1451 CD GLU A 801 7.781 1.995 6.306 1.00 0.00 C ATOM 1452 OE1 GLU A 801 6.573 2.025 5.990 1.00 0.00 O ATOM 1453 OE2 GLU A 801 8.307 2.824 7.079 1.00 0.00 O ATOM 0 H GLU A 801 8.462 2.758 2.685 1.00 0.00 H new ATOM 0 HA GLU A 801 9.686 3.286 5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 801 8.539 1.125 3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 801 10.107 0.606 4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 801 8.053 -0.003 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 801 9.442 0.654 6.434 1.00 0.00 H new ATOM 1460 N TYR A 802 11.509 1.944 2.868 1.00 0.00 N ATOM 1461 CA TYR A 802 12.841 1.685 2.368 1.00 0.00 C ATOM 1462 C TYR A 802 13.394 2.882 1.639 1.00 0.00 C ATOM 1463 O TYR A 802 14.442 3.425 1.983 1.00 0.00 O ATOM 1464 CB TYR A 802 12.713 0.484 1.430 1.00 0.00 C ATOM 1465 CG TYR A 802 13.889 0.118 0.576 1.00 0.00 C ATOM 1466 CD1 TYR A 802 15.121 0.764 0.622 1.00 0.00 C ATOM 1467 CD2 TYR A 802 13.724 -0.911 -0.310 1.00 0.00 C ATOM 1468 CE1 TYR A 802 16.151 0.372 -0.208 1.00 0.00 C ATOM 1469 CE2 TYR A 802 14.730 -1.307 -1.137 1.00 0.00 C ATOM 1470 CZ TYR A 802 15.950 -0.666 -1.089 1.00 0.00 C ATOM 1471 OH TYR A 802 16.967 -1.062 -1.921 1.00 0.00 O ATOM 0 H TYR A 802 10.773 1.540 2.289 1.00 0.00 H new ATOM 0 HA TYR A 802 13.534 1.481 3.184 1.00 0.00 H new ATOM 0 HB2 TYR A 802 12.460 -0.385 2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 802 11.867 0.668 0.768 1.00 0.00 H new ATOM 0 HD1 TYR A 802 15.272 1.580 1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 802 12.773 -1.421 -0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 802 17.106 0.875 -0.167 1.00 0.00 H new ATOM 0 HE2 TYR A 802 14.573 -2.121 -1.829 1.00 0.00 H new ATOM 0 HH TYR A 802 17.608 -0.328 -2.026 1.00 0.00 H new ATOM 1481 N ASN A 803 12.661 3.280 0.644 1.00 0.00 N ATOM 1482 CA ASN A 803 13.048 4.384 -0.202 1.00 0.00 C ATOM 1483 C ASN A 803 13.194 5.685 0.562 1.00 0.00 C ATOM 1484 O ASN A 803 12.646 5.849 1.651 1.00 0.00 O ATOM 1485 CB ASN A 803 11.996 4.573 -1.273 1.00 0.00 C ATOM 1486 CG ASN A 803 11.658 3.283 -2.001 1.00 0.00 C ATOM 1487 OD1 ASN A 803 12.619 2.369 -2.078 1.00 0.00 O flip ATOM 1488 ND2 ASN A 803 10.542 3.109 -2.490 1.00 0.00 N flip ATOM 0 H ASN A 803 11.772 2.850 0.389 1.00 0.00 H new ATOM 0 HA ASN A 803 14.020 4.139 -0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 803 11.091 4.977 -0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 803 12.347 5.311 -1.995 1.00 0.00 H new ATOM 0 HD21 ASN A 803 9.831 3.836 -2.409 1.00 0.00 H new ATOM 0 HD22 ASN A 803 10.328 2.238 -2.976 1.00 0.00 H new ATOM 1495 N PRO A 804 14.001 6.603 0.007 1.00 0.00 N ATOM 1496 CA PRO A 804 14.189 7.945 0.540 1.00 0.00 C ATOM 1497 C PRO A 804 13.231 8.914 -0.147 1.00 0.00 C ATOM 1498 O PRO A 804 12.944 8.760 -1.333 1.00 0.00 O ATOM 1499 CB PRO A 804 15.606 8.251 0.119 1.00 0.00 C ATOM 1500 CG PRO A 804 15.673 7.651 -1.243 1.00 0.00 C ATOM 1501 CD PRO A 804 14.871 6.379 -1.167 1.00 0.00 C ATOM 0 HA PRO A 804 14.011 8.027 1.612 1.00 0.00 H new ATOM 0 HB2 PRO A 804 15.801 9.323 0.100 1.00 0.00 H new ATOM 0 HB3 PRO A 804 16.336 7.806 0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 804 15.262 8.329 -1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 804 16.704 7.447 -1.531 1.00 0.00 H new ATOM 0 HD2 PRO A 804 14.290 6.214 -2.074 1.00 0.00 H new ATOM 0 HD3 PRO A 804 15.510 5.506 -1.035 1.00 0.00 H new ATOM 1509 N PRO A 805 12.737 9.931 0.564 1.00 0.00 N ATOM 1510 CA PRO A 805 11.788 10.896 0.001 1.00 0.00 C ATOM 1511 C PRO A 805 12.432 11.788 -1.057 1.00 0.00 C ATOM 1512 O PRO A 805 11.874 12.822 -1.429 1.00 0.00 O ATOM 1513 CB PRO A 805 11.358 11.734 1.209 1.00 0.00 C ATOM 1514 CG PRO A 805 11.856 10.996 2.406 1.00 0.00 C ATOM 1515 CD PRO A 805 13.071 10.246 1.951 1.00 0.00 C ATOM 0 HA PRO A 805 10.959 10.399 -0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 805 11.783 12.737 1.162 1.00 0.00 H new ATOM 0 HB3 PRO A 805 10.274 11.848 1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 805 12.102 11.684 3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 805 11.096 10.314 2.788 1.00 0.00 H new ATOM 0 HD2 PRO A 805 13.975 10.851 2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 805 13.240 9.347 2.543 1.00 0.00 H new ATOM 1523 N GLU A 806 13.610 11.388 -1.541 1.00 0.00 N ATOM 1524 CA GLU A 806 14.320 12.171 -2.544 1.00 0.00 C ATOM 1525 C GLU A 806 14.625 11.360 -3.803 1.00 0.00 C ATOM 1526 O GLU A 806 14.905 11.930 -4.858 1.00 0.00 O ATOM 1527 CB GLU A 806 15.624 12.703 -1.958 1.00 0.00 C ATOM 1528 CG GLU A 806 15.430 13.552 -0.712 1.00 0.00 C ATOM 1529 CD GLU A 806 16.728 14.150 -0.207 1.00 0.00 C ATOM 1530 OE1 GLU A 806 17.518 13.414 0.419 1.00 0.00 O ATOM 1531 OE2 GLU A 806 16.954 15.358 -0.438 1.00 0.00 O ATOM 0 H GLU A 806 14.086 10.533 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 806 13.669 12.997 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 806 16.274 11.862 -1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 806 16.138 13.296 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 806 14.725 14.354 -0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 806 14.985 12.941 0.074 1.00 0.00 H new ATOM 1538 N SER A 807 14.576 10.037 -3.691 1.00 0.00 N ATOM 1539 CA SER A 807 14.860 9.164 -4.833 1.00 0.00 C ATOM 1540 C SER A 807 13.951 9.484 -6.003 1.00 0.00 C ATOM 1541 O SER A 807 14.334 10.209 -6.921 1.00 0.00 O ATOM 1542 CB SER A 807 14.700 7.709 -4.444 1.00 0.00 C ATOM 1543 OG SER A 807 15.955 7.110 -4.179 1.00 0.00 O ATOM 0 H SER A 807 14.344 9.544 -2.828 1.00 0.00 H new ATOM 0 HA SER A 807 15.892 9.340 -5.136 1.00 0.00 H new ATOM 0 HB2 SER A 807 14.064 7.633 -3.562 1.00 0.00 H new ATOM 0 HB3 SER A 807 14.198 7.168 -5.246 1.00 0.00 H new ATOM 0 HG SER A 807 15.851 6.136 -4.142 1.00 0.00 H new ATOM 1549 N GLU A 808 12.739 8.948 -5.948 1.00 0.00 N ATOM 1550 CA GLU A 808 11.758 9.154 -6.999 1.00 0.00 C ATOM 1551 C GLU A 808 10.492 8.364 -6.694 1.00 0.00 C ATOM 1552 O GLU A 808 9.381 8.885 -6.799 1.00 0.00 O ATOM 1553 CB GLU A 808 12.342 8.733 -8.348 1.00 0.00 C ATOM 1554 CG GLU A 808 11.310 8.606 -9.446 1.00 0.00 C ATOM 1555 CD GLU A 808 11.903 8.813 -10.826 1.00 0.00 C ATOM 1556 OE1 GLU A 808 12.613 7.907 -11.311 1.00 0.00 O ATOM 1557 OE2 GLU A 808 11.658 9.883 -11.422 1.00 0.00 O ATOM 0 H GLU A 808 12.412 8.363 -5.179 1.00 0.00 H new ATOM 0 HA GLU A 808 11.502 10.213 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 808 13.094 9.461 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 808 12.853 7.778 -8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 808 10.850 7.619 -9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 808 10.517 9.336 -9.281 1.00 0.00 H new ATOM 1564 N TYR A 809 10.669 7.103 -6.318 1.00 0.00 N ATOM 1565 CA TYR A 809 9.539 6.244 -5.983 1.00 0.00 C ATOM 1566 C TYR A 809 8.834 6.691 -4.708 1.00 0.00 C ATOM 1567 O TYR A 809 7.611 6.604 -4.602 1.00 0.00 O ATOM 1568 CB TYR A 809 9.965 4.796 -5.806 1.00 0.00 C ATOM 1569 CG TYR A 809 11.373 4.603 -5.327 1.00 0.00 C ATOM 1570 CD1 TYR A 809 11.972 5.442 -4.419 1.00 0.00 C ATOM 1571 CD2 TYR A 809 12.103 3.560 -5.800 1.00 0.00 C ATOM 1572 CE1 TYR A 809 13.260 5.222 -4.012 1.00 0.00 C ATOM 1573 CE2 TYR A 809 13.371 3.336 -5.404 1.00 0.00 C ATOM 1574 CZ TYR A 809 13.961 4.167 -4.505 1.00 0.00 C ATOM 1575 OH TYR A 809 15.253 3.946 -4.094 1.00 0.00 O ATOM 0 H TYR A 809 11.581 6.653 -6.237 1.00 0.00 H new ATOM 0 HA TYR A 809 8.850 6.326 -6.824 1.00 0.00 H new ATOM 0 HB2 TYR A 809 9.288 4.318 -5.098 1.00 0.00 H new ATOM 0 HB3 TYR A 809 9.847 4.279 -6.759 1.00 0.00 H new ATOM 0 HD1 TYR A 809 11.422 6.283 -4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 809 11.653 2.889 -6.516 1.00 0.00 H new ATOM 0 HE1 TYR A 809 13.720 5.888 -3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 809 13.919 2.495 -5.802 1.00 0.00 H new ATOM 0 HH TYR A 809 15.558 3.077 -4.428 1.00 0.00 H new ATOM 1585 N TYR A 810 9.611 7.175 -3.743 1.00 0.00 N ATOM 1586 CA TYR A 810 9.074 7.573 -2.450 1.00 0.00 C ATOM 1587 C TYR A 810 7.953 8.590 -2.586 1.00 0.00 C ATOM 1588 O TYR A 810 6.825 8.331 -2.169 1.00 0.00 O ATOM 1589 CB TYR A 810 10.190 8.124 -1.567 1.00 0.00 C ATOM 1590 CG TYR A 810 9.832 8.183 -0.101 1.00 0.00 C ATOM 1591 CD1 TYR A 810 8.628 8.703 0.312 1.00 0.00 C ATOM 1592 CD2 TYR A 810 10.707 7.725 0.864 1.00 0.00 C ATOM 1593 CE1 TYR A 810 8.304 8.768 1.648 1.00 0.00 C ATOM 1594 CE2 TYR A 810 10.394 7.783 2.205 1.00 0.00 C ATOM 1595 CZ TYR A 810 9.188 8.308 2.593 1.00 0.00 C ATOM 1596 OH TYR A 810 8.863 8.373 3.928 1.00 0.00 O ATOM 0 H TYR A 810 10.619 7.301 -3.835 1.00 0.00 H new ATOM 0 HA TYR A 810 8.649 6.685 -1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 810 11.078 7.504 -1.690 1.00 0.00 H new ATOM 0 HB3 TYR A 810 10.450 9.126 -1.909 1.00 0.00 H new ATOM 0 HD1 TYR A 810 7.926 9.066 -0.424 1.00 0.00 H new ATOM 0 HD2 TYR A 810 11.658 7.312 0.561 1.00 0.00 H new ATOM 0 HE1 TYR A 810 7.354 9.181 1.953 1.00 0.00 H new ATOM 0 HE2 TYR A 810 11.092 7.418 2.944 1.00 0.00 H new ATOM 0 HH TYR A 810 9.002 7.495 4.342 1.00 0.00 H new ATOM 1606 N LYS A 811 8.252 9.748 -3.142 1.00 0.00 N ATOM 1607 CA LYS A 811 7.225 10.761 -3.320 1.00 0.00 C ATOM 1608 C LYS A 811 6.122 10.194 -4.185 1.00 0.00 C ATOM 1609 O LYS A 811 4.972 10.587 -4.066 1.00 0.00 O ATOM 1610 CB LYS A 811 7.790 12.032 -3.949 1.00 0.00 C ATOM 1611 CG LYS A 811 9.141 11.820 -4.585 1.00 0.00 C ATOM 1612 CD LYS A 811 9.187 12.322 -6.019 1.00 0.00 C ATOM 1613 CE LYS A 811 8.121 11.659 -6.872 1.00 0.00 C ATOM 1614 NZ LYS A 811 8.453 11.712 -8.322 1.00 0.00 N ATOM 0 H LYS A 811 9.180 10.010 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 811 6.830 11.033 -2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 811 7.093 12.400 -4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 811 7.871 12.805 -3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 811 9.902 12.334 -3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 811 9.387 10.758 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 811 9.046 13.403 -6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 811 10.171 12.124 -6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 811 8.005 10.620 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 811 7.163 12.150 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 8.046 10.884 -8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 8.059 12.581 -8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 9.486 11.709 -8.442 1.00 0.00 H new ATOM 1628 N CYS A 812 6.492 9.265 -5.061 1.00 0.00 N ATOM 1629 CA CYS A 812 5.528 8.605 -5.927 1.00 0.00 C ATOM 1630 C CYS A 812 4.590 7.765 -5.079 1.00 0.00 C ATOM 1631 O CYS A 812 3.445 7.534 -5.441 1.00 0.00 O ATOM 1632 CB CYS A 812 6.239 7.715 -6.948 1.00 0.00 C ATOM 1633 SG CYS A 812 6.752 8.574 -8.455 1.00 0.00 S ATOM 0 H CYS A 812 7.455 8.954 -5.188 1.00 0.00 H new ATOM 0 HA CYS A 812 4.961 9.363 -6.468 1.00 0.00 H new ATOM 0 HB2 CYS A 812 7.118 7.274 -6.478 1.00 0.00 H new ATOM 0 HB3 CYS A 812 5.577 6.893 -7.220 1.00 0.00 H new ATOM 0 HG CYS A 812 7.994 8.941 -8.344 1.00 0.00 H new ATOM 1639 N ALA A 813 5.094 7.313 -3.942 1.00 0.00 N ATOM 1640 CA ALA A 813 4.307 6.509 -3.024 1.00 0.00 C ATOM 1641 C ALA A 813 3.287 7.384 -2.331 1.00 0.00 C ATOM 1642 O ALA A 813 2.127 7.023 -2.216 1.00 0.00 O ATOM 1643 CB ALA A 813 5.212 5.828 -2.017 1.00 0.00 C ATOM 0 H ALA A 813 6.050 7.491 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 813 3.780 5.734 -3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 813 4.610 5.228 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 813 5.918 5.183 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 813 5.759 6.582 -1.451 1.00 0.00 H new ATOM 1649 N ASN A 814 3.745 8.541 -1.878 1.00 0.00 N ATOM 1650 CA ASN A 814 2.906 9.513 -1.214 1.00 0.00 C ATOM 1651 C ASN A 814 1.930 10.119 -2.218 1.00 0.00 C ATOM 1652 O ASN A 814 0.757 10.350 -1.923 1.00 0.00 O ATOM 1653 CB ASN A 814 3.798 10.601 -0.650 1.00 0.00 C ATOM 1654 CG ASN A 814 3.090 11.483 0.360 1.00 0.00 C ATOM 1655 OD1 ASN A 814 3.109 11.211 1.560 1.00 0.00 O ATOM 1656 ND2 ASN A 814 2.457 12.547 -0.123 1.00 0.00 N ATOM 0 H ASN A 814 4.720 8.829 -1.964 1.00 0.00 H new ATOM 0 HA ASN A 814 2.338 9.038 -0.414 1.00 0.00 H new ATOM 0 HB2 ASN A 814 4.667 10.142 -0.178 1.00 0.00 H new ATOM 0 HB3 ASN A 814 4.169 11.219 -1.467 1.00 0.00 H new ATOM 0 HD21 ASN A 814 1.961 13.176 0.509 1.00 0.00 H new ATOM 0 HD22 ASN A 814 2.467 12.735 -1.126 1.00 0.00 H new ATOM 1663 N ILE A 815 2.453 10.356 -3.416 1.00 0.00 N ATOM 1664 CA ILE A 815 1.691 10.923 -4.515 1.00 0.00 C ATOM 1665 C ILE A 815 0.580 9.979 -4.890 1.00 0.00 C ATOM 1666 O ILE A 815 -0.593 10.343 -4.923 1.00 0.00 O ATOM 1667 CB ILE A 815 2.595 11.168 -5.731 1.00 0.00 C ATOM 1668 CG1 ILE A 815 3.280 12.513 -5.596 1.00 0.00 C ATOM 1669 CG2 ILE A 815 1.809 11.093 -7.023 1.00 0.00 C ATOM 1670 CD1 ILE A 815 4.632 12.549 -6.232 1.00 0.00 C ATOM 0 H ILE A 815 3.426 10.157 -3.650 1.00 0.00 H new ATOM 0 HA ILE A 815 1.273 11.878 -4.198 1.00 0.00 H new ATOM 0 HB ILE A 815 3.352 10.385 -5.763 1.00 0.00 H new ATOM 0 HG12 ILE A 815 2.652 13.281 -6.048 1.00 0.00 H new ATOM 0 HG13 ILE A 815 3.376 12.761 -4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 815 2.477 11.271 -7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 815 1.359 10.105 -7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 815 1.024 11.850 -7.016 1.00 0.00 H new ATOM 0 HD11 ILE A 815 5.070 13.539 -6.101 1.00 0.00 H new ATOM 0 HD12 ILE A 815 5.274 11.803 -5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 815 4.539 12.331 -7.296 1.00 0.00 H new ATOM 1682 N LEU A 816 0.978 8.761 -5.197 1.00 0.00 N ATOM 1683 CA LEU A 816 0.044 7.718 -5.526 1.00 0.00 C ATOM 1684 C LEU A 816 -0.938 7.593 -4.385 1.00 0.00 C ATOM 1685 O LEU A 816 -2.134 7.732 -4.560 1.00 0.00 O ATOM 1686 CB LEU A 816 0.788 6.408 -5.715 1.00 0.00 C ATOM 1687 CG LEU A 816 0.142 5.417 -6.652 1.00 0.00 C ATOM 1688 CD1 LEU A 816 0.940 4.152 -6.674 1.00 0.00 C ATOM 1689 CD2 LEU A 816 -1.268 5.173 -6.236 1.00 0.00 C ATOM 0 H LEU A 816 1.956 8.473 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 816 -0.482 7.955 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 816 1.789 6.630 -6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 816 0.906 5.935 -4.740 1.00 0.00 H new ATOM 0 HG LEU A 816 0.124 5.820 -7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 816 0.471 3.438 -7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 816 1.952 4.366 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 816 0.978 3.729 -5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 816 -1.729 4.457 -6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 816 -1.284 4.773 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 816 -1.823 6.110 -6.265 1.00 0.00 H new ATOM 1701 N GLU A 817 -0.393 7.353 -3.208 1.00 0.00 N ATOM 1702 CA GLU A 817 -1.183 7.219 -1.997 1.00 0.00 C ATOM 1703 C GLU A 817 -2.249 8.323 -1.926 1.00 0.00 C ATOM 1704 O GLU A 817 -3.308 8.151 -1.342 1.00 0.00 O ATOM 1705 CB GLU A 817 -0.252 7.317 -0.792 1.00 0.00 C ATOM 1706 CG GLU A 817 -0.889 6.892 0.521 1.00 0.00 C ATOM 1707 CD GLU A 817 -1.331 8.072 1.364 1.00 0.00 C ATOM 1708 OE1 GLU A 817 -2.447 8.583 1.136 1.00 0.00 O ATOM 1709 OE2 GLU A 817 -0.559 8.487 2.254 1.00 0.00 O ATOM 0 H GLU A 817 0.611 7.245 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 817 -1.690 6.254 -1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 817 0.627 6.698 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 817 0.096 8.346 -0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 817 -1.749 6.256 0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 817 -0.178 6.291 1.088 1.00 0.00 H new ATOM 1716 N LYS A 818 -1.942 9.465 -2.516 1.00 0.00 N ATOM 1717 CA LYS A 818 -2.830 10.596 -2.556 1.00 0.00 C ATOM 1718 C LYS A 818 -3.895 10.414 -3.646 1.00 0.00 C ATOM 1719 O LYS A 818 -5.093 10.511 -3.372 1.00 0.00 O ATOM 1720 CB LYS A 818 -1.939 11.780 -2.767 1.00 0.00 C ATOM 1721 CG LYS A 818 -2.401 12.710 -3.818 1.00 0.00 C ATOM 1722 CD LYS A 818 -1.226 13.447 -4.428 1.00 0.00 C ATOM 1723 CE LYS A 818 -1.274 13.390 -5.941 1.00 0.00 C ATOM 1724 NZ LYS A 818 -2.493 14.050 -6.485 1.00 0.00 N ATOM 0 H LYS A 818 -1.052 9.627 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 818 -3.407 10.723 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 818 -1.852 12.326 -1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 818 -0.940 11.427 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 818 -2.933 12.158 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 818 -3.106 13.425 -3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 818 -1.234 14.486 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 818 -0.293 13.008 -4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 818 -0.387 13.873 -6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 818 -1.249 12.350 -6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 -2.423 14.109 -7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 -3.333 13.494 -6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 -2.576 15.008 -6.088 1.00 0.00 H new ATOM 1738 N PHE A 819 -3.458 10.154 -4.879 1.00 0.00 N ATOM 1739 CA PHE A 819 -4.384 9.901 -5.982 1.00 0.00 C ATOM 1740 C PHE A 819 -5.258 8.731 -5.573 1.00 0.00 C ATOM 1741 O PHE A 819 -6.486 8.814 -5.568 1.00 0.00 O ATOM 1742 CB PHE A 819 -3.580 9.590 -7.251 1.00 0.00 C ATOM 1743 CG PHE A 819 -4.304 8.838 -8.349 1.00 0.00 C ATOM 1744 CD1 PHE A 819 -4.723 7.525 -8.170 1.00 0.00 C ATOM 1745 CD2 PHE A 819 -4.510 9.431 -9.584 1.00 0.00 C ATOM 1746 CE1 PHE A 819 -5.330 6.827 -9.178 1.00 0.00 C ATOM 1747 CE2 PHE A 819 -5.131 8.737 -10.606 1.00 0.00 C ATOM 1748 CZ PHE A 819 -5.539 7.432 -10.404 1.00 0.00 C ATOM 0 H PHE A 819 -2.472 10.113 -5.138 1.00 0.00 H new ATOM 0 HA PHE A 819 -5.012 10.766 -6.195 1.00 0.00 H new ATOM 0 HB2 PHE A 819 -3.219 10.532 -7.665 1.00 0.00 H new ATOM 0 HB3 PHE A 819 -2.702 9.011 -6.964 1.00 0.00 H new ATOM 0 HD1 PHE A 819 -4.566 7.046 -7.215 1.00 0.00 H new ATOM 0 HD2 PHE A 819 -4.182 10.446 -9.750 1.00 0.00 H new ATOM 0 HE1 PHE A 819 -5.645 5.807 -9.017 1.00 0.00 H new ATOM 0 HE2 PHE A 819 -5.297 9.214 -11.561 1.00 0.00 H new ATOM 0 HZ PHE A 819 -6.020 6.886 -11.202 1.00 0.00 H new ATOM 1758 N PHE A 820 -4.584 7.633 -5.257 1.00 0.00 N ATOM 1759 CA PHE A 820 -5.223 6.435 -4.762 1.00 0.00 C ATOM 1760 C PHE A 820 -6.265 6.837 -3.751 1.00 0.00 C ATOM 1761 O PHE A 820 -7.402 6.410 -3.852 1.00 0.00 O ATOM 1762 CB PHE A 820 -4.151 5.508 -4.188 1.00 0.00 C ATOM 1763 CG PHE A 820 -4.455 4.817 -2.901 1.00 0.00 C ATOM 1764 CD1 PHE A 820 -5.027 3.610 -2.958 1.00 0.00 C ATOM 1765 CD2 PHE A 820 -4.097 5.319 -1.669 1.00 0.00 C ATOM 1766 CE1 PHE A 820 -5.270 2.873 -1.847 1.00 0.00 C ATOM 1767 CE2 PHE A 820 -4.350 4.587 -0.516 1.00 0.00 C ATOM 1768 CZ PHE A 820 -4.943 3.346 -0.617 1.00 0.00 C ATOM 0 H PHE A 820 -3.570 7.555 -5.340 1.00 0.00 H new ATOM 0 HA PHE A 820 -5.731 5.884 -5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 820 -3.930 4.746 -4.935 1.00 0.00 H new ATOM 0 HB3 PHE A 820 -3.241 6.091 -4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 820 -5.305 3.209 -3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 820 -3.618 6.285 -1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 820 -5.728 1.900 -1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 820 -4.085 4.986 0.452 1.00 0.00 H new ATOM 0 HZ PHE A 820 -5.144 2.760 0.268 1.00 0.00 H new ATOM 1778 N PHE A 821 -5.891 7.729 -2.830 1.00 0.00 N ATOM 1779 CA PHE A 821 -6.828 8.196 -1.820 1.00 0.00 C ATOM 1780 C PHE A 821 -8.098 8.754 -2.439 1.00 0.00 C ATOM 1781 O PHE A 821 -9.185 8.523 -1.931 1.00 0.00 O ATOM 1782 CB PHE A 821 -6.175 9.190 -0.873 1.00 0.00 C ATOM 1783 CG PHE A 821 -5.977 8.578 0.476 1.00 0.00 C ATOM 1784 CD1 PHE A 821 -5.215 7.446 0.566 1.00 0.00 C ATOM 1785 CD2 PHE A 821 -6.592 9.068 1.614 1.00 0.00 C ATOM 1786 CE1 PHE A 821 -5.044 6.787 1.757 1.00 0.00 C ATOM 1787 CE2 PHE A 821 -6.419 8.426 2.831 1.00 0.00 C ATOM 1788 CZ PHE A 821 -5.643 7.278 2.902 1.00 0.00 C ATOM 0 H PHE A 821 -4.957 8.135 -2.767 1.00 0.00 H new ATOM 0 HA PHE A 821 -7.122 7.330 -1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 821 -5.215 9.510 -1.278 1.00 0.00 H new ATOM 0 HB3 PHE A 821 -6.797 10.081 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 821 -4.736 7.061 -0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 821 -7.208 9.953 1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 821 -4.445 5.890 1.800 1.00 0.00 H new ATOM 0 HE2 PHE A 821 -6.887 8.819 3.721 1.00 0.00 H new ATOM 0 HZ PHE A 821 -5.508 6.771 3.846 1.00 0.00 H new ATOM 1798 N SER A 822 -7.973 9.469 -3.542 1.00 0.00 N ATOM 1799 CA SER A 822 -9.147 10.016 -4.207 1.00 0.00 C ATOM 1800 C SER A 822 -9.960 8.898 -4.867 1.00 0.00 C ATOM 1801 O SER A 822 -11.158 9.040 -5.087 1.00 0.00 O ATOM 1802 CB SER A 822 -8.736 11.060 -5.246 1.00 0.00 C ATOM 1803 OG SER A 822 -9.864 11.549 -5.953 1.00 0.00 O ATOM 0 H SER A 822 -7.084 9.684 -3.994 1.00 0.00 H new ATOM 0 HA SER A 822 -9.772 10.501 -3.457 1.00 0.00 H new ATOM 0 HB2 SER A 822 -8.226 11.887 -4.753 1.00 0.00 H new ATOM 0 HB3 SER A 822 -8.026 10.620 -5.947 1.00 0.00 H new ATOM 0 HG SER A 822 -9.574 12.216 -6.610 1.00 0.00 H new ATOM 1809 N LYS A 823 -9.289 7.784 -5.160 1.00 0.00 N ATOM 1810 CA LYS A 823 -9.917 6.620 -5.805 1.00 0.00 C ATOM 1811 C LYS A 823 -10.654 5.740 -4.813 1.00 0.00 C ATOM 1812 O LYS A 823 -11.729 5.218 -5.100 1.00 0.00 O ATOM 1813 CB LYS A 823 -8.833 5.795 -6.492 1.00 0.00 C ATOM 1814 CG LYS A 823 -8.048 6.568 -7.517 1.00 0.00 C ATOM 1815 CD LYS A 823 -8.947 7.196 -8.547 1.00 0.00 C ATOM 1816 CE LYS A 823 -8.426 8.541 -8.975 1.00 0.00 C ATOM 1817 NZ LYS A 823 -8.226 9.460 -7.823 1.00 0.00 N ATOM 0 H LYS A 823 -8.297 7.658 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 823 -10.647 6.990 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 823 -8.148 5.409 -5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 823 -9.294 4.933 -6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 823 -7.466 7.344 -7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 823 -7.339 5.903 -8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 823 -9.025 6.540 -9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 823 -9.952 7.305 -8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 823 -7.481 8.411 -9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 823 -9.125 8.992 -9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 -8.132 10.436 -8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 -9.043 9.397 -7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 -7.363 9.190 -7.310 1.00 0.00 H new ATOM 1831 N ILE A 824 -10.066 5.579 -3.654 1.00 0.00 N ATOM 1832 CA ILE A 824 -10.655 4.770 -2.611 1.00 0.00 C ATOM 1833 C ILE A 824 -11.825 5.540 -2.051 1.00 0.00 C ATOM 1834 O ILE A 824 -12.925 5.028 -1.893 1.00 0.00 O ATOM 1835 CB ILE A 824 -9.653 4.501 -1.503 1.00 0.00 C ATOM 1836 CG1 ILE A 824 -8.588 5.529 -1.535 1.00 0.00 C ATOM 1837 CG2 ILE A 824 -9.036 3.138 -1.659 1.00 0.00 C ATOM 1838 CD1 ILE A 824 -7.456 5.235 -0.623 1.00 0.00 C ATOM 0 H ILE A 824 -9.171 6.001 -3.406 1.00 0.00 H new ATOM 0 HA ILE A 824 -10.969 3.809 -3.019 1.00 0.00 H new ATOM 0 HB ILE A 824 -10.177 4.540 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 824 -8.210 5.618 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 824 -9.018 6.495 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 824 -8.321 2.968 -0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 824 -9.817 2.378 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 824 -8.522 3.079 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 824 -6.713 6.029 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 824 -7.821 5.175 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 824 -7.001 4.285 -0.902 1.00 0.00 H new ATOM 1850 N LYS A 825 -11.554 6.811 -1.801 1.00 0.00 N ATOM 1851 CA LYS A 825 -12.544 7.729 -1.281 1.00 0.00 C ATOM 1852 C LYS A 825 -13.772 7.664 -2.153 1.00 0.00 C ATOM 1853 O LYS A 825 -14.899 7.485 -1.691 1.00 0.00 O ATOM 1854 CB LYS A 825 -12.026 9.156 -1.322 1.00 0.00 C ATOM 1855 CG LYS A 825 -11.949 9.804 0.040 1.00 0.00 C ATOM 1856 CD LYS A 825 -11.409 11.209 -0.043 1.00 0.00 C ATOM 1857 CE LYS A 825 -9.924 11.191 -0.334 1.00 0.00 C ATOM 1858 NZ LYS A 825 -9.535 12.231 -1.329 1.00 0.00 N ATOM 0 H LYS A 825 -10.638 7.232 -1.955 1.00 0.00 H new ATOM 0 HA LYS A 825 -12.769 7.449 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -11.035 9.162 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -12.675 9.752 -1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -12.941 9.821 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.312 9.207 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.932 11.760 -0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.595 11.732 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -9.372 11.351 0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -9.640 10.207 -0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -8.556 12.066 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -10.171 12.181 -2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -9.606 13.173 -0.893 1.00 0.00 H new ATOM 1872 N GLU A 826 -13.503 7.820 -3.439 1.00 0.00 N ATOM 1873 CA GLU A 826 -14.523 7.798 -4.465 1.00 0.00 C ATOM 1874 C GLU A 826 -15.285 6.492 -4.419 1.00 0.00 C ATOM 1875 O GLU A 826 -16.493 6.449 -4.654 1.00 0.00 O ATOM 1876 CB GLU A 826 -13.863 7.975 -5.843 1.00 0.00 C ATOM 1877 CG GLU A 826 -13.733 6.686 -6.639 1.00 0.00 C ATOM 1878 CD GLU A 826 -14.998 6.327 -7.397 1.00 0.00 C ATOM 1879 OE1 GLU A 826 -15.342 7.053 -8.354 1.00 0.00 O ATOM 1880 OE2 GLU A 826 -15.640 5.317 -7.037 1.00 0.00 O ATOM 0 H GLU A 826 -12.560 7.967 -3.800 1.00 0.00 H new ATOM 0 HA GLU A 826 -15.225 8.614 -4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 826 -14.445 8.691 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 826 -12.871 8.407 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 826 -12.908 6.783 -7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 826 -13.478 5.871 -5.961 1.00 0.00 H new ATOM 1887 N ALA A 827 -14.563 5.429 -4.111 1.00 0.00 N ATOM 1888 CA ALA A 827 -15.155 4.110 -4.077 1.00 0.00 C ATOM 1889 C ALA A 827 -15.613 3.670 -2.687 1.00 0.00 C ATOM 1890 O ALA A 827 -15.756 2.477 -2.443 1.00 0.00 O ATOM 1891 CB ALA A 827 -14.168 3.123 -4.648 1.00 0.00 C ATOM 0 H ALA A 827 -13.569 5.456 -3.882 1.00 0.00 H new ATOM 0 HA ALA A 827 -16.063 4.146 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 827 -14.601 2.123 -4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 827 -13.933 3.397 -5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 827 -13.255 3.135 -4.052 1.00 0.00 H new ATOM 1897 N GLY A 828 -15.857 4.617 -1.785 1.00 0.00 N ATOM 1898 CA GLY A 828 -16.313 4.261 -0.445 1.00 0.00 C ATOM 1899 C GLY A 828 -15.308 3.419 0.316 1.00 0.00 C ATOM 1900 O GLY A 828 -15.638 2.787 1.318 1.00 0.00 O ATOM 0 H GLY A 828 -15.749 5.617 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 828 -16.517 5.172 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 828 -17.254 3.716 -0.520 1.00 0.00 H new ATOM 1904 N LEU A 829 -14.077 3.431 -0.154 1.00 0.00 N ATOM 1905 CA LEU A 829 -13.006 2.646 0.436 1.00 0.00 C ATOM 1906 C LEU A 829 -12.550 3.216 1.773 1.00 0.00 C ATOM 1907 O LEU A 829 -13.084 2.837 2.816 1.00 0.00 O ATOM 1908 CB LEU A 829 -11.877 2.591 -0.570 1.00 0.00 C ATOM 1909 CG LEU A 829 -12.283 1.979 -1.918 1.00 0.00 C ATOM 1910 CD1 LEU A 829 -11.134 1.325 -2.618 1.00 0.00 C ATOM 1911 CD2 LEU A 829 -13.388 0.959 -1.750 1.00 0.00 C ATOM 0 H LEU A 829 -13.788 3.987 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 829 -13.360 1.639 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -11.501 3.600 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -11.055 2.011 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 829 -12.636 2.811 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -11.475 0.908 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -10.354 2.063 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -10.734 0.526 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -13.652 0.545 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -13.047 0.157 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -14.262 1.439 -1.311 1.00 0.00 H new ATOM 1923 N ILE A 830 -11.549 4.106 1.739 1.00 0.00 N ATOM 1924 CA ILE A 830 -11.033 4.746 2.937 1.00 0.00 C ATOM 1925 C ILE A 830 -12.048 4.775 4.066 1.00 0.00 C ATOM 1926 O ILE A 830 -13.165 5.269 3.905 1.00 0.00 O ATOM 1927 CB ILE A 830 -10.588 6.172 2.638 1.00 0.00 C ATOM 1928 CG1 ILE A 830 -10.591 6.398 1.140 1.00 0.00 C ATOM 1929 CG2 ILE A 830 -9.199 6.401 3.184 1.00 0.00 C ATOM 1930 CD1 ILE A 830 -9.695 7.505 0.702 1.00 0.00 C ATOM 0 H ILE A 830 -11.082 4.396 0.880 1.00 0.00 H new ATOM 0 HA ILE A 830 -10.182 4.147 3.260 1.00 0.00 H new ATOM 0 HB ILE A 830 -11.277 6.871 3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 830 -10.288 5.477 0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 830 -11.609 6.616 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 830 -8.887 7.422 2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 830 -9.202 6.244 4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 830 -8.505 5.702 2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 830 -9.748 7.609 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 830 -10.011 8.436 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 830 -8.669 7.280 0.995 1.00 0.00 H new ATOM 1942 N ASP A 831 -11.647 4.245 5.208 1.00 0.00 N ATOM 1943 CA ASP A 831 -12.517 4.195 6.373 1.00 0.00 C ATOM 1944 C ASP A 831 -11.701 4.007 7.649 1.00 0.00 C ATOM 1945 O ASP A 831 -12.031 4.565 8.697 1.00 0.00 O ATOM 1946 CB ASP A 831 -13.528 3.056 6.228 1.00 0.00 C ATOM 1947 CG ASP A 831 -14.486 2.978 7.401 1.00 0.00 C ATOM 1948 OD1 ASP A 831 -14.122 2.360 8.424 1.00 0.00 O ATOM 1949 OD2 ASP A 831 -15.599 3.533 7.297 1.00 0.00 O ATOM 0 H ASP A 831 -10.722 3.842 5.355 1.00 0.00 H new ATOM 0 HA ASP A 831 -13.053 5.142 6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 831 -14.096 3.193 5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 831 -12.994 2.110 6.135 1.00 0.00 H new ATOM 1954 N LYS A 832 -10.637 3.213 7.547 1.00 0.00 N ATOM 1955 CA LYS A 832 -9.763 2.942 8.684 1.00 0.00 C ATOM 1956 C LYS A 832 -9.276 4.239 9.329 1.00 0.00 C ATOM 1957 O LYS A 832 -8.322 4.846 8.799 1.00 0.00 O ATOM 1958 CB LYS A 832 -8.571 2.089 8.237 1.00 0.00 C ATOM 1959 CG LYS A 832 -7.885 2.603 6.978 1.00 0.00 C ATOM 1960 CD LYS A 832 -6.774 1.670 6.520 1.00 0.00 C ATOM 1961 CE LYS A 832 -5.493 1.883 7.313 1.00 0.00 C ATOM 1962 NZ LYS A 832 -5.644 1.484 8.741 1.00 0.00 N ATOM 1963 OXT LYS A 832 -9.855 4.637 10.362 1.00 0.00 O ATOM 0 H LYS A 832 -10.359 2.745 6.684 1.00 0.00 H new ATOM 0 HA LYS A 832 -10.336 2.392 9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 832 -7.842 2.048 9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 832 -8.912 1.068 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 832 -8.621 2.711 6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 832 -7.473 3.594 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 832 -7.101 0.636 6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 832 -6.577 1.833 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 832 -4.687 1.307 6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 832 -5.204 2.933 7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 832 -4.750 1.078 9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 832 -5.887 2.319 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 832 -6.401 0.776 8.825 1.00 0.00 H new TER 1977 LYS A 832 ATOM 1978 N SER B 31 12.621 5.568 -20.064 1.00 0.00 N ATOM 1979 CA SER B 31 13.998 6.004 -19.717 1.00 0.00 C ATOM 1980 C SER B 31 14.357 5.588 -18.294 1.00 0.00 C ATOM 1981 O SER B 31 14.259 6.386 -17.361 1.00 0.00 O ATOM 1982 CB SER B 31 14.122 7.522 -19.863 1.00 0.00 C ATOM 1983 OG SER B 31 13.816 7.935 -21.184 1.00 0.00 O ATOM 0 HA SER B 31 14.692 5.520 -20.404 1.00 0.00 H new ATOM 0 HB2 SER B 31 13.450 8.014 -19.160 1.00 0.00 H new ATOM 0 HB3 SER B 31 15.135 7.833 -19.607 1.00 0.00 H new ATOM 0 HG SER B 31 13.122 7.352 -21.556 1.00 0.00 H new ATOM 1991 N THR B 32 14.771 4.333 -18.139 1.00 0.00 N ATOM 1992 CA THR B 32 15.148 3.799 -16.833 1.00 0.00 C ATOM 1993 C THR B 32 13.980 3.858 -15.853 1.00 0.00 C ATOM 1994 O THR B 32 13.721 4.893 -15.239 1.00 0.00 O ATOM 1995 CB THR B 32 16.348 4.559 -16.236 1.00 0.00 C ATOM 1996 OG1 THR B 32 17.449 4.537 -17.152 1.00 0.00 O ATOM 1997 CG2 THR B 32 16.776 3.942 -14.912 1.00 0.00 C ATOM 0 H THR B 32 14.854 3.665 -18.905 1.00 0.00 H new ATOM 0 HA THR B 32 15.432 2.758 -16.990 1.00 0.00 H new ATOM 0 HB THR B 32 16.042 5.590 -16.059 1.00 0.00 H new ATOM 0 HG1 THR B 32 18.206 5.024 -16.765 1.00 0.00 H new ATOM 0 HG21 THR B 32 17.625 4.496 -14.510 1.00 0.00 H new ATOM 0 HG22 THR B 32 15.947 3.985 -14.206 1.00 0.00 H new ATOM 0 HG23 THR B 32 17.063 2.903 -15.071 1.00 0.00 H new ATOM 2005 N GLY B 33 13.279 2.737 -15.710 1.00 0.00 N ATOM 2006 CA GLY B 33 12.147 2.676 -14.803 1.00 0.00 C ATOM 2007 C GLY B 33 11.813 1.257 -14.391 1.00 0.00 C ATOM 2008 O GLY B 33 10.844 0.673 -14.876 1.00 0.00 O ATOM 0 H GLY B 33 13.475 1.868 -16.207 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.365 3.268 -13.914 1.00 0.00 H new ATOM 0 HA3 GLY B 33 11.277 3.127 -15.281 1.00 0.00 H new ATOM 2012 N GLY B 34 12.620 0.702 -13.493 1.00 0.00 N ATOM 2013 CA GLY B 34 12.397 -0.654 -13.027 1.00 0.00 C ATOM 2014 C GLY B 34 13.618 -1.236 -12.346 1.00 0.00 C ATOM 2015 O GLY B 34 13.779 -2.455 -12.277 1.00 0.00 O ATOM 0 H GLY B 34 13.427 1.169 -13.079 1.00 0.00 H new ATOM 0 HA2 GLY B 34 11.557 -0.664 -12.332 1.00 0.00 H new ATOM 0 HA3 GLY B 34 12.119 -1.285 -13.871 1.00 0.00 H new ATOM 2019 N VAL B 35 14.484 -0.360 -11.844 1.00 0.00 N ATOM 2020 CA VAL B 35 15.698 -0.786 -11.163 1.00 0.00 C ATOM 2021 C VAL B 35 15.538 -0.697 -9.652 1.00 0.00 C ATOM 2022 O VAL B 35 16.460 -1.012 -8.901 1.00 0.00 O ATOM 2023 CB VAL B 35 16.908 0.072 -11.576 1.00 0.00 C ATOM 2024 CG1 VAL B 35 17.161 -0.047 -13.073 1.00 0.00 C ATOM 2025 CG2 VAL B 35 16.693 1.528 -11.177 1.00 0.00 C ATOM 0 H VAL B 35 14.365 0.652 -11.897 1.00 0.00 H new ATOM 0 HA VAL B 35 15.873 -1.821 -11.456 1.00 0.00 H new ATOM 0 HB VAL B 35 17.789 -0.298 -11.051 1.00 0.00 H new ATOM 0 HG11 VAL B 35 18.020 0.566 -13.347 1.00 0.00 H new ATOM 0 HG12 VAL B 35 17.363 -1.088 -13.326 1.00 0.00 H new ATOM 0 HG13 VAL B 35 16.282 0.296 -13.619 1.00 0.00 H new ATOM 0 HG21 VAL B 35 17.558 2.119 -11.477 1.00 0.00 H new ATOM 0 HG22 VAL B 35 15.801 1.913 -11.672 1.00 0.00 H new ATOM 0 HG23 VAL B 35 16.565 1.594 -10.097 1.00 0.00 H new HETATM 2035 OH ALY B 36 9.118 -0.354 -3.013 1.00 0.00 O HETATM 2036 CH ALY B 36 9.483 -0.367 -4.187 1.00 0.00 C HETATM 2037 CH3 ALY B 36 9.015 0.755 -5.117 1.00 0.00 C HETATM 2038 NZ ALY B 36 10.442 -1.180 -4.613 1.00 0.00 N HETATM 2039 CE ALY B 36 11.769 -1.248 -4.009 1.00 0.00 C HETATM 2040 CD ALY B 36 12.867 -0.881 -4.996 1.00 0.00 C HETATM 2041 CG ALY B 36 12.772 -1.684 -6.268 1.00 0.00 C HETATM 2042 CB ALY B 36 14.019 -1.487 -7.106 1.00 0.00 C HETATM 2043 CA ALY B 36 14.072 -0.115 -7.794 1.00 0.00 C HETATM 2044 N ALY B 36 14.360 -0.262 -9.215 1.00 0.00 N HETATM 2045 C ALY B 36 15.106 0.790 -7.129 1.00 0.00 C HETATM 2046 O ALY B 36 15.253 0.783 -5.906 1.00 0.00 O HETATM 0 HH33 ALY B 36 7.926 0.755 -5.168 1.00 0.00 H new HETATM 0 HH32 ALY B 36 9.361 1.714 -4.732 1.00 0.00 H new HETATM 0 HH31 ALY B 36 9.424 0.595 -6.114 1.00 0.00 H new HETATM 0 HZ ALY B 36 10.241 -1.790 -5.405 1.00 0.00 H new HETATM 0 HG3 ALY B 36 11.892 -1.379 -6.835 1.00 0.00 H new HETATM 0 HG2 ALY B 36 12.648 -2.741 -6.031 1.00 0.00 H new HETATM 0 HE3 ALY B 36 11.944 -2.255 -3.631 1.00 0.00 H new HETATM 0 HE2 ALY B 36 11.812 -0.575 -3.153 1.00 0.00 H new HETATM 0 HD3 ALY B 36 13.840 -1.047 -4.534 1.00 0.00 H new HETATM 0 HD2 ALY B 36 12.803 0.181 -5.232 1.00 0.00 H new HETATM 0 HCA ALY B 36 13.093 0.353 -7.687 1.00 0.00 H new HETATM 0 HB3 ALY B 36 14.068 -2.269 -7.864 1.00 0.00 H new HETATM 0 HB2 ALY B 36 14.898 -1.603 -6.472 1.00 0.00 H new ATOM 2061 N LYS B 37 15.803 1.573 -7.962 1.00 0.00 N ATOM 2062 CA LYS B 37 16.832 2.513 -7.508 1.00 0.00 C ATOM 2063 C LYS B 37 17.464 2.061 -6.193 1.00 0.00 C ATOM 2064 O LYS B 37 17.109 2.559 -5.126 1.00 0.00 O ATOM 2065 CB LYS B 37 16.230 3.917 -7.363 1.00 0.00 C ATOM 2066 CG LYS B 37 17.272 5.015 -7.218 1.00 0.00 C ATOM 2067 CD LYS B 37 16.673 6.389 -7.478 1.00 0.00 C ATOM 2068 CE LYS B 37 17.754 7.432 -7.710 1.00 0.00 C ATOM 2069 NZ LYS B 37 17.187 8.728 -8.173 1.00 0.00 N ATOM 0 H LYS B 37 15.668 1.571 -8.973 1.00 0.00 H new ATOM 0 HA LYS B 37 17.622 2.539 -8.258 1.00 0.00 H new ATOM 0 HB2 LYS B 37 15.610 4.129 -8.234 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.574 3.934 -6.493 1.00 0.00 H new ATOM 0 HG2 LYS B 37 17.696 4.986 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS B 37 18.091 4.836 -7.915 1.00 0.00 H new ATOM 0 HD2 LYS B 37 16.018 6.343 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS B 37 16.056 6.685 -6.629 1.00 0.00 H new ATOM 0 HE2 LYS B 37 18.311 7.589 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS B 37 18.463 7.061 -8.450 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 17.957 9.411 -8.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 16.677 8.584 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 16.530 9.095 -7.456 1.00 0.00 H new ATOM 2083 N PRO B 38 18.412 1.106 -6.252 1.00 0.00 N ATOM 2084 CA PRO B 38 19.079 0.576 -5.067 1.00 0.00 C ATOM 2085 C PRO B 38 19.508 1.649 -4.077 1.00 0.00 C ATOM 2086 O PRO B 38 20.563 2.265 -4.226 1.00 0.00 O ATOM 2087 CB PRO B 38 20.300 -0.127 -5.655 1.00 0.00 C ATOM 2088 CG PRO B 38 19.819 -0.623 -6.965 1.00 0.00 C ATOM 2089 CD PRO B 38 18.913 0.455 -7.480 1.00 0.00 C ATOM 0 HA PRO B 38 18.417 -0.068 -4.488 1.00 0.00 H new ATOM 0 HB2 PRO B 38 21.140 0.558 -5.770 1.00 0.00 H new ATOM 0 HB3 PRO B 38 20.639 -0.943 -5.017 1.00 0.00 H new ATOM 0 HG2 PRO B 38 20.649 -0.801 -7.649 1.00 0.00 H new ATOM 0 HG3 PRO B 38 19.287 -1.568 -6.858 1.00 0.00 H new ATOM 0 HD2 PRO B 38 19.449 1.159 -8.116 1.00 0.00 H new ATOM 0 HD3 PRO B 38 18.099 0.043 -8.076 1.00 0.00 H new ATOM 2097 N HIS B 39 18.677 1.864 -3.068 1.00 0.00 N ATOM 2098 CA HIS B 39 18.969 2.834 -2.029 1.00 0.00 C ATOM 2099 C HIS B 39 19.321 2.091 -0.739 1.00 0.00 C ATOM 2100 O HIS B 39 18.786 2.370 0.332 1.00 0.00 O ATOM 2101 CB HIS B 39 17.774 3.785 -1.834 1.00 0.00 C ATOM 2102 CG HIS B 39 17.973 4.796 -0.741 1.00 0.00 C ATOM 2103 ND1 HIS B 39 17.645 4.555 0.577 1.00 0.00 N ATOM 2104 CD2 HIS B 39 18.478 6.054 -0.773 1.00 0.00 C ATOM 2105 CE1 HIS B 39 17.942 5.616 1.306 1.00 0.00 C ATOM 2106 NE2 HIS B 39 18.450 6.537 0.512 1.00 0.00 N ATOM 0 H HIS B 39 17.790 1.375 -2.949 1.00 0.00 H new ATOM 0 HA HIS B 39 19.823 3.447 -2.319 1.00 0.00 H new ATOM 0 HB2 HIS B 39 17.583 4.309 -2.770 1.00 0.00 H new ATOM 0 HB3 HIS B 39 16.885 3.195 -1.612 1.00 0.00 H new ATOM 0 HD1 HIS B 39 17.236 3.691 0.934 1.00 0.00 H new ATOM 0 HD2 HIS B 39 18.836 6.579 -1.647 1.00 0.00 H new ATOM 0 HE1 HIS B 39 17.794 5.712 2.371 1.00 0.00 H new ATOM 2115 N ARG B 40 20.229 1.123 -0.867 1.00 0.00 N ATOM 2116 CA ARG B 40 20.667 0.309 0.265 1.00 0.00 C ATOM 2117 C ARG B 40 19.467 -0.268 1.010 1.00 0.00 C ATOM 2118 O ARG B 40 18.989 -1.355 0.684 1.00 0.00 O ATOM 2119 CB ARG B 40 21.547 1.126 1.214 1.00 0.00 C ATOM 2120 CG ARG B 40 22.862 1.564 0.590 1.00 0.00 C ATOM 2121 CD ARG B 40 23.776 2.222 1.611 1.00 0.00 C ATOM 2122 NE ARG B 40 24.204 1.286 2.648 1.00 0.00 N ATOM 2123 CZ ARG B 40 25.271 1.475 3.418 1.00 0.00 C ATOM 2124 NH1 ARG B 40 26.016 2.563 3.271 1.00 0.00 N ATOM 2125 NH2 ARG B 40 25.594 0.576 4.337 1.00 0.00 N ATOM 0 H ARG B 40 20.678 0.883 -1.751 1.00 0.00 H new ATOM 0 HA ARG B 40 21.261 -0.519 -0.123 1.00 0.00 H new ATOM 0 HB2 ARG B 40 20.996 2.008 1.540 1.00 0.00 H new ATOM 0 HB3 ARG B 40 21.755 0.534 2.105 1.00 0.00 H new ATOM 0 HG2 ARG B 40 23.364 0.700 0.155 1.00 0.00 H new ATOM 0 HG3 ARG B 40 22.664 2.261 -0.224 1.00 0.00 H new ATOM 0 HD2 ARG B 40 24.652 2.627 1.105 1.00 0.00 H new ATOM 0 HD3 ARG B 40 23.258 3.062 2.073 1.00 0.00 H new ATOM 0 HE ARG B 40 23.653 0.439 2.789 1.00 0.00 H new ATOM 0 HH11 ARG B 40 25.771 3.258 2.565 1.00 0.00 H new ATOM 0 HH12 ARG B 40 26.834 2.705 3.864 1.00 0.00 H new ATOM 0 HH21 ARG B 40 25.024 -0.262 4.454 1.00 0.00 H new ATOM 0 HH22 ARG B 40 26.413 0.722 4.927 1.00 0.00 H new ATOM 2139 N TYR B 41 18.981 0.467 2.007 1.00 0.00 N ATOM 2140 CA TYR B 41 17.825 0.037 2.783 1.00 0.00 C ATOM 2141 C TYR B 41 17.389 1.130 3.756 1.00 0.00 C ATOM 2142 O TYR B 41 18.204 1.676 4.500 1.00 0.00 O ATOM 2143 CB TYR B 41 18.123 -1.284 3.519 1.00 0.00 C ATOM 2144 CG TYR B 41 18.219 -1.171 5.028 1.00 0.00 C ATOM 2145 CD1 TYR B 41 17.075 -1.060 5.806 1.00 0.00 C ATOM 2146 CD2 TYR B 41 19.449 -1.191 5.671 1.00 0.00 C ATOM 2147 CE1 TYR B 41 17.149 -0.966 7.179 1.00 0.00 C ATOM 2148 CE2 TYR B 41 19.534 -1.097 7.049 1.00 0.00 C ATOM 2149 CZ TYR B 41 18.381 -0.986 7.798 1.00 0.00 C ATOM 2150 OH TYR B 41 18.462 -0.892 9.168 1.00 0.00 O ATOM 0 H TYR B 41 19.372 1.364 2.295 1.00 0.00 H new ATOM 0 HA TYR B 41 16.998 -0.144 2.096 1.00 0.00 H new ATOM 0 HB2 TYR B 41 17.342 -2.003 3.273 1.00 0.00 H new ATOM 0 HB3 TYR B 41 19.061 -1.690 3.140 1.00 0.00 H new ATOM 0 HD1 TYR B 41 16.108 -1.047 5.326 1.00 0.00 H new ATOM 0 HD2 TYR B 41 20.353 -1.281 5.087 1.00 0.00 H new ATOM 0 HE1 TYR B 41 16.247 -0.877 7.767 1.00 0.00 H new ATOM 0 HE2 TYR B 41 20.498 -1.110 7.536 1.00 0.00 H new ATOM 0 HH TYR B 41 19.402 -0.923 9.443 1.00 0.00 H new ATOM 2160 N LYS B 42 16.095 1.444 3.728 1.00 0.00 N ATOM 2161 CA LYS B 42 15.517 2.462 4.603 1.00 0.00 C ATOM 2162 C LYS B 42 16.340 3.751 4.589 1.00 0.00 C ATOM 2163 O LYS B 42 16.112 4.630 3.758 1.00 0.00 O ATOM 2164 CB LYS B 42 15.396 1.918 6.028 1.00 0.00 C ATOM 2165 CG LYS B 42 14.612 2.826 6.963 1.00 0.00 C ATOM 2166 CD LYS B 42 14.580 2.277 8.382 1.00 0.00 C ATOM 2167 CE LYS B 42 13.775 0.991 8.469 1.00 0.00 C ATOM 2168 NZ LYS B 42 12.341 1.208 8.133 1.00 0.00 N ATOM 0 H LYS B 42 15.421 1.003 3.102 1.00 0.00 H new ATOM 0 HA LYS B 42 14.523 2.705 4.227 1.00 0.00 H new ATOM 0 HB2 LYS B 42 14.914 0.941 5.995 1.00 0.00 H new ATOM 0 HB3 LYS B 42 16.395 1.766 6.436 1.00 0.00 H new ATOM 0 HG2 LYS B 42 15.061 3.819 6.967 1.00 0.00 H new ATOM 0 HG3 LYS B 42 13.593 2.938 6.593 1.00 0.00 H new ATOM 0 HD2 LYS B 42 15.598 2.093 8.724 1.00 0.00 H new ATOM 0 HD3 LYS B 42 14.149 3.022 9.051 1.00 0.00 H new ATOM 0 HE2 LYS B 42 14.199 0.251 7.790 1.00 0.00 H new ATOM 0 HE3 LYS B 42 13.854 0.581 9.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 11.784 0.387 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 11.997 2.063 8.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 12.239 1.327 7.105 1.00 0.00 H new ATOM 2182 N CYS B 43 17.295 3.858 5.510 1.00 0.00 N ATOM 2183 CA CYS B 43 18.145 5.042 5.596 1.00 0.00 C ATOM 2184 C CYS B 43 19.552 4.670 6.053 1.00 0.00 C ATOM 2185 O CYS B 43 20.417 4.443 5.181 1.00 0.00 O ATOM 2186 CB CYS B 43 17.536 6.064 6.557 1.00 0.00 C ATOM 2187 SG CYS B 43 18.490 7.593 6.711 1.00 0.00 S ATOM 2188 OXT CYS B 43 19.779 4.609 7.280 1.00 0.00 O ATOM 0 H CYS B 43 17.499 3.141 6.206 1.00 0.00 H new ATOM 0 HA CYS B 43 18.211 5.484 4.602 1.00 0.00 H new ATOM 0 HB2 CYS B 43 16.529 6.309 6.219 1.00 0.00 H new ATOM 0 HB3 CYS B 43 17.440 5.608 7.542 1.00 0.00 H new ATOM 0 HG CYS B 43 17.894 8.394 7.543 1.00 0.00 H new TER 2194 CYS B 43