USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 816 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -171:sc= -0.0464 (180deg=-0.158) USER MOD Single : A 4 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0466) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0406 USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= -0.0317 (180deg=-0.303) USER MOD Single : A 10 LYS NZ :NH3+ -168:sc= -0.0589 (180deg=-0.269) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -130:sc= 0.0307 USER MOD Single : A 50 HIS :FLIP no HE2:sc= 0.45 F(o=-1.4!,f=0.45) USER MOD Single : A 52 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-7.1!) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.055 (180deg=-0.364) USER MOD Single : A 59 HIS : no HD1:sc= -0.338 X(o=-0.34,f=0.066) USER MOD Single : B 63 MET CE :methyl -155:sc= -0.0294 (180deg=-0.702) USER MOD Single : B 65 LYS NZ :NH3+ 147:sc= 0.0232 (180deg=-0.133) USER MOD Single : B 67 SER OG : rot -100:sc= 0.0254 USER MOD Single : B 70 LYS NZ :NH3+ -172:sc= -0.367 (180deg=-0.412) USER MOD Single : B 71 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00837) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 105 SER OG : rot 180:sc= -0.0232 USER MOD Single : B 111 HIS :FLIP no HE2:sc= 0.5 F(o=-1.7!,f=0.5) USER MOD Single : B 113 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-4.3!) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0.0089) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -26.784 5.481 0.462 1.00 0.00 N ATOM 2 CA ALA A 1 -27.252 4.788 1.686 1.00 0.00 C ATOM 3 C ALA A 1 -26.917 3.304 1.608 1.00 0.00 C ATOM 4 O ALA A 1 -25.821 2.900 1.998 1.00 0.00 O ATOM 5 CB ALA A 1 -28.748 4.986 1.887 1.00 0.00 C ATOM 0 H1 ALA A 1 -27.017 6.493 0.525 1.00 0.00 H new ATOM 0 H2 ALA A 1 -25.754 5.368 0.371 1.00 0.00 H new ATOM 0 H3 ALA A 1 -27.252 5.069 -0.371 1.00 0.00 H new ATOM 0 HA ALA A 1 -26.737 5.222 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -29.065 4.467 2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -28.964 6.050 1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -29.287 4.583 1.030 1.00 0.00 H new ATOM 13 N MET A 2 -27.872 2.512 1.083 1.00 0.00 N ATOM 14 CA MET A 2 -27.737 1.052 0.911 1.00 0.00 C ATOM 15 C MET A 2 -27.182 0.338 2.149 1.00 0.00 C ATOM 16 O MET A 2 -27.076 0.913 3.232 1.00 0.00 O ATOM 17 CB MET A 2 -26.926 0.686 -0.358 1.00 0.00 C ATOM 18 CG MET A 2 -25.838 1.677 -0.758 1.00 0.00 C ATOM 19 SD MET A 2 -25.141 1.330 -2.384 1.00 0.00 S ATOM 20 CE MET A 2 -24.341 -0.244 -2.091 1.00 0.00 C ATOM 0 H MET A 2 -28.771 2.873 0.762 1.00 0.00 H new ATOM 0 HA MET A 2 -28.754 0.684 0.776 1.00 0.00 H new ATOM 0 HB2 MET A 2 -26.464 -0.289 -0.203 1.00 0.00 H new ATOM 0 HB3 MET A 2 -27.620 0.581 -1.192 1.00 0.00 H new ATOM 0 HG2 MET A 2 -26.252 2.685 -0.753 1.00 0.00 H new ATOM 0 HG3 MET A 2 -25.042 1.655 -0.014 1.00 0.00 H new ATOM 0 HE1 MET A 2 -23.733 -0.510 -2.956 1.00 0.00 H new ATOM 0 HE2 MET A 2 -23.705 -0.170 -1.209 1.00 0.00 H new ATOM 0 HE3 MET A 2 -25.097 -1.012 -1.929 1.00 0.00 H new ATOM 30 N GLY A 3 -26.853 -0.933 1.983 1.00 0.00 N ATOM 31 CA GLY A 3 -26.332 -1.713 3.087 1.00 0.00 C ATOM 32 C GLY A 3 -24.975 -2.282 2.770 1.00 0.00 C ATOM 33 O GLY A 3 -24.784 -3.500 2.788 1.00 0.00 O ATOM 0 H GLY A 3 -26.937 -1.440 1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -26.266 -1.087 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -27.023 -2.524 3.318 1.00 0.00 H new ATOM 37 N LYS A 4 -24.039 -1.390 2.465 1.00 0.00 N ATOM 38 CA LYS A 4 -22.675 -1.768 2.114 1.00 0.00 C ATOM 39 C LYS A 4 -22.688 -2.721 0.921 1.00 0.00 C ATOM 40 O LYS A 4 -23.223 -2.383 -0.133 1.00 0.00 O ATOM 41 CB LYS A 4 -21.949 -2.368 3.325 1.00 0.00 C ATOM 42 CG LYS A 4 -21.873 -1.395 4.498 1.00 0.00 C ATOM 43 CD LYS A 4 -21.171 -1.990 5.709 1.00 0.00 C ATOM 44 CE LYS A 4 -21.253 -1.055 6.913 1.00 0.00 C ATOM 45 NZ LYS A 4 -20.577 0.250 6.669 1.00 0.00 N ATOM 0 H LYS A 4 -24.205 -0.384 2.454 1.00 0.00 H new ATOM 0 HA LYS A 4 -22.120 -0.877 1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -22.464 -3.275 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -20.940 -2.660 3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -21.346 -0.494 4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -22.882 -1.093 4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -21.624 -2.949 5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.126 -2.184 5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -22.300 -0.878 7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.799 -1.540 7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.587 0.815 7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.593 0.082 6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.078 0.766 5.918 1.00 0.00 H new ATOM 59 N CYS A 5 -22.121 -3.908 1.068 1.00 0.00 N ATOM 60 CA CYS A 5 -22.110 -4.859 -0.035 1.00 0.00 C ATOM 61 C CYS A 5 -22.424 -6.270 0.428 1.00 0.00 C ATOM 62 O CYS A 5 -21.950 -6.720 1.470 1.00 0.00 O ATOM 63 CB CYS A 5 -20.762 -4.842 -0.759 1.00 0.00 C ATOM 64 SG CYS A 5 -20.501 -3.379 -1.814 1.00 0.00 S ATOM 0 H CYS A 5 -21.670 -4.233 1.923 1.00 0.00 H new ATOM 0 HA CYS A 5 -22.893 -4.547 -0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -19.964 -4.889 -0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -20.681 -5.739 -1.373 1.00 0.00 H new ATOM 69 N SER A 6 -23.213 -6.966 -0.375 1.00 0.00 N ATOM 70 CA SER A 6 -23.589 -8.339 -0.094 1.00 0.00 C ATOM 71 C SER A 6 -22.842 -9.262 -1.051 1.00 0.00 C ATOM 72 O SER A 6 -21.879 -8.835 -1.689 1.00 0.00 O ATOM 73 CB SER A 6 -25.099 -8.500 -0.249 1.00 0.00 C ATOM 74 OG SER A 6 -25.543 -7.928 -1.470 1.00 0.00 O ATOM 0 H SER A 6 -23.609 -6.594 -1.238 1.00 0.00 H new ATOM 0 HA SER A 6 -23.322 -8.600 0.930 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.362 -9.558 -0.221 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.608 -8.023 0.588 1.00 0.00 H new ATOM 0 HG SER A 6 -26.513 -8.043 -1.551 1.00 0.00 H new ATOM 80 N VAL A 7 -23.274 -10.511 -1.172 1.00 0.00 N ATOM 81 CA VAL A 7 -22.606 -11.436 -2.076 1.00 0.00 C ATOM 82 C VAL A 7 -23.030 -11.173 -3.525 1.00 0.00 C ATOM 83 O VAL A 7 -22.331 -11.557 -4.463 1.00 0.00 O ATOM 84 CB VAL A 7 -22.871 -12.912 -1.685 1.00 0.00 C ATOM 85 CG1 VAL A 7 -24.317 -13.312 -1.966 1.00 0.00 C ATOM 86 CG2 VAL A 7 -21.897 -13.851 -2.386 1.00 0.00 C ATOM 0 H VAL A 7 -24.069 -10.901 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 7 -21.533 -11.264 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 7 -22.707 -13.001 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -24.469 -14.353 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -24.989 -12.676 -1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -24.527 -13.193 -3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -22.108 -14.879 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -22.009 -13.752 -3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -20.876 -13.594 -2.102 1.00 0.00 H new ATOM 96 N LEU A 8 -24.162 -10.496 -3.707 1.00 0.00 N ATOM 97 CA LEU A 8 -24.637 -10.171 -5.047 1.00 0.00 C ATOM 98 C LEU A 8 -24.222 -8.756 -5.429 1.00 0.00 C ATOM 99 O LEU A 8 -23.881 -8.494 -6.580 1.00 0.00 O ATOM 100 CB LEU A 8 -26.158 -10.350 -5.191 1.00 0.00 C ATOM 101 CG LEU A 8 -27.039 -9.585 -4.197 1.00 0.00 C ATOM 102 CD1 LEU A 8 -28.423 -9.367 -4.784 1.00 0.00 C ATOM 103 CD2 LEU A 8 -27.158 -10.347 -2.887 1.00 0.00 C ATOM 0 H LEU A 8 -24.761 -10.165 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 8 -24.170 -10.876 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -26.442 -10.048 -6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -26.386 -11.412 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 8 -26.572 -8.620 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -29.040 -8.823 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -28.341 -8.790 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -28.883 -10.331 -5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -27.787 -9.786 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -27.604 -11.324 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -26.168 -10.478 -2.451 1.00 0.00 H new ATOM 115 N LYS A 9 -24.211 -7.848 -4.450 1.00 0.00 N ATOM 116 CA LYS A 9 -23.793 -6.473 -4.683 1.00 0.00 C ATOM 117 C LYS A 9 -22.268 -6.358 -4.593 1.00 0.00 C ATOM 118 O LYS A 9 -21.731 -5.280 -4.340 1.00 0.00 O ATOM 119 CB LYS A 9 -24.433 -5.522 -3.664 1.00 0.00 C ATOM 120 CG LYS A 9 -25.803 -4.977 -4.064 1.00 0.00 C ATOM 121 CD LYS A 9 -26.954 -5.869 -3.621 1.00 0.00 C ATOM 122 CE LYS A 9 -28.305 -5.257 -3.992 1.00 0.00 C ATOM 123 NZ LYS A 9 -28.517 -3.916 -3.369 1.00 0.00 N ATOM 0 H LYS A 9 -24.488 -8.046 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 9 -24.123 -6.191 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -24.530 -6.045 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -23.758 -4.682 -3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -25.933 -3.985 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -25.838 -4.860 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -26.857 -6.850 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -26.905 -6.021 -2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -28.373 -5.165 -5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -29.103 -5.930 -3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -29.519 -3.650 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -28.248 -3.953 -2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -27.931 -3.209 -3.858 1.00 0.00 H new ATOM 137 N LYS A 10 -21.578 -7.478 -4.803 1.00 0.00 N ATOM 138 CA LYS A 10 -20.117 -7.510 -4.752 1.00 0.00 C ATOM 139 C LYS A 10 -19.527 -6.886 -6.021 1.00 0.00 C ATOM 140 O LYS A 10 -18.325 -6.645 -6.118 1.00 0.00 O ATOM 141 CB LYS A 10 -19.630 -8.961 -4.569 1.00 0.00 C ATOM 142 CG LYS A 10 -20.027 -9.899 -5.702 1.00 0.00 C ATOM 143 CD LYS A 10 -18.995 -9.898 -6.818 1.00 0.00 C ATOM 144 CE LYS A 10 -19.404 -10.813 -7.959 1.00 0.00 C ATOM 145 NZ LYS A 10 -19.661 -12.208 -7.500 1.00 0.00 N ATOM 0 H LYS A 10 -22.009 -8.379 -5.011 1.00 0.00 H new ATOM 0 HA LYS A 10 -19.775 -6.923 -3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -18.544 -8.959 -4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -20.029 -9.351 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -20.142 -10.911 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -20.996 -9.598 -6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.865 -8.883 -7.194 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.031 -10.217 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -20.302 -10.418 -8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.619 -10.820 -8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.736 -12.837 -8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.877 -12.524 -6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.549 -12.238 -6.960 1.00 0.00 H new ATOM 159 N VAL A 11 -20.397 -6.623 -6.990 1.00 0.00 N ATOM 160 CA VAL A 11 -19.994 -6.024 -8.258 1.00 0.00 C ATOM 161 C VAL A 11 -19.517 -4.581 -8.051 1.00 0.00 C ATOM 162 O VAL A 11 -18.781 -4.034 -8.873 1.00 0.00 O ATOM 163 CB VAL A 11 -21.173 -6.023 -9.267 1.00 0.00 C ATOM 164 CG1 VAL A 11 -20.680 -5.788 -10.687 1.00 0.00 C ATOM 165 CG2 VAL A 11 -21.964 -7.321 -9.197 1.00 0.00 C ATOM 0 H VAL A 11 -21.396 -6.817 -6.920 1.00 0.00 H new ATOM 0 HA VAL A 11 -19.176 -6.623 -8.657 1.00 0.00 H new ATOM 0 HB VAL A 11 -21.835 -5.203 -8.989 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -21.528 -5.793 -11.372 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.174 -4.824 -10.742 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.984 -6.579 -10.966 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -22.782 -7.288 -9.916 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -21.309 -8.160 -9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -22.368 -7.447 -8.193 1.00 0.00 H new ATOM 175 N ALA A 12 -19.957 -3.966 -6.957 1.00 0.00 N ATOM 176 CA ALA A 12 -19.597 -2.584 -6.664 1.00 0.00 C ATOM 177 C ALA A 12 -18.220 -2.435 -6.014 1.00 0.00 C ATOM 178 O ALA A 12 -17.723 -1.318 -5.885 1.00 0.00 O ATOM 179 CB ALA A 12 -20.653 -1.937 -5.781 1.00 0.00 C ATOM 0 H ALA A 12 -20.562 -4.402 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 12 -19.548 -2.075 -7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -20.370 -0.906 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -21.615 -1.952 -6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.732 -2.489 -4.845 1.00 0.00 H new ATOM 185 N CYS A 13 -17.596 -3.531 -5.596 1.00 0.00 N ATOM 186 CA CYS A 13 -16.282 -3.423 -4.965 1.00 0.00 C ATOM 187 C CYS A 13 -15.162 -3.851 -5.891 1.00 0.00 C ATOM 188 O CYS A 13 -14.156 -3.161 -6.006 1.00 0.00 O ATOM 189 CB CYS A 13 -16.195 -4.220 -3.657 1.00 0.00 C ATOM 190 SG CYS A 13 -16.815 -5.932 -3.741 1.00 0.00 S ATOM 0 H CYS A 13 -17.964 -4.479 -5.678 1.00 0.00 H new ATOM 0 HA CYS A 13 -16.158 -2.365 -4.735 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -15.154 -4.244 -3.335 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -16.754 -3.686 -2.888 1.00 0.00 H new ATOM 195 N ALA A 14 -15.325 -4.995 -6.532 1.00 0.00 N ATOM 196 CA ALA A 14 -14.297 -5.518 -7.420 1.00 0.00 C ATOM 197 C ALA A 14 -14.058 -4.624 -8.626 1.00 0.00 C ATOM 198 O ALA A 14 -12.921 -4.456 -9.058 1.00 0.00 O ATOM 199 CB ALA A 14 -14.659 -6.918 -7.876 1.00 0.00 C ATOM 0 H ALA A 14 -16.157 -5.580 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.369 -5.546 -6.850 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.882 -7.297 -8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.746 -7.572 -7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.610 -6.893 -8.408 1.00 0.00 H new ATOM 205 N ALA A 15 -15.126 -4.063 -9.174 1.00 0.00 N ATOM 206 CA ALA A 15 -15.014 -3.199 -10.344 1.00 0.00 C ATOM 207 C ALA A 15 -14.527 -1.794 -9.982 1.00 0.00 C ATOM 208 O ALA A 15 -14.168 -1.015 -10.863 1.00 0.00 O ATOM 209 CB ALA A 15 -16.347 -3.126 -11.075 1.00 0.00 C ATOM 0 H ALA A 15 -16.078 -4.189 -8.830 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.266 -3.640 -11.003 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.249 -2.478 -11.946 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.641 -4.125 -11.397 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.107 -2.723 -10.406 1.00 0.00 H new ATOM 215 N ALA A 16 -14.523 -1.459 -8.696 1.00 0.00 N ATOM 216 CA ALA A 16 -14.083 -0.133 -8.267 1.00 0.00 C ATOM 217 C ALA A 16 -12.664 -0.151 -7.705 1.00 0.00 C ATOM 218 O ALA A 16 -11.887 0.779 -7.932 1.00 0.00 O ATOM 219 CB ALA A 16 -15.044 0.444 -7.237 1.00 0.00 C ATOM 0 H ALA A 16 -14.815 -2.078 -7.940 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.080 0.503 -9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.699 1.431 -6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.039 0.527 -7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.083 -0.213 -6.368 1.00 0.00 H new ATOM 225 N ILE A 17 -12.333 -1.201 -6.965 1.00 0.00 N ATOM 226 CA ILE A 17 -11.012 -1.317 -6.364 1.00 0.00 C ATOM 227 C ILE A 17 -9.963 -1.643 -7.413 1.00 0.00 C ATOM 228 O ILE A 17 -8.817 -1.200 -7.334 1.00 0.00 O ATOM 229 CB ILE A 17 -11.008 -2.385 -5.243 1.00 0.00 C ATOM 230 CG1 ILE A 17 -9.749 -2.247 -4.385 1.00 0.00 C ATOM 231 CG2 ILE A 17 -11.147 -3.806 -5.775 1.00 0.00 C ATOM 232 CD1 ILE A 17 -9.688 -0.948 -3.613 1.00 0.00 C ATOM 0 H ILE A 17 -12.959 -1.982 -6.767 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.762 -0.353 -5.921 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.887 -2.201 -4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.703 -3.080 -3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.871 -2.321 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.138 -4.509 -4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.087 -3.901 -6.319 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -10.316 -4.026 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.770 -0.916 -3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.703 -0.110 -4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.547 -0.880 -2.946 1.00 0.00 H new ATOM 244 N ALA A 18 -10.376 -2.431 -8.388 1.00 0.00 N ATOM 245 CA ALA A 18 -9.501 -2.856 -9.482 1.00 0.00 C ATOM 246 C ALA A 18 -8.920 -1.681 -10.266 1.00 0.00 C ATOM 247 O ALA A 18 -7.899 -1.822 -10.937 1.00 0.00 O ATOM 248 CB ALA A 18 -10.258 -3.757 -10.437 1.00 0.00 C ATOM 0 H ALA A 18 -11.326 -2.798 -8.450 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.671 -3.394 -9.024 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.597 -4.067 -11.246 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.613 -4.638 -9.902 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.109 -3.216 -10.851 1.00 0.00 H new ATOM 254 N GLY A 19 -9.584 -0.539 -10.197 1.00 0.00 N ATOM 255 CA GLY A 19 -9.125 0.627 -10.919 1.00 0.00 C ATOM 256 C GLY A 19 -7.966 1.305 -10.235 1.00 0.00 C ATOM 257 O GLY A 19 -7.121 1.923 -10.889 1.00 0.00 O ATOM 0 H GLY A 19 -10.435 -0.399 -9.652 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.829 0.334 -11.926 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.948 1.335 -11.022 1.00 0.00 H new ATOM 261 N ALA A 20 -7.922 1.186 -8.915 1.00 0.00 N ATOM 262 CA ALA A 20 -6.864 1.792 -8.129 1.00 0.00 C ATOM 263 C ALA A 20 -5.599 0.945 -8.165 1.00 0.00 C ATOM 264 O ALA A 20 -4.514 1.425 -7.843 1.00 0.00 O ATOM 265 CB ALA A 20 -7.328 2.000 -6.696 1.00 0.00 C ATOM 0 H ALA A 20 -8.612 0.672 -8.367 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.628 2.762 -8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.525 2.455 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.199 2.655 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.593 1.039 -6.256 1.00 0.00 H new ATOM 271 N VAL A 21 -5.741 -0.314 -8.562 1.00 0.00 N ATOM 272 CA VAL A 21 -4.618 -1.219 -8.644 1.00 0.00 C ATOM 273 C VAL A 21 -3.600 -0.728 -9.679 1.00 0.00 C ATOM 274 O VAL A 21 -2.396 -0.699 -9.418 1.00 0.00 O ATOM 275 CB VAL A 21 -5.105 -2.634 -9.019 1.00 0.00 C ATOM 276 CG1 VAL A 21 -3.943 -3.599 -9.088 1.00 0.00 C ATOM 277 CG2 VAL A 21 -6.149 -3.128 -8.028 1.00 0.00 C ATOM 0 H VAL A 21 -6.634 -0.727 -8.833 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.133 -1.253 -7.669 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.567 -2.581 -10.005 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.309 -4.591 -9.354 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.233 -3.260 -9.842 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.448 -3.643 -8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.477 -4.128 -8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.715 -3.160 -7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.003 -2.451 -8.032 1.00 0.00 H new ATOM 287 N ALA A 22 -4.097 -0.337 -10.853 1.00 0.00 N ATOM 288 CA ALA A 22 -3.242 0.147 -11.933 1.00 0.00 C ATOM 289 C ALA A 22 -2.606 1.498 -11.605 1.00 0.00 C ATOM 290 O ALA A 22 -1.570 1.854 -12.163 1.00 0.00 O ATOM 291 CB ALA A 22 -4.039 0.244 -13.221 1.00 0.00 C ATOM 0 H ALA A 22 -5.092 -0.347 -11.079 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.432 -0.572 -12.056 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.394 0.606 -14.022 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.427 -0.740 -13.484 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.870 0.936 -13.084 1.00 0.00 H new ATOM 297 N ALA A 23 -3.238 2.251 -10.708 1.00 0.00 N ATOM 298 CA ALA A 23 -2.737 3.563 -10.310 1.00 0.00 C ATOM 299 C ALA A 23 -1.714 3.438 -9.191 1.00 0.00 C ATOM 300 O ALA A 23 -0.873 4.311 -8.988 1.00 0.00 O ATOM 301 CB ALA A 23 -3.885 4.456 -9.865 1.00 0.00 C ATOM 0 H ALA A 23 -4.102 1.973 -10.242 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.250 4.014 -11.175 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.495 5.431 -9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.590 4.580 -10.687 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.394 3.998 -9.017 1.00 0.00 H new ATOM 307 N CYS A 24 -1.804 2.347 -8.458 1.00 0.00 N ATOM 308 CA CYS A 24 -0.902 2.085 -7.354 1.00 0.00 C ATOM 309 C CYS A 24 0.374 1.400 -7.836 1.00 0.00 C ATOM 310 O CYS A 24 1.434 1.536 -7.223 1.00 0.00 O ATOM 311 CB CYS A 24 -1.610 1.223 -6.314 1.00 0.00 C ATOM 312 SG CYS A 24 -0.476 0.263 -5.279 1.00 0.00 S ATOM 0 H CYS A 24 -2.502 1.619 -8.610 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.616 3.035 -6.903 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.218 1.864 -5.675 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.291 0.541 -6.822 1.00 0.00 H new ATOM 317 N GLY A 25 0.270 0.656 -8.929 1.00 0.00 N ATOM 318 CA GLY A 25 1.429 -0.047 -9.444 1.00 0.00 C ATOM 319 C GLY A 25 1.609 -1.370 -8.736 1.00 0.00 C ATOM 320 O GLY A 25 2.724 -1.772 -8.402 1.00 0.00 O ATOM 0 H GLY A 25 -0.588 0.527 -9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.313 -0.215 -10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.321 0.566 -9.312 1.00 0.00 H new ATOM 324 N GLY A 26 0.489 -2.028 -8.484 1.00 0.00 N ATOM 325 CA GLY A 26 0.490 -3.296 -7.789 1.00 0.00 C ATOM 326 C GLY A 26 -0.718 -3.397 -6.889 1.00 0.00 C ATOM 327 O GLY A 26 -1.507 -2.454 -6.813 1.00 0.00 O ATOM 0 H GLY A 26 -0.437 -1.698 -8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.486 -4.114 -8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.401 -3.395 -7.199 1.00 0.00 H new ATOM 331 N ILE A 27 -0.888 -4.515 -6.207 1.00 0.00 N ATOM 332 CA ILE A 27 -2.037 -4.668 -5.332 1.00 0.00 C ATOM 333 C ILE A 27 -1.637 -5.136 -3.934 1.00 0.00 C ATOM 334 O ILE A 27 -1.046 -6.198 -3.761 1.00 0.00 O ATOM 335 CB ILE A 27 -3.087 -5.634 -5.931 1.00 0.00 C ATOM 336 CG1 ILE A 27 -4.150 -5.978 -4.892 1.00 0.00 C ATOM 337 CG2 ILE A 27 -2.431 -6.896 -6.465 1.00 0.00 C ATOM 338 CD1 ILE A 27 -5.055 -4.818 -4.549 1.00 0.00 C ATOM 0 H ILE A 27 -0.259 -5.317 -6.240 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.486 -3.679 -5.243 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.570 -5.130 -6.768 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.756 -6.804 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.659 -6.327 -3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.194 -7.555 -6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.716 -6.633 -7.245 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.911 -7.407 -5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.786 -5.134 -3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.459 -3.998 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.574 -4.483 -5.447 1.00 0.00 H new ATOM 350 N ASP A 28 -1.998 -4.334 -2.942 1.00 0.00 N ATOM 351 CA ASP A 28 -1.725 -4.646 -1.547 1.00 0.00 C ATOM 352 C ASP A 28 -2.919 -4.244 -0.708 1.00 0.00 C ATOM 353 O ASP A 28 -3.706 -5.093 -0.294 1.00 0.00 O ATOM 354 CB ASP A 28 -0.470 -3.924 -1.047 1.00 0.00 C ATOM 355 CG ASP A 28 0.709 -4.859 -0.910 1.00 0.00 C ATOM 356 OD1 ASP A 28 0.598 -6.023 -1.332 1.00 0.00 O ATOM 357 OD2 ASP A 28 1.752 -4.424 -0.391 1.00 0.00 O ATOM 0 H ASP A 28 -2.488 -3.450 -3.082 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.548 -5.718 -1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.216 -3.120 -1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.679 -3.461 -0.082 1.00 0.00 H new ATOM 362 N LEU A 29 -3.046 -2.934 -0.487 1.00 0.00 N ATOM 363 CA LEU A 29 -4.146 -2.361 0.289 1.00 0.00 C ATOM 364 C LEU A 29 -3.932 -0.861 0.539 1.00 0.00 C ATOM 365 O LEU A 29 -4.841 -0.075 0.305 1.00 0.00 O ATOM 366 CB LEU A 29 -4.337 -3.103 1.624 1.00 0.00 C ATOM 367 CG LEU A 29 -5.418 -2.546 2.556 1.00 0.00 C ATOM 368 CD1 LEU A 29 -6.745 -2.379 1.837 1.00 0.00 C ATOM 369 CD2 LEU A 29 -5.597 -3.463 3.748 1.00 0.00 C ATOM 0 H LEU A 29 -2.388 -2.240 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.054 -2.483 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.575 -4.144 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.387 -3.098 2.159 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.090 -1.563 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.487 -1.982 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.622 -1.689 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.080 -3.346 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.367 -3.059 4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.896 -4.453 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.657 -3.538 4.294 1.00 0.00 H new ATOM 381 N PRO A 30 -2.736 -0.435 1.024 1.00 0.00 N ATOM 382 CA PRO A 30 -2.442 0.982 1.312 1.00 0.00 C ATOM 383 C PRO A 30 -2.821 1.943 0.189 1.00 0.00 C ATOM 384 O PRO A 30 -3.663 2.823 0.361 1.00 0.00 O ATOM 385 CB PRO A 30 -0.916 1.010 1.517 1.00 0.00 C ATOM 386 CG PRO A 30 -0.425 -0.350 1.139 1.00 0.00 C ATOM 387 CD PRO A 30 -1.579 -1.281 1.357 1.00 0.00 C ATOM 0 HA PRO A 30 -3.026 1.318 2.169 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.453 1.778 0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.665 1.242 2.552 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.097 -0.372 0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.431 -0.640 1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.519 -2.159 0.714 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.622 -1.641 2.385 1.00 0.00 H new ATOM 395 N CYS A 31 -2.164 1.777 -0.942 1.00 0.00 N ATOM 396 CA CYS A 31 -2.379 2.629 -2.102 1.00 0.00 C ATOM 397 C CYS A 31 -3.770 2.452 -2.704 1.00 0.00 C ATOM 398 O CYS A 31 -4.381 3.409 -3.175 1.00 0.00 O ATOM 399 CB CYS A 31 -1.328 2.293 -3.151 1.00 0.00 C ATOM 400 SG CYS A 31 -1.145 0.492 -3.380 1.00 0.00 S ATOM 0 H CYS A 31 -1.465 1.048 -1.086 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.296 3.667 -1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.603 2.753 -4.100 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.370 2.720 -2.855 1.00 0.00 H new ATOM 405 N VAL A 32 -4.251 1.216 -2.713 1.00 0.00 N ATOM 406 CA VAL A 32 -5.542 0.889 -3.280 1.00 0.00 C ATOM 407 C VAL A 32 -6.693 1.433 -2.423 1.00 0.00 C ATOM 408 O VAL A 32 -7.823 1.557 -2.891 1.00 0.00 O ATOM 409 CB VAL A 32 -5.672 -0.641 -3.418 1.00 0.00 C ATOM 410 CG1 VAL A 32 -6.429 -1.005 -4.675 1.00 0.00 C ATOM 411 CG2 VAL A 32 -4.305 -1.313 -3.418 1.00 0.00 C ATOM 0 H VAL A 32 -3.753 0.415 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.608 1.359 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.231 -1.002 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.508 -2.089 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.428 -0.570 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.898 -0.618 -5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.430 -2.391 -3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.715 -0.938 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.791 -1.091 -2.483 1.00 0.00 H new ATOM 421 N LEU A 33 -6.389 1.758 -1.168 1.00 0.00 N ATOM 422 CA LEU A 33 -7.379 2.290 -0.229 1.00 0.00 C ATOM 423 C LEU A 33 -7.903 3.660 -0.673 1.00 0.00 C ATOM 424 O LEU A 33 -8.979 4.090 -0.251 1.00 0.00 O ATOM 425 CB LEU A 33 -6.746 2.409 1.163 1.00 0.00 C ATOM 426 CG LEU A 33 -7.654 2.983 2.253 1.00 0.00 C ATOM 427 CD1 LEU A 33 -8.815 2.042 2.534 1.00 0.00 C ATOM 428 CD2 LEU A 33 -6.859 3.250 3.519 1.00 0.00 C ATOM 0 H LEU A 33 -5.454 1.661 -0.773 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.224 1.602 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.412 1.420 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.858 3.036 1.087 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.063 3.929 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.449 2.468 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.400 1.904 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.430 1.078 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.519 3.658 4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.421 2.318 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.065 3.966 3.306 1.00 0.00 H new ATOM 440 N ALA A 34 -7.120 4.340 -1.510 1.00 0.00 N ATOM 441 CA ALA A 34 -7.462 5.674 -2.012 1.00 0.00 C ATOM 442 C ALA A 34 -8.858 5.744 -2.632 1.00 0.00 C ATOM 443 O ALA A 34 -9.513 6.780 -2.570 1.00 0.00 O ATOM 444 CB ALA A 34 -6.422 6.134 -3.023 1.00 0.00 C ATOM 0 H ALA A 34 -6.231 3.983 -1.860 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.467 6.340 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.685 7.126 -3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.443 6.172 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.392 5.434 -3.858 1.00 0.00 H new ATOM 450 N ALA A 35 -9.310 4.655 -3.233 1.00 0.00 N ATOM 451 CA ALA A 35 -10.629 4.628 -3.857 1.00 0.00 C ATOM 452 C ALA A 35 -11.493 3.538 -3.243 1.00 0.00 C ATOM 453 O ALA A 35 -12.166 2.790 -3.954 1.00 0.00 O ATOM 454 CB ALA A 35 -10.497 4.420 -5.357 1.00 0.00 C ATOM 0 H ALA A 35 -8.789 3.781 -3.303 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.114 5.588 -3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.488 4.402 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.916 5.235 -5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.992 3.473 -5.550 1.00 0.00 H new ATOM 460 N LEU A 36 -11.456 3.431 -1.922 1.00 0.00 N ATOM 461 CA LEU A 36 -12.223 2.399 -1.236 1.00 0.00 C ATOM 462 C LEU A 36 -12.988 2.938 -0.020 1.00 0.00 C ATOM 463 O LEU A 36 -13.763 2.205 0.595 1.00 0.00 O ATOM 464 CB LEU A 36 -11.277 1.274 -0.804 1.00 0.00 C ATOM 465 CG LEU A 36 -11.936 -0.078 -0.531 1.00 0.00 C ATOM 466 CD1 LEU A 36 -12.613 -0.603 -1.786 1.00 0.00 C ATOM 467 CD2 LEU A 36 -10.903 -1.071 -0.027 1.00 0.00 C ATOM 0 H LEU A 36 -10.911 4.038 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.970 2.023 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.523 1.140 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.753 1.591 0.098 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.697 0.053 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.077 -1.566 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.377 0.104 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.872 -0.724 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.384 -2.030 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.124 -1.199 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.459 -0.697 0.896 1.00 0.00 H new ATOM 479 N LYS A 37 -12.776 4.202 0.340 1.00 0.00 N ATOM 480 CA LYS A 37 -13.463 4.775 1.502 1.00 0.00 C ATOM 481 C LYS A 37 -14.848 5.318 1.139 1.00 0.00 C ATOM 482 O LYS A 37 -15.044 6.535 1.068 1.00 0.00 O ATOM 483 CB LYS A 37 -12.626 5.890 2.145 1.00 0.00 C ATOM 484 CG LYS A 37 -13.156 6.333 3.504 1.00 0.00 C ATOM 485 CD LYS A 37 -12.505 7.622 3.973 1.00 0.00 C ATOM 486 CE LYS A 37 -13.133 8.119 5.271 1.00 0.00 C ATOM 487 NZ LYS A 37 -12.609 9.451 5.678 1.00 0.00 N ATOM 0 H LYS A 37 -12.146 4.842 -0.144 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.591 3.964 2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.598 5.544 2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.601 6.749 1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.235 6.472 3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.976 5.547 4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.437 7.460 4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.607 8.385 3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.215 8.178 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.941 7.397 6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.065 9.747 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.581 9.391 5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.815 10.147 4.934 1.00 0.00 H new ATOM 501 N ALA A 38 -15.800 4.402 0.927 1.00 0.00 N ATOM 502 CA ALA A 38 -17.187 4.749 0.590 1.00 0.00 C ATOM 503 C ALA A 38 -17.973 3.501 0.214 1.00 0.00 C ATOM 504 O ALA A 38 -17.386 2.438 0.003 1.00 0.00 O ATOM 505 CB ALA A 38 -17.243 5.741 -0.567 1.00 0.00 C ATOM 0 H ALA A 38 -15.631 3.398 0.984 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.631 5.210 1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -18.283 5.978 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.715 6.653 -0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.772 5.302 -1.446 1.00 0.00 H new ATOM 511 N ALA A 39 -19.295 3.642 0.089 1.00 0.00 N ATOM 512 CA ALA A 39 -20.140 2.520 -0.310 1.00 0.00 C ATOM 513 C ALA A 39 -19.805 2.156 -1.747 1.00 0.00 C ATOM 514 O ALA A 39 -19.697 0.984 -2.103 1.00 0.00 O ATOM 515 CB ALA A 39 -21.618 2.860 -0.172 1.00 0.00 C ATOM 0 H ALA A 39 -19.797 4.514 0.257 1.00 0.00 H new ATOM 0 HA ALA A 39 -19.947 1.671 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -22.219 2.003 -0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -21.839 3.107 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -21.856 3.714 -0.806 1.00 0.00 H new ATOM 521 N GLU A 40 -19.577 3.191 -2.548 1.00 0.00 N ATOM 522 CA GLU A 40 -19.179 3.021 -3.933 1.00 0.00 C ATOM 523 C GLU A 40 -17.696 2.670 -3.955 1.00 0.00 C ATOM 524 O GLU A 40 -16.822 3.540 -3.969 1.00 0.00 O ATOM 525 CB GLU A 40 -19.480 4.295 -4.724 1.00 0.00 C ATOM 526 CG GLU A 40 -19.326 5.569 -3.907 1.00 0.00 C ATOM 527 CD GLU A 40 -19.973 6.758 -4.567 1.00 0.00 C ATOM 528 OE1 GLU A 40 -19.595 7.081 -5.705 1.00 0.00 O ATOM 529 OE2 GLU A 40 -20.859 7.374 -3.943 1.00 0.00 O ATOM 0 H GLU A 40 -19.663 4.164 -2.254 1.00 0.00 H new ATOM 0 HA GLU A 40 -19.741 2.216 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -18.815 4.343 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -20.498 4.241 -5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -19.766 5.420 -2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -18.266 5.774 -3.755 1.00 0.00 H new ATOM 536 N GLY A 41 -17.445 1.379 -3.869 1.00 0.00 N ATOM 537 CA GLY A 41 -16.102 0.850 -3.791 1.00 0.00 C ATOM 538 C GLY A 41 -16.093 -0.252 -2.762 1.00 0.00 C ATOM 539 O GLY A 41 -15.497 -1.306 -2.958 1.00 0.00 O ATOM 0 H GLY A 41 -18.173 0.665 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.786 0.467 -4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.399 1.635 -3.514 1.00 0.00 H new ATOM 543 N CYS A 42 -16.834 0.002 -1.681 1.00 0.00 N ATOM 544 CA CYS A 42 -17.029 -0.945 -0.586 1.00 0.00 C ATOM 545 C CYS A 42 -15.743 -1.461 0.041 1.00 0.00 C ATOM 546 O CYS A 42 -15.194 -2.483 -0.383 1.00 0.00 O ATOM 547 CB CYS A 42 -17.864 -2.128 -1.056 1.00 0.00 C ATOM 548 SG CYS A 42 -19.615 -2.036 -0.583 1.00 0.00 S ATOM 0 H CYS A 42 -17.322 0.887 -1.542 1.00 0.00 H new ATOM 0 HA CYS A 42 -17.547 -0.382 0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -17.795 -2.199 -2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -17.437 -3.045 -0.649 1.00 0.00 H new ATOM 553 N ALA A 43 -15.308 -0.794 1.102 1.00 0.00 N ATOM 554 CA ALA A 43 -14.128 -1.225 1.831 1.00 0.00 C ATOM 555 C ALA A 43 -14.439 -2.511 2.586 1.00 0.00 C ATOM 556 O ALA A 43 -13.549 -3.306 2.870 1.00 0.00 O ATOM 557 CB ALA A 43 -13.665 -0.142 2.791 1.00 0.00 C ATOM 0 H ALA A 43 -15.754 0.044 1.474 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.321 -1.412 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.780 -0.485 3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.423 0.761 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.460 0.076 3.505 1.00 0.00 H new ATOM 563 N SER A 44 -15.722 -2.709 2.885 1.00 0.00 N ATOM 564 CA SER A 44 -16.190 -3.897 3.594 1.00 0.00 C ATOM 565 C SER A 44 -16.235 -5.128 2.681 1.00 0.00 C ATOM 566 O SER A 44 -16.809 -6.157 3.033 1.00 0.00 O ATOM 567 CB SER A 44 -17.572 -3.620 4.182 1.00 0.00 C ATOM 568 OG SER A 44 -18.424 -3.020 3.217 1.00 0.00 O ATOM 0 H SER A 44 -16.464 -2.052 2.643 1.00 0.00 H new ATOM 0 HA SER A 44 -15.484 -4.118 4.394 1.00 0.00 H new ATOM 0 HB2 SER A 44 -18.015 -4.552 4.534 1.00 0.00 H new ATOM 0 HB3 SER A 44 -17.478 -2.964 5.048 1.00 0.00 H new ATOM 0 HG SER A 44 -18.844 -2.223 3.602 1.00 0.00 H new ATOM 574 N CYS A 45 -15.615 -5.014 1.515 1.00 0.00 N ATOM 575 CA CYS A 45 -15.557 -6.107 0.553 1.00 0.00 C ATOM 576 C CYS A 45 -14.117 -6.585 0.425 1.00 0.00 C ATOM 577 O CYS A 45 -13.810 -7.756 0.645 1.00 0.00 O ATOM 578 CB CYS A 45 -16.095 -5.640 -0.804 1.00 0.00 C ATOM 579 SG CYS A 45 -15.947 -6.857 -2.153 1.00 0.00 S ATOM 0 H CYS A 45 -15.140 -4.165 1.209 1.00 0.00 H new ATOM 0 HA CYS A 45 -16.177 -6.934 0.898 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -17.146 -5.374 -0.689 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -15.566 -4.732 -1.094 1.00 0.00 H new ATOM 584 N PHE A 46 -13.236 -5.654 0.086 1.00 0.00 N ATOM 585 CA PHE A 46 -11.817 -5.942 -0.061 1.00 0.00 C ATOM 586 C PHE A 46 -11.141 -6.056 1.310 1.00 0.00 C ATOM 587 O PHE A 46 -10.492 -7.054 1.607 1.00 0.00 O ATOM 588 CB PHE A 46 -11.172 -4.826 -0.895 1.00 0.00 C ATOM 589 CG PHE A 46 -9.683 -4.937 -1.105 1.00 0.00 C ATOM 590 CD1 PHE A 46 -8.976 -6.084 -0.780 1.00 0.00 C ATOM 591 CD2 PHE A 46 -8.993 -3.870 -1.646 1.00 0.00 C ATOM 592 CE1 PHE A 46 -7.612 -6.156 -0.983 1.00 0.00 C ATOM 593 CE2 PHE A 46 -7.635 -3.934 -1.852 1.00 0.00 C ATOM 594 CZ PHE A 46 -6.941 -5.079 -1.520 1.00 0.00 C ATOM 0 H PHE A 46 -13.484 -4.681 -0.094 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.689 -6.898 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.656 -4.803 -1.871 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.381 -3.871 -0.412 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.498 -6.932 -0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.529 -2.971 -1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.072 -7.054 -0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.112 -3.088 -2.273 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.874 -5.131 -1.681 1.00 0.00 H new ATOM 604 N CYS A 47 -11.288 -5.025 2.136 1.00 0.00 N ATOM 605 CA CYS A 47 -10.670 -4.997 3.468 1.00 0.00 C ATOM 606 C CYS A 47 -11.274 -6.005 4.441 1.00 0.00 C ATOM 607 O CYS A 47 -10.934 -5.998 5.622 1.00 0.00 O ATOM 608 CB CYS A 47 -10.813 -3.611 4.077 1.00 0.00 C ATOM 609 SG CYS A 47 -10.204 -2.261 3.030 1.00 0.00 S ATOM 0 H CYS A 47 -11.831 -4.192 1.910 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.624 -5.263 3.317 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -11.865 -3.434 4.301 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.277 -3.588 5.026 1.00 0.00 H new ATOM 614 N GLU A 48 -12.165 -6.854 3.966 1.00 0.00 N ATOM 615 CA GLU A 48 -12.799 -7.840 4.825 1.00 0.00 C ATOM 616 C GLU A 48 -11.781 -8.870 5.306 1.00 0.00 C ATOM 617 O GLU A 48 -11.400 -8.894 6.477 1.00 0.00 O ATOM 618 CB GLU A 48 -13.918 -8.540 4.053 1.00 0.00 C ATOM 619 CG GLU A 48 -14.884 -9.348 4.917 1.00 0.00 C ATOM 620 CD GLU A 48 -15.445 -8.572 6.091 1.00 0.00 C ATOM 621 OE1 GLU A 48 -14.687 -8.294 7.041 1.00 0.00 O ATOM 622 OE2 GLU A 48 -16.647 -8.249 6.068 1.00 0.00 O ATOM 0 H GLU A 48 -12.467 -6.882 2.992 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.214 -7.333 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.486 -7.789 3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.470 -9.205 3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.709 -9.697 4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.370 -10.234 5.290 1.00 0.00 H new ATOM 629 N ASP A 49 -11.343 -9.717 4.384 1.00 0.00 N ATOM 630 CA ASP A 49 -10.367 -10.755 4.689 1.00 0.00 C ATOM 631 C ASP A 49 -8.971 -10.157 4.788 1.00 0.00 C ATOM 632 O ASP A 49 -8.051 -10.769 5.332 1.00 0.00 O ATOM 633 CB ASP A 49 -10.395 -11.826 3.599 1.00 0.00 C ATOM 634 CG ASP A 49 -10.614 -13.211 4.153 1.00 0.00 C ATOM 635 OD1 ASP A 49 -10.656 -13.360 5.391 1.00 0.00 O ATOM 636 OD2 ASP A 49 -10.748 -14.156 3.353 1.00 0.00 O ATOM 0 H ASP A 49 -11.651 -9.705 3.412 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.623 -11.207 5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.187 -11.594 2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.455 -11.803 3.048 1.00 0.00 H new ATOM 641 N HIS A 50 -8.825 -8.957 4.245 1.00 0.00 N ATOM 642 CA HIS A 50 -7.550 -8.251 4.244 1.00 0.00 C ATOM 643 C HIS A 50 -7.642 -7.012 5.123 1.00 0.00 C ATOM 644 O HIS A 50 -7.898 -5.912 4.628 1.00 0.00 O ATOM 645 CB HIS A 50 -7.197 -7.825 2.817 1.00 0.00 C ATOM 646 CG HIS A 50 -7.416 -8.891 1.790 1.00 0.00 C ATOM 647 ND1 HIS A 50 -8.464 -9.113 0.959 1.00 0.00 N flip ATOM 648 CD2 HIS A 50 -6.502 -9.883 1.525 1.00 0.00 C flip ATOM 649 CE1 HIS A 50 -8.162 -10.223 0.203 1.00 0.00 C flip ATOM 650 NE2 HIS A 50 -6.969 -10.668 0.570 1.00 0.00 N flip ATOM 0 H HIS A 50 -9.584 -8.446 3.794 1.00 0.00 H new ATOM 0 HA HIS A 50 -6.779 -8.917 4.632 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -7.793 -6.952 2.552 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -6.152 -7.518 2.789 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -9.319 -8.559 0.904 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -5.550 -10.002 2.020 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.791 -10.658 -0.560 1.00 0.00 H new ATOM 658 N CYS A 51 -7.462 -7.175 6.424 1.00 0.00 N ATOM 659 CA CYS A 51 -7.560 -6.037 7.323 1.00 0.00 C ATOM 660 C CYS A 51 -6.503 -6.067 8.420 1.00 0.00 C ATOM 661 O CYS A 51 -6.760 -6.544 9.528 1.00 0.00 O ATOM 662 CB CYS A 51 -8.948 -5.987 7.959 1.00 0.00 C ATOM 663 SG CYS A 51 -9.290 -4.434 8.850 1.00 0.00 S ATOM 0 H CYS A 51 -7.251 -8.066 6.874 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.389 -5.144 6.722 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.699 -6.122 7.181 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -9.051 -6.823 8.651 1.00 0.00 H new ATOM 668 N HIS A 52 -5.328 -5.520 8.130 1.00 0.00 N ATOM 669 CA HIS A 52 -4.271 -5.453 9.119 1.00 0.00 C ATOM 670 C HIS A 52 -3.479 -4.157 8.966 1.00 0.00 C ATOM 671 O HIS A 52 -2.589 -3.863 9.757 1.00 0.00 O ATOM 672 CB HIS A 52 -3.355 -6.692 9.084 1.00 0.00 C ATOM 673 CG HIS A 52 -2.494 -6.873 7.862 1.00 0.00 C ATOM 674 ND1 HIS A 52 -2.444 -5.984 6.809 1.00 0.00 N ATOM 675 CD2 HIS A 52 -1.613 -7.860 7.557 1.00 0.00 C ATOM 676 CE1 HIS A 52 -1.572 -6.414 5.914 1.00 0.00 C ATOM 677 NE2 HIS A 52 -1.051 -7.552 6.345 1.00 0.00 N ATOM 0 H HIS A 52 -5.089 -5.120 7.223 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.740 -5.452 10.103 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.702 -6.655 9.956 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.980 -7.578 9.192 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.395 -8.729 8.159 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.326 -5.920 4.986 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.348 -8.107 5.857 1.00 0.00 H new ATOM 685 N GLY A 53 -3.833 -3.370 7.955 1.00 0.00 N ATOM 686 CA GLY A 53 -3.165 -2.104 7.726 1.00 0.00 C ATOM 687 C GLY A 53 -4.028 -1.153 6.928 1.00 0.00 C ATOM 688 O GLY A 53 -4.998 -1.599 6.320 1.00 0.00 O ATOM 0 H GLY A 53 -4.574 -3.589 7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.910 -1.649 8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.228 -2.277 7.196 1.00 0.00 H new ATOM 692 N VAL A 54 -3.656 0.146 6.944 1.00 0.00 N ATOM 693 CA VAL A 54 -4.348 1.259 6.233 1.00 0.00 C ATOM 694 C VAL A 54 -5.881 1.289 6.387 1.00 0.00 C ATOM 695 O VAL A 54 -6.426 2.244 6.934 1.00 0.00 O ATOM 696 CB VAL A 54 -3.983 1.364 4.721 1.00 0.00 C ATOM 697 CG1 VAL A 54 -2.589 1.937 4.525 1.00 0.00 C ATOM 698 CG2 VAL A 54 -4.094 0.031 4.012 1.00 0.00 C ATOM 0 H VAL A 54 -2.841 0.465 7.467 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.955 2.132 6.754 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.710 2.044 4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.367 1.997 3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.541 2.934 4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.858 1.292 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.830 0.154 2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.415 -0.685 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.117 -0.338 4.088 1.00 0.00 H new ATOM 708 N CYS A 55 -6.573 0.273 5.888 1.00 0.00 N ATOM 709 CA CYS A 55 -8.028 0.221 5.957 1.00 0.00 C ATOM 710 C CYS A 55 -8.509 0.171 7.403 1.00 0.00 C ATOM 711 O CYS A 55 -9.555 0.727 7.739 1.00 0.00 O ATOM 712 CB CYS A 55 -8.541 -0.993 5.190 1.00 0.00 C ATOM 713 SG CYS A 55 -10.110 -0.706 4.320 1.00 0.00 S ATOM 0 H CYS A 55 -6.147 -0.531 5.428 1.00 0.00 H new ATOM 0 HA CYS A 55 -8.424 1.129 5.502 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.786 -1.298 4.466 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.669 -1.822 5.886 1.00 0.00 H new ATOM 718 N LYS A 56 -7.738 -0.490 8.258 1.00 0.00 N ATOM 719 CA LYS A 56 -8.093 -0.594 9.674 1.00 0.00 C ATOM 720 C LYS A 56 -7.926 0.762 10.365 1.00 0.00 C ATOM 721 O LYS A 56 -8.610 1.064 11.342 1.00 0.00 O ATOM 722 CB LYS A 56 -7.229 -1.646 10.384 1.00 0.00 C ATOM 723 CG LYS A 56 -5.796 -1.198 10.643 1.00 0.00 C ATOM 724 CD LYS A 56 -5.018 -2.234 11.435 1.00 0.00 C ATOM 725 CE LYS A 56 -3.712 -1.666 11.965 1.00 0.00 C ATOM 726 NZ LYS A 56 -3.937 -0.589 12.969 1.00 0.00 N ATOM 0 H LYS A 56 -6.869 -0.959 8.002 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.136 -0.904 9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.696 -1.903 11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.212 -2.554 9.781 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.295 -1.015 9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.803 -0.254 11.187 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.626 -2.589 12.267 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.810 -3.097 10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.126 -2.466 12.417 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.126 -1.271 11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.068 -0.442 13.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.191 0.293 12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.710 -0.866 13.608 1.00 0.00 H new ATOM 740 N ASP A 57 -7.004 1.569 9.841 1.00 0.00 N ATOM 741 CA ASP A 57 -6.720 2.892 10.388 1.00 0.00 C ATOM 742 C ASP A 57 -7.927 3.811 10.212 1.00 0.00 C ATOM 743 O ASP A 57 -8.258 4.595 11.101 1.00 0.00 O ATOM 744 CB ASP A 57 -5.486 3.485 9.693 1.00 0.00 C ATOM 745 CG ASP A 57 -4.721 4.454 10.565 1.00 0.00 C ATOM 746 OD1 ASP A 57 -5.276 5.509 10.921 1.00 0.00 O ATOM 747 OD2 ASP A 57 -3.555 4.158 10.892 1.00 0.00 O ATOM 0 H ASP A 57 -6.436 1.324 9.030 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.515 2.800 11.455 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.822 2.675 9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.800 3.995 8.782 1.00 0.00 H new ATOM 752 N LEU A 58 -8.589 3.701 9.064 1.00 0.00 N ATOM 753 CA LEU A 58 -9.764 4.521 8.777 1.00 0.00 C ATOM 754 C LEU A 58 -11.045 3.877 9.302 1.00 0.00 C ATOM 755 O LEU A 58 -12.139 4.397 9.079 1.00 0.00 O ATOM 756 CB LEU A 58 -9.895 4.762 7.275 1.00 0.00 C ATOM 757 CG LEU A 58 -8.751 5.553 6.640 1.00 0.00 C ATOM 758 CD1 LEU A 58 -8.977 5.715 5.152 1.00 0.00 C ATOM 759 CD2 LEU A 58 -8.625 6.921 7.281 1.00 0.00 C ATOM 0 H LEU A 58 -8.333 3.054 8.318 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.625 5.473 9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.970 3.797 6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.829 5.292 7.088 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.829 4.996 6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.152 6.281 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.030 4.733 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.912 6.249 4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.805 7.467 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.554 7.474 7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.425 6.807 8.346 1.00 0.00 H new ATOM 771 N HIS A 59 -10.896 2.749 9.997 1.00 0.00 N ATOM 772 CA HIS A 59 -12.030 2.015 10.570 1.00 0.00 C ATOM 773 C HIS A 59 -13.023 1.575 9.495 1.00 0.00 C ATOM 774 O HIS A 59 -14.206 1.920 9.544 1.00 0.00 O ATOM 775 CB HIS A 59 -12.742 2.856 11.638 1.00 0.00 C ATOM 776 CG HIS A 59 -11.945 3.029 12.892 1.00 0.00 C ATOM 777 ND1 HIS A 59 -12.336 3.847 13.929 1.00 0.00 N ATOM 778 CD2 HIS A 59 -10.776 2.470 13.279 1.00 0.00 C ATOM 779 CE1 HIS A 59 -11.442 3.784 14.900 1.00 0.00 C ATOM 780 NE2 HIS A 59 -10.483 2.953 14.529 1.00 0.00 N ATOM 0 H HIS A 59 -9.990 2.318 10.180 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.628 1.118 11.040 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.969 3.838 11.223 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.694 2.386 11.884 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -10.182 1.771 12.708 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.487 4.320 15.837 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -9.660 2.711 15.081 1.00 0.00 H new ATOM 788 N LEU A 60 -12.534 0.812 8.525 1.00 0.00 N ATOM 789 CA LEU A 60 -13.370 0.323 7.441 1.00 0.00 C ATOM 790 C LEU A 60 -13.537 -1.197 7.519 1.00 0.00 C ATOM 791 O LEU A 60 -14.262 -1.799 6.723 1.00 0.00 O ATOM 792 CB LEU A 60 -12.771 0.730 6.094 1.00 0.00 C ATOM 793 CG LEU A 60 -12.600 2.240 5.895 1.00 0.00 C ATOM 794 CD1 LEU A 60 -11.873 2.533 4.596 1.00 0.00 C ATOM 795 CD2 LEU A 60 -13.948 2.941 5.911 1.00 0.00 C ATOM 0 H LEU A 60 -11.559 0.519 8.469 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.358 0.773 7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.798 0.251 5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.407 0.343 5.298 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.000 2.622 6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.763 3.611 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.888 2.068 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.446 2.131 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.803 4.012 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.572 2.549 5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.438 2.766 6.869 1.00 0.00 H new ATOM 807 N CYS A 61 -12.869 -1.803 8.494 1.00 0.00 N ATOM 808 CA CYS A 61 -12.934 -3.244 8.717 1.00 0.00 C ATOM 809 C CYS A 61 -12.479 -3.560 10.134 1.00 0.00 C ATOM 810 O CYS A 61 -12.102 -2.612 10.851 1.00 0.00 O ATOM 811 CB CYS A 61 -12.068 -4.008 7.708 1.00 0.00 C ATOM 812 SG CYS A 61 -10.377 -3.346 7.526 1.00 0.00 S ATOM 813 OXT CYS A 61 -12.504 -4.743 10.522 1.00 0.00 O ATOM 0 H CYS A 61 -12.267 -1.310 9.153 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.967 -3.564 8.580 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.007 -5.052 8.015 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.560 -3.990 6.736 1.00 0.00 H new TER 818 CYS A 61 ATOM 819 N ALA B 62 30.879 1.846 9.973 1.00 0.00 N ATOM 820 CA ALA B 62 30.503 1.282 8.649 1.00 0.00 C ATOM 821 C ALA B 62 29.142 0.598 8.724 1.00 0.00 C ATOM 822 O ALA B 62 28.218 0.952 7.982 1.00 0.00 O ATOM 823 CB ALA B 62 31.556 0.296 8.154 1.00 0.00 C ATOM 0 HA ALA B 62 30.444 2.108 7.940 1.00 0.00 H new ATOM 0 HB1 ALA B 62 31.256 -0.101 7.184 1.00 0.00 H new ATOM 0 HB2 ALA B 62 32.514 0.806 8.056 1.00 0.00 H new ATOM 0 HB3 ALA B 62 31.652 -0.523 8.867 1.00 0.00 H new ATOM 831 N MET B 63 29.036 -0.383 9.634 1.00 0.00 N ATOM 832 CA MET B 63 27.809 -1.167 9.866 1.00 0.00 C ATOM 833 C MET B 63 27.517 -2.142 8.725 1.00 0.00 C ATOM 834 O MET B 63 27.102 -3.274 8.959 1.00 0.00 O ATOM 835 CB MET B 63 26.587 -0.265 10.100 1.00 0.00 C ATOM 836 CG MET B 63 26.772 0.749 11.221 1.00 0.00 C ATOM 837 SD MET B 63 25.277 0.979 12.202 1.00 0.00 S ATOM 838 CE MET B 63 24.047 1.188 10.920 1.00 0.00 C ATOM 0 H MET B 63 29.810 -0.659 10.238 1.00 0.00 H new ATOM 0 HA MET B 63 27.994 -1.746 10.771 1.00 0.00 H new ATOM 0 HB2 MET B 63 26.359 0.267 9.177 1.00 0.00 H new ATOM 0 HB3 MET B 63 25.724 -0.891 10.329 1.00 0.00 H new ATOM 0 HG2 MET B 63 27.582 0.421 11.872 1.00 0.00 H new ATOM 0 HG3 MET B 63 27.073 1.706 10.794 1.00 0.00 H new ATOM 0 HE1 MET B 63 23.206 1.759 11.313 1.00 0.00 H new ATOM 0 HE2 MET B 63 24.487 1.722 10.078 1.00 0.00 H new ATOM 0 HE3 MET B 63 23.698 0.210 10.587 1.00 0.00 H new ATOM 848 N GLY B 64 27.720 -1.701 7.495 1.00 0.00 N ATOM 849 CA GLY B 64 27.459 -2.547 6.351 1.00 0.00 C ATOM 850 C GLY B 64 26.258 -2.072 5.567 1.00 0.00 C ATOM 851 O GLY B 64 26.243 -2.150 4.338 1.00 0.00 O ATOM 0 H GLY B 64 28.063 -0.768 7.267 1.00 0.00 H new ATOM 0 HA2 GLY B 64 28.335 -2.562 5.702 1.00 0.00 H new ATOM 0 HA3 GLY B 64 27.293 -3.571 6.686 1.00 0.00 H new ATOM 855 N LYS B 65 25.251 -1.572 6.293 1.00 0.00 N ATOM 856 CA LYS B 65 24.016 -1.060 5.694 1.00 0.00 C ATOM 857 C LYS B 65 23.346 -2.120 4.821 1.00 0.00 C ATOM 858 O LYS B 65 23.544 -3.318 5.024 1.00 0.00 O ATOM 859 CB LYS B 65 24.315 0.205 4.883 1.00 0.00 C ATOM 860 CG LYS B 65 24.813 1.366 5.737 1.00 0.00 C ATOM 861 CD LYS B 65 25.401 2.479 4.882 1.00 0.00 C ATOM 862 CE LYS B 65 25.718 3.721 5.708 1.00 0.00 C ATOM 863 NZ LYS B 65 26.512 3.395 6.922 1.00 0.00 N ATOM 0 H LYS B 65 25.271 -1.512 7.311 1.00 0.00 H new ATOM 0 HA LYS B 65 23.321 -0.808 6.495 1.00 0.00 H new ATOM 0 HB2 LYS B 65 25.063 -0.026 4.125 1.00 0.00 H new ATOM 0 HB3 LYS B 65 23.412 0.512 4.356 1.00 0.00 H new ATOM 0 HG2 LYS B 65 23.989 1.760 6.332 1.00 0.00 H new ATOM 0 HG3 LYS B 65 25.568 1.006 6.436 1.00 0.00 H new ATOM 0 HD2 LYS B 65 26.310 2.123 4.397 1.00 0.00 H new ATOM 0 HD3 LYS B 65 24.698 2.739 4.090 1.00 0.00 H new ATOM 0 HE2 LYS B 65 26.270 4.433 5.094 1.00 0.00 H new ATOM 0 HE3 LYS B 65 24.788 4.207 6.003 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 27.156 4.183 7.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 25.870 3.242 7.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 27.066 2.532 6.753 1.00 0.00 H new ATOM 877 N CYS B 66 22.560 -1.683 3.846 1.00 0.00 N ATOM 878 CA CYS B 66 21.887 -2.615 2.953 1.00 0.00 C ATOM 879 C CYS B 66 22.697 -2.790 1.679 1.00 0.00 C ATOM 880 O CYS B 66 22.318 -2.296 0.616 1.00 0.00 O ATOM 881 CB CYS B 66 20.474 -2.132 2.617 1.00 0.00 C ATOM 882 SG CYS B 66 19.155 -3.256 3.188 1.00 0.00 S ATOM 0 H CYS B 66 22.374 -0.698 3.655 1.00 0.00 H new ATOM 0 HA CYS B 66 21.805 -3.576 3.461 1.00 0.00 H new ATOM 0 HB2 CYS B 66 20.320 -1.150 3.064 1.00 0.00 H new ATOM 0 HB3 CYS B 66 20.390 -2.007 1.537 1.00 0.00 H new ATOM 887 N SER B 67 23.823 -3.482 1.801 1.00 0.00 N ATOM 888 CA SER B 67 24.708 -3.719 0.670 1.00 0.00 C ATOM 889 C SER B 67 24.303 -4.986 -0.094 1.00 0.00 C ATOM 890 O SER B 67 23.132 -5.167 -0.430 1.00 0.00 O ATOM 891 CB SER B 67 26.155 -3.807 1.165 1.00 0.00 C ATOM 892 OG SER B 67 26.263 -4.686 2.276 1.00 0.00 O ATOM 0 H SER B 67 24.145 -3.891 2.678 1.00 0.00 H new ATOM 0 HA SER B 67 24.624 -2.885 -0.027 1.00 0.00 H new ATOM 0 HB2 SER B 67 26.798 -4.156 0.357 1.00 0.00 H new ATOM 0 HB3 SER B 67 26.507 -2.815 1.447 1.00 0.00 H new ATOM 0 HG SER B 67 26.299 -4.163 3.104 1.00 0.00 H new ATOM 898 N VAL B 68 25.266 -5.859 -0.371 1.00 0.00 N ATOM 899 CA VAL B 68 24.985 -7.090 -1.095 1.00 0.00 C ATOM 900 C VAL B 68 24.946 -8.292 -0.150 1.00 0.00 C ATOM 901 O VAL B 68 24.074 -9.154 -0.266 1.00 0.00 O ATOM 902 CB VAL B 68 26.017 -7.319 -2.227 1.00 0.00 C ATOM 903 CG1 VAL B 68 27.440 -7.298 -1.691 1.00 0.00 C ATOM 904 CG2 VAL B 68 25.742 -8.619 -2.966 1.00 0.00 C ATOM 0 H VAL B 68 26.243 -5.736 -0.106 1.00 0.00 H new ATOM 0 HA VAL B 68 24.000 -6.986 -1.549 1.00 0.00 H new ATOM 0 HB VAL B 68 25.912 -6.497 -2.935 1.00 0.00 H new ATOM 0 HG11 VAL B 68 28.140 -7.462 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL B 68 27.641 -6.331 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL B 68 27.561 -8.086 -0.948 1.00 0.00 H new ATOM 0 HG21 VAL B 68 26.482 -8.753 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL B 68 25.801 -9.454 -2.268 1.00 0.00 H new ATOM 0 HG23 VAL B 68 24.745 -8.584 -3.406 1.00 0.00 H new ATOM 914 N LEU B 69 25.883 -8.343 0.792 1.00 0.00 N ATOM 915 CA LEU B 69 25.926 -9.441 1.747 1.00 0.00 C ATOM 916 C LEU B 69 25.027 -9.142 2.938 1.00 0.00 C ATOM 917 O LEU B 69 24.324 -10.023 3.431 1.00 0.00 O ATOM 918 CB LEU B 69 27.362 -9.743 2.211 1.00 0.00 C ATOM 919 CG LEU B 69 28.062 -8.661 3.045 1.00 0.00 C ATOM 920 CD1 LEU B 69 29.274 -9.255 3.742 1.00 0.00 C ATOM 921 CD2 LEU B 69 28.488 -7.482 2.176 1.00 0.00 C ATOM 0 H LEU B 69 26.615 -7.643 0.913 1.00 0.00 H new ATOM 0 HA LEU B 69 25.556 -10.333 1.241 1.00 0.00 H new ATOM 0 HB2 LEU B 69 27.344 -10.663 2.795 1.00 0.00 H new ATOM 0 HB3 LEU B 69 27.970 -9.938 1.328 1.00 0.00 H new ATOM 0 HG LEU B 69 27.355 -8.294 3.789 1.00 0.00 H new ATOM 0 HD11 LEU B 69 29.768 -8.484 4.333 1.00 0.00 H new ATOM 0 HD12 LEU B 69 28.956 -10.066 4.397 1.00 0.00 H new ATOM 0 HD13 LEU B 69 29.969 -9.642 2.997 1.00 0.00 H new ATOM 0 HD21 LEU B 69 28.981 -6.733 2.796 1.00 0.00 H new ATOM 0 HD22 LEU B 69 29.178 -7.828 1.407 1.00 0.00 H new ATOM 0 HD23 LEU B 69 27.610 -7.042 1.704 1.00 0.00 H new ATOM 933 N LYS B 70 25.027 -7.890 3.389 1.00 0.00 N ATOM 934 CA LYS B 70 24.191 -7.498 4.505 1.00 0.00 C ATOM 935 C LYS B 70 22.819 -7.050 4.015 1.00 0.00 C ATOM 936 O LYS B 70 22.113 -6.302 4.690 1.00 0.00 O ATOM 937 CB LYS B 70 24.861 -6.400 5.326 1.00 0.00 C ATOM 938 CG LYS B 70 26.049 -6.886 6.153 1.00 0.00 C ATOM 939 CD LYS B 70 26.339 -5.969 7.330 1.00 0.00 C ATOM 940 CE LYS B 70 25.676 -6.468 8.613 1.00 0.00 C ATOM 941 NZ LYS B 70 24.204 -6.657 8.479 1.00 0.00 N ATOM 0 H LYS B 70 25.595 -7.139 2.997 1.00 0.00 H new ATOM 0 HA LYS B 70 24.056 -8.365 5.152 1.00 0.00 H new ATOM 0 HB2 LYS B 70 25.197 -5.611 4.654 1.00 0.00 H new ATOM 0 HB3 LYS B 70 24.122 -5.957 5.994 1.00 0.00 H new ATOM 0 HG2 LYS B 70 25.848 -7.893 6.519 1.00 0.00 H new ATOM 0 HG3 LYS B 70 26.932 -6.949 5.517 1.00 0.00 H new ATOM 0 HD2 LYS B 70 27.416 -5.900 7.480 1.00 0.00 H new ATOM 0 HD3 LYS B 70 25.984 -4.964 7.104 1.00 0.00 H new ATOM 0 HE2 LYS B 70 26.132 -7.414 8.906 1.00 0.00 H new ATOM 0 HE3 LYS B 70 25.873 -5.758 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 23.794 -6.864 9.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 23.776 -5.789 8.098 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 24.013 -7.450 7.833 1.00 0.00 H new ATOM 955 N LYS B 71 22.437 -7.544 2.850 1.00 0.00 N ATOM 956 CA LYS B 71 21.143 -7.242 2.271 1.00 0.00 C ATOM 957 C LYS B 71 20.055 -7.960 3.066 1.00 0.00 C ATOM 958 O LYS B 71 18.915 -7.505 3.136 1.00 0.00 O ATOM 959 CB LYS B 71 21.157 -7.653 0.787 1.00 0.00 C ATOM 960 CG LYS B 71 19.792 -7.865 0.135 1.00 0.00 C ATOM 961 CD LYS B 71 19.321 -9.310 0.263 1.00 0.00 C ATOM 962 CE LYS B 71 18.806 -9.853 -1.061 1.00 0.00 C ATOM 963 NZ LYS B 71 17.610 -9.111 -1.530 1.00 0.00 N ATOM 0 H LYS B 71 23.014 -8.164 2.282 1.00 0.00 H new ATOM 0 HA LYS B 71 20.929 -6.174 2.320 1.00 0.00 H new ATOM 0 HB2 LYS B 71 21.691 -6.887 0.224 1.00 0.00 H new ATOM 0 HB3 LYS B 71 21.729 -8.576 0.692 1.00 0.00 H new ATOM 0 HG2 LYS B 71 19.061 -7.202 0.598 1.00 0.00 H new ATOM 0 HG3 LYS B 71 19.846 -7.593 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS B 71 20.144 -9.931 0.616 1.00 0.00 H new ATOM 0 HD3 LYS B 71 18.532 -9.371 1.013 1.00 0.00 H new ATOM 0 HE2 LYS B 71 19.593 -9.787 -1.812 1.00 0.00 H new ATOM 0 HE3 LYS B 71 18.559 -10.909 -0.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 17.247 -9.552 -2.399 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 16.875 -9.138 -0.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 17.869 -8.123 -1.725 1.00 0.00 H new ATOM 977 N VAL B 72 20.429 -9.077 3.682 1.00 0.00 N ATOM 978 CA VAL B 72 19.504 -9.865 4.483 1.00 0.00 C ATOM 979 C VAL B 72 19.364 -9.294 5.906 1.00 0.00 C ATOM 980 O VAL B 72 18.698 -9.882 6.760 1.00 0.00 O ATOM 981 CB VAL B 72 19.971 -11.332 4.558 1.00 0.00 C ATOM 982 CG1 VAL B 72 18.825 -12.250 4.962 1.00 0.00 C ATOM 983 CG2 VAL B 72 20.588 -11.768 3.232 1.00 0.00 C ATOM 0 H VAL B 72 21.374 -9.458 3.640 1.00 0.00 H new ATOM 0 HA VAL B 72 18.529 -9.820 3.997 1.00 0.00 H new ATOM 0 HB VAL B 72 20.739 -11.407 5.328 1.00 0.00 H new ATOM 0 HG11 VAL B 72 19.182 -13.279 5.007 1.00 0.00 H new ATOM 0 HG12 VAL B 72 18.449 -11.953 5.941 1.00 0.00 H new ATOM 0 HG13 VAL B 72 18.023 -12.176 4.227 1.00 0.00 H new ATOM 0 HG21 VAL B 72 20.911 -12.806 3.305 1.00 0.00 H new ATOM 0 HG22 VAL B 72 19.848 -11.674 2.438 1.00 0.00 H new ATOM 0 HG23 VAL B 72 21.446 -11.136 3.005 1.00 0.00 H new ATOM 993 N ALA B 73 19.971 -8.127 6.150 1.00 0.00 N ATOM 994 CA ALA B 73 19.886 -7.475 7.461 1.00 0.00 C ATOM 995 C ALA B 73 18.456 -7.011 7.735 1.00 0.00 C ATOM 996 O ALA B 73 18.118 -6.592 8.839 1.00 0.00 O ATOM 997 CB ALA B 73 20.849 -6.295 7.536 1.00 0.00 C ATOM 0 H ALA B 73 20.524 -7.617 5.461 1.00 0.00 H new ATOM 0 HA ALA B 73 20.168 -8.201 8.224 1.00 0.00 H new ATOM 0 HB1 ALA B 73 20.772 -5.824 8.516 1.00 0.00 H new ATOM 0 HB2 ALA B 73 21.869 -6.647 7.382 1.00 0.00 H new ATOM 0 HB3 ALA B 73 20.596 -5.569 6.763 1.00 0.00 H new ATOM 1003 N CYS B 74 17.617 -7.107 6.712 1.00 0.00 N ATOM 1004 CA CYS B 74 16.214 -6.724 6.806 1.00 0.00 C ATOM 1005 C CYS B 74 15.436 -7.724 7.655 1.00 0.00 C ATOM 1006 O CYS B 74 14.459 -7.369 8.315 1.00 0.00 O ATOM 1007 CB CYS B 74 15.616 -6.671 5.401 1.00 0.00 C ATOM 1008 SG CYS B 74 16.063 -8.129 4.401 1.00 0.00 S ATOM 0 H CYS B 74 17.890 -7.453 5.792 1.00 0.00 H new ATOM 0 HA CYS B 74 16.146 -5.745 7.280 1.00 0.00 H new ATOM 0 HB2 CYS B 74 14.531 -6.602 5.473 1.00 0.00 H new ATOM 0 HB3 CYS B 74 15.960 -5.768 4.896 1.00 0.00 H new ATOM 1013 N ALA B 75 15.877 -8.980 7.625 1.00 0.00 N ATOM 1014 CA ALA B 75 15.230 -10.055 8.372 1.00 0.00 C ATOM 1015 C ALA B 75 15.396 -9.901 9.880 1.00 0.00 C ATOM 1016 O ALA B 75 14.823 -10.669 10.652 1.00 0.00 O ATOM 1017 CB ALA B 75 15.778 -11.404 7.924 1.00 0.00 C ATOM 0 H ALA B 75 16.689 -9.280 7.085 1.00 0.00 H new ATOM 0 HA ALA B 75 14.163 -9.998 8.157 1.00 0.00 H new ATOM 0 HB1 ALA B 75 15.290 -12.200 8.486 1.00 0.00 H new ATOM 0 HB2 ALA B 75 15.584 -11.540 6.860 1.00 0.00 H new ATOM 0 HB3 ALA B 75 16.852 -11.438 8.105 1.00 0.00 H new ATOM 1023 N ALA B 76 16.175 -8.919 10.304 1.00 0.00 N ATOM 1024 CA ALA B 76 16.389 -8.702 11.724 1.00 0.00 C ATOM 1025 C ALA B 76 15.134 -8.157 12.398 1.00 0.00 C ATOM 1026 O ALA B 76 14.924 -8.373 13.591 1.00 0.00 O ATOM 1027 CB ALA B 76 17.564 -7.765 11.957 1.00 0.00 C ATOM 0 H ALA B 76 16.665 -8.266 9.692 1.00 0.00 H new ATOM 0 HA ALA B 76 16.621 -9.668 12.173 1.00 0.00 H new ATOM 0 HB1 ALA B 76 17.705 -7.617 13.028 1.00 0.00 H new ATOM 0 HB2 ALA B 76 18.467 -8.200 11.529 1.00 0.00 H new ATOM 0 HB3 ALA B 76 17.363 -6.805 11.482 1.00 0.00 H new ATOM 1033 N ALA B 77 14.300 -7.455 11.639 1.00 0.00 N ATOM 1034 CA ALA B 77 13.078 -6.889 12.197 1.00 0.00 C ATOM 1035 C ALA B 77 11.838 -7.242 11.378 1.00 0.00 C ATOM 1036 O ALA B 77 10.739 -7.336 11.926 1.00 0.00 O ATOM 1037 CB ALA B 77 13.201 -5.379 12.321 1.00 0.00 C ATOM 0 H ALA B 77 14.445 -7.266 10.647 1.00 0.00 H new ATOM 0 HA ALA B 77 12.951 -7.330 13.186 1.00 0.00 H new ATOM 0 HB1 ALA B 77 12.280 -4.972 12.739 1.00 0.00 H new ATOM 0 HB2 ALA B 77 14.037 -5.135 12.977 1.00 0.00 H new ATOM 0 HB3 ALA B 77 13.374 -4.946 11.336 1.00 0.00 H new ATOM 1043 N ILE B 78 11.997 -7.427 10.069 1.00 0.00 N ATOM 1044 CA ILE B 78 10.855 -7.740 9.219 1.00 0.00 C ATOM 1045 C ILE B 78 10.389 -9.168 9.426 1.00 0.00 C ATOM 1046 O ILE B 78 9.198 -9.457 9.367 1.00 0.00 O ATOM 1047 CB ILE B 78 11.161 -7.507 7.720 1.00 0.00 C ATOM 1048 CG1 ILE B 78 9.854 -7.254 6.969 1.00 0.00 C ATOM 1049 CG2 ILE B 78 11.914 -8.670 7.086 1.00 0.00 C ATOM 1050 CD1 ILE B 78 9.254 -5.898 7.254 1.00 0.00 C ATOM 0 H ILE B 78 12.891 -7.367 9.582 1.00 0.00 H new ATOM 0 HA ILE B 78 10.058 -7.058 9.514 1.00 0.00 H new ATOM 0 HB ILE B 78 11.812 -6.635 7.649 1.00 0.00 H new ATOM 0 HG12 ILE B 78 10.035 -7.346 5.898 1.00 0.00 H new ATOM 0 HG13 ILE B 78 9.133 -8.026 7.238 1.00 0.00 H new ATOM 0 HG21 ILE B 78 12.102 -8.452 6.035 1.00 0.00 H new ATOM 0 HG22 ILE B 78 12.863 -8.813 7.602 1.00 0.00 H new ATOM 0 HG23 ILE B 78 11.316 -9.578 7.167 1.00 0.00 H new ATOM 0 HD11 ILE B 78 8.329 -5.784 6.689 1.00 0.00 H new ATOM 0 HD12 ILE B 78 9.042 -5.811 8.320 1.00 0.00 H new ATOM 0 HD13 ILE B 78 9.958 -5.120 6.959 1.00 0.00 H new ATOM 1062 N ALA B 79 11.347 -10.052 9.649 1.00 0.00 N ATOM 1063 CA ALA B 79 11.054 -11.470 9.845 1.00 0.00 C ATOM 1064 C ALA B 79 10.125 -11.699 11.031 1.00 0.00 C ATOM 1065 O ALA B 79 9.289 -12.602 11.005 1.00 0.00 O ATOM 1066 CB ALA B 79 12.334 -12.271 10.016 1.00 0.00 C ATOM 0 H ALA B 79 12.338 -9.816 9.700 1.00 0.00 H new ATOM 0 HA ALA B 79 10.541 -11.817 8.948 1.00 0.00 H new ATOM 0 HB1 ALA B 79 12.088 -13.323 10.160 1.00 0.00 H new ATOM 0 HB2 ALA B 79 12.953 -12.162 9.126 1.00 0.00 H new ATOM 0 HB3 ALA B 79 12.880 -11.903 10.885 1.00 0.00 H new ATOM 1072 N GLY B 80 10.257 -10.875 12.062 1.00 0.00 N ATOM 1073 CA GLY B 80 9.401 -11.011 13.223 1.00 0.00 C ATOM 1074 C GLY B 80 8.021 -10.458 12.955 1.00 0.00 C ATOM 1075 O GLY B 80 7.022 -10.978 13.455 1.00 0.00 O ATOM 0 H GLY B 80 10.939 -10.118 12.115 1.00 0.00 H new ATOM 0 HA2 GLY B 80 9.326 -12.062 13.501 1.00 0.00 H new ATOM 0 HA3 GLY B 80 9.847 -10.488 14.069 1.00 0.00 H new ATOM 1079 N ALA B 81 7.970 -9.403 12.142 1.00 0.00 N ATOM 1080 CA ALA B 81 6.714 -8.761 11.779 1.00 0.00 C ATOM 1081 C ALA B 81 5.842 -9.680 10.932 1.00 0.00 C ATOM 1082 O ALA B 81 4.618 -9.541 10.910 1.00 0.00 O ATOM 1083 CB ALA B 81 6.978 -7.462 11.038 1.00 0.00 C ATOM 0 H ALA B 81 8.794 -8.974 11.721 1.00 0.00 H new ATOM 0 HA ALA B 81 6.176 -8.542 12.701 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.029 -6.995 10.774 1.00 0.00 H new ATOM 0 HB2 ALA B 81 7.549 -6.788 11.677 1.00 0.00 H new ATOM 0 HB3 ALA B 81 7.545 -7.669 10.131 1.00 0.00 H new ATOM 1089 N VAL B 82 6.478 -10.622 10.244 1.00 0.00 N ATOM 1090 CA VAL B 82 5.781 -11.574 9.406 1.00 0.00 C ATOM 1091 C VAL B 82 4.761 -12.371 10.226 1.00 0.00 C ATOM 1092 O VAL B 82 3.654 -12.656 9.764 1.00 0.00 O ATOM 1093 CB VAL B 82 6.798 -12.527 8.740 1.00 0.00 C ATOM 1094 CG1 VAL B 82 6.093 -13.598 7.949 1.00 0.00 C ATOM 1095 CG2 VAL B 82 7.751 -11.756 7.844 1.00 0.00 C ATOM 0 H VAL B 82 7.491 -10.742 10.256 1.00 0.00 H new ATOM 0 HA VAL B 82 5.242 -11.030 8.630 1.00 0.00 H new ATOM 0 HB VAL B 82 7.375 -13.006 9.531 1.00 0.00 H new ATOM 0 HG11 VAL B 82 6.831 -14.256 7.490 1.00 0.00 H new ATOM 0 HG12 VAL B 82 5.452 -14.178 8.613 1.00 0.00 H new ATOM 0 HG13 VAL B 82 5.485 -13.135 7.171 1.00 0.00 H new ATOM 0 HG21 VAL B 82 8.458 -12.447 7.385 1.00 0.00 H new ATOM 0 HG22 VAL B 82 7.185 -11.246 7.065 1.00 0.00 H new ATOM 0 HG23 VAL B 82 8.295 -11.021 8.438 1.00 0.00 H new ATOM 1105 N ALA B 83 5.140 -12.710 11.452 1.00 0.00 N ATOM 1106 CA ALA B 83 4.265 -13.456 12.341 1.00 0.00 C ATOM 1107 C ALA B 83 3.485 -12.524 13.265 1.00 0.00 C ATOM 1108 O ALA B 83 2.349 -12.813 13.634 1.00 0.00 O ATOM 1109 CB ALA B 83 5.068 -14.453 13.163 1.00 0.00 C ATOM 0 H ALA B 83 6.049 -12.479 11.852 1.00 0.00 H new ATOM 0 HA ALA B 83 3.549 -13.998 11.723 1.00 0.00 H new ATOM 0 HB1 ALA B 83 4.398 -15.003 13.823 1.00 0.00 H new ATOM 0 HB2 ALA B 83 5.574 -15.151 12.496 1.00 0.00 H new ATOM 0 HB3 ALA B 83 5.808 -13.920 13.760 1.00 0.00 H new ATOM 1115 N ALA B 84 4.111 -11.410 13.646 1.00 0.00 N ATOM 1116 CA ALA B 84 3.489 -10.439 14.544 1.00 0.00 C ATOM 1117 C ALA B 84 2.319 -9.704 13.894 1.00 0.00 C ATOM 1118 O ALA B 84 1.487 -9.120 14.587 1.00 0.00 O ATOM 1119 CB ALA B 84 4.525 -9.439 15.034 1.00 0.00 C ATOM 0 H ALA B 84 5.052 -11.158 13.345 1.00 0.00 H new ATOM 0 HA ALA B 84 3.088 -10.998 15.390 1.00 0.00 H new ATOM 0 HB1 ALA B 84 4.050 -8.721 15.702 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.314 -9.966 15.570 1.00 0.00 H new ATOM 0 HB3 ALA B 84 4.954 -8.913 14.182 1.00 0.00 H new ATOM 1125 N CYS B 85 2.259 -9.720 12.569 1.00 0.00 N ATOM 1126 CA CYS B 85 1.181 -9.044 11.852 1.00 0.00 C ATOM 1127 C CYS B 85 0.089 -10.021 11.435 1.00 0.00 C ATOM 1128 O CYS B 85 -0.901 -9.618 10.822 1.00 0.00 O ATOM 1129 CB CYS B 85 1.718 -8.330 10.608 1.00 0.00 C ATOM 1130 SG CYS B 85 1.837 -6.518 10.773 1.00 0.00 S ATOM 0 H CYS B 85 2.938 -10.190 11.970 1.00 0.00 H new ATOM 0 HA CYS B 85 0.754 -8.311 12.536 1.00 0.00 H new ATOM 0 HB2 CYS B 85 2.706 -8.727 10.374 1.00 0.00 H new ATOM 0 HB3 CYS B 85 1.072 -8.564 9.762 1.00 0.00 H new ATOM 1135 N GLY B 86 0.272 -11.304 11.750 1.00 0.00 N ATOM 1136 CA GLY B 86 -0.715 -12.308 11.373 1.00 0.00 C ATOM 1137 C GLY B 86 -0.904 -12.357 9.870 1.00 0.00 C ATOM 1138 O GLY B 86 -2.016 -12.524 9.370 1.00 0.00 O ATOM 0 H GLY B 86 1.081 -11.665 12.256 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -0.398 -13.286 11.734 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -1.667 -12.084 11.854 1.00 0.00 H new ATOM 1142 N GLY B 87 0.192 -12.176 9.156 1.00 0.00 N ATOM 1143 CA GLY B 87 0.163 -12.161 7.710 1.00 0.00 C ATOM 1144 C GLY B 87 1.143 -11.146 7.183 1.00 0.00 C ATOM 1145 O GLY B 87 1.264 -10.052 7.742 1.00 0.00 O ATOM 0 H GLY B 87 1.118 -12.037 9.560 1.00 0.00 H new ATOM 0 HA2 GLY B 87 0.409 -13.150 7.323 1.00 0.00 H new ATOM 0 HA3 GLY B 87 -0.842 -11.923 7.361 1.00 0.00 H new ATOM 1149 N ILE B 88 1.873 -11.494 6.141 1.00 0.00 N ATOM 1150 CA ILE B 88 2.860 -10.579 5.606 1.00 0.00 C ATOM 1151 C ILE B 88 2.393 -9.895 4.323 1.00 0.00 C ATOM 1152 O ILE B 88 2.156 -10.539 3.300 1.00 0.00 O ATOM 1153 CB ILE B 88 4.217 -11.277 5.366 1.00 0.00 C ATOM 1154 CG1 ILE B 88 5.179 -10.301 4.702 1.00 0.00 C ATOM 1155 CG2 ILE B 88 4.061 -12.544 4.534 1.00 0.00 C ATOM 1156 CD1 ILE B 88 5.782 -9.308 5.666 1.00 0.00 C ATOM 0 H ILE B 88 1.803 -12.388 5.655 1.00 0.00 H new ATOM 0 HA ILE B 88 2.992 -9.808 6.365 1.00 0.00 H new ATOM 0 HB ILE B 88 4.624 -11.582 6.330 1.00 0.00 H new ATOM 0 HG12 ILE B 88 5.980 -10.862 4.221 1.00 0.00 H new ATOM 0 HG13 ILE B 88 4.652 -9.760 3.916 1.00 0.00 H new ATOM 0 HG21 ILE B 88 5.038 -13.005 4.387 1.00 0.00 H new ATOM 0 HG22 ILE B 88 3.404 -13.242 5.053 1.00 0.00 H new ATOM 0 HG23 ILE B 88 3.629 -12.292 3.565 1.00 0.00 H new ATOM 0 HD11 ILE B 88 6.457 -8.643 5.128 1.00 0.00 H new ATOM 0 HD12 ILE B 88 4.988 -8.722 6.129 1.00 0.00 H new ATOM 0 HD13 ILE B 88 6.337 -9.841 6.438 1.00 0.00 H new ATOM 1168 N ASP B 89 2.299 -8.574 4.388 1.00 0.00 N ATOM 1169 CA ASP B 89 1.904 -7.767 3.241 1.00 0.00 C ATOM 1170 C ASP B 89 2.858 -6.587 3.117 1.00 0.00 C ATOM 1171 O ASP B 89 3.833 -6.644 2.369 1.00 0.00 O ATOM 1172 CB ASP B 89 0.460 -7.255 3.364 1.00 0.00 C ATOM 1173 CG ASP B 89 -0.578 -8.361 3.417 1.00 0.00 C ATOM 1174 OD1 ASP B 89 -0.489 -9.217 4.317 1.00 0.00 O ATOM 1175 OD2 ASP B 89 -1.506 -8.345 2.587 1.00 0.00 O ATOM 0 H ASP B 89 2.493 -8.034 5.231 1.00 0.00 H new ATOM 0 HA ASP B 89 1.951 -8.395 2.351 1.00 0.00 H new ATOM 0 HB2 ASP B 89 0.375 -6.646 4.264 1.00 0.00 H new ATOM 0 HB3 ASP B 89 0.241 -6.604 2.517 1.00 0.00 H new ATOM 1180 N LEU B 90 2.574 -5.529 3.884 1.00 0.00 N ATOM 1181 CA LEU B 90 3.394 -4.316 3.904 1.00 0.00 C ATOM 1182 C LEU B 90 2.776 -3.252 4.818 1.00 0.00 C ATOM 1183 O LEU B 90 3.471 -2.715 5.676 1.00 0.00 O ATOM 1184 CB LEU B 90 3.601 -3.743 2.492 1.00 0.00 C ATOM 1185 CG LEU B 90 4.390 -2.431 2.428 1.00 0.00 C ATOM 1186 CD1 LEU B 90 5.733 -2.567 3.135 1.00 0.00 C ATOM 1187 CD2 LEU B 90 4.593 -2.015 0.983 1.00 0.00 C ATOM 0 H LEU B 90 1.768 -5.491 4.508 1.00 0.00 H new ATOM 0 HA LEU B 90 4.370 -4.597 4.299 1.00 0.00 H new ATOM 0 HB2 LEU B 90 4.117 -4.488 1.887 1.00 0.00 H new ATOM 0 HB3 LEU B 90 2.624 -3.583 2.036 1.00 0.00 H new ATOM 0 HG LEU B 90 3.815 -1.660 2.941 1.00 0.00 H new ATOM 0 HD11 LEU B 90 6.273 -1.622 3.075 1.00 0.00 H new ATOM 0 HD12 LEU B 90 5.569 -2.825 4.181 1.00 0.00 H new ATOM 0 HD13 LEU B 90 6.319 -3.351 2.655 1.00 0.00 H new ATOM 0 HD21 LEU B 90 5.155 -1.082 0.949 1.00 0.00 H new ATOM 0 HD22 LEU B 90 5.147 -2.791 0.455 1.00 0.00 H new ATOM 0 HD23 LEU B 90 3.623 -1.873 0.506 1.00 0.00 H new ATOM 1199 N PRO B 91 1.467 -2.915 4.640 1.00 0.00 N ATOM 1200 CA PRO B 91 0.772 -1.897 5.440 1.00 0.00 C ATOM 1201 C PRO B 91 1.143 -1.892 6.928 1.00 0.00 C ATOM 1202 O PRO B 91 1.633 -0.889 7.439 1.00 0.00 O ATOM 1203 CB PRO B 91 -0.718 -2.245 5.270 1.00 0.00 C ATOM 1204 CG PRO B 91 -0.787 -3.376 4.289 1.00 0.00 C ATOM 1205 CD PRO B 91 0.557 -3.464 3.624 1.00 0.00 C ATOM 0 HA PRO B 91 1.047 -0.900 5.096 1.00 0.00 H new ATOM 0 HB2 PRO B 91 -1.159 -2.533 6.224 1.00 0.00 H new ATOM 0 HB3 PRO B 91 -1.278 -1.383 4.907 1.00 0.00 H new ATOM 0 HG2 PRO B 91 -1.029 -4.311 4.795 1.00 0.00 H new ATOM 0 HG3 PRO B 91 -1.571 -3.200 3.552 1.00 0.00 H new ATOM 0 HD2 PRO B 91 0.813 -4.492 3.366 1.00 0.00 H new ATOM 0 HD3 PRO B 91 0.588 -2.887 2.700 1.00 0.00 H new ATOM 1213 N CYS B 92 0.892 -2.994 7.626 1.00 0.00 N ATOM 1214 CA CYS B 92 1.193 -3.056 9.052 1.00 0.00 C ATOM 1215 C CYS B 92 2.650 -3.399 9.316 1.00 0.00 C ATOM 1216 O CYS B 92 3.232 -2.965 10.312 1.00 0.00 O ATOM 1217 CB CYS B 92 0.313 -4.085 9.754 1.00 0.00 C ATOM 1218 SG CYS B 92 0.653 -5.813 9.277 1.00 0.00 S ATOM 0 H CYS B 92 0.487 -3.845 7.235 1.00 0.00 H new ATOM 0 HA CYS B 92 0.990 -2.062 9.450 1.00 0.00 H new ATOM 0 HB2 CYS B 92 0.446 -3.985 10.831 1.00 0.00 H new ATOM 0 HB3 CYS B 92 -0.732 -3.860 9.539 1.00 0.00 H new ATOM 1223 N VAL B 93 3.220 -4.209 8.433 1.00 0.00 N ATOM 1224 CA VAL B 93 4.593 -4.664 8.553 1.00 0.00 C ATOM 1225 C VAL B 93 5.583 -3.494 8.571 1.00 0.00 C ATOM 1226 O VAL B 93 6.707 -3.624 9.057 1.00 0.00 O ATOM 1227 CB VAL B 93 4.924 -5.623 7.394 1.00 0.00 C ATOM 1228 CG1 VAL B 93 6.032 -6.560 7.794 1.00 0.00 C ATOM 1229 CG2 VAL B 93 3.700 -6.425 6.979 1.00 0.00 C ATOM 0 H VAL B 93 2.737 -4.569 7.610 1.00 0.00 H new ATOM 0 HA VAL B 93 4.691 -5.188 9.504 1.00 0.00 H new ATOM 0 HB VAL B 93 5.247 -5.022 6.544 1.00 0.00 H new ATOM 0 HG11 VAL B 93 6.256 -7.233 6.966 1.00 0.00 H new ATOM 0 HG12 VAL B 93 6.923 -5.984 8.045 1.00 0.00 H new ATOM 0 HG13 VAL B 93 5.720 -7.143 8.661 1.00 0.00 H new ATOM 0 HG21 VAL B 93 3.964 -7.093 6.159 1.00 0.00 H new ATOM 0 HG22 VAL B 93 3.345 -7.012 7.826 1.00 0.00 H new ATOM 0 HG23 VAL B 93 2.913 -5.745 6.654 1.00 0.00 H new ATOM 1239 N LEU B 94 5.148 -2.353 8.050 1.00 0.00 N ATOM 1240 CA LEU B 94 5.976 -1.153 8.008 1.00 0.00 C ATOM 1241 C LEU B 94 6.328 -0.659 9.416 1.00 0.00 C ATOM 1242 O LEU B 94 7.416 -0.129 9.645 1.00 0.00 O ATOM 1243 CB LEU B 94 5.245 -0.037 7.264 1.00 0.00 C ATOM 1244 CG LEU B 94 6.037 1.263 7.130 1.00 0.00 C ATOM 1245 CD1 LEU B 94 7.064 1.152 6.020 1.00 0.00 C ATOM 1246 CD2 LEU B 94 5.114 2.432 6.876 1.00 0.00 C ATOM 0 H LEU B 94 4.219 -2.233 7.647 1.00 0.00 H new ATOM 0 HA LEU B 94 6.898 -1.413 7.488 1.00 0.00 H new ATOM 0 HB2 LEU B 94 4.984 -0.393 6.267 1.00 0.00 H new ATOM 0 HB3 LEU B 94 4.309 0.175 7.782 1.00 0.00 H new ATOM 0 HG LEU B 94 6.560 1.437 8.070 1.00 0.00 H new ATOM 0 HD11 LEU B 94 7.617 2.088 5.941 1.00 0.00 H new ATOM 0 HD12 LEU B 94 7.755 0.340 6.244 1.00 0.00 H new ATOM 0 HD13 LEU B 94 6.559 0.948 5.076 1.00 0.00 H new ATOM 0 HD21 LEU B 94 5.701 3.346 6.784 1.00 0.00 H new ATOM 0 HD22 LEU B 94 4.559 2.263 5.953 1.00 0.00 H new ATOM 0 HD23 LEU B 94 4.416 2.531 7.707 1.00 0.00 H new ATOM 1258 N ALA B 95 5.388 -0.818 10.348 1.00 0.00 N ATOM 1259 CA ALA B 95 5.575 -0.373 11.730 1.00 0.00 C ATOM 1260 C ALA B 95 6.727 -1.092 12.424 1.00 0.00 C ATOM 1261 O ALA B 95 7.359 -0.538 13.323 1.00 0.00 O ATOM 1262 CB ALA B 95 4.290 -0.567 12.520 1.00 0.00 C ATOM 0 H ALA B 95 4.484 -1.255 10.169 1.00 0.00 H new ATOM 0 HA ALA B 95 5.830 0.686 11.694 1.00 0.00 H new ATOM 0 HB1 ALA B 95 4.440 -0.233 13.547 1.00 0.00 H new ATOM 0 HB2 ALA B 95 3.490 0.015 12.062 1.00 0.00 H new ATOM 0 HB3 ALA B 95 4.018 -1.622 12.518 1.00 0.00 H new ATOM 1268 N ALA B 96 7.001 -2.324 12.014 1.00 0.00 N ATOM 1269 CA ALA B 96 8.085 -3.090 12.618 1.00 0.00 C ATOM 1270 C ALA B 96 9.307 -3.131 11.712 1.00 0.00 C ATOM 1271 O ALA B 96 10.256 -3.871 11.964 1.00 0.00 O ATOM 1272 CB ALA B 96 7.630 -4.501 12.957 1.00 0.00 C ATOM 0 H ALA B 96 6.494 -2.810 11.274 1.00 0.00 H new ATOM 0 HA ALA B 96 8.366 -2.585 13.542 1.00 0.00 H new ATOM 0 HB1 ALA B 96 8.456 -5.052 13.406 1.00 0.00 H new ATOM 0 HB2 ALA B 96 6.799 -4.456 13.661 1.00 0.00 H new ATOM 0 HB3 ALA B 96 7.308 -5.008 12.047 1.00 0.00 H new ATOM 1278 N LEU B 97 9.283 -2.328 10.660 1.00 0.00 N ATOM 1279 CA LEU B 97 10.394 -2.272 9.724 1.00 0.00 C ATOM 1280 C LEU B 97 11.358 -1.153 10.103 1.00 0.00 C ATOM 1281 O LEU B 97 12.559 -1.235 9.835 1.00 0.00 O ATOM 1282 CB LEU B 97 9.869 -2.068 8.303 1.00 0.00 C ATOM 1283 CG LEU B 97 10.926 -2.119 7.200 1.00 0.00 C ATOM 1284 CD1 LEU B 97 11.654 -3.453 7.211 1.00 0.00 C ATOM 1285 CD2 LEU B 97 10.285 -1.878 5.845 1.00 0.00 C ATOM 0 H LEU B 97 8.507 -1.706 10.433 1.00 0.00 H new ATOM 0 HA LEU B 97 10.936 -3.217 9.766 1.00 0.00 H new ATOM 0 HB2 LEU B 97 9.118 -2.831 8.098 1.00 0.00 H new ATOM 0 HB3 LEU B 97 9.365 -1.103 8.255 1.00 0.00 H new ATOM 0 HG LEU B 97 11.655 -1.331 7.388 1.00 0.00 H new ATOM 0 HD11 LEU B 97 12.401 -3.466 6.418 1.00 0.00 H new ATOM 0 HD12 LEU B 97 12.145 -3.592 8.174 1.00 0.00 H new ATOM 0 HD13 LEU B 97 10.939 -4.259 7.049 1.00 0.00 H new ATOM 0 HD21 LEU B 97 11.049 -1.917 5.069 1.00 0.00 H new ATOM 0 HD22 LEU B 97 9.535 -2.646 5.655 1.00 0.00 H new ATOM 0 HD23 LEU B 97 9.809 -0.897 5.837 1.00 0.00 H new ATOM 1297 N LYS B 98 10.832 -0.109 10.734 1.00 0.00 N ATOM 1298 CA LYS B 98 11.658 1.017 11.151 1.00 0.00 C ATOM 1299 C LYS B 98 12.359 0.705 12.467 1.00 0.00 C ATOM 1300 O LYS B 98 11.745 0.766 13.536 1.00 0.00 O ATOM 1301 CB LYS B 98 10.820 2.289 11.309 1.00 0.00 C ATOM 1302 CG LYS B 98 11.650 3.506 11.671 1.00 0.00 C ATOM 1303 CD LYS B 98 10.776 4.671 12.099 1.00 0.00 C ATOM 1304 CE LYS B 98 11.610 5.863 12.522 1.00 0.00 C ATOM 1305 NZ LYS B 98 10.755 6.983 13.010 1.00 0.00 N ATOM 0 H LYS B 98 9.843 -0.019 10.967 1.00 0.00 H new ATOM 0 HA LYS B 98 12.404 1.184 10.374 1.00 0.00 H new ATOM 0 HB2 LYS B 98 10.287 2.484 10.379 1.00 0.00 H new ATOM 0 HB3 LYS B 98 10.067 2.128 12.080 1.00 0.00 H new ATOM 0 HG2 LYS B 98 12.338 3.251 12.477 1.00 0.00 H new ATOM 0 HG3 LYS B 98 12.257 3.801 10.815 1.00 0.00 H new ATOM 0 HD2 LYS B 98 10.121 4.957 11.276 1.00 0.00 H new ATOM 0 HD3 LYS B 98 10.135 4.362 12.925 1.00 0.00 H new ATOM 0 HE2 LYS B 98 12.302 5.563 13.309 1.00 0.00 H new ATOM 0 HE3 LYS B 98 12.212 6.204 11.680 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 11.358 7.783 13.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 10.111 7.285 12.251 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.199 6.664 13.829 1.00 0.00 H new ATOM 1319 N ALA B 99 13.643 0.384 12.385 1.00 0.00 N ATOM 1320 CA ALA B 99 14.436 0.070 13.566 1.00 0.00 C ATOM 1321 C ALA B 99 15.917 0.259 13.273 1.00 0.00 C ATOM 1322 O ALA B 99 16.290 0.686 12.181 1.00 0.00 O ATOM 1323 CB ALA B 99 14.169 -1.356 14.024 1.00 0.00 C ATOM 0 H ALA B 99 14.160 0.334 11.507 1.00 0.00 H new ATOM 0 HA ALA B 99 14.147 0.751 14.366 1.00 0.00 H new ATOM 0 HB1 ALA B 99 14.770 -1.573 14.907 1.00 0.00 H new ATOM 0 HB2 ALA B 99 13.112 -1.468 14.267 1.00 0.00 H new ATOM 0 HB3 ALA B 99 14.433 -2.050 13.226 1.00 0.00 H new ATOM 1329 N ALA B 100 16.758 -0.088 14.243 1.00 0.00 N ATOM 1330 CA ALA B 100 18.205 0.019 14.080 1.00 0.00 C ATOM 1331 C ALA B 100 18.738 -1.172 13.291 1.00 0.00 C ATOM 1332 O ALA B 100 19.940 -1.287 13.041 1.00 0.00 O ATOM 1333 CB ALA B 100 18.886 0.097 15.439 1.00 0.00 C ATOM 0 H ALA B 100 16.462 -0.446 15.151 1.00 0.00 H new ATOM 0 HA ALA B 100 18.426 0.932 13.526 1.00 0.00 H new ATOM 0 HB1 ALA B 100 19.964 0.176 15.302 1.00 0.00 H new ATOM 0 HB2 ALA B 100 18.523 0.972 15.978 1.00 0.00 H new ATOM 0 HB3 ALA B 100 18.659 -0.802 16.012 1.00 0.00 H new ATOM 1339 N GLU B 101 17.823 -2.057 12.915 1.00 0.00 N ATOM 1340 CA GLU B 101 18.151 -3.257 12.166 1.00 0.00 C ATOM 1341 C GLU B 101 17.002 -3.623 11.224 1.00 0.00 C ATOM 1342 O GLU B 101 16.565 -4.771 11.165 1.00 0.00 O ATOM 1343 CB GLU B 101 18.437 -4.398 13.148 1.00 0.00 C ATOM 1344 CG GLU B 101 17.411 -4.505 14.270 1.00 0.00 C ATOM 1345 CD GLU B 101 17.866 -5.407 15.391 1.00 0.00 C ATOM 1346 OE1 GLU B 101 18.194 -6.575 15.119 1.00 0.00 O ATOM 1347 OE2 GLU B 101 17.885 -4.947 16.551 1.00 0.00 O ATOM 0 H GLU B 101 16.829 -1.959 13.123 1.00 0.00 H new ATOM 0 HA GLU B 101 19.038 -3.080 11.558 1.00 0.00 H new ATOM 0 HB2 GLU B 101 18.464 -5.340 12.600 1.00 0.00 H new ATOM 0 HB3 GLU B 101 19.426 -4.253 13.583 1.00 0.00 H new ATOM 0 HG2 GLU B 101 17.209 -3.511 14.668 1.00 0.00 H new ATOM 0 HG3 GLU B 101 16.472 -4.882 13.864 1.00 0.00 H new ATOM 1354 N GLY B 102 16.500 -2.630 10.497 1.00 0.00 N ATOM 1355 CA GLY B 102 15.393 -2.873 9.591 1.00 0.00 C ATOM 1356 C GLY B 102 15.809 -2.936 8.134 1.00 0.00 C ATOM 1357 O GLY B 102 15.351 -3.815 7.398 1.00 0.00 O ATOM 0 H GLY B 102 16.837 -1.668 10.518 1.00 0.00 H new ATOM 0 HA2 GLY B 102 14.909 -3.811 9.864 1.00 0.00 H new ATOM 0 HA3 GLY B 102 14.651 -2.084 9.716 1.00 0.00 H new ATOM 1361 N CYS B 103 16.658 -1.991 7.714 1.00 0.00 N ATOM 1362 CA CYS B 103 17.142 -1.903 6.326 1.00 0.00 C ATOM 1363 C CYS B 103 16.060 -1.335 5.406 1.00 0.00 C ATOM 1364 O CYS B 103 16.310 -0.372 4.682 1.00 0.00 O ATOM 1365 CB CYS B 103 17.632 -3.260 5.810 1.00 0.00 C ATOM 1366 SG CYS B 103 19.351 -3.251 5.208 1.00 0.00 S ATOM 0 H CYS B 103 17.031 -1.264 8.325 1.00 0.00 H new ATOM 0 HA CYS B 103 17.993 -1.221 6.321 1.00 0.00 H new ATOM 0 HB2 CYS B 103 17.543 -3.995 6.610 1.00 0.00 H new ATOM 0 HB3 CYS B 103 16.977 -3.587 5.002 1.00 0.00 H new ATOM 1371 N ALA B 104 14.857 -1.923 5.470 1.00 0.00 N ATOM 1372 CA ALA B 104 13.691 -1.486 4.687 1.00 0.00 C ATOM 1373 C ALA B 104 13.802 -1.780 3.188 1.00 0.00 C ATOM 1374 O ALA B 104 12.948 -2.475 2.634 1.00 0.00 O ATOM 1375 CB ALA B 104 13.415 -0.008 4.915 1.00 0.00 C ATOM 0 H ALA B 104 14.664 -2.723 6.072 1.00 0.00 H new ATOM 0 HA ALA B 104 12.852 -2.079 5.051 1.00 0.00 H new ATOM 0 HB1 ALA B 104 12.549 0.295 4.327 1.00 0.00 H new ATOM 0 HB2 ALA B 104 13.215 0.166 5.972 1.00 0.00 H new ATOM 0 HB3 ALA B 104 14.283 0.576 4.609 1.00 0.00 H new ATOM 1381 N SER B 105 14.826 -1.229 2.535 1.00 0.00 N ATOM 1382 CA SER B 105 15.031 -1.403 1.092 1.00 0.00 C ATOM 1383 C SER B 105 14.966 -2.866 0.655 1.00 0.00 C ATOM 1384 O SER B 105 14.345 -3.182 -0.360 1.00 0.00 O ATOM 1385 CB SER B 105 16.367 -0.791 0.675 1.00 0.00 C ATOM 1386 OG SER B 105 17.410 -1.202 1.543 1.00 0.00 O ATOM 0 H SER B 105 15.535 -0.652 2.987 1.00 0.00 H new ATOM 0 HA SER B 105 14.213 -0.885 0.591 1.00 0.00 H new ATOM 0 HB2 SER B 105 16.603 -1.087 -0.347 1.00 0.00 H new ATOM 0 HB3 SER B 105 16.291 0.296 0.683 1.00 0.00 H new ATOM 0 HG SER B 105 18.255 -0.798 1.254 1.00 0.00 H new ATOM 1392 N CYS B 106 15.607 -3.747 1.421 1.00 0.00 N ATOM 1393 CA CYS B 106 15.623 -5.181 1.114 1.00 0.00 C ATOM 1394 C CYS B 106 14.214 -5.730 0.908 1.00 0.00 C ATOM 1395 O CYS B 106 13.955 -6.480 -0.033 1.00 0.00 O ATOM 1396 CB CYS B 106 16.307 -5.961 2.242 1.00 0.00 C ATOM 1397 SG CYS B 106 15.626 -7.637 2.481 1.00 0.00 S ATOM 0 H CYS B 106 16.125 -3.494 2.263 1.00 0.00 H new ATOM 0 HA CYS B 106 16.181 -5.306 0.186 1.00 0.00 H new ATOM 0 HB2 CYS B 106 17.373 -6.037 2.027 1.00 0.00 H new ATOM 0 HB3 CYS B 106 16.209 -5.401 3.172 1.00 0.00 H new ATOM 1402 N PHE B 107 13.313 -5.361 1.804 1.00 0.00 N ATOM 1403 CA PHE B 107 11.938 -5.822 1.738 1.00 0.00 C ATOM 1404 C PHE B 107 11.164 -5.099 0.648 1.00 0.00 C ATOM 1405 O PHE B 107 10.645 -5.722 -0.277 1.00 0.00 O ATOM 1406 CB PHE B 107 11.257 -5.615 3.098 1.00 0.00 C ATOM 1407 CG PHE B 107 9.814 -6.042 3.149 1.00 0.00 C ATOM 1408 CD1 PHE B 107 8.812 -5.258 2.594 1.00 0.00 C ATOM 1409 CD2 PHE B 107 9.462 -7.231 3.754 1.00 0.00 C ATOM 1410 CE1 PHE B 107 7.492 -5.653 2.647 1.00 0.00 C ATOM 1411 CE2 PHE B 107 8.144 -7.631 3.812 1.00 0.00 C ATOM 1412 CZ PHE B 107 7.155 -6.839 3.258 1.00 0.00 C ATOM 0 H PHE B 107 13.512 -4.740 2.589 1.00 0.00 H new ATOM 0 HA PHE B 107 11.945 -6.884 1.493 1.00 0.00 H new ATOM 0 HB2 PHE B 107 11.813 -6.168 3.855 1.00 0.00 H new ATOM 0 HB3 PHE B 107 11.319 -4.560 3.364 1.00 0.00 H new ATOM 0 HD1 PHE B 107 9.070 -4.326 2.114 1.00 0.00 H new ATOM 0 HD2 PHE B 107 10.229 -7.856 4.188 1.00 0.00 H new ATOM 0 HE1 PHE B 107 6.724 -5.033 2.210 1.00 0.00 H new ATOM 0 HE2 PHE B 107 7.884 -8.564 4.290 1.00 0.00 H new ATOM 0 HZ PHE B 107 6.122 -7.150 3.305 1.00 0.00 H new ATOM 1422 N CYS B 108 11.065 -3.787 0.783 1.00 0.00 N ATOM 1423 CA CYS B 108 10.319 -2.969 -0.162 1.00 0.00 C ATOM 1424 C CYS B 108 11.085 -2.694 -1.442 1.00 0.00 C ATOM 1425 O CYS B 108 11.070 -1.576 -1.929 1.00 0.00 O ATOM 1426 CB CYS B 108 9.965 -1.637 0.478 1.00 0.00 C ATOM 1427 SG CYS B 108 9.142 -1.778 2.090 1.00 0.00 S ATOM 0 H CYS B 108 11.495 -3.261 1.544 1.00 0.00 H new ATOM 0 HA CYS B 108 9.424 -3.535 -0.420 1.00 0.00 H new ATOM 0 HB2 CYS B 108 10.876 -1.051 0.599 1.00 0.00 H new ATOM 0 HB3 CYS B 108 9.317 -1.082 -0.200 1.00 0.00 H new ATOM 1432 N GLU B 109 11.738 -3.690 -2.002 1.00 0.00 N ATOM 1433 CA GLU B 109 12.471 -3.477 -3.235 1.00 0.00 C ATOM 1434 C GLU B 109 11.483 -3.378 -4.394 1.00 0.00 C ATOM 1435 O GLU B 109 11.486 -2.411 -5.156 1.00 0.00 O ATOM 1436 CB GLU B 109 13.471 -4.615 -3.466 1.00 0.00 C ATOM 1437 CG GLU B 109 14.433 -4.384 -4.625 1.00 0.00 C ATOM 1438 CD GLU B 109 15.282 -3.144 -4.455 1.00 0.00 C ATOM 1439 OE1 GLU B 109 14.740 -2.029 -4.586 1.00 0.00 O ATOM 1440 OE2 GLU B 109 16.486 -3.282 -4.174 1.00 0.00 O ATOM 0 H GLU B 109 11.778 -4.640 -1.632 1.00 0.00 H new ATOM 0 HA GLU B 109 13.035 -2.547 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU B 109 14.049 -4.764 -2.554 1.00 0.00 H new ATOM 0 HB3 GLU B 109 12.918 -5.537 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU B 109 15.085 -5.252 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU B 109 13.864 -4.303 -5.551 1.00 0.00 H new ATOM 1447 N ASP B 110 10.612 -4.376 -4.494 1.00 0.00 N ATOM 1448 CA ASP B 110 9.585 -4.399 -5.528 1.00 0.00 C ATOM 1449 C ASP B 110 8.250 -4.004 -4.902 1.00 0.00 C ATOM 1450 O ASP B 110 7.180 -4.182 -5.485 1.00 0.00 O ATOM 1451 CB ASP B 110 9.485 -5.796 -6.154 1.00 0.00 C ATOM 1452 CG ASP B 110 8.775 -5.790 -7.490 1.00 0.00 C ATOM 1453 OD1 ASP B 110 8.469 -4.695 -7.998 1.00 0.00 O ATOM 1454 OD2 ASP B 110 8.542 -6.881 -8.045 1.00 0.00 O ATOM 0 H ASP B 110 10.597 -5.182 -3.869 1.00 0.00 H new ATOM 0 HA ASP B 110 9.846 -3.694 -6.317 1.00 0.00 H new ATOM 0 HB2 ASP B 110 10.487 -6.204 -6.282 1.00 0.00 H new ATOM 0 HB3 ASP B 110 8.956 -6.459 -5.469 1.00 0.00 H new ATOM 1459 N HIS B 111 8.331 -3.479 -3.685 1.00 0.00 N ATOM 1460 CA HIS B 111 7.148 -3.068 -2.940 1.00 0.00 C ATOM 1461 C HIS B 111 7.203 -1.576 -2.621 1.00 0.00 C ATOM 1462 O HIS B 111 7.163 -1.172 -1.455 1.00 0.00 O ATOM 1463 CB HIS B 111 7.037 -3.882 -1.646 1.00 0.00 C ATOM 1464 CG HIS B 111 7.045 -5.365 -1.867 1.00 0.00 C ATOM 1465 ND1 HIS B 111 7.952 -6.312 -1.522 1.00 0.00 N flip ATOM 1466 CD2 HIS B 111 6.039 -6.028 -2.530 1.00 0.00 C flip ATOM 1467 CE1 HIS B 111 7.474 -7.519 -1.977 1.00 0.00 C flip ATOM 1468 NE2 HIS B 111 6.318 -7.316 -2.582 1.00 0.00 N flip ATOM 0 H HIS B 111 9.210 -3.327 -3.191 1.00 0.00 H new ATOM 0 HA HIS B 111 6.268 -3.254 -3.555 1.00 0.00 H new ATOM 0 HB2 HIS B 111 7.864 -3.617 -0.988 1.00 0.00 H new ATOM 0 HB3 HIS B 111 6.118 -3.605 -1.130 1.00 0.00 H new ATOM 0 HD1 HIS B 111 8.826 -6.158 -1.019 1.00 0.00 H new ATOM 0 HD2 HIS B 111 5.156 -5.565 -2.945 1.00 0.00 H new ATOM 0 HE1 HIS B 111 7.963 -8.475 -1.859 1.00 0.00 H new ATOM 1476 N CYS B 112 7.295 -0.760 -3.660 1.00 0.00 N ATOM 1477 CA CYS B 112 7.351 0.688 -3.496 1.00 0.00 C ATOM 1478 C CYS B 112 6.068 1.319 -4.007 1.00 0.00 C ATOM 1479 O CYS B 112 6.085 2.089 -4.965 1.00 0.00 O ATOM 1480 CB CYS B 112 8.541 1.268 -4.259 1.00 0.00 C ATOM 1481 SG CYS B 112 10.149 0.596 -3.749 1.00 0.00 S ATOM 0 H CYS B 112 7.333 -1.075 -4.629 1.00 0.00 H new ATOM 0 HA CYS B 112 7.468 0.909 -2.435 1.00 0.00 H new ATOM 0 HB2 CYS B 112 8.402 1.080 -5.324 1.00 0.00 H new ATOM 0 HB3 CYS B 112 8.552 2.350 -4.125 1.00 0.00 H new ATOM 1486 N HIS B 113 4.949 0.967 -3.394 1.00 0.00 N ATOM 1487 CA HIS B 113 3.669 1.485 -3.833 1.00 0.00 C ATOM 1488 C HIS B 113 2.758 1.874 -2.668 1.00 0.00 C ATOM 1489 O HIS B 113 1.765 2.573 -2.859 1.00 0.00 O ATOM 1490 CB HIS B 113 2.989 0.445 -4.728 1.00 0.00 C ATOM 1491 CG HIS B 113 2.563 -0.814 -4.029 1.00 0.00 C ATOM 1492 ND1 HIS B 113 3.172 -1.303 -2.892 1.00 0.00 N ATOM 1493 CD2 HIS B 113 1.583 -1.692 -4.334 1.00 0.00 C ATOM 1494 CE1 HIS B 113 2.580 -2.427 -2.529 1.00 0.00 C ATOM 1495 NE2 HIS B 113 1.611 -2.687 -3.390 1.00 0.00 N ATOM 0 H HIS B 113 4.903 0.330 -2.598 1.00 0.00 H new ATOM 0 HA HIS B 113 3.852 2.401 -4.395 1.00 0.00 H new ATOM 0 HB2 HIS B 113 2.113 0.901 -5.188 1.00 0.00 H new ATOM 0 HB3 HIS B 113 3.672 0.181 -5.536 1.00 0.00 H new ATOM 0 HD2 HIS B 113 0.901 -1.623 -5.169 1.00 0.00 H new ATOM 0 HE1 HIS B 113 2.843 -3.031 -1.673 1.00 0.00 H new ATOM 0 HE2 HIS B 113 0.988 -3.494 -3.358 1.00 0.00 H new ATOM 1503 N GLY B 114 3.080 1.414 -1.465 1.00 0.00 N ATOM 1504 CA GLY B 114 2.244 1.733 -0.324 1.00 0.00 C ATOM 1505 C GLY B 114 2.967 2.487 0.774 1.00 0.00 C ATOM 1506 O GLY B 114 3.832 3.314 0.506 1.00 0.00 O ATOM 0 H GLY B 114 3.894 0.834 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY B 114 1.396 2.328 -0.662 1.00 0.00 H new ATOM 0 HA3 GLY B 114 1.840 0.808 0.088 1.00 0.00 H new ATOM 1510 N VAL B 115 2.584 2.194 2.014 1.00 0.00 N ATOM 1511 CA VAL B 115 3.147 2.828 3.212 1.00 0.00 C ATOM 1512 C VAL B 115 4.682 2.917 3.216 1.00 0.00 C ATOM 1513 O VAL B 115 5.253 3.804 3.850 1.00 0.00 O ATOM 1514 CB VAL B 115 2.704 2.057 4.479 1.00 0.00 C ATOM 1515 CG1 VAL B 115 1.210 2.194 4.716 1.00 0.00 C ATOM 1516 CG2 VAL B 115 3.078 0.587 4.374 1.00 0.00 C ATOM 0 H VAL B 115 1.865 1.501 2.222 1.00 0.00 H new ATOM 0 HA VAL B 115 2.763 3.848 3.206 1.00 0.00 H new ATOM 0 HB VAL B 115 3.228 2.496 5.328 1.00 0.00 H new ATOM 0 HG11 VAL B 115 0.932 1.641 5.613 1.00 0.00 H new ATOM 0 HG12 VAL B 115 0.957 3.246 4.845 1.00 0.00 H new ATOM 0 HG13 VAL B 115 0.668 1.793 3.860 1.00 0.00 H new ATOM 0 HG21 VAL B 115 2.757 0.065 5.275 1.00 0.00 H new ATOM 0 HG22 VAL B 115 2.587 0.148 3.506 1.00 0.00 H new ATOM 0 HG23 VAL B 115 4.159 0.493 4.266 1.00 0.00 H new ATOM 1526 N CYS B 116 5.348 1.983 2.548 1.00 0.00 N ATOM 1527 CA CYS B 116 6.808 1.958 2.536 1.00 0.00 C ATOM 1528 C CYS B 116 7.422 3.094 1.712 1.00 0.00 C ATOM 1529 O CYS B 116 8.437 3.665 2.109 1.00 0.00 O ATOM 1530 CB CYS B 116 7.305 0.613 2.023 1.00 0.00 C ATOM 1531 SG CYS B 116 8.944 0.153 2.659 1.00 0.00 S ATOM 0 H CYS B 116 4.906 1.237 2.011 1.00 0.00 H new ATOM 0 HA CYS B 116 7.132 2.106 3.566 1.00 0.00 H new ATOM 0 HB2 CYS B 116 6.587 -0.160 2.299 1.00 0.00 H new ATOM 0 HB3 CYS B 116 7.341 0.640 0.934 1.00 0.00 H new ATOM 1536 N LYS B 117 6.825 3.429 0.568 1.00 0.00 N ATOM 1537 CA LYS B 117 7.367 4.509 -0.266 1.00 0.00 C ATOM 1538 C LYS B 117 7.016 5.876 0.306 1.00 0.00 C ATOM 1539 O LYS B 117 7.593 6.887 -0.085 1.00 0.00 O ATOM 1540 CB LYS B 117 6.896 4.396 -1.729 1.00 0.00 C ATOM 1541 CG LYS B 117 5.396 4.170 -1.919 1.00 0.00 C ATOM 1542 CD LYS B 117 4.557 5.422 -1.659 1.00 0.00 C ATOM 1543 CE LYS B 117 4.737 6.479 -2.743 1.00 0.00 C ATOM 1544 NZ LYS B 117 3.874 7.670 -2.501 1.00 0.00 N ATOM 0 H LYS B 117 5.985 2.982 0.201 1.00 0.00 H new ATOM 0 HA LYS B 117 8.452 4.403 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS B 117 7.178 5.308 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS B 117 7.433 3.575 -2.203 1.00 0.00 H new ATOM 0 HG2 LYS B 117 5.214 3.824 -2.937 1.00 0.00 H new ATOM 0 HG3 LYS B 117 5.068 3.376 -1.249 1.00 0.00 H new ATOM 0 HD2 LYS B 117 3.505 5.144 -1.598 1.00 0.00 H new ATOM 0 HD3 LYS B 117 4.832 5.846 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS B 117 5.782 6.788 -2.780 1.00 0.00 H new ATOM 0 HE3 LYS B 117 4.498 6.048 -3.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 4.024 8.367 -3.258 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 2.876 7.379 -2.491 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 4.120 8.096 -1.585 1.00 0.00 H new ATOM 1558 N ASP B 118 6.067 5.892 1.232 1.00 0.00 N ATOM 1559 CA ASP B 118 5.630 7.130 1.861 1.00 0.00 C ATOM 1560 C ASP B 118 6.718 7.681 2.778 1.00 0.00 C ATOM 1561 O ASP B 118 6.925 8.892 2.856 1.00 0.00 O ATOM 1562 CB ASP B 118 4.338 6.882 2.643 1.00 0.00 C ATOM 1563 CG ASP B 118 3.678 8.158 3.105 1.00 0.00 C ATOM 1564 OD1 ASP B 118 4.162 8.769 4.077 1.00 0.00 O ATOM 1565 OD2 ASP B 118 2.671 8.558 2.488 1.00 0.00 O ATOM 0 H ASP B 118 5.584 5.058 1.565 1.00 0.00 H new ATOM 0 HA ASP B 118 5.437 7.872 1.086 1.00 0.00 H new ATOM 0 HB2 ASP B 118 3.641 6.325 2.017 1.00 0.00 H new ATOM 0 HB3 ASP B 118 4.558 6.258 3.509 1.00 0.00 H new ATOM 1570 N LEU B 119 7.418 6.785 3.465 1.00 0.00 N ATOM 1571 CA LEU B 119 8.489 7.181 4.375 1.00 0.00 C ATOM 1572 C LEU B 119 9.853 7.131 3.687 1.00 0.00 C ATOM 1573 O LEU B 119 10.885 7.314 4.334 1.00 0.00 O ATOM 1574 CB LEU B 119 8.496 6.277 5.610 1.00 0.00 C ATOM 1575 CG LEU B 119 7.218 6.312 6.454 1.00 0.00 C ATOM 1576 CD1 LEU B 119 7.342 5.372 7.643 1.00 0.00 C ATOM 1577 CD2 LEU B 119 6.928 7.730 6.921 1.00 0.00 C ATOM 0 H LEU B 119 7.264 5.778 3.410 1.00 0.00 H new ATOM 0 HA LEU B 119 8.301 8.210 4.681 1.00 0.00 H new ATOM 0 HB2 LEU B 119 8.671 5.251 5.288 1.00 0.00 H new ATOM 0 HB3 LEU B 119 9.337 6.560 6.242 1.00 0.00 H new ATOM 0 HG LEU B 119 6.385 5.977 5.836 1.00 0.00 H new ATOM 0 HD11 LEU B 119 6.426 5.408 8.233 1.00 0.00 H new ATOM 0 HD12 LEU B 119 7.504 4.355 7.287 1.00 0.00 H new ATOM 0 HD13 LEU B 119 8.185 5.678 8.263 1.00 0.00 H new ATOM 0 HD21 LEU B 119 6.017 7.737 7.519 1.00 0.00 H new ATOM 0 HD22 LEU B 119 7.761 8.092 7.524 1.00 0.00 H new ATOM 0 HD23 LEU B 119 6.798 8.379 6.055 1.00 0.00 H new ATOM 1589 N HIS B 120 9.840 6.888 2.375 1.00 0.00 N ATOM 1590 CA HIS B 120 11.064 6.812 1.566 1.00 0.00 C ATOM 1591 C HIS B 120 11.988 5.697 2.058 1.00 0.00 C ATOM 1592 O HIS B 120 13.060 5.965 2.606 1.00 0.00 O ATOM 1593 CB HIS B 120 11.819 8.153 1.572 1.00 0.00 C ATOM 1594 CG HIS B 120 11.065 9.288 0.947 1.00 0.00 C ATOM 1595 ND1 HIS B 120 11.522 10.588 0.958 1.00 0.00 N ATOM 1596 CD2 HIS B 120 9.887 9.314 0.280 1.00 0.00 C ATOM 1597 CE1 HIS B 120 10.657 11.366 0.329 1.00 0.00 C ATOM 1598 NE2 HIS B 120 9.655 10.615 -0.094 1.00 0.00 N ATOM 0 H HIS B 120 8.984 6.738 1.842 1.00 0.00 H new ATOM 0 HA HIS B 120 10.759 6.586 0.544 1.00 0.00 H new ATOM 0 HB2 HIS B 120 12.061 8.416 2.602 1.00 0.00 H new ATOM 0 HB3 HIS B 120 12.765 8.027 1.045 1.00 0.00 H new ATOM 0 HD2 HIS B 120 9.247 8.467 0.079 1.00 0.00 H new ATOM 0 HE1 HIS B 120 10.753 12.432 0.186 1.00 0.00 H new ATOM 0 HE2 HIS B 120 8.842 10.947 -0.613 1.00 0.00 H new ATOM 1606 N LEU B 121 11.571 4.448 1.869 1.00 0.00 N ATOM 1607 CA LEU B 121 12.369 3.310 2.306 1.00 0.00 C ATOM 1608 C LEU B 121 12.901 2.496 1.125 1.00 0.00 C ATOM 1609 O LEU B 121 13.574 1.482 1.312 1.00 0.00 O ATOM 1610 CB LEU B 121 11.561 2.431 3.264 1.00 0.00 C ATOM 1611 CG LEU B 121 11.149 3.128 4.568 1.00 0.00 C ATOM 1612 CD1 LEU B 121 10.307 2.212 5.437 1.00 0.00 C ATOM 1613 CD2 LEU B 121 12.379 3.598 5.331 1.00 0.00 C ATOM 0 H LEU B 121 10.690 4.201 1.419 1.00 0.00 H new ATOM 0 HA LEU B 121 13.237 3.698 2.838 1.00 0.00 H new ATOM 0 HB2 LEU B 121 10.663 2.086 2.751 1.00 0.00 H new ATOM 0 HB3 LEU B 121 12.148 1.546 3.509 1.00 0.00 H new ATOM 0 HG LEU B 121 10.544 3.996 4.308 1.00 0.00 H new ATOM 0 HD11 LEU B 121 10.030 2.733 6.354 1.00 0.00 H new ATOM 0 HD12 LEU B 121 9.405 1.925 4.896 1.00 0.00 H new ATOM 0 HD13 LEU B 121 10.880 1.319 5.686 1.00 0.00 H new ATOM 0 HD21 LEU B 121 12.069 4.090 6.253 1.00 0.00 H new ATOM 0 HD22 LEU B 121 13.008 2.741 5.571 1.00 0.00 H new ATOM 0 HD23 LEU B 121 12.942 4.300 4.716 1.00 0.00 H new ATOM 1625 N CYS B 122 12.627 2.963 -0.086 1.00 0.00 N ATOM 1626 CA CYS B 122 13.111 2.304 -1.296 1.00 0.00 C ATOM 1627 C CYS B 122 13.122 3.290 -2.452 1.00 0.00 C ATOM 1628 O CYS B 122 12.498 4.360 -2.315 1.00 0.00 O ATOM 1629 CB CYS B 122 12.263 1.085 -1.677 1.00 0.00 C ATOM 1630 SG CYS B 122 10.495 1.436 -1.934 1.00 0.00 S ATOM 1631 OXT CYS B 122 13.752 2.993 -3.484 1.00 0.00 O ATOM 0 H CYS B 122 12.070 3.800 -0.259 1.00 0.00 H new ATOM 0 HA CYS B 122 14.122 1.953 -1.088 1.00 0.00 H new ATOM 0 HB2 CYS B 122 12.669 0.648 -2.590 1.00 0.00 H new ATOM 0 HB3 CYS B 122 12.360 0.333 -0.894 1.00 0.00 H new TER 1636 CYS B 122