USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 48 HIS HD1 : A 48 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 78 HIS HD1 : A 78 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0435 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 0.328 USER MOD Single : A 3 SER OG : rot 14:sc= 0.746 USER MOD Single : A 5 SER OG : rot 36:sc= 1.15 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0223 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0501 USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.6) USER MOD Single : A 16 HIS : no HD1:sc= -1.26 K(o=-1.3,f=0.16) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.063 K(o=-0.063,f=-1.2) USER MOD Single : A 25 MET CE :methyl 141:sc= -0.114 (180deg=-1.67!) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= -0.107 (180deg=-0.539) USER MOD Single : A 33 SER OG : rot 55:sc= 1.09 USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= 0.557 (180deg=0.243) USER MOD Single : A 58 ASN : amide:sc= -5.58! C(o=-5.6!,f=-5.2!) USER MOD Single : A 60 ASN : amide:sc= -0.609 K(o=-0.61,f=-1.4) USER MOD Single : A 62 LYS NZ :NH3+ -147:sc= -0.137 (180deg=-0.746) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -54:sc= 0.301 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.107 -32.795 17.456 1.00 0.00 N ATOM 2 CA GLY A 1 16.521 -32.610 16.141 1.00 0.00 C ATOM 3 C GLY A 1 15.666 -31.361 16.058 1.00 0.00 C ATOM 4 O GLY A 1 15.887 -30.400 16.795 1.00 0.00 O ATOM 0 H1 GLY A 1 18.124 -32.987 17.359 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.970 -31.933 18.021 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.647 -33.598 17.931 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.316 -32.553 15.397 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.913 -33.480 15.892 1.00 0.00 H new ATOM 8 N SER A 2 14.689 -31.373 15.157 1.00 0.00 N ATOM 9 CA SER A 2 13.802 -30.230 14.976 1.00 0.00 C ATOM 10 C SER A 2 12.343 -30.674 14.944 1.00 0.00 C ATOM 11 O SER A 2 11.971 -31.565 14.180 1.00 0.00 O ATOM 12 CB SER A 2 14.150 -29.487 13.685 1.00 0.00 C ATOM 13 OG SER A 2 13.810 -30.258 12.545 1.00 0.00 O ATOM 0 H SER A 2 14.492 -32.162 14.541 1.00 0.00 H new ATOM 0 HA SER A 2 13.940 -29.557 15.822 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.620 -28.535 13.655 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.216 -29.259 13.669 1.00 0.00 H new ATOM 0 HG SER A 2 13.168 -30.953 12.800 1.00 0.00 H new ATOM 19 N SER A 3 11.521 -30.046 15.778 1.00 0.00 N ATOM 20 CA SER A 3 10.103 -30.379 15.849 1.00 0.00 C ATOM 21 C SER A 3 9.299 -29.212 16.415 1.00 0.00 C ATOM 22 O SER A 3 9.862 -28.240 16.916 1.00 0.00 O ATOM 23 CB SER A 3 9.891 -31.624 16.711 1.00 0.00 C ATOM 24 OG SER A 3 10.317 -32.793 16.032 1.00 0.00 O ATOM 0 H SER A 3 11.812 -29.304 16.414 1.00 0.00 H new ATOM 0 HA SER A 3 9.753 -30.583 14.837 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.442 -31.521 17.646 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.836 -31.715 16.971 1.00 0.00 H new ATOM 0 HG SER A 3 10.856 -32.541 15.253 1.00 0.00 H new ATOM 30 N GLY A 4 7.976 -29.317 16.331 1.00 0.00 N ATOM 31 CA GLY A 4 7.114 -28.265 16.837 1.00 0.00 C ATOM 32 C GLY A 4 6.041 -28.792 17.768 1.00 0.00 C ATOM 33 O GLY A 4 5.988 -29.989 18.050 1.00 0.00 O ATOM 0 H GLY A 4 7.486 -30.112 15.921 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.718 -27.527 17.365 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.643 -27.751 15.999 1.00 0.00 H new ATOM 37 N SER A 5 5.183 -27.897 18.248 1.00 0.00 N ATOM 38 CA SER A 5 4.109 -28.278 19.158 1.00 0.00 C ATOM 39 C SER A 5 3.064 -27.171 19.259 1.00 0.00 C ATOM 40 O SER A 5 3.333 -26.017 18.925 1.00 0.00 O ATOM 41 CB SER A 5 4.673 -28.591 20.545 1.00 0.00 C ATOM 42 OG SER A 5 5.108 -29.937 20.627 1.00 0.00 O ATOM 0 H SER A 5 5.211 -26.903 18.022 1.00 0.00 H new ATOM 0 HA SER A 5 3.629 -29.172 18.759 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.506 -27.922 20.761 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.910 -28.405 21.301 1.00 0.00 H new ATOM 0 HG SER A 5 5.488 -30.211 19.766 1.00 0.00 H new ATOM 48 N SER A 6 1.872 -27.532 19.721 1.00 0.00 N ATOM 49 CA SER A 6 0.784 -26.571 19.863 1.00 0.00 C ATOM 50 C SER A 6 -0.110 -26.933 21.045 1.00 0.00 C ATOM 51 O SER A 6 -0.011 -28.026 21.601 1.00 0.00 O ATOM 52 CB SER A 6 -0.046 -26.516 18.579 1.00 0.00 C ATOM 53 OG SER A 6 0.775 -26.271 17.450 1.00 0.00 O ATOM 0 H SER A 6 1.634 -28.483 20.004 1.00 0.00 H new ATOM 0 HA SER A 6 1.221 -25.589 20.048 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.580 -27.457 18.447 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.798 -25.732 18.662 1.00 0.00 H new ATOM 0 HG SER A 6 0.221 -26.242 16.642 1.00 0.00 H new ATOM 59 N GLY A 7 -0.985 -26.006 21.423 1.00 0.00 N ATOM 60 CA GLY A 7 -1.884 -26.245 22.537 1.00 0.00 C ATOM 61 C GLY A 7 -2.258 -24.969 23.264 1.00 0.00 C ATOM 62 O GLY A 7 -1.387 -24.227 23.719 1.00 0.00 O ATOM 0 H GLY A 7 -1.087 -25.094 20.978 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.789 -26.730 22.172 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.414 -26.934 23.238 1.00 0.00 H new ATOM 66 N VAL A 8 -3.557 -24.711 23.373 1.00 0.00 N ATOM 67 CA VAL A 8 -4.045 -23.515 24.050 1.00 0.00 C ATOM 68 C VAL A 8 -5.333 -23.802 24.813 1.00 0.00 C ATOM 69 O VAL A 8 -6.107 -24.682 24.436 1.00 0.00 O ATOM 70 CB VAL A 8 -4.298 -22.369 23.052 1.00 0.00 C ATOM 71 CG1 VAL A 8 -3.001 -21.956 22.373 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.340 -22.780 22.022 1.00 0.00 C ATOM 0 H VAL A 8 -4.291 -25.314 23.001 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.269 -23.211 24.753 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.682 -21.510 23.602 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.200 -21.146 21.672 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.288 -21.619 23.125 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.585 -22.808 21.835 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.506 -21.959 21.325 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.986 -23.654 21.475 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.275 -23.022 22.527 1.00 0.00 H new ATOM 82 N ARG A 9 -5.557 -23.054 25.888 1.00 0.00 N ATOM 83 CA ARG A 9 -6.751 -23.228 26.706 1.00 0.00 C ATOM 84 C ARG A 9 -7.263 -21.884 27.214 1.00 0.00 C ATOM 85 O ARG A 9 -6.644 -21.257 28.073 1.00 0.00 O ATOM 86 CB ARG A 9 -6.455 -24.153 27.888 1.00 0.00 C ATOM 87 CG ARG A 9 -7.578 -24.214 28.910 1.00 0.00 C ATOM 88 CD ARG A 9 -8.811 -24.899 28.343 1.00 0.00 C ATOM 89 NE ARG A 9 -8.541 -26.282 27.959 1.00 0.00 N ATOM 90 CZ ARG A 9 -9.470 -27.232 27.931 1.00 0.00 C ATOM 91 NH1 ARG A 9 -10.722 -26.949 28.262 1.00 0.00 N ATOM 92 NH2 ARG A 9 -9.146 -28.467 27.570 1.00 0.00 N ATOM 0 H ARG A 9 -4.927 -22.321 26.213 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.524 -23.680 26.084 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.262 -25.158 27.512 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.543 -23.817 28.382 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.237 -24.751 29.795 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.836 -23.204 29.229 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.610 -24.878 29.084 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.167 -24.345 27.475 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.587 -26.532 27.698 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.974 -26.000 28.539 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.433 -27.680 28.240 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.184 -28.688 27.314 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.859 -29.196 27.549 1.00 0.00 H new ATOM 106 N ALA A 10 -8.397 -21.447 26.677 1.00 0.00 N ATOM 107 CA ALA A 10 -8.994 -20.179 27.077 1.00 0.00 C ATOM 108 C ALA A 10 -10.497 -20.174 26.822 1.00 0.00 C ATOM 109 O ALA A 10 -11.003 -20.862 25.936 1.00 0.00 O ATOM 110 CB ALA A 10 -8.327 -19.027 26.340 1.00 0.00 C ATOM 0 H ALA A 10 -8.921 -21.953 25.963 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.835 -20.052 28.148 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.782 -18.086 26.648 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.263 -19.010 26.577 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.457 -19.158 25.266 1.00 0.00 H new ATOM 116 N PRO A 11 -11.230 -19.380 27.617 1.00 0.00 N ATOM 117 CA PRO A 11 -12.687 -19.267 27.496 1.00 0.00 C ATOM 118 C PRO A 11 -13.108 -18.544 26.220 1.00 0.00 C ATOM 119 O PRO A 11 -12.270 -18.179 25.396 1.00 0.00 O ATOM 120 CB PRO A 11 -13.083 -18.450 28.728 1.00 0.00 C ATOM 121 CG PRO A 11 -11.864 -17.665 29.070 1.00 0.00 C ATOM 122 CD PRO A 11 -10.694 -18.531 28.694 1.00 0.00 C ATOM 0 HA PRO A 11 -13.169 -20.243 27.442 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.928 -17.796 28.514 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.382 -19.097 29.553 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.842 -16.721 28.525 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.843 -17.420 30.132 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.847 -17.936 28.353 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.346 -19.125 29.539 1.00 0.00 H new ATOM 130 N VAL A 12 -14.412 -18.341 26.065 1.00 0.00 N ATOM 131 CA VAL A 12 -14.945 -17.661 24.890 1.00 0.00 C ATOM 132 C VAL A 12 -16.325 -17.078 25.171 1.00 0.00 C ATOM 133 O VAL A 12 -17.111 -17.649 25.929 1.00 0.00 O ATOM 134 CB VAL A 12 -15.038 -18.613 23.684 1.00 0.00 C ATOM 135 CG1 VAL A 12 -16.062 -19.707 23.945 1.00 0.00 C ATOM 136 CG2 VAL A 12 -15.382 -17.840 22.420 1.00 0.00 C ATOM 0 H VAL A 12 -15.119 -18.637 26.738 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.254 -16.852 24.652 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.066 -19.085 23.540 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.114 -20.370 23.082 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.767 -20.279 24.825 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -17.040 -19.257 24.116 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.444 -18.529 21.578 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.341 -17.339 22.550 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.608 -17.098 22.226 1.00 0.00 H new ATOM 146 N THR A 13 -16.617 -15.936 24.556 1.00 0.00 N ATOM 147 CA THR A 13 -17.902 -15.275 24.740 1.00 0.00 C ATOM 148 C THR A 13 -18.944 -15.818 23.769 1.00 0.00 C ATOM 149 O THR A 13 -18.604 -16.380 22.728 1.00 0.00 O ATOM 150 CB THR A 13 -17.783 -13.751 24.547 1.00 0.00 C ATOM 151 OG1 THR A 13 -19.048 -13.126 24.793 1.00 0.00 O ATOM 152 CG2 THR A 13 -17.312 -13.419 23.139 1.00 0.00 C ATOM 0 H THR A 13 -15.980 -15.450 23.926 1.00 0.00 H new ATOM 0 HA THR A 13 -18.219 -15.481 25.762 1.00 0.00 H new ATOM 0 HB THR A 13 -17.048 -13.373 25.257 1.00 0.00 H new ATOM 0 HG1 THR A 13 -18.964 -12.157 24.670 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.236 -12.338 23.026 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.336 -13.872 22.966 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.027 -13.809 22.415 1.00 0.00 H new ATOM 160 N LYS A 14 -20.215 -15.647 24.116 1.00 0.00 N ATOM 161 CA LYS A 14 -21.309 -16.119 23.274 1.00 0.00 C ATOM 162 C LYS A 14 -21.158 -15.603 21.847 1.00 0.00 C ATOM 163 O LYS A 14 -21.333 -14.413 21.585 1.00 0.00 O ATOM 164 CB LYS A 14 -22.653 -15.671 23.851 1.00 0.00 C ATOM 165 CG LYS A 14 -23.223 -16.630 24.882 1.00 0.00 C ATOM 166 CD LYS A 14 -24.463 -16.059 25.549 1.00 0.00 C ATOM 167 CE LYS A 14 -25.734 -16.513 24.846 1.00 0.00 C ATOM 168 NZ LYS A 14 -26.038 -15.672 23.655 1.00 0.00 N ATOM 0 H LYS A 14 -20.514 -15.185 24.975 1.00 0.00 H new ATOM 0 HA LYS A 14 -21.275 -17.208 23.253 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -22.533 -14.689 24.308 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -23.369 -15.559 23.037 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -23.470 -17.577 24.402 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -22.468 -16.844 25.638 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -24.492 -16.371 26.593 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -24.412 -14.970 25.543 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -25.628 -17.553 24.539 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -26.570 -16.471 25.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -27.053 -15.733 23.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -25.786 -14.683 23.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.488 -16.012 22.840 1.00 0.00 H new ATOM 182 N VAL A 15 -20.833 -16.505 20.927 1.00 0.00 N ATOM 183 CA VAL A 15 -20.662 -16.141 19.526 1.00 0.00 C ATOM 184 C VAL A 15 -22.010 -15.989 18.829 1.00 0.00 C ATOM 185 O VAL A 15 -22.973 -16.681 19.159 1.00 0.00 O ATOM 186 CB VAL A 15 -19.822 -17.190 18.772 1.00 0.00 C ATOM 187 CG1 VAL A 15 -19.696 -16.817 17.303 1.00 0.00 C ATOM 188 CG2 VAL A 15 -18.451 -17.335 19.414 1.00 0.00 C ATOM 0 H VAL A 15 -20.683 -17.494 21.127 1.00 0.00 H new ATOM 0 HA VAL A 15 -20.138 -15.186 19.509 1.00 0.00 H new ATOM 0 HB VAL A 15 -20.331 -18.152 18.835 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -19.100 -17.569 16.787 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -20.688 -16.769 16.853 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -19.210 -15.845 17.215 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.871 -18.080 18.869 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.932 -16.377 19.383 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -18.566 -17.652 20.450 1.00 0.00 H new ATOM 198 N HIS A 16 -22.070 -15.079 17.861 1.00 0.00 N ATOM 199 CA HIS A 16 -23.300 -14.836 17.116 1.00 0.00 C ATOM 200 C HIS A 16 -23.617 -16.009 16.194 1.00 0.00 C ATOM 201 O HIS A 16 -22.842 -16.960 16.094 1.00 0.00 O ATOM 202 CB HIS A 16 -23.181 -13.549 16.300 1.00 0.00 C ATOM 203 CG HIS A 16 -22.006 -13.535 15.371 1.00 0.00 C ATOM 204 ND1 HIS A 16 -22.129 -13.618 14.000 1.00 0.00 N ATOM 205 CD2 HIS A 16 -20.679 -13.445 15.623 1.00 0.00 C ATOM 206 CE1 HIS A 16 -20.929 -13.582 13.450 1.00 0.00 C ATOM 207 NE2 HIS A 16 -20.031 -13.477 14.413 1.00 0.00 N ATOM 0 H HIS A 16 -21.282 -14.498 17.575 1.00 0.00 H new ATOM 0 HA HIS A 16 -24.115 -14.729 17.832 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -24.094 -13.410 15.720 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -23.105 -12.702 16.982 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -20.216 -13.363 16.595 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -20.718 -13.630 12.392 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -19.021 -13.428 14.279 1.00 0.00 H new ATOM 216 N GLY A 17 -24.762 -15.936 15.522 1.00 0.00 N ATOM 217 CA GLY A 17 -25.161 -16.998 14.618 1.00 0.00 C ATOM 218 C GLY A 17 -23.985 -17.601 13.876 1.00 0.00 C ATOM 219 O GLY A 17 -22.957 -16.949 13.694 1.00 0.00 O ATOM 0 H GLY A 17 -25.420 -15.160 15.588 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.670 -17.779 15.183 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -25.879 -16.607 13.897 1.00 0.00 H new ATOM 223 N GLY A 18 -24.135 -18.850 13.446 1.00 0.00 N ATOM 224 CA GLY A 18 -23.068 -19.520 12.726 1.00 0.00 C ATOM 225 C GLY A 18 -22.875 -18.966 11.328 1.00 0.00 C ATOM 226 O GLY A 18 -22.242 -17.927 11.147 1.00 0.00 O ATOM 0 H GLY A 18 -24.976 -19.410 13.583 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -22.138 -19.419 13.285 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -23.289 -20.586 12.664 1.00 0.00 H new ATOM 230 N ALA A 19 -23.422 -19.662 10.336 1.00 0.00 N ATOM 231 CA ALA A 19 -23.307 -19.234 8.948 1.00 0.00 C ATOM 232 C ALA A 19 -24.615 -19.452 8.196 1.00 0.00 C ATOM 233 O ALA A 19 -25.288 -20.465 8.382 1.00 0.00 O ATOM 234 CB ALA A 19 -22.170 -19.975 8.259 1.00 0.00 C ATOM 0 H ALA A 19 -23.949 -20.525 10.469 1.00 0.00 H new ATOM 0 HA ALA A 19 -23.087 -18.166 8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -22.096 -19.645 7.223 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -21.233 -19.764 8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -22.366 -21.047 8.285 1.00 0.00 H new ATOM 240 N GLY A 20 -24.971 -18.494 7.345 1.00 0.00 N ATOM 241 CA GLY A 20 -26.198 -18.600 6.579 1.00 0.00 C ATOM 242 C GLY A 20 -26.420 -17.407 5.671 1.00 0.00 C ATOM 243 O GLY A 20 -26.611 -16.286 6.143 1.00 0.00 O ATOM 0 H GLY A 20 -24.431 -17.646 7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -26.170 -19.509 5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -27.042 -18.695 7.262 1.00 0.00 H new ATOM 247 N SER A 21 -26.394 -17.647 4.364 1.00 0.00 N ATOM 248 CA SER A 21 -26.589 -16.582 3.387 1.00 0.00 C ATOM 249 C SER A 21 -25.572 -15.463 3.594 1.00 0.00 C ATOM 250 O SER A 21 -25.913 -14.282 3.536 1.00 0.00 O ATOM 251 CB SER A 21 -28.008 -16.021 3.488 1.00 0.00 C ATOM 252 OG SER A 21 -28.973 -17.056 3.401 1.00 0.00 O ATOM 0 H SER A 21 -26.240 -18.570 3.957 1.00 0.00 H new ATOM 0 HA SER A 21 -26.443 -17.004 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 21 -28.126 -15.488 4.432 1.00 0.00 H new ATOM 0 HB3 SER A 21 -28.174 -15.297 2.690 1.00 0.00 H new ATOM 0 HG SER A 21 -29.872 -16.672 3.470 1.00 0.00 H new ATOM 258 N ALA A 22 -24.322 -15.845 3.835 1.00 0.00 N ATOM 259 CA ALA A 22 -23.255 -14.875 4.049 1.00 0.00 C ATOM 260 C ALA A 22 -23.067 -13.987 2.823 1.00 0.00 C ATOM 261 O ALA A 22 -23.530 -14.315 1.731 1.00 0.00 O ATOM 262 CB ALA A 22 -21.955 -15.588 4.390 1.00 0.00 C ATOM 0 H ALA A 22 -24.024 -16.819 3.887 1.00 0.00 H new ATOM 0 HA ALA A 22 -23.539 -14.238 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -21.167 -14.852 4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -22.090 -16.175 5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -21.676 -16.248 3.569 1.00 0.00 H new ATOM 268 N GLN A 23 -22.386 -12.861 3.013 1.00 0.00 N ATOM 269 CA GLN A 23 -22.139 -11.926 1.923 1.00 0.00 C ATOM 270 C GLN A 23 -21.070 -12.462 0.977 1.00 0.00 C ATOM 271 O GLN A 23 -21.153 -12.279 -0.238 1.00 0.00 O ATOM 272 CB GLN A 23 -21.711 -10.565 2.477 1.00 0.00 C ATOM 273 CG GLN A 23 -22.873 -9.711 2.957 1.00 0.00 C ATOM 274 CD GLN A 23 -22.418 -8.478 3.712 1.00 0.00 C ATOM 275 OE1 GLN A 23 -21.347 -8.468 4.320 1.00 0.00 O ATOM 276 NE2 GLN A 23 -23.230 -7.428 3.676 1.00 0.00 N ATOM 0 H GLN A 23 -21.996 -12.575 3.911 1.00 0.00 H new ATOM 0 HA GLN A 23 -23.067 -11.807 1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -21.019 -10.720 3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.167 -10.022 1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -23.474 -9.406 2.100 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -23.517 -10.310 3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -24.108 -7.480 3.160 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -22.975 -6.569 4.164 1.00 0.00 H new ATOM 285 N ARG A 24 -20.065 -13.125 1.542 1.00 0.00 N ATOM 286 CA ARG A 24 -18.979 -13.686 0.749 1.00 0.00 C ATOM 287 C ARG A 24 -18.212 -12.586 0.020 1.00 0.00 C ATOM 288 O ARG A 24 -17.907 -12.710 -1.166 1.00 0.00 O ATOM 289 CB ARG A 24 -19.525 -14.696 -0.262 1.00 0.00 C ATOM 290 CG ARG A 24 -20.075 -15.961 0.378 1.00 0.00 C ATOM 291 CD ARG A 24 -18.967 -16.957 0.682 1.00 0.00 C ATOM 292 NE ARG A 24 -19.487 -18.195 1.257 1.00 0.00 N ATOM 293 CZ ARG A 24 -18.822 -18.932 2.141 1.00 0.00 C ATOM 294 NH1 ARG A 24 -17.618 -18.556 2.548 1.00 0.00 N ATOM 295 NH2 ARG A 24 -19.362 -20.045 2.618 1.00 0.00 N ATOM 0 H ARG A 24 -19.981 -13.286 2.546 1.00 0.00 H new ATOM 0 HA ARG A 24 -18.294 -14.195 1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.314 -14.222 -0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.731 -14.967 -0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -20.600 -15.706 1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -20.806 -16.420 -0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -18.422 -17.184 -0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -18.255 -16.507 1.374 1.00 0.00 H new ATOM 0 HE ARG A 24 -20.411 -18.511 0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -17.200 -17.700 2.183 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -17.109 -19.123 3.226 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -20.289 -20.336 2.307 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -18.851 -20.610 3.296 1.00 0.00 H new ATOM 309 N MET A 25 -17.906 -11.511 0.738 1.00 0.00 N ATOM 310 CA MET A 25 -17.175 -10.389 0.160 1.00 0.00 C ATOM 311 C MET A 25 -15.805 -10.238 0.814 1.00 0.00 C ATOM 312 O MET A 25 -15.592 -10.628 1.962 1.00 0.00 O ATOM 313 CB MET A 25 -17.974 -9.095 0.320 1.00 0.00 C ATOM 314 CG MET A 25 -17.830 -8.456 1.692 1.00 0.00 C ATOM 315 SD MET A 25 -18.666 -9.394 2.985 1.00 0.00 S ATOM 316 CE MET A 25 -17.369 -9.503 4.216 1.00 0.00 C ATOM 0 H MET A 25 -18.153 -11.393 1.721 1.00 0.00 H new ATOM 0 HA MET A 25 -17.031 -10.590 -0.902 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.651 -8.382 -0.439 1.00 0.00 H new ATOM 0 HB3 MET A 25 -19.028 -9.303 0.134 1.00 0.00 H new ATOM 0 HG2 MET A 25 -16.772 -8.368 1.938 1.00 0.00 H new ATOM 0 HG3 MET A 25 -18.235 -7.445 1.662 1.00 0.00 H new ATOM 0 HE1 MET A 25 -17.800 -9.387 5.210 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.879 -10.474 4.144 1.00 0.00 H new ATOM 0 HE3 MET A 25 -16.637 -8.714 4.044 1.00 0.00 H new ATOM 326 N PRO A 26 -14.852 -9.659 0.068 1.00 0.00 N ATOM 327 CA PRO A 26 -13.487 -9.443 0.555 1.00 0.00 C ATOM 328 C PRO A 26 -13.421 -8.376 1.643 1.00 0.00 C ATOM 329 O PRO A 26 -14.189 -7.413 1.629 1.00 0.00 O ATOM 330 CB PRO A 26 -12.733 -8.981 -0.694 1.00 0.00 C ATOM 331 CG PRO A 26 -13.780 -8.383 -1.569 1.00 0.00 C ATOM 332 CD PRO A 26 -15.035 -9.170 -1.309 1.00 0.00 C ATOM 0 HA PRO A 26 -13.071 -10.341 1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.962 -8.252 -0.444 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.234 -9.816 -1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.926 -7.328 -1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.492 -8.443 -2.619 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.925 -8.548 -1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.147 -9.992 -2.016 1.00 0.00 H new ATOM 340 N LEU A 27 -12.500 -8.552 2.583 1.00 0.00 N ATOM 341 CA LEU A 27 -12.333 -7.603 3.678 1.00 0.00 C ATOM 342 C LEU A 27 -11.153 -6.673 3.418 1.00 0.00 C ATOM 343 O LEU A 27 -10.010 -7.118 3.311 1.00 0.00 O ATOM 344 CB LEU A 27 -12.128 -8.349 4.998 1.00 0.00 C ATOM 345 CG LEU A 27 -12.744 -7.699 6.238 1.00 0.00 C ATOM 346 CD1 LEU A 27 -12.226 -6.280 6.410 1.00 0.00 C ATOM 347 CD2 LEU A 27 -14.263 -7.708 6.146 1.00 0.00 C ATOM 0 H LEU A 27 -11.857 -9.343 2.609 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.239 -7.000 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.542 -9.352 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.057 -8.463 5.166 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.450 -8.279 7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.675 -5.834 7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.142 -6.300 6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.489 -5.688 5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.684 -7.242 7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.577 -7.152 5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.617 -8.736 6.073 1.00 0.00 H new ATOM 359 N CYS A 28 -11.437 -5.378 3.319 1.00 0.00 N ATOM 360 CA CYS A 28 -10.400 -4.384 3.074 1.00 0.00 C ATOM 361 C CYS A 28 -9.260 -4.527 4.079 1.00 0.00 C ATOM 362 O CYS A 28 -9.480 -4.497 5.290 1.00 0.00 O ATOM 363 CB CYS A 28 -10.988 -2.974 3.150 1.00 0.00 C ATOM 364 SG CYS A 28 -9.837 -1.659 2.633 1.00 0.00 S ATOM 0 H CYS A 28 -12.378 -4.993 3.405 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.001 -4.551 2.073 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.879 -2.929 2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.308 -2.780 4.174 1.00 0.00 H new ATOM 369 N ASP A 29 -8.044 -4.682 3.568 1.00 0.00 N ATOM 370 CA ASP A 29 -6.870 -4.827 4.420 1.00 0.00 C ATOM 371 C ASP A 29 -6.382 -3.468 4.911 1.00 0.00 C ATOM 372 O ASP A 29 -5.379 -3.374 5.619 1.00 0.00 O ATOM 373 CB ASP A 29 -5.749 -5.542 3.662 1.00 0.00 C ATOM 374 CG ASP A 29 -4.767 -6.227 4.592 1.00 0.00 C ATOM 375 OD1 ASP A 29 -5.180 -7.166 5.303 1.00 0.00 O ATOM 376 OD2 ASP A 29 -3.585 -5.822 4.609 1.00 0.00 O ATOM 0 H ASP A 29 -7.845 -4.710 2.568 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.152 -5.425 5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.183 -6.281 2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.216 -4.821 3.042 1.00 0.00 H new ATOM 381 N LYS A 30 -7.098 -2.415 4.529 1.00 0.00 N ATOM 382 CA LYS A 30 -6.739 -1.060 4.929 1.00 0.00 C ATOM 383 C LYS A 30 -7.565 -0.612 6.131 1.00 0.00 C ATOM 384 O LYS A 30 -7.017 -0.235 7.168 1.00 0.00 O ATOM 385 CB LYS A 30 -6.947 -0.090 3.764 1.00 0.00 C ATOM 386 CG LYS A 30 -6.553 1.341 4.086 1.00 0.00 C ATOM 387 CD LYS A 30 -5.118 1.630 3.677 1.00 0.00 C ATOM 388 CE LYS A 30 -4.606 2.915 4.310 1.00 0.00 C ATOM 389 NZ LYS A 30 -4.570 2.825 5.796 1.00 0.00 N ATOM 0 H LYS A 30 -7.931 -2.475 3.943 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.686 -1.058 5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.367 -0.434 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.996 -0.111 3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.224 2.029 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.671 1.520 5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.479 0.798 3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.057 1.708 2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.606 3.131 3.935 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.245 3.746 4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.897 3.524 6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.518 3.017 6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.270 1.870 6.079 1.00 0.00 H new ATOM 403 N CYS A 31 -8.885 -0.656 5.986 1.00 0.00 N ATOM 404 CA CYS A 31 -9.786 -0.256 7.060 1.00 0.00 C ATOM 405 C CYS A 31 -10.586 -1.450 7.572 1.00 0.00 C ATOM 406 O CYS A 31 -11.596 -1.287 8.255 1.00 0.00 O ATOM 407 CB CYS A 31 -10.738 0.839 6.573 1.00 0.00 C ATOM 408 SG CYS A 31 -11.872 0.305 5.252 1.00 0.00 S ATOM 0 H CYS A 31 -9.355 -0.965 5.135 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.183 0.134 7.880 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.325 1.197 7.418 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -10.150 1.683 6.213 1.00 0.00 H new ATOM 413 N GLY A 32 -10.127 -2.652 7.235 1.00 0.00 N ATOM 414 CA GLY A 32 -10.811 -3.856 7.669 1.00 0.00 C ATOM 415 C GLY A 32 -12.317 -3.687 7.700 1.00 0.00 C ATOM 416 O GLY A 32 -12.968 -4.036 8.685 1.00 0.00 O ATOM 0 H GLY A 32 -9.294 -2.813 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.554 -4.677 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.459 -4.132 8.663 1.00 0.00 H new ATOM 420 N SER A 33 -12.873 -3.150 6.619 1.00 0.00 N ATOM 421 CA SER A 33 -14.312 -2.931 6.528 1.00 0.00 C ATOM 422 C SER A 33 -14.898 -3.661 5.323 1.00 0.00 C ATOM 423 O SER A 33 -14.447 -3.477 4.193 1.00 0.00 O ATOM 424 CB SER A 33 -14.616 -1.435 6.429 1.00 0.00 C ATOM 425 OG SER A 33 -14.280 -0.766 7.632 1.00 0.00 O ATOM 0 H SER A 33 -12.349 -2.858 5.794 1.00 0.00 H new ATOM 0 HA SER A 33 -14.773 -3.330 7.432 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.057 -1.001 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.674 -1.289 6.211 1.00 0.00 H new ATOM 0 HG SER A 33 -13.343 -0.946 7.856 1.00 0.00 H new ATOM 431 N GLY A 34 -15.906 -4.491 5.574 1.00 0.00 N ATOM 432 CA GLY A 34 -16.537 -5.236 4.501 1.00 0.00 C ATOM 433 C GLY A 34 -16.578 -4.459 3.200 1.00 0.00 C ATOM 434 O GLY A 34 -16.823 -3.253 3.198 1.00 0.00 O ATOM 0 H GLY A 34 -16.296 -4.660 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.997 -6.170 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.553 -5.500 4.795 1.00 0.00 H new ATOM 438 N ILE A 35 -16.335 -5.151 2.092 1.00 0.00 N ATOM 439 CA ILE A 35 -16.345 -4.517 0.779 1.00 0.00 C ATOM 440 C ILE A 35 -17.522 -5.005 -0.058 1.00 0.00 C ATOM 441 O ILE A 35 -17.712 -6.207 -0.242 1.00 0.00 O ATOM 442 CB ILE A 35 -15.037 -4.790 0.013 1.00 0.00 C ATOM 443 CG1 ILE A 35 -13.832 -4.328 0.836 1.00 0.00 C ATOM 444 CG2 ILE A 35 -15.060 -4.094 -1.339 1.00 0.00 C ATOM 445 CD1 ILE A 35 -12.525 -4.948 0.395 1.00 0.00 C ATOM 0 H ILE A 35 -16.129 -6.150 2.077 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.442 -3.444 0.947 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.949 -5.863 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.751 -3.243 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.004 -4.570 1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.129 -4.296 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -15.899 -4.467 -1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.168 -3.019 -1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.715 -4.575 1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.587 -6.032 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.330 -4.684 -0.644 1.00 0.00 H new ATOM 457 N VAL A 36 -18.310 -4.063 -0.566 1.00 0.00 N ATOM 458 CA VAL A 36 -19.468 -4.395 -1.387 1.00 0.00 C ATOM 459 C VAL A 36 -19.853 -3.231 -2.293 1.00 0.00 C ATOM 460 O VAL A 36 -20.181 -2.144 -1.818 1.00 0.00 O ATOM 461 CB VAL A 36 -20.681 -4.778 -0.518 1.00 0.00 C ATOM 462 CG1 VAL A 36 -20.848 -3.794 0.629 1.00 0.00 C ATOM 463 CG2 VAL A 36 -21.944 -4.842 -1.365 1.00 0.00 C ATOM 0 H VAL A 36 -18.167 -3.063 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.185 -5.250 -2.001 1.00 0.00 H new ATOM 0 HB VAL A 36 -20.505 -5.767 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -21.710 -4.081 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.952 -3.803 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -21.002 -2.792 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -22.791 -5.114 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -22.127 -3.868 -1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -21.819 -5.590 -2.148 1.00 0.00 H new ATOM 473 N GLY A 37 -19.810 -3.466 -3.601 1.00 0.00 N ATOM 474 CA GLY A 37 -20.157 -2.427 -4.553 1.00 0.00 C ATOM 475 C GLY A 37 -18.986 -2.027 -5.427 1.00 0.00 C ATOM 476 O GLY A 37 -19.107 -1.967 -6.650 1.00 0.00 O ATOM 0 H GLY A 37 -19.541 -4.357 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.975 -2.775 -5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.520 -1.552 -4.014 1.00 0.00 H new ATOM 480 N ALA A 38 -17.847 -1.751 -4.799 1.00 0.00 N ATOM 481 CA ALA A 38 -16.649 -1.355 -5.528 1.00 0.00 C ATOM 482 C ALA A 38 -15.388 -1.725 -4.754 1.00 0.00 C ATOM 483 O ALA A 38 -15.216 -1.328 -3.602 1.00 0.00 O ATOM 484 CB ALA A 38 -16.675 0.139 -5.815 1.00 0.00 C ATOM 0 H ALA A 38 -17.729 -1.795 -3.787 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.635 -1.895 -6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.774 0.421 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.552 0.379 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.717 0.689 -4.875 1.00 0.00 H new ATOM 490 N VAL A 39 -14.509 -2.489 -5.395 1.00 0.00 N ATOM 491 CA VAL A 39 -13.263 -2.913 -4.766 1.00 0.00 C ATOM 492 C VAL A 39 -12.100 -2.841 -5.749 1.00 0.00 C ATOM 493 O VAL A 39 -12.301 -2.714 -6.957 1.00 0.00 O ATOM 494 CB VAL A 39 -13.371 -4.348 -4.218 1.00 0.00 C ATOM 495 CG1 VAL A 39 -12.956 -5.357 -5.279 1.00 0.00 C ATOM 496 CG2 VAL A 39 -12.525 -4.504 -2.963 1.00 0.00 C ATOM 0 H VAL A 39 -14.636 -2.827 -6.349 1.00 0.00 H new ATOM 0 HA VAL A 39 -13.077 -2.230 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.411 -4.540 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.039 -6.366 -4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.607 -5.260 -6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.924 -5.169 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.613 -5.524 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.482 -4.293 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.873 -3.807 -2.201 1.00 0.00 H new ATOM 506 N VAL A 40 -10.882 -2.924 -5.223 1.00 0.00 N ATOM 507 CA VAL A 40 -9.685 -2.870 -6.054 1.00 0.00 C ATOM 508 C VAL A 40 -8.667 -3.919 -5.619 1.00 0.00 C ATOM 509 O VAL A 40 -7.959 -3.740 -4.628 1.00 0.00 O ATOM 510 CB VAL A 40 -9.027 -1.479 -6.000 1.00 0.00 C ATOM 511 CG1 VAL A 40 -7.722 -1.475 -6.781 1.00 0.00 C ATOM 512 CG2 VAL A 40 -9.979 -0.419 -6.533 1.00 0.00 C ATOM 0 H VAL A 40 -10.698 -3.029 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.000 -3.075 -7.077 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.801 -1.243 -4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.271 -0.484 -6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.038 -2.206 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.920 -1.732 -7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.498 0.558 -6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.237 -0.649 -7.567 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.885 -0.406 -5.927 1.00 0.00 H new ATOM 522 N LYS A 41 -8.599 -5.015 -6.368 1.00 0.00 N ATOM 523 CA LYS A 41 -7.666 -6.093 -6.063 1.00 0.00 C ATOM 524 C LYS A 41 -6.522 -6.125 -7.071 1.00 0.00 C ATOM 525 O LYS A 41 -6.745 -6.278 -8.272 1.00 0.00 O ATOM 526 CB LYS A 41 -8.395 -7.439 -6.060 1.00 0.00 C ATOM 527 CG LYS A 41 -7.535 -8.597 -6.536 1.00 0.00 C ATOM 528 CD LYS A 41 -8.382 -9.724 -7.103 1.00 0.00 C ATOM 529 CE LYS A 41 -7.639 -11.051 -7.071 1.00 0.00 C ATOM 530 NZ LYS A 41 -8.318 -12.088 -7.895 1.00 0.00 N ATOM 0 H LYS A 41 -9.179 -5.180 -7.191 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.249 -5.910 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.747 -7.650 -5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.277 -7.367 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.839 -8.245 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.937 -8.972 -5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.306 -9.809 -6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.663 -9.488 -8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.622 -10.906 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.562 -11.399 -6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.780 -12.977 -7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.280 -12.245 -7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.369 -11.768 -8.883 1.00 0.00 H new ATOM 544 N ALA A 42 -5.298 -5.980 -6.575 1.00 0.00 N ATOM 545 CA ALA A 42 -4.119 -5.996 -7.432 1.00 0.00 C ATOM 546 C ALA A 42 -3.743 -7.421 -7.822 1.00 0.00 C ATOM 547 O ALA A 42 -4.047 -7.874 -8.926 1.00 0.00 O ATOM 548 CB ALA A 42 -2.952 -5.311 -6.737 1.00 0.00 C ATOM 0 H ALA A 42 -5.097 -5.850 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.356 -5.449 -8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.078 -5.330 -7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.217 -4.277 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.724 -5.834 -5.808 1.00 0.00 H new ATOM 554 N ARG A 43 -3.079 -8.123 -6.909 1.00 0.00 N ATOM 555 CA ARG A 43 -2.659 -9.497 -7.159 1.00 0.00 C ATOM 556 C ARG A 43 -3.644 -10.487 -6.543 1.00 0.00 C ATOM 557 O ARG A 43 -4.516 -11.019 -7.230 1.00 0.00 O ATOM 558 CB ARG A 43 -1.259 -9.736 -6.593 1.00 0.00 C ATOM 559 CG ARG A 43 -0.144 -9.217 -7.486 1.00 0.00 C ATOM 560 CD ARG A 43 1.173 -9.118 -6.733 1.00 0.00 C ATOM 561 NE ARG A 43 2.307 -8.935 -7.635 1.00 0.00 N ATOM 562 CZ ARG A 43 2.841 -9.917 -8.353 1.00 0.00 C ATOM 563 NH1 ARG A 43 2.345 -11.144 -8.275 1.00 0.00 N ATOM 564 NH2 ARG A 43 3.872 -9.672 -9.151 1.00 0.00 N ATOM 0 H ARG A 43 -2.821 -7.763 -5.990 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.639 -9.654 -8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.184 -9.256 -5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.118 -10.805 -6.434 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.025 -9.879 -8.343 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.416 -8.236 -7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.128 -8.284 -6.033 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.322 -10.022 -6.142 1.00 0.00 H new ATOM 0 HE ARG A 43 2.711 -8.002 -7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.552 -11.336 -7.663 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.756 -11.896 -8.827 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.256 -8.729 -9.214 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.281 -10.427 -9.702 1.00 0.00 H new ATOM 578 N ASP A 44 -3.498 -10.729 -5.245 1.00 0.00 N ATOM 579 CA ASP A 44 -4.374 -11.654 -4.537 1.00 0.00 C ATOM 580 C ASP A 44 -5.152 -10.934 -3.440 1.00 0.00 C ATOM 581 O ASP A 44 -6.183 -11.419 -2.973 1.00 0.00 O ATOM 582 CB ASP A 44 -3.561 -12.800 -3.933 1.00 0.00 C ATOM 583 CG ASP A 44 -2.818 -12.385 -2.678 1.00 0.00 C ATOM 584 OD1 ASP A 44 -1.800 -11.672 -2.799 1.00 0.00 O ATOM 585 OD2 ASP A 44 -3.257 -12.772 -1.575 1.00 0.00 O ATOM 0 H ASP A 44 -2.781 -10.297 -4.662 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.085 -12.062 -5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.227 -13.630 -3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.846 -13.163 -4.672 1.00 0.00 H new ATOM 590 N LYS A 45 -4.651 -9.773 -3.032 1.00 0.00 N ATOM 591 CA LYS A 45 -5.298 -8.984 -1.990 1.00 0.00 C ATOM 592 C LYS A 45 -6.321 -8.024 -2.590 1.00 0.00 C ATOM 593 O LYS A 45 -6.338 -7.797 -3.800 1.00 0.00 O ATOM 594 CB LYS A 45 -4.254 -8.200 -1.192 1.00 0.00 C ATOM 595 CG LYS A 45 -3.678 -8.973 -0.019 1.00 0.00 C ATOM 596 CD LYS A 45 -3.240 -8.044 1.100 1.00 0.00 C ATOM 597 CE LYS A 45 -2.009 -7.241 0.708 1.00 0.00 C ATOM 598 NZ LYS A 45 -0.755 -8.022 0.894 1.00 0.00 N ATOM 0 H LYS A 45 -3.798 -9.357 -3.407 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.818 -9.670 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.442 -7.910 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.707 -7.280 -0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.424 -9.672 0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.827 -9.565 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.055 -7.364 1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.025 -8.627 1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.093 -6.932 -0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.963 -6.332 1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.037 -7.371 1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.862 -8.662 1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.563 -8.580 0.037 1.00 0.00 H new ATOM 612 N TYR A 46 -7.170 -7.462 -1.737 1.00 0.00 N ATOM 613 CA TYR A 46 -8.196 -6.527 -2.183 1.00 0.00 C ATOM 614 C TYR A 46 -8.170 -5.251 -1.348 1.00 0.00 C ATOM 615 O TYR A 46 -7.859 -5.281 -0.158 1.00 0.00 O ATOM 616 CB TYR A 46 -9.578 -7.177 -2.100 1.00 0.00 C ATOM 617 CG TYR A 46 -9.701 -8.445 -2.914 1.00 0.00 C ATOM 618 CD1 TYR A 46 -8.896 -9.545 -2.648 1.00 0.00 C ATOM 619 CD2 TYR A 46 -10.623 -8.543 -3.949 1.00 0.00 C ATOM 620 CE1 TYR A 46 -9.004 -10.706 -3.389 1.00 0.00 C ATOM 621 CE2 TYR A 46 -10.739 -9.700 -4.695 1.00 0.00 C ATOM 622 CZ TYR A 46 -9.928 -10.779 -4.411 1.00 0.00 C ATOM 623 OH TYR A 46 -10.039 -11.933 -5.152 1.00 0.00 O ATOM 0 H TYR A 46 -7.168 -7.638 -0.732 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.987 -6.265 -3.220 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -9.803 -7.402 -1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.327 -6.462 -2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.173 -9.492 -1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.260 -7.700 -4.174 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.369 -11.551 -3.170 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -11.461 -9.759 -5.496 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.736 -11.820 -5.831 1.00 0.00 H new ATOM 633 N ARG A 47 -8.500 -4.130 -1.982 1.00 0.00 N ATOM 634 CA ARG A 47 -8.515 -2.842 -1.300 1.00 0.00 C ATOM 635 C ARG A 47 -9.617 -1.945 -1.856 1.00 0.00 C ATOM 636 O ARG A 47 -9.906 -1.968 -3.053 1.00 0.00 O ATOM 637 CB ARG A 47 -7.158 -2.150 -1.442 1.00 0.00 C ATOM 638 CG ARG A 47 -5.999 -2.963 -0.889 1.00 0.00 C ATOM 639 CD ARG A 47 -5.720 -2.617 0.565 1.00 0.00 C ATOM 640 NE ARG A 47 -4.560 -3.335 1.085 1.00 0.00 N ATOM 641 CZ ARG A 47 -3.355 -2.789 1.215 1.00 0.00 C ATOM 642 NH1 ARG A 47 -3.155 -1.526 0.865 1.00 0.00 N ATOM 643 NH2 ARG A 47 -2.349 -3.507 1.697 1.00 0.00 N ATOM 0 H ARG A 47 -8.761 -4.088 -2.967 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.715 -3.021 -0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.974 -1.942 -2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.194 -1.189 -0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.225 -4.026 -0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.106 -2.778 -1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.553 -1.544 0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.595 -2.856 1.169 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.681 -4.309 1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.927 -0.971 0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.229 -1.109 0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.500 -4.479 1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.425 -3.087 1.796 1.00 0.00 H new ATOM 657 N HIS A 48 -10.229 -1.155 -0.979 1.00 0.00 N ATOM 658 CA HIS A 48 -11.299 -0.250 -1.382 1.00 0.00 C ATOM 659 C HIS A 48 -10.823 0.701 -2.477 1.00 0.00 C ATOM 660 O HIS A 48 -9.625 0.888 -2.692 1.00 0.00 O ATOM 661 CB HIS A 48 -11.800 0.550 -0.179 1.00 0.00 C ATOM 662 CG HIS A 48 -12.890 -0.137 0.584 1.00 0.00 C ATOM 663 ND1 HIS A 48 -12.931 -0.184 1.961 1.00 0.00 N ATOM 664 CD2 HIS A 48 -13.986 -0.806 0.154 1.00 0.00 C ATOM 665 CE1 HIS A 48 -14.003 -0.854 2.346 1.00 0.00 C ATOM 666 NE2 HIS A 48 -14.661 -1.241 1.268 1.00 0.00 N ATOM 0 H HIS A 48 -10.002 -1.124 0.015 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.119 -0.850 -1.777 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.963 0.743 0.493 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.163 1.519 -0.523 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.275 -0.967 -0.874 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.292 -1.051 3.368 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.529 -1.776 1.264 1.00 0.00 H new ATOM 674 N PRO A 49 -11.781 1.315 -3.186 1.00 0.00 N ATOM 675 CA PRO A 49 -11.484 2.256 -4.270 1.00 0.00 C ATOM 676 C PRO A 49 -10.889 3.563 -3.756 1.00 0.00 C ATOM 677 O PRO A 49 -10.396 4.379 -4.534 1.00 0.00 O ATOM 678 CB PRO A 49 -12.852 2.506 -4.908 1.00 0.00 C ATOM 679 CG PRO A 49 -13.833 2.233 -3.821 1.00 0.00 C ATOM 680 CD PRO A 49 -13.229 1.139 -2.984 1.00 0.00 C ATOM 0 HA PRO A 49 -10.742 1.859 -4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.938 3.530 -5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.016 1.850 -5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.013 3.127 -3.224 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.795 1.925 -4.231 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.503 1.239 -1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.563 0.154 -3.309 1.00 0.00 H new ATOM 688 N GLU A 50 -10.939 3.755 -2.442 1.00 0.00 N ATOM 689 CA GLU A 50 -10.405 4.964 -1.825 1.00 0.00 C ATOM 690 C GLU A 50 -9.252 4.631 -0.884 1.00 0.00 C ATOM 691 O GLU A 50 -8.392 5.471 -0.615 1.00 0.00 O ATOM 692 CB GLU A 50 -11.506 5.701 -1.060 1.00 0.00 C ATOM 693 CG GLU A 50 -12.158 4.863 0.027 1.00 0.00 C ATOM 694 CD GLU A 50 -13.378 5.534 0.628 1.00 0.00 C ATOM 695 OE1 GLU A 50 -13.296 6.740 0.943 1.00 0.00 O ATOM 696 OE2 GLU A 50 -14.414 4.854 0.784 1.00 0.00 O ATOM 0 H GLU A 50 -11.344 3.089 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.028 5.610 -2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.085 6.600 -0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.271 6.026 -1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.447 3.897 -0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.431 4.667 0.815 1.00 0.00 H new ATOM 703 N CYS A 51 -9.239 3.399 -0.385 1.00 0.00 N ATOM 704 CA CYS A 51 -8.193 2.953 0.527 1.00 0.00 C ATOM 705 C CYS A 51 -6.896 2.677 -0.227 1.00 0.00 C ATOM 706 O CYS A 51 -5.803 2.908 0.290 1.00 0.00 O ATOM 707 CB CYS A 51 -8.640 1.694 1.273 1.00 0.00 C ATOM 708 SG CYS A 51 -9.960 1.984 2.494 1.00 0.00 S ATOM 0 H CYS A 51 -9.942 2.691 -0.598 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.011 3.749 1.249 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -8.986 0.958 0.547 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.779 1.260 1.781 1.00 0.00 H new ATOM 713 N PHE A 52 -7.024 2.181 -1.453 1.00 0.00 N ATOM 714 CA PHE A 52 -5.863 1.872 -2.279 1.00 0.00 C ATOM 715 C PHE A 52 -4.924 3.072 -2.368 1.00 0.00 C ATOM 716 O PHE A 52 -5.177 4.019 -3.113 1.00 0.00 O ATOM 717 CB PHE A 52 -6.305 1.451 -3.682 1.00 0.00 C ATOM 718 CG PHE A 52 -5.392 0.445 -4.322 1.00 0.00 C ATOM 719 CD1 PHE A 52 -4.999 -0.691 -3.633 1.00 0.00 C ATOM 720 CD2 PHE A 52 -4.926 0.636 -5.613 1.00 0.00 C ATOM 721 CE1 PHE A 52 -4.158 -1.618 -4.220 1.00 0.00 C ATOM 722 CE2 PHE A 52 -4.084 -0.287 -6.205 1.00 0.00 C ATOM 723 CZ PHE A 52 -3.701 -1.416 -5.508 1.00 0.00 C ATOM 0 H PHE A 52 -7.921 1.984 -1.897 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.326 1.046 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.311 1.034 -3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.361 2.335 -4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.354 -0.854 -2.626 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.224 1.516 -6.163 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.859 -2.499 -3.672 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.726 -0.125 -7.211 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.045 -2.140 -5.969 1.00 0.00 H new ATOM 733 N VAL A 53 -3.839 3.025 -1.602 1.00 0.00 N ATOM 734 CA VAL A 53 -2.861 4.106 -1.593 1.00 0.00 C ATOM 735 C VAL A 53 -1.525 3.635 -1.032 1.00 0.00 C ATOM 736 O VAL A 53 -1.401 2.504 -0.559 1.00 0.00 O ATOM 737 CB VAL A 53 -3.359 5.306 -0.765 1.00 0.00 C ATOM 738 CG1 VAL A 53 -4.713 5.780 -1.272 1.00 0.00 C ATOM 739 CG2 VAL A 53 -3.430 4.942 0.710 1.00 0.00 C ATOM 0 H VAL A 53 -3.615 2.249 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.726 4.419 -2.628 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.649 6.125 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.049 6.628 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.625 6.083 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.437 4.969 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.784 5.801 1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.118 4.108 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.439 4.656 1.062 1.00 0.00 H new ATOM 749 N CYS A 54 -0.525 4.509 -1.085 1.00 0.00 N ATOM 750 CA CYS A 54 0.804 4.184 -0.582 1.00 0.00 C ATOM 751 C CYS A 54 0.796 4.069 0.940 1.00 0.00 C ATOM 752 O CYS A 54 -0.181 4.430 1.595 1.00 0.00 O ATOM 753 CB CYS A 54 1.812 5.248 -1.020 1.00 0.00 C ATOM 754 SG CYS A 54 3.553 4.765 -0.782 1.00 0.00 S ATOM 0 H CYS A 54 -0.611 5.449 -1.472 1.00 0.00 H new ATOM 0 HA CYS A 54 1.099 3.221 -1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.650 5.475 -2.074 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.621 6.165 -0.463 1.00 0.00 H new ATOM 759 N ALA A 55 1.894 3.566 1.495 1.00 0.00 N ATOM 760 CA ALA A 55 2.015 3.406 2.939 1.00 0.00 C ATOM 761 C ALA A 55 2.955 4.452 3.530 1.00 0.00 C ATOM 762 O ALA A 55 3.046 4.600 4.748 1.00 0.00 O ATOM 763 CB ALA A 55 2.502 2.005 3.276 1.00 0.00 C ATOM 0 H ALA A 55 2.712 3.262 0.967 1.00 0.00 H new ATOM 0 HA ALA A 55 1.029 3.551 3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.588 1.900 4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.791 1.271 2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.476 1.838 2.817 1.00 0.00 H new ATOM 769 N ASP A 56 3.652 5.173 2.659 1.00 0.00 N ATOM 770 CA ASP A 56 4.585 6.205 3.095 1.00 0.00 C ATOM 771 C ASP A 56 4.019 7.597 2.830 1.00 0.00 C ATOM 772 O ASP A 56 4.180 8.509 3.642 1.00 0.00 O ATOM 773 CB ASP A 56 5.928 6.043 2.380 1.00 0.00 C ATOM 774 CG ASP A 56 7.073 6.671 3.151 1.00 0.00 C ATOM 775 OD1 ASP A 56 6.930 6.860 4.377 1.00 0.00 O ATOM 776 OD2 ASP A 56 8.112 6.975 2.527 1.00 0.00 O ATOM 0 H ASP A 56 3.589 5.062 1.647 1.00 0.00 H new ATOM 0 HA ASP A 56 4.737 6.092 4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.132 4.983 2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.867 6.497 1.391 1.00 0.00 H new ATOM 781 N CYS A 57 3.356 7.753 1.689 1.00 0.00 N ATOM 782 CA CYS A 57 2.767 9.033 1.316 1.00 0.00 C ATOM 783 C CYS A 57 1.251 8.917 1.187 1.00 0.00 C ATOM 784 O CYS A 57 0.542 9.922 1.154 1.00 0.00 O ATOM 785 CB CYS A 57 3.365 9.529 -0.002 1.00 0.00 C ATOM 786 SG CYS A 57 3.216 8.344 -1.378 1.00 0.00 S ATOM 0 H CYS A 57 3.213 7.008 1.007 1.00 0.00 H new ATOM 0 HA CYS A 57 2.994 9.752 2.103 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.874 10.460 -0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.419 9.759 0.153 1.00 0.00 H new ATOM 791 N ASN A 58 0.761 7.683 1.115 1.00 0.00 N ATOM 792 CA ASN A 58 -0.671 7.435 0.990 1.00 0.00 C ATOM 793 C ASN A 58 -1.207 7.997 -0.323 1.00 0.00 C ATOM 794 O ASN A 58 -2.269 8.620 -0.356 1.00 0.00 O ATOM 795 CB ASN A 58 -1.422 8.057 2.169 1.00 0.00 C ATOM 796 CG ASN A 58 -2.715 7.328 2.479 1.00 0.00 C ATOM 797 OD1 ASN A 58 -3.799 7.776 2.102 1.00 0.00 O ATOM 798 ND2 ASN A 58 -2.607 6.199 3.169 1.00 0.00 N ATOM 0 H ASN A 58 1.334 6.840 1.141 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.830 6.357 0.995 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.781 8.046 3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.641 9.101 1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.443 5.665 3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.688 5.865 3.461 1.00 0.00 H new ATOM 805 N LEU A 59 -0.467 7.772 -1.403 1.00 0.00 N ATOM 806 CA LEU A 59 -0.868 8.255 -2.720 1.00 0.00 C ATOM 807 C LEU A 59 -1.698 7.207 -3.455 1.00 0.00 C ATOM 808 O LEU A 59 -1.414 6.013 -3.380 1.00 0.00 O ATOM 809 CB LEU A 59 0.365 8.619 -3.548 1.00 0.00 C ATOM 810 CG LEU A 59 0.098 9.089 -4.979 1.00 0.00 C ATOM 811 CD1 LEU A 59 -0.625 10.426 -4.975 1.00 0.00 C ATOM 812 CD2 LEU A 59 1.400 9.186 -5.760 1.00 0.00 C ATOM 0 H LEU A 59 0.414 7.258 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.481 9.146 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.910 9.404 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.020 7.749 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.542 8.355 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.806 10.745 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.577 10.324 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.011 11.170 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.191 9.522 -6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.065 9.899 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.878 8.207 -5.793 1.00 0.00 H new ATOM 824 N ASN A 60 -2.723 7.664 -4.166 1.00 0.00 N ATOM 825 CA ASN A 60 -3.593 6.766 -4.916 1.00 0.00 C ATOM 826 C ASN A 60 -2.779 5.868 -5.843 1.00 0.00 C ATOM 827 O ASN A 60 -2.135 6.344 -6.778 1.00 0.00 O ATOM 828 CB ASN A 60 -4.610 7.570 -5.730 1.00 0.00 C ATOM 829 CG ASN A 60 -5.964 6.890 -5.796 1.00 0.00 C ATOM 830 OD1 ASN A 60 -6.436 6.526 -6.873 1.00 0.00 O ATOM 831 ND2 ASN A 60 -6.596 6.718 -4.641 1.00 0.00 N ATOM 0 H ASN A 60 -2.972 8.651 -4.239 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.124 6.136 -4.203 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.725 8.560 -5.288 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.229 7.715 -6.741 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.511 6.268 -4.623 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.166 7.036 -3.772 1.00 0.00 H new ATOM 838 N LEU A 61 -2.813 4.567 -5.576 1.00 0.00 N ATOM 839 CA LEU A 61 -2.079 3.601 -6.386 1.00 0.00 C ATOM 840 C LEU A 61 -3.011 2.890 -7.363 1.00 0.00 C ATOM 841 O LEU A 61 -2.647 1.876 -7.958 1.00 0.00 O ATOM 842 CB LEU A 61 -1.385 2.575 -5.487 1.00 0.00 C ATOM 843 CG LEU A 61 -0.495 3.145 -4.383 1.00 0.00 C ATOM 844 CD1 LEU A 61 -0.052 2.043 -3.433 1.00 0.00 C ATOM 845 CD2 LEU A 61 0.712 3.852 -4.982 1.00 0.00 C ATOM 0 H LEU A 61 -3.341 4.157 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.326 4.142 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.149 1.951 -5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.778 1.923 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.074 3.875 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.581 2.467 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.928 1.581 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.509 1.290 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.334 4.251 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.292 3.144 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.375 4.668 -5.621 1.00 0.00 H new ATOM 857 N LYS A 62 -4.214 3.430 -7.524 1.00 0.00 N ATOM 858 CA LYS A 62 -5.198 2.851 -8.431 1.00 0.00 C ATOM 859 C LYS A 62 -4.770 3.032 -9.884 1.00 0.00 C ATOM 860 O LYS A 62 -4.415 2.067 -10.560 1.00 0.00 O ATOM 861 CB LYS A 62 -6.568 3.493 -8.208 1.00 0.00 C ATOM 862 CG LYS A 62 -7.568 3.192 -9.311 1.00 0.00 C ATOM 863 CD LYS A 62 -8.254 1.853 -9.092 1.00 0.00 C ATOM 864 CE LYS A 62 -7.465 0.714 -9.720 1.00 0.00 C ATOM 865 NZ LYS A 62 -8.336 -0.448 -10.049 1.00 0.00 N ATOM 0 H LYS A 62 -4.531 4.269 -7.038 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.266 1.784 -8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.973 3.145 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.445 4.573 -8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.317 3.983 -9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.058 3.187 -10.274 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.368 1.672 -8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.256 1.882 -9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.974 1.068 -10.627 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.679 0.396 -9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.797 -1.330 -9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.157 -0.458 -9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.664 -0.369 -11.033 1.00 0.00 H new ATOM 879 N GLN A 63 -4.807 4.273 -10.357 1.00 0.00 N ATOM 880 CA GLN A 63 -4.422 4.579 -11.730 1.00 0.00 C ATOM 881 C GLN A 63 -2.916 4.434 -11.918 1.00 0.00 C ATOM 882 O GLN A 63 -2.454 3.912 -12.933 1.00 0.00 O ATOM 883 CB GLN A 63 -4.860 5.997 -12.100 1.00 0.00 C ATOM 884 CG GLN A 63 -4.427 7.051 -11.093 1.00 0.00 C ATOM 885 CD GLN A 63 -4.571 8.462 -11.627 1.00 0.00 C ATOM 886 OE1 GLN A 63 -3.594 9.204 -11.725 1.00 0.00 O ATOM 887 NE2 GLN A 63 -5.795 8.841 -11.975 1.00 0.00 N ATOM 0 H GLN A 63 -5.099 5.083 -9.810 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.922 3.868 -12.388 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.451 6.251 -13.078 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.946 6.020 -12.193 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.022 6.947 -10.186 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.388 6.876 -10.814 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.577 8.193 -11.877 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.954 9.780 -12.340 1.00 0.00 H new ATOM 896 N LYS A 64 -2.154 4.899 -10.934 1.00 0.00 N ATOM 897 CA LYS A 64 -0.699 4.821 -10.990 1.00 0.00 C ATOM 898 C LYS A 64 -0.224 3.382 -10.813 1.00 0.00 C ATOM 899 O LYS A 64 -1.008 2.498 -10.470 1.00 0.00 O ATOM 900 CB LYS A 64 -0.078 5.711 -9.912 1.00 0.00 C ATOM 901 CG LYS A 64 -0.471 7.174 -10.029 1.00 0.00 C ATOM 902 CD LYS A 64 0.193 8.018 -8.954 1.00 0.00 C ATOM 903 CE LYS A 64 -0.141 9.492 -9.118 1.00 0.00 C ATOM 904 NZ LYS A 64 0.814 10.180 -10.030 1.00 0.00 N ATOM 0 H LYS A 64 -2.520 5.334 -10.087 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.379 5.172 -11.971 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.376 5.341 -8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.008 5.630 -9.967 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.190 7.550 -11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.554 7.268 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.131 7.678 -7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.274 7.881 -8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.153 9.593 -9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.126 9.978 -8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.552 11.183 -10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.777 10.106 -9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.781 9.733 -10.968 1.00 0.00 H new ATOM 918 N GLY A 65 1.065 3.156 -11.047 1.00 0.00 N ATOM 919 CA GLY A 65 1.622 1.823 -10.906 1.00 0.00 C ATOM 920 C GLY A 65 1.796 1.418 -9.456 1.00 0.00 C ATOM 921 O GLY A 65 2.639 1.969 -8.747 1.00 0.00 O ATOM 0 H GLY A 65 1.733 3.872 -11.332 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.970 1.106 -11.405 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.587 1.781 -11.410 1.00 0.00 H new ATOM 925 N TYR A 66 0.997 0.454 -9.013 1.00 0.00 N ATOM 926 CA TYR A 66 1.064 -0.022 -7.637 1.00 0.00 C ATOM 927 C TYR A 66 2.254 -0.956 -7.440 1.00 0.00 C ATOM 928 O TYR A 66 2.785 -1.515 -8.400 1.00 0.00 O ATOM 929 CB TYR A 66 -0.232 -0.743 -7.260 1.00 0.00 C ATOM 930 CG TYR A 66 -0.362 -2.117 -7.879 1.00 0.00 C ATOM 931 CD1 TYR A 66 0.145 -3.240 -7.236 1.00 0.00 C ATOM 932 CD2 TYR A 66 -0.992 -2.292 -9.104 1.00 0.00 C ATOM 933 CE1 TYR A 66 0.029 -4.497 -7.798 1.00 0.00 C ATOM 934 CE2 TYR A 66 -1.113 -3.545 -9.673 1.00 0.00 C ATOM 935 CZ TYR A 66 -0.601 -4.644 -9.016 1.00 0.00 C ATOM 936 OH TYR A 66 -0.720 -5.895 -9.578 1.00 0.00 O ATOM 0 H TYR A 66 0.295 -0.013 -9.587 1.00 0.00 H new ATOM 0 HA TYR A 66 1.193 0.843 -6.987 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.284 -0.836 -6.175 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.081 -0.133 -7.569 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.638 -3.128 -6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.394 -1.433 -9.621 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.429 -5.360 -7.286 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.606 -3.663 -10.627 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.190 -5.825 -10.435 1.00 0.00 H new ATOM 946 N PHE A 67 2.669 -1.121 -6.188 1.00 0.00 N ATOM 947 CA PHE A 67 3.796 -1.986 -5.864 1.00 0.00 C ATOM 948 C PHE A 67 3.502 -2.819 -4.620 1.00 0.00 C ATOM 949 O PHE A 67 2.633 -2.473 -3.819 1.00 0.00 O ATOM 950 CB PHE A 67 5.061 -1.152 -5.646 1.00 0.00 C ATOM 951 CG PHE A 67 5.807 -0.853 -6.915 1.00 0.00 C ATOM 952 CD1 PHE A 67 5.222 -0.096 -7.916 1.00 0.00 C ATOM 953 CD2 PHE A 67 7.094 -1.329 -7.106 1.00 0.00 C ATOM 954 CE1 PHE A 67 5.906 0.182 -9.085 1.00 0.00 C ATOM 955 CE2 PHE A 67 7.783 -1.055 -8.271 1.00 0.00 C ATOM 956 CZ PHE A 67 7.188 -0.299 -9.263 1.00 0.00 C ATOM 0 H PHE A 67 2.241 -0.666 -5.381 1.00 0.00 H new ATOM 0 HA PHE A 67 3.956 -2.662 -6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.789 -0.213 -5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.723 -1.682 -4.961 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.219 0.282 -7.782 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.564 -1.921 -6.335 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.438 0.774 -9.858 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.786 -1.431 -8.407 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.725 -0.085 -10.176 1.00 0.00 H new ATOM 966 N PHE A 68 4.233 -3.918 -4.464 1.00 0.00 N ATOM 967 CA PHE A 68 4.050 -4.802 -3.319 1.00 0.00 C ATOM 968 C PHE A 68 5.389 -5.127 -2.664 1.00 0.00 C ATOM 969 O PHE A 68 6.151 -5.958 -3.160 1.00 0.00 O ATOM 970 CB PHE A 68 3.354 -6.094 -3.751 1.00 0.00 C ATOM 971 CG PHE A 68 1.856 -6.027 -3.662 1.00 0.00 C ATOM 972 CD1 PHE A 68 1.225 -5.958 -2.431 1.00 0.00 C ATOM 973 CD2 PHE A 68 1.080 -6.032 -4.810 1.00 0.00 C ATOM 974 CE1 PHE A 68 -0.154 -5.896 -2.345 1.00 0.00 C ATOM 975 CE2 PHE A 68 -0.299 -5.970 -4.730 1.00 0.00 C ATOM 976 CZ PHE A 68 -0.916 -5.903 -3.497 1.00 0.00 C ATOM 0 H PHE A 68 4.958 -4.218 -5.116 1.00 0.00 H new ATOM 0 HA PHE A 68 3.424 -4.287 -2.590 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.639 -6.325 -4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.711 -6.915 -3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.817 -5.953 -1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.557 -6.085 -5.777 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.634 -5.842 -1.379 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.893 -5.974 -5.632 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.993 -5.856 -3.433 1.00 0.00 H new ATOM 986 N VAL A 69 5.671 -4.465 -1.546 1.00 0.00 N ATOM 987 CA VAL A 69 6.917 -4.683 -0.822 1.00 0.00 C ATOM 988 C VAL A 69 6.651 -5.198 0.588 1.00 0.00 C ATOM 989 O VAL A 69 6.185 -4.457 1.452 1.00 0.00 O ATOM 990 CB VAL A 69 7.749 -3.390 -0.735 1.00 0.00 C ATOM 991 CG1 VAL A 69 9.019 -3.624 0.069 1.00 0.00 C ATOM 992 CG2 VAL A 69 8.079 -2.874 -2.128 1.00 0.00 C ATOM 0 H VAL A 69 5.053 -3.773 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 69 7.479 -5.432 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 69 7.157 -2.632 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.593 -2.699 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.757 -3.944 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.618 -4.397 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.667 -1.960 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.652 -3.627 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.155 -2.665 -2.667 1.00 0.00 H new ATOM 1002 N GLU A 70 6.951 -6.474 0.812 1.00 0.00 N ATOM 1003 CA GLU A 70 6.743 -7.088 2.118 1.00 0.00 C ATOM 1004 C GLU A 70 5.265 -7.072 2.498 1.00 0.00 C ATOM 1005 O GLU A 70 4.912 -6.837 3.653 1.00 0.00 O ATOM 1006 CB GLU A 70 7.563 -6.361 3.185 1.00 0.00 C ATOM 1007 CG GLU A 70 9.062 -6.565 3.044 1.00 0.00 C ATOM 1008 CD GLU A 70 9.551 -7.810 3.759 1.00 0.00 C ATOM 1009 OE1 GLU A 70 8.773 -8.781 3.860 1.00 0.00 O ATOM 1010 OE2 GLU A 70 10.713 -7.813 4.216 1.00 0.00 O ATOM 0 H GLU A 70 7.338 -7.101 0.107 1.00 0.00 H new ATOM 0 HA GLU A 70 7.074 -8.125 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.344 -5.294 3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.249 -6.706 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.318 -6.634 1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.583 -5.694 3.442 1.00 0.00 H new ATOM 1017 N GLY A 71 4.404 -7.322 1.516 1.00 0.00 N ATOM 1018 CA GLY A 71 2.975 -7.330 1.767 1.00 0.00 C ATOM 1019 C GLY A 71 2.366 -5.943 1.698 1.00 0.00 C ATOM 1020 O GLY A 71 1.216 -5.783 1.290 1.00 0.00 O ATOM 0 H GLY A 71 4.671 -7.519 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.485 -7.975 1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.784 -7.759 2.751 1.00 0.00 H new ATOM 1024 N GLU A 72 3.139 -4.939 2.100 1.00 0.00 N ATOM 1025 CA GLU A 72 2.667 -3.559 2.084 1.00 0.00 C ATOM 1026 C GLU A 72 2.767 -2.966 0.682 1.00 0.00 C ATOM 1027 O GLU A 72 3.625 -3.357 -0.110 1.00 0.00 O ATOM 1028 CB GLU A 72 3.474 -2.710 3.068 1.00 0.00 C ATOM 1029 CG GLU A 72 2.833 -1.368 3.381 1.00 0.00 C ATOM 1030 CD GLU A 72 1.458 -1.508 4.003 1.00 0.00 C ATOM 1031 OE1 GLU A 72 1.227 -2.512 4.710 1.00 0.00 O ATOM 1032 OE2 GLU A 72 0.612 -0.616 3.783 1.00 0.00 O ATOM 0 H GLU A 72 4.094 -5.055 2.440 1.00 0.00 H new ATOM 0 HA GLU A 72 1.620 -3.556 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.602 -3.267 3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.470 -2.541 2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.479 -0.811 4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.755 -0.784 2.464 1.00 0.00 H new ATOM 1039 N LEU A 73 1.884 -2.020 0.382 1.00 0.00 N ATOM 1040 CA LEU A 73 1.872 -1.371 -0.925 1.00 0.00 C ATOM 1041 C LEU A 73 2.711 -0.098 -0.909 1.00 0.00 C ATOM 1042 O LEU A 73 2.987 0.462 0.152 1.00 0.00 O ATOM 1043 CB LEU A 73 0.436 -1.044 -1.340 1.00 0.00 C ATOM 1044 CG LEU A 73 -0.294 -2.124 -2.140 1.00 0.00 C ATOM 1045 CD1 LEU A 73 -1.794 -2.041 -1.903 1.00 0.00 C ATOM 1046 CD2 LEU A 73 0.022 -1.994 -3.623 1.00 0.00 C ATOM 0 H LEU A 73 1.167 -1.685 1.026 1.00 0.00 H new ATOM 0 HA LEU A 73 2.306 -2.060 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.142 -0.834 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.449 -0.129 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 73 0.053 -3.099 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.297 -2.817 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.003 -2.184 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.158 -1.062 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.506 -2.770 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.297 -1.014 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.095 -2.104 -3.777 1.00 0.00 H new ATOM 1058 N TYR A 74 3.112 0.355 -2.092 1.00 0.00 N ATOM 1059 CA TYR A 74 3.920 1.562 -2.214 1.00 0.00 C ATOM 1060 C TYR A 74 3.820 2.144 -3.621 1.00 0.00 C ATOM 1061 O TYR A 74 3.459 1.448 -4.570 1.00 0.00 O ATOM 1062 CB TYR A 74 5.381 1.259 -1.878 1.00 0.00 C ATOM 1063 CG TYR A 74 5.625 1.010 -0.407 1.00 0.00 C ATOM 1064 CD1 TYR A 74 5.722 2.067 0.490 1.00 0.00 C ATOM 1065 CD2 TYR A 74 5.759 -0.282 0.086 1.00 0.00 C ATOM 1066 CE1 TYR A 74 5.946 1.844 1.835 1.00 0.00 C ATOM 1067 CE2 TYR A 74 5.981 -0.514 1.430 1.00 0.00 C ATOM 1068 CZ TYR A 74 6.074 0.552 2.300 1.00 0.00 C ATOM 1069 OH TYR A 74 6.296 0.326 3.639 1.00 0.00 O ATOM 0 H TYR A 74 2.890 -0.096 -2.980 1.00 0.00 H new ATOM 0 HA TYR A 74 3.537 2.298 -1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.701 0.384 -2.444 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.001 2.094 -2.204 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.621 3.080 0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.688 -1.119 -0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.020 2.677 2.518 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.081 -1.525 1.797 1.00 0.00 H new ATOM 0 HH TYR A 74 6.361 -0.638 3.802 1.00 0.00 H new ATOM 1079 N CYS A 75 4.142 3.427 -3.747 1.00 0.00 N ATOM 1080 CA CYS A 75 4.090 4.106 -5.036 1.00 0.00 C ATOM 1081 C CYS A 75 5.392 3.909 -5.808 1.00 0.00 C ATOM 1082 O CYS A 75 6.456 3.742 -5.215 1.00 0.00 O ATOM 1083 CB CYS A 75 3.821 5.599 -4.839 1.00 0.00 C ATOM 1084 SG CYS A 75 5.102 6.464 -3.874 1.00 0.00 S ATOM 0 H CYS A 75 4.442 4.018 -2.971 1.00 0.00 H new ATOM 0 HA CYS A 75 3.276 3.671 -5.615 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.735 6.074 -5.816 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.860 5.721 -4.339 1.00 0.00 H new ATOM 1089 N GLU A 76 5.296 3.932 -7.134 1.00 0.00 N ATOM 1090 CA GLU A 76 6.466 3.756 -7.986 1.00 0.00 C ATOM 1091 C GLU A 76 7.691 4.433 -7.376 1.00 0.00 C ATOM 1092 O GLU A 76 8.792 3.882 -7.392 1.00 0.00 O ATOM 1093 CB GLU A 76 6.199 4.323 -9.382 1.00 0.00 C ATOM 1094 CG GLU A 76 7.304 4.027 -10.381 1.00 0.00 C ATOM 1095 CD GLU A 76 7.193 4.866 -11.639 1.00 0.00 C ATOM 1096 OE1 GLU A 76 6.737 6.024 -11.542 1.00 0.00 O ATOM 1097 OE2 GLU A 76 7.562 4.364 -12.721 1.00 0.00 O ATOM 0 H GLU A 76 4.422 4.071 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 76 6.666 2.688 -8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.262 3.913 -9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.068 5.403 -9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.271 4.208 -9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.273 2.971 -10.649 1.00 0.00 H new ATOM 1104 N THR A 77 7.490 5.632 -6.839 1.00 0.00 N ATOM 1105 CA THR A 77 8.576 6.386 -6.226 1.00 0.00 C ATOM 1106 C THR A 77 9.168 5.632 -5.041 1.00 0.00 C ATOM 1107 O THR A 77 10.297 5.143 -5.104 1.00 0.00 O ATOM 1108 CB THR A 77 8.100 7.772 -5.752 1.00 0.00 C ATOM 1109 OG1 THR A 77 7.571 8.513 -6.857 1.00 0.00 O ATOM 1110 CG2 THR A 77 9.244 8.549 -5.116 1.00 0.00 C ATOM 0 H THR A 77 6.585 6.102 -6.816 1.00 0.00 H new ATOM 0 HA THR A 77 9.342 6.515 -6.991 1.00 0.00 H new ATOM 0 HB THR A 77 7.320 7.627 -5.005 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.269 9.392 -6.547 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.884 9.524 -4.789 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.626 7.997 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.043 8.683 -5.846 1.00 0.00 H new ATOM 1118 N HIS A 78 8.400 5.541 -3.960 1.00 0.00 N ATOM 1119 CA HIS A 78 8.849 4.844 -2.760 1.00 0.00 C ATOM 1120 C HIS A 78 9.198 3.392 -3.073 1.00 0.00 C ATOM 1121 O HIS A 78 10.308 2.938 -2.797 1.00 0.00 O ATOM 1122 CB HIS A 78 7.769 4.899 -1.679 1.00 0.00 C ATOM 1123 CG HIS A 78 7.728 6.200 -0.939 1.00 0.00 C ATOM 1124 ND1 HIS A 78 6.567 6.918 -0.742 1.00 0.00 N ATOM 1125 CD2 HIS A 78 8.714 6.912 -0.344 1.00 0.00 C ATOM 1126 CE1 HIS A 78 6.841 8.016 -0.060 1.00 0.00 C ATOM 1127 NE2 HIS A 78 8.138 8.036 0.194 1.00 0.00 N ATOM 0 H HIS A 78 7.464 5.941 -3.890 1.00 0.00 H new ATOM 0 HA HIS A 78 9.746 5.344 -2.394 1.00 0.00 H new ATOM 0 HB2 HIS A 78 6.797 4.721 -2.139 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.937 4.091 -0.967 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.760 6.645 -0.301 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.127 8.769 0.239 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.631 8.768 0.706 1.00 0.00 H new ATOM 1135 N ALA A 79 8.243 2.670 -3.650 1.00 0.00 N ATOM 1136 CA ALA A 79 8.451 1.270 -4.001 1.00 0.00 C ATOM 1137 C ALA A 79 9.816 1.064 -4.649 1.00 0.00 C ATOM 1138 O ALA A 79 10.635 0.287 -4.157 1.00 0.00 O ATOM 1139 CB ALA A 79 7.346 0.790 -4.930 1.00 0.00 C ATOM 0 H ALA A 79 7.318 3.031 -3.884 1.00 0.00 H new ATOM 0 HA ALA A 79 8.421 0.682 -3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.513 -0.257 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.382 0.893 -4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.350 1.390 -5.840 1.00 0.00 H new ATOM 1145 N ARG A 80 10.054 1.763 -5.754 1.00 0.00 N ATOM 1146 CA ARG A 80 11.319 1.654 -6.470 1.00 0.00 C ATOM 1147 C ARG A 80 12.495 1.659 -5.498 1.00 0.00 C ATOM 1148 O ARG A 80 13.453 0.903 -5.663 1.00 0.00 O ATOM 1149 CB ARG A 80 11.464 2.803 -7.469 1.00 0.00 C ATOM 1150 CG ARG A 80 10.912 2.483 -8.849 1.00 0.00 C ATOM 1151 CD ARG A 80 11.506 3.395 -9.911 1.00 0.00 C ATOM 1152 NE ARG A 80 10.972 3.108 -11.240 1.00 0.00 N ATOM 1153 CZ ARG A 80 11.470 2.179 -12.047 1.00 0.00 C ATOM 1154 NH1 ARG A 80 12.509 1.450 -11.663 1.00 0.00 N ATOM 1155 NH2 ARG A 80 10.929 1.976 -13.242 1.00 0.00 N ATOM 0 H ARG A 80 9.387 2.411 -6.173 1.00 0.00 H new ATOM 0 HA ARG A 80 11.322 0.708 -7.012 1.00 0.00 H new ATOM 0 HB2 ARG A 80 10.952 3.681 -7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.519 3.063 -7.560 1.00 0.00 H new ATOM 0 HG2 ARG A 80 11.129 1.444 -9.097 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.827 2.589 -8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 80 11.299 4.434 -9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 80 12.590 3.279 -9.923 1.00 0.00 H new ATOM 0 HE ARG A 80 10.173 3.651 -11.566 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.928 1.602 -10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.889 0.737 -12.285 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.130 2.534 -13.541 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.313 1.262 -13.861 1.00 0.00 H new ATOM 1169 N ALA A 81 12.416 2.516 -4.485 1.00 0.00 N ATOM 1170 CA ALA A 81 13.473 2.618 -3.487 1.00 0.00 C ATOM 1171 C ALA A 81 13.596 1.328 -2.683 1.00 0.00 C ATOM 1172 O ALA A 81 14.688 0.953 -2.256 1.00 0.00 O ATOM 1173 CB ALA A 81 13.211 3.796 -2.560 1.00 0.00 C ATOM 0 H ALA A 81 11.631 3.149 -4.334 1.00 0.00 H new ATOM 0 HA ALA A 81 14.416 2.782 -4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.008 3.861 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.181 4.717 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.256 3.655 -2.054 1.00 0.00 H new ATOM 1179 N ARG A 82 12.469 0.653 -2.481 1.00 0.00 N ATOM 1180 CA ARG A 82 12.451 -0.595 -1.727 1.00 0.00 C ATOM 1181 C ARG A 82 12.881 -1.767 -2.604 1.00 0.00 C ATOM 1182 O ARG A 82 13.907 -2.401 -2.354 1.00 0.00 O ATOM 1183 CB ARG A 82 11.054 -0.853 -1.161 1.00 0.00 C ATOM 1184 CG ARG A 82 10.553 0.253 -0.246 1.00 0.00 C ATOM 1185 CD ARG A 82 9.033 0.303 -0.213 1.00 0.00 C ATOM 1186 NE ARG A 82 8.538 1.607 0.219 1.00 0.00 N ATOM 1187 CZ ARG A 82 8.669 2.070 1.457 1.00 0.00 C ATOM 1188 NH1 ARG A 82 9.277 1.339 2.381 1.00 0.00 N ATOM 1189 NH2 ARG A 82 8.192 3.268 1.773 1.00 0.00 N ATOM 0 H ARG A 82 11.557 0.949 -2.829 1.00 0.00 H new ATOM 0 HA ARG A 82 13.158 -0.502 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.353 -0.975 -1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.063 -1.793 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.935 0.093 0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.942 1.213 -0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.641 0.077 -1.205 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.659 -0.468 0.461 1.00 0.00 H new ATOM 0 HE ARG A 82 8.066 2.195 -0.468 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.646 0.418 2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.376 1.697 3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.724 3.834 1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.293 3.623 2.724 1.00 0.00 H new ATOM 1203 N THR A 83 12.089 -2.050 -3.634 1.00 0.00 N ATOM 1204 CA THR A 83 12.386 -3.146 -4.547 1.00 0.00 C ATOM 1205 C THR A 83 13.633 -2.851 -5.373 1.00 0.00 C ATOM 1206 O THR A 83 14.528 -3.689 -5.483 1.00 0.00 O ATOM 1207 CB THR A 83 11.206 -3.419 -5.499 1.00 0.00 C ATOM 1208 OG1 THR A 83 11.541 -4.478 -6.403 1.00 0.00 O ATOM 1209 CG2 THR A 83 10.846 -2.168 -6.287 1.00 0.00 C ATOM 0 H THR A 83 11.237 -1.535 -3.856 1.00 0.00 H new ATOM 0 HA THR A 83 12.561 -4.030 -3.934 1.00 0.00 H new ATOM 0 HB THR A 83 10.344 -3.712 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.785 -4.647 -7.004 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.010 -2.385 -6.952 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.564 -1.372 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.706 -1.849 -6.876 1.00 0.00 H new ATOM 1217 N SER A 84 13.686 -1.655 -5.950 1.00 0.00 N ATOM 1218 CA SER A 84 14.823 -1.251 -6.769 1.00 0.00 C ATOM 1219 C SER A 84 14.957 -2.150 -7.994 1.00 0.00 C ATOM 1220 O SER A 84 16.052 -2.597 -8.334 1.00 0.00 O ATOM 1221 CB SER A 84 16.112 -1.296 -5.946 1.00 0.00 C ATOM 1222 OG SER A 84 17.186 -0.695 -6.649 1.00 0.00 O ATOM 0 H SER A 84 12.955 -0.949 -5.866 1.00 0.00 H new ATOM 0 HA SER A 84 14.651 -0.229 -7.107 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.960 -0.781 -4.998 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.361 -2.331 -5.710 1.00 0.00 H new ATOM 0 HG SER A 84 17.269 -1.108 -7.534 1.00 0.00 H new ATOM 1228 N GLY A 85 13.833 -2.412 -8.655 1.00 0.00 N ATOM 1229 CA GLY A 85 13.845 -3.256 -9.835 1.00 0.00 C ATOM 1230 C GLY A 85 12.823 -4.373 -9.759 1.00 0.00 C ATOM 1231 O GLY A 85 13.124 -5.492 -9.344 1.00 0.00 O ATOM 0 H GLY A 85 12.914 -2.054 -8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.647 -2.646 -10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.839 -3.685 -9.961 1.00 0.00 H new ATOM 1235 N PRO A 86 11.581 -4.072 -10.167 1.00 0.00 N ATOM 1236 CA PRO A 86 10.485 -5.046 -10.151 1.00 0.00 C ATOM 1237 C PRO A 86 10.668 -6.140 -11.197 1.00 0.00 C ATOM 1238 O PRO A 86 9.766 -6.945 -11.432 1.00 0.00 O ATOM 1239 CB PRO A 86 9.252 -4.198 -10.475 1.00 0.00 C ATOM 1240 CG PRO A 86 9.783 -3.033 -11.236 1.00 0.00 C ATOM 1241 CD PRO A 86 11.150 -2.758 -10.673 1.00 0.00 C ATOM 0 HA PRO A 86 10.420 -5.571 -9.198 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.529 -4.760 -11.066 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.742 -3.878 -9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.837 -3.255 -12.302 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.133 -2.165 -11.124 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.830 -2.378 -11.436 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.115 -2.013 -9.878 1.00 0.00 H new ATOM 1249 N SER A 87 11.841 -6.165 -11.822 1.00 0.00 N ATOM 1250 CA SER A 87 12.140 -7.160 -12.846 1.00 0.00 C ATOM 1251 C SER A 87 12.858 -8.363 -12.241 1.00 0.00 C ATOM 1252 O SER A 87 12.377 -9.493 -12.324 1.00 0.00 O ATOM 1253 CB SER A 87 12.999 -6.542 -13.951 1.00 0.00 C ATOM 1254 OG SER A 87 13.103 -7.414 -15.063 1.00 0.00 O ATOM 0 H SER A 87 12.599 -5.508 -11.638 1.00 0.00 H new ATOM 0 HA SER A 87 11.197 -7.499 -13.275 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.564 -5.594 -14.267 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.994 -6.322 -13.563 1.00 0.00 H new ATOM 0 HG SER A 87 13.655 -6.996 -15.756 1.00 0.00 H new ATOM 1260 N SER A 88 14.012 -8.111 -11.632 1.00 0.00 N ATOM 1261 CA SER A 88 14.799 -9.173 -11.016 1.00 0.00 C ATOM 1262 C SER A 88 15.649 -8.626 -9.873 1.00 0.00 C ATOM 1263 O SER A 88 15.942 -7.432 -9.819 1.00 0.00 O ATOM 1264 CB SER A 88 15.697 -9.842 -12.059 1.00 0.00 C ATOM 1265 OG SER A 88 16.662 -8.933 -12.559 1.00 0.00 O ATOM 0 H SER A 88 14.423 -7.181 -11.552 1.00 0.00 H new ATOM 0 HA SER A 88 14.110 -9.914 -10.611 1.00 0.00 H new ATOM 0 HB2 SER A 88 16.199 -10.701 -11.614 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.087 -10.219 -12.880 1.00 0.00 H new ATOM 0 HG SER A 88 17.224 -9.385 -13.222 1.00 0.00 H new ATOM 1271 N GLY A 89 16.041 -9.509 -8.960 1.00 0.00 N ATOM 1272 CA GLY A 89 16.853 -9.097 -7.830 1.00 0.00 C ATOM 1273 C GLY A 89 17.408 -10.276 -7.055 1.00 0.00 C ATOM 1274 O GLY A 89 18.471 -10.147 -6.448 1.00 0.00 O ATOM 0 H GLY A 89 15.811 -10.502 -8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.678 -8.479 -8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.254 -8.477 -7.163 1.00 0.00 H new TER 1278 GLY A 89 HETATM 1279 ZN ZN A 201 -11.239 0.207 3.109 1.00 0.00 ZN HETATM 1280 ZN ZN A 401 4.698 6.662 -1.582 1.00 0.00 ZN