USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=11 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+ -111:sc= 0.0591 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00866) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 149:sc= -0.938 (180deg=-2.45!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= 1.29 (180deg=1.03) USER MOD Single : A 44 SER OG : rot -88:sc= -1.25! USER MOD Single : A 50 HIS :FLIP no HE2:sc= 0.58 F(o=-1.8!,f=0.58) USER MOD Single : A 52 HIS : no HD1:sc= -2.05 X(o=-2,f=-1.7) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 K(o=0,f=-1.8!) USER MOD Single : B 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot -130:sc= -0.0429 USER MOD Single : B 70 LYS NZ :NH3+ 161:sc= -0.0506 (180deg=-0.417) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 105 SER OG : rot 132:sc= -0.777 USER MOD Single : B 111 HIS :FLIP no HE2:sc= 0.175 F(o=-0.64,f=0.17) USER MOD Single : B 113 HIS : no HD1:sc= -0.678 K(o=-0.68,f=-4) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 HIS : no HD1:sc= -0.0509 K(o=-0.051,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -32.094 -4.615 3.408 1.00 0.00 N ATOM 2 CA ALA A 1 -30.666 -4.418 3.756 1.00 0.00 C ATOM 3 C ALA A 1 -29.780 -4.778 2.574 1.00 0.00 C ATOM 4 O ALA A 1 -30.157 -5.597 1.734 1.00 0.00 O ATOM 5 CB ALA A 1 -30.286 -5.253 4.970 1.00 0.00 C ATOM 0 H1 ALA A 1 -32.568 -3.691 3.350 1.00 0.00 H new ATOM 0 H2 ALA A 1 -32.164 -5.098 2.490 1.00 0.00 H new ATOM 0 H3 ALA A 1 -32.553 -5.194 4.140 1.00 0.00 H new ATOM 0 HA ALA A 1 -30.517 -3.367 4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -29.234 -5.093 5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -30.899 -4.957 5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -30.452 -6.308 4.752 1.00 0.00 H new ATOM 13 N MET A 2 -28.605 -4.168 2.508 1.00 0.00 N ATOM 14 CA MET A 2 -27.674 -4.431 1.418 1.00 0.00 C ATOM 15 C MET A 2 -26.590 -5.403 1.858 1.00 0.00 C ATOM 16 O MET A 2 -26.128 -5.351 3.001 1.00 0.00 O ATOM 17 CB MET A 2 -27.003 -3.137 0.936 1.00 0.00 C ATOM 18 CG MET A 2 -27.955 -1.975 0.690 1.00 0.00 C ATOM 19 SD MET A 2 -28.475 -1.171 2.220 1.00 0.00 S ATOM 20 CE MET A 2 -29.290 0.289 1.585 1.00 0.00 C ATOM 0 H MET A 2 -28.274 -3.489 3.194 1.00 0.00 H new ATOM 0 HA MET A 2 -28.251 -4.865 0.601 1.00 0.00 H new ATOM 0 HB2 MET A 2 -26.263 -2.831 1.676 1.00 0.00 H new ATOM 0 HB3 MET A 2 -26.463 -3.347 0.013 1.00 0.00 H new ATOM 0 HG2 MET A 2 -27.470 -1.242 0.045 1.00 0.00 H new ATOM 0 HG3 MET A 2 -28.834 -2.337 0.156 1.00 0.00 H new ATOM 0 HE1 MET A 2 -29.665 0.887 2.416 1.00 0.00 H new ATOM 0 HE2 MET A 2 -28.580 0.879 1.005 1.00 0.00 H new ATOM 0 HE3 MET A 2 -30.122 -0.008 0.947 1.00 0.00 H new ATOM 30 N GLY A 3 -26.161 -6.261 0.942 1.00 0.00 N ATOM 31 CA GLY A 3 -25.100 -7.202 1.252 1.00 0.00 C ATOM 32 C GLY A 3 -23.762 -6.506 1.218 1.00 0.00 C ATOM 33 O GLY A 3 -23.225 -6.258 0.135 1.00 0.00 O ATOM 0 H GLY A 3 -26.527 -6.323 -0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -25.267 -7.638 2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -25.110 -8.022 0.534 1.00 0.00 H new ATOM 37 N LYS A 4 -23.258 -6.144 2.403 1.00 0.00 N ATOM 38 CA LYS A 4 -21.998 -5.409 2.538 1.00 0.00 C ATOM 39 C LYS A 4 -22.185 -4.002 1.969 1.00 0.00 C ATOM 40 O LYS A 4 -22.510 -3.071 2.701 1.00 0.00 O ATOM 41 CB LYS A 4 -20.837 -6.142 1.849 1.00 0.00 C ATOM 42 CG LYS A 4 -20.527 -7.501 2.461 1.00 0.00 C ATOM 43 CD LYS A 4 -19.270 -8.105 1.852 1.00 0.00 C ATOM 44 CE LYS A 4 -18.884 -9.416 2.524 1.00 0.00 C ATOM 45 NZ LYS A 4 -19.871 -10.496 2.260 1.00 0.00 N ATOM 0 H LYS A 4 -23.712 -6.352 3.293 1.00 0.00 H new ATOM 0 HA LYS A 4 -21.736 -5.341 3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -21.076 -6.274 0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -19.944 -5.518 1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -20.398 -7.397 3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -21.370 -8.174 2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.429 -8.276 0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.447 -7.396 1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -17.902 -9.729 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.799 -9.259 3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.541 -11.382 2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.791 -10.232 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.972 -10.631 1.234 1.00 0.00 H new ATOM 59 N CYS A 5 -22.037 -3.869 0.660 1.00 0.00 N ATOM 60 CA CYS A 5 -22.249 -2.595 -0.016 1.00 0.00 C ATOM 61 C CYS A 5 -22.500 -2.846 -1.497 1.00 0.00 C ATOM 62 O CYS A 5 -22.347 -1.949 -2.329 1.00 0.00 O ATOM 63 CB CYS A 5 -21.061 -1.645 0.168 1.00 0.00 C ATOM 64 SG CYS A 5 -19.613 -2.041 -0.862 1.00 0.00 S ATOM 0 H CYS A 5 -21.769 -4.633 0.039 1.00 0.00 H new ATOM 0 HA CYS A 5 -23.119 -2.113 0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -21.385 -0.629 -0.058 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -20.760 -1.658 1.216 1.00 0.00 H new ATOM 69 N SER A 6 -22.894 -4.085 -1.806 1.00 0.00 N ATOM 70 CA SER A 6 -23.182 -4.507 -3.175 1.00 0.00 C ATOM 71 C SER A 6 -21.923 -4.463 -4.041 1.00 0.00 C ATOM 72 O SER A 6 -21.896 -3.820 -5.091 1.00 0.00 O ATOM 73 CB SER A 6 -24.287 -3.635 -3.782 1.00 0.00 C ATOM 74 OG SER A 6 -25.411 -3.562 -2.915 1.00 0.00 O ATOM 0 H SER A 6 -23.021 -4.822 -1.112 1.00 0.00 H new ATOM 0 HA SER A 6 -23.531 -5.539 -3.145 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.902 -2.633 -3.970 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.592 -4.045 -4.745 1.00 0.00 H new ATOM 0 HG SER A 6 -26.102 -2.999 -3.322 1.00 0.00 H new ATOM 80 N VAL A 7 -20.878 -5.159 -3.602 1.00 0.00 N ATOM 81 CA VAL A 7 -19.623 -5.199 -4.345 1.00 0.00 C ATOM 82 C VAL A 7 -19.633 -6.307 -5.392 1.00 0.00 C ATOM 83 O VAL A 7 -18.811 -6.308 -6.310 1.00 0.00 O ATOM 84 CB VAL A 7 -18.397 -5.380 -3.419 1.00 0.00 C ATOM 85 CG1 VAL A 7 -17.583 -4.096 -3.350 1.00 0.00 C ATOM 86 CG2 VAL A 7 -18.824 -5.800 -2.023 1.00 0.00 C ATOM 0 H VAL A 7 -20.875 -5.701 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 7 -19.535 -4.233 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.775 -6.170 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.725 -4.244 -2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -17.235 -3.832 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -18.205 -3.291 -2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -17.942 -5.920 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -19.474 -5.036 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -19.363 -6.746 -2.077 1.00 0.00 H new ATOM 96 N LEU A 8 -20.570 -7.243 -5.264 1.00 0.00 N ATOM 97 CA LEU A 8 -20.672 -8.335 -6.221 1.00 0.00 C ATOM 98 C LEU A 8 -21.132 -7.807 -7.572 1.00 0.00 C ATOM 99 O LEU A 8 -20.689 -8.283 -8.617 1.00 0.00 O ATOM 100 CB LEU A 8 -21.606 -9.448 -5.706 1.00 0.00 C ATOM 101 CG LEU A 8 -22.986 -9.001 -5.194 1.00 0.00 C ATOM 102 CD1 LEU A 8 -23.991 -8.919 -6.332 1.00 0.00 C ATOM 103 CD2 LEU A 8 -23.496 -9.952 -4.121 1.00 0.00 C ATOM 0 H LEU A 8 -21.262 -7.266 -4.515 1.00 0.00 H new ATOM 0 HA LEU A 8 -19.683 -8.778 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -21.757 -10.167 -6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -21.097 -9.975 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 8 -22.872 -8.008 -4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -24.958 -8.601 -5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -23.644 -8.199 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -24.093 -9.899 -6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -24.473 -9.617 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -23.583 -10.956 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -22.798 -9.965 -3.284 1.00 0.00 H new ATOM 115 N LYS A 9 -21.998 -6.801 -7.546 1.00 0.00 N ATOM 116 CA LYS A 9 -22.490 -6.195 -8.766 1.00 0.00 C ATOM 117 C LYS A 9 -21.569 -5.067 -9.207 1.00 0.00 C ATOM 118 O LYS A 9 -21.810 -4.402 -10.211 1.00 0.00 O ATOM 119 CB LYS A 9 -23.926 -5.709 -8.584 1.00 0.00 C ATOM 120 CG LYS A 9 -24.213 -5.035 -7.250 1.00 0.00 C ATOM 121 CD LYS A 9 -25.654 -5.258 -6.783 1.00 0.00 C ATOM 122 CE LYS A 9 -26.686 -4.601 -7.697 1.00 0.00 C ATOM 123 NZ LYS A 9 -26.851 -5.316 -8.996 1.00 0.00 N ATOM 0 H LYS A 9 -22.371 -6.391 -6.690 1.00 0.00 H new ATOM 0 HA LYS A 9 -22.495 -6.948 -9.554 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -24.161 -5.009 -9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -24.598 -6.559 -8.696 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -23.526 -5.419 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -24.024 -3.965 -7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -25.852 -6.329 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -25.768 -4.864 -5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -27.647 -4.564 -7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -26.388 -3.570 -7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -27.829 -5.206 -9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -26.197 -4.915 -9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -26.642 -6.326 -8.865 1.00 0.00 H new ATOM 137 N LYS A 10 -20.487 -4.898 -8.460 1.00 0.00 N ATOM 138 CA LYS A 10 -19.478 -3.904 -8.761 1.00 0.00 C ATOM 139 C LYS A 10 -18.335 -4.607 -9.493 1.00 0.00 C ATOM 140 O LYS A 10 -17.153 -4.321 -9.273 1.00 0.00 O ATOM 141 CB LYS A 10 -18.985 -3.253 -7.460 1.00 0.00 C ATOM 142 CG LYS A 10 -18.126 -2.012 -7.661 1.00 0.00 C ATOM 143 CD LYS A 10 -18.928 -0.847 -8.225 1.00 0.00 C ATOM 144 CE LYS A 10 -18.742 0.402 -7.380 1.00 0.00 C ATOM 145 NZ LYS A 10 -19.515 1.563 -7.904 1.00 0.00 N ATOM 0 H LYS A 10 -20.288 -5.451 -7.626 1.00 0.00 H new ATOM 0 HA LYS A 10 -19.885 -3.113 -9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -19.849 -2.986 -6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -18.412 -3.988 -6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.683 -1.720 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.303 -2.246 -8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.614 -0.647 -9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -19.985 -1.112 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.053 0.194 -6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.683 0.660 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.355 2.390 -7.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.201 1.781 -8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.528 1.330 -7.913 1.00 0.00 H new ATOM 159 N VAL A 11 -18.714 -5.563 -10.351 1.00 0.00 N ATOM 160 CA VAL A 11 -17.765 -6.356 -11.121 1.00 0.00 C ATOM 161 C VAL A 11 -16.812 -7.104 -10.171 1.00 0.00 C ATOM 162 O VAL A 11 -15.608 -7.183 -10.402 1.00 0.00 O ATOM 163 CB VAL A 11 -16.988 -5.454 -12.109 1.00 0.00 C ATOM 164 CG1 VAL A 11 -16.139 -6.262 -13.079 1.00 0.00 C ATOM 165 CG2 VAL A 11 -17.940 -4.564 -12.891 1.00 0.00 C ATOM 0 H VAL A 11 -19.690 -5.804 -10.526 1.00 0.00 H new ATOM 0 HA VAL A 11 -18.308 -7.097 -11.707 1.00 0.00 H new ATOM 0 HB VAL A 11 -16.321 -4.836 -11.508 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -15.613 -5.586 -13.752 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.414 -6.855 -12.521 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -16.781 -6.925 -13.659 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.371 -3.939 -13.579 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.637 -5.184 -13.455 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -18.496 -3.930 -12.200 1.00 0.00 H new ATOM 175 N ALA A 12 -17.383 -7.646 -9.092 1.00 0.00 N ATOM 176 CA ALA A 12 -16.630 -8.393 -8.075 1.00 0.00 C ATOM 177 C ALA A 12 -15.480 -7.570 -7.493 1.00 0.00 C ATOM 178 O ALA A 12 -14.350 -8.051 -7.394 1.00 0.00 O ATOM 179 CB ALA A 12 -16.111 -9.703 -8.645 1.00 0.00 C ATOM 0 H ALA A 12 -18.382 -7.580 -8.897 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.320 -8.612 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.556 -10.240 -7.876 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.951 -10.312 -8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -15.453 -9.497 -9.489 1.00 0.00 H new ATOM 185 N CYS A 13 -15.788 -6.333 -7.096 1.00 0.00 N ATOM 186 CA CYS A 13 -14.806 -5.412 -6.496 1.00 0.00 C ATOM 187 C CYS A 13 -13.783 -4.880 -7.504 1.00 0.00 C ATOM 188 O CYS A 13 -12.961 -4.037 -7.154 1.00 0.00 O ATOM 189 CB CYS A 13 -14.075 -6.078 -5.323 1.00 0.00 C ATOM 190 SG CYS A 13 -15.180 -6.774 -4.048 1.00 0.00 S ATOM 0 H CYS A 13 -16.724 -5.937 -7.179 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.380 -4.558 -6.135 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.440 -6.874 -5.711 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -13.417 -5.345 -4.856 1.00 0.00 H new ATOM 195 N ALA A 14 -13.822 -5.362 -8.742 1.00 0.00 N ATOM 196 CA ALA A 14 -12.880 -4.907 -9.756 1.00 0.00 C ATOM 197 C ALA A 14 -13.167 -3.473 -10.191 1.00 0.00 C ATOM 198 O ALA A 14 -12.249 -2.710 -10.486 1.00 0.00 O ATOM 199 CB ALA A 14 -12.898 -5.845 -10.952 1.00 0.00 C ATOM 0 H ALA A 14 -14.490 -6.062 -9.065 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.884 -4.919 -9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.189 -5.493 -11.702 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.618 -6.849 -10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.899 -5.867 -11.382 1.00 0.00 H new ATOM 205 N ALA A 15 -14.437 -3.094 -10.226 1.00 0.00 N ATOM 206 CA ALA A 15 -14.812 -1.739 -10.634 1.00 0.00 C ATOM 207 C ALA A 15 -14.720 -0.745 -9.472 1.00 0.00 C ATOM 208 O ALA A 15 -15.559 0.149 -9.347 1.00 0.00 O ATOM 209 CB ALA A 15 -16.218 -1.733 -11.226 1.00 0.00 C ATOM 0 H ALA A 15 -15.222 -3.697 -9.980 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.101 -1.419 -11.396 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.483 -0.719 -11.525 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.249 -2.387 -12.097 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.929 -2.089 -10.480 1.00 0.00 H new ATOM 215 N ALA A 16 -13.696 -0.897 -8.635 1.00 0.00 N ATOM 216 CA ALA A 16 -13.496 -0.008 -7.494 1.00 0.00 C ATOM 217 C ALA A 16 -12.109 -0.203 -6.884 1.00 0.00 C ATOM 218 O ALA A 16 -11.350 0.748 -6.717 1.00 0.00 O ATOM 219 CB ALA A 16 -14.578 -0.243 -6.445 1.00 0.00 C ATOM 0 H ALA A 16 -12.991 -1.629 -8.726 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.567 1.021 -7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.417 0.426 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.557 -0.047 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.534 -1.277 -6.103 1.00 0.00 H new ATOM 225 N ILE A 17 -11.792 -1.448 -6.562 1.00 0.00 N ATOM 226 CA ILE A 17 -10.513 -1.796 -5.968 1.00 0.00 C ATOM 227 C ILE A 17 -9.416 -1.835 -7.019 1.00 0.00 C ATOM 228 O ILE A 17 -8.320 -1.327 -6.795 1.00 0.00 O ATOM 229 CB ILE A 17 -10.650 -3.136 -5.202 1.00 0.00 C ATOM 230 CG1 ILE A 17 -10.856 -2.838 -3.733 1.00 0.00 C ATOM 231 CG2 ILE A 17 -9.468 -4.082 -5.383 1.00 0.00 C ATOM 232 CD1 ILE A 17 -11.714 -3.871 -3.048 1.00 0.00 C ATOM 0 H ILE A 17 -12.414 -2.243 -6.705 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.221 -1.027 -5.252 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.509 -3.657 -5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.887 -2.788 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.319 -1.857 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.643 -4.996 -4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.357 -4.327 -6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.558 -3.600 -5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.830 -3.609 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.694 -3.903 -3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.240 -4.849 -3.128 1.00 0.00 H new ATOM 244 N ALA A 18 -9.722 -2.408 -8.173 1.00 0.00 N ATOM 245 CA ALA A 18 -8.754 -2.476 -9.257 1.00 0.00 C ATOM 246 C ALA A 18 -8.471 -1.085 -9.816 1.00 0.00 C ATOM 247 O ALA A 18 -7.363 -0.797 -10.265 1.00 0.00 O ATOM 248 CB ALA A 18 -9.238 -3.403 -10.361 1.00 0.00 C ATOM 0 H ALA A 18 -10.627 -2.830 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.826 -2.882 -8.853 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.497 -3.436 -11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.382 -4.405 -9.957 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.183 -3.033 -10.759 1.00 0.00 H new ATOM 254 N GLY A 19 -9.477 -0.218 -9.768 1.00 0.00 N ATOM 255 CA GLY A 19 -9.310 1.135 -10.257 1.00 0.00 C ATOM 256 C GLY A 19 -8.523 1.990 -9.289 1.00 0.00 C ATOM 257 O GLY A 19 -7.870 2.955 -9.689 1.00 0.00 O ATOM 0 H GLY A 19 -10.404 -0.430 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.800 1.113 -11.220 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.289 1.584 -10.425 1.00 0.00 H new ATOM 261 N ALA A 20 -8.575 1.628 -8.010 1.00 0.00 N ATOM 262 CA ALA A 20 -7.854 2.361 -6.982 1.00 0.00 C ATOM 263 C ALA A 20 -6.359 2.080 -7.067 1.00 0.00 C ATOM 264 O ALA A 20 -5.537 2.893 -6.639 1.00 0.00 O ATOM 265 CB ALA A 20 -8.392 2.010 -5.603 1.00 0.00 C ATOM 0 H ALA A 20 -9.110 0.831 -7.664 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.007 3.427 -7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.841 2.567 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.449 2.270 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.271 0.941 -5.427 1.00 0.00 H new ATOM 271 N VAL A 21 -6.016 0.929 -7.635 1.00 0.00 N ATOM 272 CA VAL A 21 -4.640 0.526 -7.803 1.00 0.00 C ATOM 273 C VAL A 21 -3.925 1.449 -8.788 1.00 0.00 C ATOM 274 O VAL A 21 -2.818 1.923 -8.526 1.00 0.00 O ATOM 275 CB VAL A 21 -4.579 -0.924 -8.316 1.00 0.00 C ATOM 276 CG1 VAL A 21 -3.152 -1.359 -8.537 1.00 0.00 C ATOM 277 CG2 VAL A 21 -5.268 -1.866 -7.348 1.00 0.00 C ATOM 0 H VAL A 21 -6.692 0.253 -7.990 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.140 0.592 -6.836 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.103 -0.961 -9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.137 -2.387 -8.899 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.683 -0.707 -9.274 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.603 -1.297 -7.597 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.213 -2.885 -7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.774 -1.815 -6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.313 -1.575 -7.239 1.00 0.00 H new ATOM 287 N ALA A 22 -4.573 1.705 -9.919 1.00 0.00 N ATOM 288 CA ALA A 22 -4.012 2.571 -10.950 1.00 0.00 C ATOM 289 C ALA A 22 -3.853 4.006 -10.457 1.00 0.00 C ATOM 290 O ALA A 22 -3.058 4.771 -11.001 1.00 0.00 O ATOM 291 CB ALA A 22 -4.886 2.536 -12.192 1.00 0.00 C ATOM 0 H ALA A 22 -5.491 1.323 -10.146 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.019 2.195 -11.196 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.459 3.186 -12.956 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.938 1.516 -12.571 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.889 2.882 -11.941 1.00 0.00 H new ATOM 297 N ALA A 23 -4.613 4.369 -9.429 1.00 0.00 N ATOM 298 CA ALA A 23 -4.554 5.713 -8.872 1.00 0.00 C ATOM 299 C ALA A 23 -3.210 5.981 -8.202 1.00 0.00 C ATOM 300 O ALA A 23 -2.660 7.074 -8.320 1.00 0.00 O ATOM 301 CB ALA A 23 -5.686 5.931 -7.880 1.00 0.00 C ATOM 0 H ALA A 23 -5.277 3.749 -8.965 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.666 6.416 -9.697 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.625 6.941 -7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.643 5.800 -8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.603 5.208 -7.068 1.00 0.00 H new ATOM 307 N CYS A 24 -2.685 4.988 -7.493 1.00 0.00 N ATOM 308 CA CYS A 24 -1.407 5.149 -6.805 1.00 0.00 C ATOM 309 C CYS A 24 -0.266 4.523 -7.605 1.00 0.00 C ATOM 310 O CYS A 24 0.911 4.749 -7.316 1.00 0.00 O ATOM 311 CB CYS A 24 -1.473 4.524 -5.411 1.00 0.00 C ATOM 312 SG CYS A 24 -0.175 5.113 -4.277 1.00 0.00 S ATOM 0 H CYS A 24 -3.118 4.072 -7.379 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.210 6.217 -6.709 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.448 4.737 -4.974 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.396 3.441 -5.505 1.00 0.00 H new ATOM 317 N GLY A 25 -0.615 3.730 -8.610 1.00 0.00 N ATOM 318 CA GLY A 25 0.394 3.086 -9.427 1.00 0.00 C ATOM 319 C GLY A 25 0.516 1.611 -9.122 1.00 0.00 C ATOM 320 O GLY A 25 0.277 0.768 -9.988 1.00 0.00 O ATOM 0 H GLY A 25 -1.578 3.522 -8.873 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.146 3.219 -10.480 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.356 3.571 -9.263 1.00 0.00 H new ATOM 324 N GLY A 26 0.882 1.296 -7.889 1.00 0.00 N ATOM 325 CA GLY A 26 1.024 -0.090 -7.489 1.00 0.00 C ATOM 326 C GLY A 26 -0.113 -0.550 -6.604 1.00 0.00 C ATOM 327 O GLY A 26 -0.922 0.262 -6.154 1.00 0.00 O ATOM 0 H GLY A 26 1.084 1.976 -7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.068 -0.720 -8.378 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.968 -0.219 -6.960 1.00 0.00 H new ATOM 331 N ILE A 27 -0.179 -1.850 -6.351 1.00 0.00 N ATOM 332 CA ILE A 27 -1.232 -2.404 -5.517 1.00 0.00 C ATOM 333 C ILE A 27 -0.756 -2.620 -4.079 1.00 0.00 C ATOM 334 O ILE A 27 -0.019 -3.563 -3.777 1.00 0.00 O ATOM 335 CB ILE A 27 -1.793 -3.724 -6.114 1.00 0.00 C ATOM 336 CG1 ILE A 27 -2.676 -4.467 -5.102 1.00 0.00 C ATOM 337 CG2 ILE A 27 -0.668 -4.623 -6.606 1.00 0.00 C ATOM 338 CD1 ILE A 27 -3.904 -3.693 -4.677 1.00 0.00 C ATOM 0 H ILE A 27 0.483 -2.537 -6.711 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.041 -1.673 -5.495 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.416 -3.457 -6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.989 -5.417 -5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.082 -4.701 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.089 -5.540 -7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.099 -4.105 -7.378 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.009 -4.869 -5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.477 -4.283 -3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.600 -2.755 -4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.521 -3.482 -5.550 1.00 0.00 H new ATOM 350 N ASP A 28 -1.203 -1.741 -3.194 1.00 0.00 N ATOM 351 CA ASP A 28 -0.860 -1.829 -1.784 1.00 0.00 C ATOM 352 C ASP A 28 -2.131 -1.752 -0.938 1.00 0.00 C ATOM 353 O ASP A 28 -2.951 -2.669 -0.953 1.00 0.00 O ATOM 354 CB ASP A 28 0.156 -0.742 -1.357 1.00 0.00 C ATOM 355 CG ASP A 28 -0.267 0.685 -1.678 1.00 0.00 C ATOM 356 OD1 ASP A 28 -0.863 0.908 -2.742 1.00 0.00 O ATOM 357 OD2 ASP A 28 0.023 1.585 -0.866 1.00 0.00 O ATOM 0 H ASP A 28 -1.808 -0.954 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.374 -2.790 -1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.325 -0.824 -0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.109 -0.943 -1.846 1.00 0.00 H new ATOM 362 N LEU A 29 -2.277 -0.654 -0.212 1.00 0.00 N ATOM 363 CA LEU A 29 -3.424 -0.406 0.653 1.00 0.00 C ATOM 364 C LEU A 29 -3.306 0.968 1.330 1.00 0.00 C ATOM 365 O LEU A 29 -4.273 1.727 1.339 1.00 0.00 O ATOM 366 CB LEU A 29 -3.573 -1.513 1.715 1.00 0.00 C ATOM 367 CG LEU A 29 -4.646 -1.269 2.783 1.00 0.00 C ATOM 368 CD1 LEU A 29 -6.016 -1.064 2.148 1.00 0.00 C ATOM 369 CD2 LEU A 29 -4.680 -2.428 3.770 1.00 0.00 C ATOM 0 H LEU A 29 -1.592 0.102 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.317 -0.413 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.799 -2.451 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.613 -1.644 2.214 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.389 -0.357 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.757 -0.893 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.983 -0.201 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.289 -1.951 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.446 -2.242 4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.910 -3.352 3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.709 -2.521 4.256 1.00 0.00 H new ATOM 381 N PRO A 30 -2.120 1.321 1.911 1.00 0.00 N ATOM 382 CA PRO A 30 -1.925 2.616 2.587 1.00 0.00 C ATOM 383 C PRO A 30 -2.247 3.806 1.704 1.00 0.00 C ATOM 384 O PRO A 30 -2.666 4.855 2.187 1.00 0.00 O ATOM 385 CB PRO A 30 -0.438 2.643 2.930 1.00 0.00 C ATOM 386 CG PRO A 30 0.001 1.224 2.927 1.00 0.00 C ATOM 387 CD PRO A 30 -0.891 0.497 1.965 1.00 0.00 C ATOM 0 HA PRO A 30 -2.589 2.696 3.448 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.122 3.228 2.200 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.269 3.103 3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.045 1.143 2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.075 0.794 3.926 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.428 0.409 0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.105 -0.515 2.308 1.00 0.00 H new ATOM 395 N CYS A 31 -2.019 3.649 0.418 1.00 0.00 N ATOM 396 CA CYS A 31 -2.260 4.719 -0.517 1.00 0.00 C ATOM 397 C CYS A 31 -3.507 4.450 -1.364 1.00 0.00 C ATOM 398 O CYS A 31 -4.155 5.378 -1.851 1.00 0.00 O ATOM 399 CB CYS A 31 -1.017 4.902 -1.392 1.00 0.00 C ATOM 400 SG CYS A 31 -1.215 6.040 -2.799 1.00 0.00 S ATOM 0 H CYS A 31 -1.667 2.789 -0.001 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.450 5.641 0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.202 5.264 -0.765 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.716 3.927 -1.775 1.00 0.00 H new ATOM 405 N VAL A 32 -3.845 3.174 -1.533 1.00 0.00 N ATOM 406 CA VAL A 32 -5.004 2.771 -2.311 1.00 0.00 C ATOM 407 C VAL A 32 -6.320 3.090 -1.580 1.00 0.00 C ATOM 408 O VAL A 32 -7.397 3.077 -2.183 1.00 0.00 O ATOM 409 CB VAL A 32 -4.903 1.256 -2.629 1.00 0.00 C ATOM 410 CG1 VAL A 32 -6.165 0.721 -3.254 1.00 0.00 C ATOM 411 CG2 VAL A 32 -3.726 0.983 -3.547 1.00 0.00 C ATOM 0 H VAL A 32 -3.322 2.395 -1.134 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.013 3.339 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.755 0.742 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.047 -0.343 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.001 0.868 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.362 1.250 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.670 -0.085 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.857 1.532 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.804 1.305 -3.062 1.00 0.00 H new ATOM 421 N LEU A 33 -6.232 3.390 -0.284 1.00 0.00 N ATOM 422 CA LEU A 33 -7.419 3.709 0.516 1.00 0.00 C ATOM 423 C LEU A 33 -8.192 4.921 -0.026 1.00 0.00 C ATOM 424 O LEU A 33 -9.336 5.148 0.364 1.00 0.00 O ATOM 425 CB LEU A 33 -7.055 3.933 1.998 1.00 0.00 C ATOM 426 CG LEU A 33 -5.849 4.844 2.304 1.00 0.00 C ATOM 427 CD1 LEU A 33 -6.062 6.266 1.813 1.00 0.00 C ATOM 428 CD2 LEU A 33 -5.582 4.861 3.797 1.00 0.00 C ATOM 0 H LEU A 33 -5.354 3.419 0.235 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.075 2.842 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.928 4.351 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.864 2.959 2.449 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.991 4.434 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.186 6.868 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.215 6.259 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.939 6.692 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.729 5.506 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.461 5.240 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.364 3.849 4.139 1.00 0.00 H new ATOM 440 N ALA A 34 -7.560 5.700 -0.909 1.00 0.00 N ATOM 441 CA ALA A 34 -8.189 6.890 -1.486 1.00 0.00 C ATOM 442 C ALA A 34 -9.532 6.561 -2.129 1.00 0.00 C ATOM 443 O ALA A 34 -10.555 7.160 -1.799 1.00 0.00 O ATOM 444 CB ALA A 34 -7.263 7.536 -2.507 1.00 0.00 C ATOM 0 H ALA A 34 -6.611 5.526 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.372 7.593 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.744 8.419 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.332 7.827 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.049 6.825 -3.305 1.00 0.00 H new ATOM 450 N ALA A 35 -9.527 5.590 -3.033 1.00 0.00 N ATOM 451 CA ALA A 35 -10.748 5.169 -3.706 1.00 0.00 C ATOM 452 C ALA A 35 -11.241 3.859 -3.110 1.00 0.00 C ATOM 453 O ALA A 35 -11.884 3.054 -3.783 1.00 0.00 O ATOM 454 CB ALA A 35 -10.510 5.024 -5.203 1.00 0.00 C ATOM 0 H ALA A 35 -8.691 5.079 -3.317 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.514 5.931 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.433 4.709 -5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.191 5.981 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.735 4.278 -5.378 1.00 0.00 H new ATOM 460 N LEU A 36 -10.920 3.649 -1.841 1.00 0.00 N ATOM 461 CA LEU A 36 -11.309 2.435 -1.142 1.00 0.00 C ATOM 462 C LEU A 36 -12.128 2.765 0.101 1.00 0.00 C ATOM 463 O LEU A 36 -13.188 2.184 0.333 1.00 0.00 O ATOM 464 CB LEU A 36 -10.060 1.642 -0.749 1.00 0.00 C ATOM 465 CG LEU A 36 -10.320 0.268 -0.137 1.00 0.00 C ATOM 466 CD1 LEU A 36 -11.019 -0.633 -1.139 1.00 0.00 C ATOM 467 CD2 LEU A 36 -9.014 -0.360 0.324 1.00 0.00 C ATOM 0 H LEU A 36 -10.388 4.308 -1.273 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.926 1.833 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.438 1.514 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.484 2.234 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.970 0.390 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.198 -1.609 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.971 -0.187 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.391 -0.751 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.215 -1.339 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.343 -0.471 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.547 0.280 1.072 1.00 0.00 H new ATOM 479 N LYS A 37 -11.617 3.696 0.899 1.00 0.00 N ATOM 480 CA LYS A 37 -12.275 4.117 2.130 1.00 0.00 C ATOM 481 C LYS A 37 -13.495 4.981 1.826 1.00 0.00 C ATOM 482 O LYS A 37 -13.372 6.189 1.617 1.00 0.00 O ATOM 483 CB LYS A 37 -11.282 4.901 2.994 1.00 0.00 C ATOM 484 CG LYS A 37 -11.775 5.206 4.400 1.00 0.00 C ATOM 485 CD LYS A 37 -10.794 6.108 5.132 1.00 0.00 C ATOM 486 CE LYS A 37 -11.215 6.359 6.571 1.00 0.00 C ATOM 487 NZ LYS A 37 -10.204 7.165 7.303 1.00 0.00 N ATOM 0 H LYS A 37 -10.738 4.179 0.712 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.611 3.231 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.353 4.335 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.046 5.840 2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.752 5.687 4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.905 4.277 4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.804 5.653 5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.715 7.060 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.174 6.877 6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.360 5.406 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.650 7.614 8.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.431 6.546 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.823 7.899 6.673 1.00 0.00 H new ATOM 501 N ALA A 38 -14.665 4.355 1.800 1.00 0.00 N ATOM 502 CA ALA A 38 -15.909 5.062 1.523 1.00 0.00 C ATOM 503 C ALA A 38 -17.056 4.469 2.332 1.00 0.00 C ATOM 504 O ALA A 38 -17.434 5.004 3.373 1.00 0.00 O ATOM 505 CB ALA A 38 -16.225 5.015 0.033 1.00 0.00 C ATOM 0 H ALA A 38 -14.778 3.355 1.968 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.786 6.104 1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.157 5.547 -0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -15.416 5.487 -0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.328 3.977 -0.285 1.00 0.00 H new ATOM 511 N ALA A 39 -17.598 3.359 1.851 1.00 0.00 N ATOM 512 CA ALA A 39 -18.694 2.687 2.532 1.00 0.00 C ATOM 513 C ALA A 39 -18.244 1.334 3.058 1.00 0.00 C ATOM 514 O ALA A 39 -17.351 0.703 2.483 1.00 0.00 O ATOM 515 CB ALA A 39 -19.882 2.520 1.596 1.00 0.00 C ATOM 0 H ALA A 39 -17.295 2.904 0.990 1.00 0.00 H new ATOM 0 HA ALA A 39 -19.002 3.304 3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -20.692 2.015 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -20.222 3.500 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -19.584 1.925 0.733 1.00 0.00 H new ATOM 521 N GLU A 40 -18.860 0.892 4.147 1.00 0.00 N ATOM 522 CA GLU A 40 -18.518 -0.391 4.748 1.00 0.00 C ATOM 523 C GLU A 40 -18.920 -1.537 3.828 1.00 0.00 C ATOM 524 O GLU A 40 -19.958 -1.485 3.171 1.00 0.00 O ATOM 525 CB GLU A 40 -19.208 -0.564 6.108 1.00 0.00 C ATOM 526 CG GLU A 40 -18.930 0.556 7.100 1.00 0.00 C ATOM 527 CD GLU A 40 -19.853 1.736 6.915 1.00 0.00 C ATOM 528 OE1 GLU A 40 -21.074 1.570 7.109 1.00 0.00 O ATOM 529 OE2 GLU A 40 -19.365 2.822 6.561 1.00 0.00 O ATOM 0 H GLU A 40 -19.598 1.402 4.632 1.00 0.00 H new ATOM 0 HA GLU A 40 -17.438 -0.409 4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -20.284 -0.634 5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -18.888 -1.509 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -19.035 0.172 8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -17.897 0.886 6.990 1.00 0.00 H new ATOM 536 N GLY A 41 -18.099 -2.576 3.797 1.00 0.00 N ATOM 537 CA GLY A 41 -18.398 -3.725 2.967 1.00 0.00 C ATOM 538 C GLY A 41 -17.820 -3.630 1.570 1.00 0.00 C ATOM 539 O GLY A 41 -17.858 -4.596 0.818 1.00 0.00 O ATOM 0 H GLY A 41 -17.232 -2.644 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -18.012 -4.622 3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -19.480 -3.841 2.897 1.00 0.00 H new ATOM 543 N CYS A 42 -17.293 -2.469 1.207 1.00 0.00 N ATOM 544 CA CYS A 42 -16.722 -2.292 -0.125 1.00 0.00 C ATOM 545 C CYS A 42 -15.269 -2.733 -0.156 1.00 0.00 C ATOM 546 O CYS A 42 -14.736 -3.079 -1.209 1.00 0.00 O ATOM 547 CB CYS A 42 -16.844 -0.839 -0.581 1.00 0.00 C ATOM 548 SG CYS A 42 -18.559 -0.305 -0.885 1.00 0.00 S ATOM 0 H CYS A 42 -17.248 -1.644 1.806 1.00 0.00 H new ATOM 0 HA CYS A 42 -17.287 -2.919 -0.815 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -16.401 -0.192 0.176 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -16.264 -0.705 -1.494 1.00 0.00 H new ATOM 553 N ALA A 43 -14.632 -2.734 1.004 1.00 0.00 N ATOM 554 CA ALA A 43 -13.245 -3.149 1.098 1.00 0.00 C ATOM 555 C ALA A 43 -13.127 -4.462 1.860 1.00 0.00 C ATOM 556 O ALA A 43 -12.080 -4.769 2.422 1.00 0.00 O ATOM 557 CB ALA A 43 -12.410 -2.069 1.766 1.00 0.00 C ATOM 0 H ALA A 43 -15.053 -2.453 1.890 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.865 -3.304 0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.373 -2.397 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.466 -1.152 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.792 -1.882 2.770 1.00 0.00 H new ATOM 563 N SER A 44 -14.207 -5.236 1.875 1.00 0.00 N ATOM 564 CA SER A 44 -14.218 -6.517 2.568 1.00 0.00 C ATOM 565 C SER A 44 -13.523 -7.584 1.731 1.00 0.00 C ATOM 566 O SER A 44 -12.648 -8.285 2.221 1.00 0.00 O ATOM 567 CB SER A 44 -15.653 -6.935 2.874 1.00 0.00 C ATOM 568 OG SER A 44 -16.441 -6.906 1.699 1.00 0.00 O ATOM 0 H SER A 44 -15.086 -4.998 1.415 1.00 0.00 H new ATOM 0 HA SER A 44 -13.675 -6.409 3.507 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.662 -7.938 3.300 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.081 -6.267 3.622 1.00 0.00 H new ATOM 0 HG SER A 44 -16.823 -6.011 1.583 1.00 0.00 H new ATOM 574 N CYS A 45 -13.910 -7.682 0.458 1.00 0.00 N ATOM 575 CA CYS A 45 -13.316 -8.653 -0.471 1.00 0.00 C ATOM 576 C CYS A 45 -11.803 -8.509 -0.520 1.00 0.00 C ATOM 577 O CYS A 45 -11.068 -9.485 -0.659 1.00 0.00 O ATOM 578 CB CYS A 45 -13.878 -8.442 -1.879 1.00 0.00 C ATOM 579 SG CYS A 45 -14.082 -6.691 -2.342 1.00 0.00 S ATOM 0 H CYS A 45 -14.636 -7.099 0.042 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.566 -9.652 -0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -13.216 -8.923 -2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -14.844 -8.941 -1.952 1.00 0.00 H new ATOM 584 N PHE A 46 -11.366 -7.272 -0.421 1.00 0.00 N ATOM 585 CA PHE A 46 -9.961 -6.925 -0.468 1.00 0.00 C ATOM 586 C PHE A 46 -9.302 -7.085 0.896 1.00 0.00 C ATOM 587 O PHE A 46 -8.452 -7.950 1.088 1.00 0.00 O ATOM 588 CB PHE A 46 -9.877 -5.479 -0.943 1.00 0.00 C ATOM 589 CG PHE A 46 -8.505 -4.905 -1.153 1.00 0.00 C ATOM 590 CD1 PHE A 46 -7.347 -5.610 -0.868 1.00 0.00 C ATOM 591 CD2 PHE A 46 -8.398 -3.622 -1.643 1.00 0.00 C ATOM 592 CE1 PHE A 46 -6.110 -5.033 -1.071 1.00 0.00 C ATOM 593 CE2 PHE A 46 -7.177 -3.040 -1.847 1.00 0.00 C ATOM 594 CZ PHE A 46 -6.026 -3.744 -1.560 1.00 0.00 C ATOM 0 H PHE A 46 -11.984 -6.469 -0.304 1.00 0.00 H new ATOM 0 HA PHE A 46 -9.429 -7.591 -1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.424 -5.400 -1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.397 -4.854 -0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -7.413 -6.617 -0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.295 -3.065 -1.870 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.210 -5.588 -0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.114 -2.033 -2.231 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.060 -3.288 -1.718 1.00 0.00 H new ATOM 604 N CYS A 47 -9.680 -6.225 1.829 1.00 0.00 N ATOM 605 CA CYS A 47 -9.109 -6.230 3.172 1.00 0.00 C ATOM 606 C CYS A 47 -9.674 -7.337 4.049 1.00 0.00 C ATOM 607 O CYS A 47 -9.783 -7.172 5.264 1.00 0.00 O ATOM 608 CB CYS A 47 -9.373 -4.889 3.834 1.00 0.00 C ATOM 609 SG CYS A 47 -8.859 -3.464 2.832 1.00 0.00 S ATOM 0 H CYS A 47 -10.388 -5.506 1.680 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.039 -6.411 3.067 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.438 -4.804 4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.850 -4.857 4.790 1.00 0.00 H new ATOM 614 N GLU A 48 -10.020 -8.458 3.444 1.00 0.00 N ATOM 615 CA GLU A 48 -10.560 -9.584 4.183 1.00 0.00 C ATOM 616 C GLU A 48 -9.496 -10.129 5.120 1.00 0.00 C ATOM 617 O GLU A 48 -9.678 -10.178 6.338 1.00 0.00 O ATOM 618 CB GLU A 48 -11.006 -10.670 3.205 1.00 0.00 C ATOM 619 CG GLU A 48 -11.826 -11.783 3.843 1.00 0.00 C ATOM 620 CD GLU A 48 -13.063 -11.279 4.553 1.00 0.00 C ATOM 621 OE1 GLU A 48 -13.954 -10.720 3.884 1.00 0.00 O ATOM 622 OE2 GLU A 48 -13.145 -11.447 5.787 1.00 0.00 O ATOM 0 H GLU A 48 -9.936 -8.613 2.439 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.420 -9.261 4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.594 -10.210 2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.124 -11.106 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.122 -12.495 3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.202 -12.324 4.554 1.00 0.00 H new ATOM 629 N ASP A 49 -8.374 -10.512 4.531 1.00 0.00 N ATOM 630 CA ASP A 49 -7.244 -11.034 5.281 1.00 0.00 C ATOM 631 C ASP A 49 -6.323 -9.879 5.666 1.00 0.00 C ATOM 632 O ASP A 49 -5.407 -10.027 6.474 1.00 0.00 O ATOM 633 CB ASP A 49 -6.498 -12.067 4.430 1.00 0.00 C ATOM 634 CG ASP A 49 -5.551 -12.922 5.237 1.00 0.00 C ATOM 635 OD1 ASP A 49 -6.006 -13.562 6.205 1.00 0.00 O ATOM 636 OD2 ASP A 49 -4.357 -12.978 4.883 1.00 0.00 O ATOM 0 H ASP A 49 -8.222 -10.470 3.523 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.591 -11.524 6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.223 -12.710 3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.938 -11.551 3.650 1.00 0.00 H new ATOM 641 N HIS A 50 -6.591 -8.717 5.074 1.00 0.00 N ATOM 642 CA HIS A 50 -5.812 -7.506 5.332 1.00 0.00 C ATOM 643 C HIS A 50 -6.615 -6.540 6.198 1.00 0.00 C ATOM 644 O HIS A 50 -6.917 -5.420 5.778 1.00 0.00 O ATOM 645 CB HIS A 50 -5.455 -6.803 4.013 1.00 0.00 C ATOM 646 CG HIS A 50 -5.006 -7.724 2.921 1.00 0.00 C ATOM 647 ND1 HIS A 50 -5.607 -8.074 1.759 1.00 0.00 N flip ATOM 648 CD2 HIS A 50 -3.816 -8.417 2.958 1.00 0.00 C flip ATOM 649 CE1 HIS A 50 -4.777 -8.964 1.122 1.00 0.00 C flip ATOM 650 NE2 HIS A 50 -3.703 -9.152 1.868 1.00 0.00 N flip ATOM 0 H HIS A 50 -7.350 -8.588 4.405 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.897 -7.797 5.849 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.325 -6.245 3.666 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -4.666 -6.076 4.205 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -6.509 -7.739 1.420 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -3.089 -8.367 3.755 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.970 -9.433 0.168 1.00 0.00 H new ATOM 658 N CYS A 51 -6.984 -6.965 7.395 1.00 0.00 N ATOM 659 CA CYS A 51 -7.772 -6.110 8.276 1.00 0.00 C ATOM 660 C CYS A 51 -6.954 -5.664 9.485 1.00 0.00 C ATOM 661 O CYS A 51 -7.393 -5.789 10.631 1.00 0.00 O ATOM 662 CB CYS A 51 -9.044 -6.835 8.728 1.00 0.00 C ATOM 663 SG CYS A 51 -10.375 -5.717 9.279 1.00 0.00 S ATOM 0 H CYS A 51 -6.756 -7.883 7.778 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.057 -5.220 7.715 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.414 -7.447 7.905 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.793 -7.515 9.542 1.00 0.00 H new ATOM 668 N HIS A 52 -5.758 -5.148 9.226 1.00 0.00 N ATOM 669 CA HIS A 52 -4.878 -4.692 10.291 1.00 0.00 C ATOM 670 C HIS A 52 -4.138 -3.405 9.914 1.00 0.00 C ATOM 671 O HIS A 52 -3.460 -2.807 10.750 1.00 0.00 O ATOM 672 CB HIS A 52 -3.877 -5.795 10.668 1.00 0.00 C ATOM 673 CG HIS A 52 -3.149 -6.396 9.501 1.00 0.00 C ATOM 674 ND1 HIS A 52 -3.763 -7.174 8.543 1.00 0.00 N ATOM 675 CD2 HIS A 52 -1.852 -6.310 9.132 1.00 0.00 C ATOM 676 CE1 HIS A 52 -2.874 -7.540 7.637 1.00 0.00 C ATOM 677 NE2 HIS A 52 -1.703 -7.026 7.969 1.00 0.00 N ATOM 0 H HIS A 52 -5.377 -5.036 8.287 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.503 -4.467 11.155 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.146 -5.383 11.364 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.409 -6.587 11.196 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.074 -5.775 9.656 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.071 -8.155 6.771 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.833 -7.142 7.449 1.00 0.00 H new ATOM 685 N GLY A 53 -4.268 -2.978 8.661 1.00 0.00 N ATOM 686 CA GLY A 53 -3.596 -1.763 8.220 1.00 0.00 C ATOM 687 C GLY A 53 -4.538 -0.576 8.091 1.00 0.00 C ATOM 688 O GLY A 53 -5.551 -0.509 8.788 1.00 0.00 O ATOM 0 H GLY A 53 -4.823 -3.447 7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.804 -1.516 8.927 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.119 -1.947 7.258 1.00 0.00 H new ATOM 692 N VAL A 54 -4.201 0.356 7.189 1.00 0.00 N ATOM 693 CA VAL A 54 -5.005 1.568 6.939 1.00 0.00 C ATOM 694 C VAL A 54 -6.459 1.250 6.591 1.00 0.00 C ATOM 695 O VAL A 54 -7.321 2.123 6.643 1.00 0.00 O ATOM 696 CB VAL A 54 -4.425 2.395 5.769 1.00 0.00 C ATOM 697 CG1 VAL A 54 -3.056 2.967 6.087 1.00 0.00 C ATOM 698 CG2 VAL A 54 -4.358 1.547 4.518 1.00 0.00 C ATOM 0 H VAL A 54 -3.364 0.294 6.610 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.969 2.133 7.871 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.096 3.239 5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.693 3.539 5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.128 3.620 6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.362 2.154 6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.948 2.138 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.718 0.683 4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.360 1.208 4.254 1.00 0.00 H new ATOM 708 N CYS A 55 -6.735 0.014 6.215 1.00 0.00 N ATOM 709 CA CYS A 55 -8.090 -0.363 5.851 1.00 0.00 C ATOM 710 C CYS A 55 -8.989 -0.394 7.080 1.00 0.00 C ATOM 711 O CYS A 55 -10.202 -0.223 6.977 1.00 0.00 O ATOM 712 CB CYS A 55 -8.105 -1.713 5.154 1.00 0.00 C ATOM 713 SG CYS A 55 -9.455 -1.890 3.952 1.00 0.00 S ATOM 0 H CYS A 55 -6.049 -0.738 6.154 1.00 0.00 H new ATOM 0 HA CYS A 55 -8.474 0.387 5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.153 -1.861 4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.191 -2.500 5.904 1.00 0.00 H new ATOM 718 N LYS A 56 -8.393 -0.589 8.251 1.00 0.00 N ATOM 719 CA LYS A 56 -9.174 -0.609 9.480 1.00 0.00 C ATOM 720 C LYS A 56 -9.187 0.775 10.124 1.00 0.00 C ATOM 721 O LYS A 56 -9.565 0.932 11.285 1.00 0.00 O ATOM 722 CB LYS A 56 -8.683 -1.680 10.462 1.00 0.00 C ATOM 723 CG LYS A 56 -7.402 -1.345 11.211 1.00 0.00 C ATOM 724 CD LYS A 56 -7.081 -2.440 12.220 1.00 0.00 C ATOM 725 CE LYS A 56 -8.236 -2.649 13.197 1.00 0.00 C ATOM 726 NZ LYS A 56 -8.247 -4.024 13.768 1.00 0.00 N ATOM 0 H LYS A 56 -7.391 -0.733 8.374 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.197 -0.877 9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.471 -1.868 11.191 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.529 -2.609 9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.578 -1.237 10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.511 -0.389 11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.873 -3.372 11.695 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.178 -2.176 12.771 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.162 -1.922 14.006 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.180 -2.462 12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.047 -4.121 14.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.344 -4.718 13.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.357 -4.195 14.279 1.00 0.00 H new ATOM 740 N ASP A 57 -8.829 1.789 9.327 1.00 0.00 N ATOM 741 CA ASP A 57 -8.846 3.184 9.770 1.00 0.00 C ATOM 742 C ASP A 57 -10.276 3.718 9.596 1.00 0.00 C ATOM 743 O ASP A 57 -10.528 4.902 9.368 1.00 0.00 O ATOM 744 CB ASP A 57 -7.810 3.992 8.967 1.00 0.00 C ATOM 745 CG ASP A 57 -7.750 5.456 9.338 1.00 0.00 C ATOM 746 OD1 ASP A 57 -7.487 5.767 10.513 1.00 0.00 O ATOM 747 OD2 ASP A 57 -7.944 6.300 8.448 1.00 0.00 O ATOM 0 H ASP A 57 -8.521 1.665 8.363 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.570 3.274 10.821 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.825 3.550 9.116 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.041 3.906 7.905 1.00 0.00 H new ATOM 752 N LEU A 58 -11.196 2.772 9.721 1.00 0.00 N ATOM 753 CA LEU A 58 -12.635 2.965 9.617 1.00 0.00 C ATOM 754 C LEU A 58 -13.258 1.653 10.077 1.00 0.00 C ATOM 755 O LEU A 58 -14.275 1.631 10.768 1.00 0.00 O ATOM 756 CB LEU A 58 -13.054 3.301 8.172 1.00 0.00 C ATOM 757 CG LEU A 58 -14.493 3.821 7.983 1.00 0.00 C ATOM 758 CD1 LEU A 58 -14.648 4.493 6.628 1.00 0.00 C ATOM 759 CD2 LEU A 58 -15.508 2.694 8.106 1.00 0.00 C ATOM 0 H LEU A 58 -10.946 1.801 9.907 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.968 3.804 10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.365 4.050 7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.931 2.406 7.563 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.681 4.550 8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.671 4.853 6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.958 5.334 6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.427 3.775 5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -16.513 3.093 7.968 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -15.309 1.940 7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -15.430 2.241 9.094 1.00 0.00 H new ATOM 771 N HIS A 59 -12.574 0.565 9.697 1.00 0.00 N ATOM 772 CA HIS A 59 -12.945 -0.808 10.045 1.00 0.00 C ATOM 773 C HIS A 59 -14.197 -1.263 9.302 1.00 0.00 C ATOM 774 O HIS A 59 -15.321 -1.068 9.766 1.00 0.00 O ATOM 775 CB HIS A 59 -13.124 -0.965 11.558 1.00 0.00 C ATOM 776 CG HIS A 59 -12.994 -2.382 12.015 1.00 0.00 C ATOM 777 ND1 HIS A 59 -11.828 -3.106 11.884 1.00 0.00 N ATOM 778 CD2 HIS A 59 -13.894 -3.218 12.579 1.00 0.00 C ATOM 779 CE1 HIS A 59 -12.017 -4.328 12.346 1.00 0.00 C ATOM 780 NE2 HIS A 59 -13.264 -4.423 12.776 1.00 0.00 N ATOM 0 H HIS A 59 -11.730 0.619 9.127 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.124 -1.452 9.729 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.382 -0.353 12.072 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -14.105 -0.585 11.844 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.918 -2.983 12.828 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.279 -5.116 12.369 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.689 -5.255 13.187 1.00 0.00 H new ATOM 788 N LEU A 60 -13.986 -1.871 8.139 1.00 0.00 N ATOM 789 CA LEU A 60 -15.067 -2.361 7.318 1.00 0.00 C ATOM 790 C LEU A 60 -14.819 -3.803 6.872 1.00 0.00 C ATOM 791 O LEU A 60 -15.459 -4.288 5.937 1.00 0.00 O ATOM 792 CB LEU A 60 -15.283 -1.461 6.088 1.00 0.00 C ATOM 793 CG LEU A 60 -14.038 -0.872 5.380 1.00 0.00 C ATOM 794 CD1 LEU A 60 -13.467 0.310 6.146 1.00 0.00 C ATOM 795 CD2 LEU A 60 -12.958 -1.921 5.159 1.00 0.00 C ATOM 0 H LEU A 60 -13.058 -2.034 7.747 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.970 -2.339 7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.844 -2.035 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.917 -0.628 6.393 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.375 -0.523 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.595 0.697 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.222 1.093 6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.175 -0.011 7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.104 -1.464 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.642 -2.326 6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.353 -2.725 4.538 1.00 0.00 H new ATOM 807 N CYS A 61 -13.887 -4.480 7.533 1.00 0.00 N ATOM 808 CA CYS A 61 -13.560 -5.862 7.195 1.00 0.00 C ATOM 809 C CYS A 61 -13.851 -6.789 8.364 1.00 0.00 C ATOM 810 O CYS A 61 -13.234 -7.872 8.427 1.00 0.00 O ATOM 811 CB CYS A 61 -12.090 -5.993 6.781 1.00 0.00 C ATOM 812 SG CYS A 61 -10.971 -4.787 7.574 1.00 0.00 S ATOM 813 OXT CYS A 61 -14.699 -6.433 9.204 1.00 0.00 O ATOM 0 H CYS A 61 -13.344 -4.095 8.306 1.00 0.00 H new ATOM 0 HA CYS A 61 -14.187 -6.152 6.352 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.747 -7.000 7.019 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.019 -5.880 5.699 1.00 0.00 H new TER 818 CYS A 61 ATOM 819 N ALA B 62 32.805 -0.396 1.325 1.00 0.00 N ATOM 820 CA ALA B 62 31.469 0.224 1.164 1.00 0.00 C ATOM 821 C ALA B 62 30.436 -0.522 1.993 1.00 0.00 C ATOM 822 O ALA B 62 30.411 -1.753 2.008 1.00 0.00 O ATOM 823 CB ALA B 62 31.053 0.231 -0.299 1.00 0.00 C ATOM 0 HA ALA B 62 31.527 1.254 1.515 1.00 0.00 H new ATOM 0 HB1 ALA B 62 30.069 0.690 -0.395 1.00 0.00 H new ATOM 0 HB2 ALA B 62 31.778 0.800 -0.881 1.00 0.00 H new ATOM 0 HB3 ALA B 62 31.013 -0.793 -0.671 1.00 0.00 H new ATOM 831 N MET B 63 29.579 0.222 2.675 1.00 0.00 N ATOM 832 CA MET B 63 28.542 -0.379 3.501 1.00 0.00 C ATOM 833 C MET B 63 27.351 -0.798 2.650 1.00 0.00 C ATOM 834 O MET B 63 26.665 0.047 2.072 1.00 0.00 O ATOM 835 CB MET B 63 28.076 0.594 4.590 1.00 0.00 C ATOM 836 CG MET B 63 29.059 0.766 5.742 1.00 0.00 C ATOM 837 SD MET B 63 30.592 1.589 5.263 1.00 0.00 S ATOM 838 CE MET B 63 31.432 1.654 6.844 1.00 0.00 C ATOM 0 H MET B 63 29.581 1.242 2.673 1.00 0.00 H new ATOM 0 HA MET B 63 28.969 -1.262 3.976 1.00 0.00 H new ATOM 0 HB2 MET B 63 27.893 1.568 4.136 1.00 0.00 H new ATOM 0 HB3 MET B 63 27.124 0.244 4.990 1.00 0.00 H new ATOM 0 HG2 MET B 63 28.580 1.340 6.535 1.00 0.00 H new ATOM 0 HG3 MET B 63 29.296 -0.214 6.156 1.00 0.00 H new ATOM 0 HE1 MET B 63 32.402 2.137 6.721 1.00 0.00 H new ATOM 0 HE2 MET B 63 30.830 2.223 7.553 1.00 0.00 H new ATOM 0 HE3 MET B 63 31.576 0.642 7.221 1.00 0.00 H new ATOM 848 N GLY B 64 27.100 -2.099 2.582 1.00 0.00 N ATOM 849 CA GLY B 64 25.977 -2.596 1.807 1.00 0.00 C ATOM 850 C GLY B 64 24.672 -2.436 2.551 1.00 0.00 C ATOM 851 O GLY B 64 24.186 -3.391 3.154 1.00 0.00 O ATOM 0 H GLY B 64 27.652 -2.819 3.048 1.00 0.00 H new ATOM 0 HA2 GLY B 64 25.924 -2.061 0.859 1.00 0.00 H new ATOM 0 HA3 GLY B 64 26.135 -3.648 1.571 1.00 0.00 H new ATOM 855 N LYS B 65 24.127 -1.211 2.508 1.00 0.00 N ATOM 856 CA LYS B 65 22.870 -0.828 3.180 1.00 0.00 C ATOM 857 C LYS B 65 22.790 -1.299 4.637 1.00 0.00 C ATOM 858 O LYS B 65 23.045 -0.508 5.547 1.00 0.00 O ATOM 859 CB LYS B 65 21.609 -1.224 2.376 1.00 0.00 C ATOM 860 CG LYS B 65 21.686 -2.536 1.601 1.00 0.00 C ATOM 861 CD LYS B 65 20.673 -2.572 0.464 1.00 0.00 C ATOM 862 CE LYS B 65 20.989 -1.518 -0.590 1.00 0.00 C ATOM 863 NZ LYS B 65 20.014 -1.522 -1.715 1.00 0.00 N ATOM 0 H LYS B 65 24.555 -0.440 1.995 1.00 0.00 H new ATOM 0 HA LYS B 65 22.891 0.261 3.213 1.00 0.00 H new ATOM 0 HB2 LYS B 65 20.768 -1.283 3.066 1.00 0.00 H new ATOM 0 HB3 LYS B 65 21.387 -0.423 1.671 1.00 0.00 H new ATOM 0 HG2 LYS B 65 22.691 -2.664 1.199 1.00 0.00 H new ATOM 0 HG3 LYS B 65 21.505 -3.371 2.278 1.00 0.00 H new ATOM 0 HD2 LYS B 65 20.673 -3.561 0.005 1.00 0.00 H new ATOM 0 HD3 LYS B 65 19.672 -2.405 0.860 1.00 0.00 H new ATOM 0 HE2 LYS B 65 20.995 -0.533 -0.123 1.00 0.00 H new ATOM 0 HE3 LYS B 65 21.991 -1.691 -0.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 20.275 -0.787 -2.403 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 20.025 -2.452 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 19.060 -1.330 -1.348 1.00 0.00 H new ATOM 877 N CYS B 66 22.438 -2.558 4.878 1.00 0.00 N ATOM 878 CA CYS B 66 22.346 -3.052 6.249 1.00 0.00 C ATOM 879 C CYS B 66 22.542 -4.563 6.344 1.00 0.00 C ATOM 880 O CYS B 66 22.176 -5.163 7.358 1.00 0.00 O ATOM 881 CB CYS B 66 20.990 -2.685 6.851 1.00 0.00 C ATOM 882 SG CYS B 66 19.568 -3.430 5.991 1.00 0.00 S ATOM 0 H CYS B 66 22.215 -3.244 4.157 1.00 0.00 H new ATOM 0 HA CYS B 66 23.152 -2.576 6.808 1.00 0.00 H new ATOM 0 HB2 CYS B 66 20.972 -2.996 7.896 1.00 0.00 H new ATOM 0 HB3 CYS B 66 20.881 -1.601 6.839 1.00 0.00 H new ATOM 887 N SER B 67 23.107 -5.176 5.299 1.00 0.00 N ATOM 888 CA SER B 67 23.330 -6.628 5.282 1.00 0.00 C ATOM 889 C SER B 67 22.014 -7.365 5.531 1.00 0.00 C ATOM 890 O SER B 67 21.796 -7.946 6.596 1.00 0.00 O ATOM 891 CB SER B 67 24.361 -7.029 6.336 1.00 0.00 C ATOM 892 OG SER B 67 25.560 -6.287 6.202 1.00 0.00 O ATOM 0 H SER B 67 23.418 -4.693 4.456 1.00 0.00 H new ATOM 0 HA SER B 67 23.714 -6.905 4.300 1.00 0.00 H new ATOM 0 HB2 SER B 67 23.945 -6.872 7.331 1.00 0.00 H new ATOM 0 HB3 SER B 67 24.579 -8.093 6.246 1.00 0.00 H new ATOM 0 HG SER B 67 26.325 -6.900 6.197 1.00 0.00 H new ATOM 898 N VAL B 68 21.130 -7.304 4.548 1.00 0.00 N ATOM 899 CA VAL B 68 19.812 -7.914 4.643 1.00 0.00 C ATOM 900 C VAL B 68 19.853 -9.448 4.727 1.00 0.00 C ATOM 901 O VAL B 68 19.037 -10.052 5.429 1.00 0.00 O ATOM 902 CB VAL B 68 18.942 -7.486 3.442 1.00 0.00 C ATOM 903 CG1 VAL B 68 17.532 -8.022 3.569 1.00 0.00 C ATOM 904 CG2 VAL B 68 18.926 -5.972 3.309 1.00 0.00 C ATOM 0 H VAL B 68 21.305 -6.831 3.662 1.00 0.00 H new ATOM 0 HA VAL B 68 19.376 -7.557 5.576 1.00 0.00 H new ATOM 0 HB VAL B 68 19.383 -7.911 2.540 1.00 0.00 H new ATOM 0 HG11 VAL B 68 16.943 -7.704 2.709 1.00 0.00 H new ATOM 0 HG12 VAL B 68 17.559 -9.111 3.608 1.00 0.00 H new ATOM 0 HG13 VAL B 68 17.077 -7.637 4.482 1.00 0.00 H new ATOM 0 HG21 VAL B 68 18.308 -5.688 2.457 1.00 0.00 H new ATOM 0 HG22 VAL B 68 18.516 -5.531 4.218 1.00 0.00 H new ATOM 0 HG23 VAL B 68 19.943 -5.609 3.157 1.00 0.00 H new ATOM 914 N LEU B 69 20.776 -10.078 4.002 1.00 0.00 N ATOM 915 CA LEU B 69 20.865 -11.541 4.001 1.00 0.00 C ATOM 916 C LEU B 69 21.270 -12.102 5.359 1.00 0.00 C ATOM 917 O LEU B 69 20.685 -13.084 5.820 1.00 0.00 O ATOM 918 CB LEU B 69 21.827 -12.045 2.920 1.00 0.00 C ATOM 919 CG LEU B 69 23.300 -11.691 3.122 1.00 0.00 C ATOM 920 CD1 LEU B 69 24.149 -12.950 3.161 1.00 0.00 C ATOM 921 CD2 LEU B 69 23.777 -10.769 2.020 1.00 0.00 C ATOM 0 H LEU B 69 21.465 -9.608 3.415 1.00 0.00 H new ATOM 0 HA LEU B 69 19.862 -11.904 3.777 1.00 0.00 H new ATOM 0 HB2 LEU B 69 21.739 -13.130 2.859 1.00 0.00 H new ATOM 0 HB3 LEU B 69 21.505 -11.644 1.959 1.00 0.00 H new ATOM 0 HG LEU B 69 23.403 -11.175 4.076 1.00 0.00 H new ATOM 0 HD11 LEU B 69 25.195 -12.679 3.305 1.00 0.00 H new ATOM 0 HD12 LEU B 69 23.821 -13.584 3.985 1.00 0.00 H new ATOM 0 HD13 LEU B 69 24.041 -13.491 2.221 1.00 0.00 H new ATOM 0 HD21 LEU B 69 24.828 -10.526 2.178 1.00 0.00 H new ATOM 0 HD22 LEU B 69 23.660 -11.264 1.056 1.00 0.00 H new ATOM 0 HD23 LEU B 69 23.187 -9.852 2.032 1.00 0.00 H new ATOM 933 N LYS B 70 22.267 -11.502 6.006 1.00 0.00 N ATOM 934 CA LYS B 70 22.707 -11.993 7.296 1.00 0.00 C ATOM 935 C LYS B 70 21.751 -11.552 8.400 1.00 0.00 C ATOM 936 O LYS B 70 21.908 -11.922 9.562 1.00 0.00 O ATOM 937 CB LYS B 70 24.147 -11.562 7.585 1.00 0.00 C ATOM 938 CG LYS B 70 24.340 -10.105 7.971 1.00 0.00 C ATOM 939 CD LYS B 70 25.803 -9.830 8.304 1.00 0.00 C ATOM 940 CE LYS B 70 26.003 -8.443 8.893 1.00 0.00 C ATOM 941 NZ LYS B 70 25.225 -8.247 10.144 1.00 0.00 N ATOM 0 H LYS B 70 22.774 -10.688 5.659 1.00 0.00 H new ATOM 0 HA LYS B 70 22.695 -13.083 7.270 1.00 0.00 H new ATOM 0 HB2 LYS B 70 24.538 -12.185 8.389 1.00 0.00 H new ATOM 0 HB3 LYS B 70 24.751 -11.766 6.701 1.00 0.00 H new ATOM 0 HG2 LYS B 70 24.020 -9.460 7.152 1.00 0.00 H new ATOM 0 HG3 LYS B 70 23.714 -9.864 8.830 1.00 0.00 H new ATOM 0 HD2 LYS B 70 26.161 -10.579 9.011 1.00 0.00 H new ATOM 0 HD3 LYS B 70 26.405 -9.931 7.401 1.00 0.00 H new ATOM 0 HE2 LYS B 70 27.062 -8.286 9.097 1.00 0.00 H new ATOM 0 HE3 LYS B 70 25.705 -7.693 8.161 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 25.620 -7.446 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 24.232 -8.050 9.908 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 25.278 -9.108 10.724 1.00 0.00 H new ATOM 955 N LYS B 71 20.728 -10.791 8.017 1.00 0.00 N ATOM 956 CA LYS B 71 19.717 -10.339 8.956 1.00 0.00 C ATOM 957 C LYS B 71 18.523 -11.291 8.877 1.00 0.00 C ATOM 958 O LYS B 71 17.359 -10.876 8.891 1.00 0.00 O ATOM 959 CB LYS B 71 19.304 -8.896 8.640 1.00 0.00 C ATOM 960 CG LYS B 71 18.659 -8.179 9.817 1.00 0.00 C ATOM 961 CD LYS B 71 19.259 -6.797 10.036 1.00 0.00 C ATOM 962 CE LYS B 71 18.766 -6.189 11.341 1.00 0.00 C ATOM 963 NZ LYS B 71 19.365 -4.853 11.609 1.00 0.00 N ATOM 0 H LYS B 71 20.582 -10.476 7.058 1.00 0.00 H new ATOM 0 HA LYS B 71 20.114 -10.347 9.971 1.00 0.00 H new ATOM 0 HB2 LYS B 71 20.183 -8.336 8.321 1.00 0.00 H new ATOM 0 HB3 LYS B 71 18.608 -8.901 7.801 1.00 0.00 H new ATOM 0 HG2 LYS B 71 17.587 -8.086 9.643 1.00 0.00 H new ATOM 0 HG3 LYS B 71 18.785 -8.777 10.720 1.00 0.00 H new ATOM 0 HD2 LYS B 71 20.347 -6.867 10.051 1.00 0.00 H new ATOM 0 HD3 LYS B 71 18.993 -6.145 9.204 1.00 0.00 H new ATOM 0 HE2 LYS B 71 17.680 -6.097 11.308 1.00 0.00 H new ATOM 0 HE3 LYS B 71 19.004 -6.862 12.165 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 18.998 -4.482 12.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 20.400 -4.942 11.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 19.117 -4.200 10.838 1.00 0.00 H new ATOM 977 N VAL B 72 18.851 -12.587 8.777 1.00 0.00 N ATOM 978 CA VAL B 72 17.874 -13.663 8.678 1.00 0.00 C ATOM 979 C VAL B 72 16.994 -13.474 7.437 1.00 0.00 C ATOM 980 O VAL B 72 15.783 -13.695 7.478 1.00 0.00 O ATOM 981 CB VAL B 72 17.015 -13.735 9.963 1.00 0.00 C ATOM 982 CG1 VAL B 72 16.177 -15.008 10.020 1.00 0.00 C ATOM 983 CG2 VAL B 72 17.895 -13.637 11.203 1.00 0.00 C ATOM 0 H VAL B 72 19.817 -12.914 8.763 1.00 0.00 H new ATOM 0 HA VAL B 72 18.406 -14.609 8.575 1.00 0.00 H new ATOM 0 HB VAL B 72 16.331 -12.886 9.939 1.00 0.00 H new ATOM 0 HG11 VAL B 72 15.590 -15.016 10.938 1.00 0.00 H new ATOM 0 HG12 VAL B 72 15.507 -15.041 9.161 1.00 0.00 H new ATOM 0 HG13 VAL B 72 16.834 -15.877 10.001 1.00 0.00 H new ATOM 0 HG21 VAL B 72 17.272 -13.690 12.096 1.00 0.00 H new ATOM 0 HG22 VAL B 72 18.608 -14.461 11.209 1.00 0.00 H new ATOM 0 HG23 VAL B 72 18.435 -12.690 11.192 1.00 0.00 H new ATOM 993 N ALA B 73 17.621 -13.044 6.334 1.00 0.00 N ATOM 994 CA ALA B 73 16.914 -12.795 5.074 1.00 0.00 C ATOM 995 C ALA B 73 15.714 -11.886 5.320 1.00 0.00 C ATOM 996 O ALA B 73 14.584 -12.208 4.946 1.00 0.00 O ATOM 997 CB ALA B 73 16.481 -14.104 4.424 1.00 0.00 C ATOM 0 H ALA B 73 18.623 -12.861 6.291 1.00 0.00 H new ATOM 0 HA ALA B 73 17.595 -12.294 4.386 1.00 0.00 H new ATOM 0 HB1 ALA B 73 15.959 -13.892 3.491 1.00 0.00 H new ATOM 0 HB2 ALA B 73 17.359 -14.716 4.217 1.00 0.00 H new ATOM 0 HB3 ALA B 73 15.815 -14.642 5.098 1.00 0.00 H new ATOM 1003 N CYS B 74 15.996 -10.765 5.991 1.00 0.00 N ATOM 1004 CA CYS B 74 15.001 -9.757 6.378 1.00 0.00 C ATOM 1005 C CYS B 74 13.757 -10.347 7.041 1.00 0.00 C ATOM 1006 O CYS B 74 12.650 -9.849 6.852 1.00 0.00 O ATOM 1007 CB CYS B 74 14.608 -8.824 5.220 1.00 0.00 C ATOM 1008 SG CYS B 74 14.353 -9.590 3.585 1.00 0.00 S ATOM 0 H CYS B 74 16.943 -10.527 6.287 1.00 0.00 H new ATOM 0 HA CYS B 74 15.508 -9.154 7.132 1.00 0.00 H new ATOM 0 HB2 CYS B 74 13.689 -8.308 5.499 1.00 0.00 H new ATOM 0 HB3 CYS B 74 15.383 -8.064 5.120 1.00 0.00 H new ATOM 1013 N ALA B 75 13.943 -11.380 7.856 1.00 0.00 N ATOM 1014 CA ALA B 75 12.828 -11.987 8.567 1.00 0.00 C ATOM 1015 C ALA B 75 12.782 -11.497 10.009 1.00 0.00 C ATOM 1016 O ALA B 75 12.009 -11.995 10.826 1.00 0.00 O ATOM 1017 CB ALA B 75 12.919 -13.504 8.530 1.00 0.00 C ATOM 0 H ALA B 75 14.849 -11.811 8.039 1.00 0.00 H new ATOM 0 HA ALA B 75 11.908 -11.687 8.066 1.00 0.00 H new ATOM 0 HB1 ALA B 75 12.074 -13.932 9.069 1.00 0.00 H new ATOM 0 HB2 ALA B 75 12.900 -13.845 7.495 1.00 0.00 H new ATOM 0 HB3 ALA B 75 13.849 -13.824 9.000 1.00 0.00 H new ATOM 1023 N ALA B 76 13.625 -10.518 10.316 1.00 0.00 N ATOM 1024 CA ALA B 76 13.694 -9.958 11.659 1.00 0.00 C ATOM 1025 C ALA B 76 12.727 -8.792 11.824 1.00 0.00 C ATOM 1026 O ALA B 76 11.793 -8.859 12.618 1.00 0.00 O ATOM 1027 CB ALA B 76 15.119 -9.514 11.971 1.00 0.00 C ATOM 0 H ALA B 76 14.272 -10.095 9.650 1.00 0.00 H new ATOM 0 HA ALA B 76 13.402 -10.736 12.364 1.00 0.00 H new ATOM 0 HB1 ALA B 76 15.158 -9.097 12.977 1.00 0.00 H new ATOM 0 HB2 ALA B 76 15.789 -10.371 11.907 1.00 0.00 H new ATOM 0 HB3 ALA B 76 15.430 -8.756 11.252 1.00 0.00 H new ATOM 1033 N ALA B 77 12.964 -7.718 11.080 1.00 0.00 N ATOM 1034 CA ALA B 77 12.116 -6.531 11.163 1.00 0.00 C ATOM 1035 C ALA B 77 10.921 -6.606 10.222 1.00 0.00 C ATOM 1036 O ALA B 77 9.906 -5.958 10.450 1.00 0.00 O ATOM 1037 CB ALA B 77 12.929 -5.281 10.863 1.00 0.00 C ATOM 0 H ALA B 77 13.733 -7.643 10.414 1.00 0.00 H new ATOM 0 HA ALA B 77 11.730 -6.485 12.181 1.00 0.00 H new ATOM 0 HB1 ALA B 77 12.285 -4.404 10.928 1.00 0.00 H new ATOM 0 HB2 ALA B 77 13.739 -5.191 11.587 1.00 0.00 H new ATOM 0 HB3 ALA B 77 13.346 -5.351 9.858 1.00 0.00 H new ATOM 1043 N ILE B 78 11.043 -7.383 9.159 1.00 0.00 N ATOM 1044 CA ILE B 78 9.968 -7.510 8.190 1.00 0.00 C ATOM 1045 C ILE B 78 9.017 -8.634 8.572 1.00 0.00 C ATOM 1046 O ILE B 78 7.816 -8.416 8.710 1.00 0.00 O ATOM 1047 CB ILE B 78 10.550 -7.710 6.771 1.00 0.00 C ATOM 1048 CG1 ILE B 78 10.991 -6.359 6.222 1.00 0.00 C ATOM 1049 CG2 ILE B 78 9.560 -8.366 5.817 1.00 0.00 C ATOM 1050 CD1 ILE B 78 11.957 -6.466 5.068 1.00 0.00 C ATOM 0 H ILE B 78 11.874 -7.934 8.945 1.00 0.00 H new ATOM 0 HA ILE B 78 9.388 -6.587 8.189 1.00 0.00 H new ATOM 0 HB ILE B 78 11.401 -8.386 6.851 1.00 0.00 H new ATOM 0 HG12 ILE B 78 10.111 -5.802 5.899 1.00 0.00 H new ATOM 0 HG13 ILE B 78 11.456 -5.784 7.023 1.00 0.00 H new ATOM 0 HG21 ILE B 78 10.022 -8.482 4.836 1.00 0.00 H new ATOM 0 HG22 ILE B 78 9.277 -9.345 6.203 1.00 0.00 H new ATOM 0 HG23 ILE B 78 8.672 -7.741 5.728 1.00 0.00 H new ATOM 0 HD11 ILE B 78 12.229 -5.467 4.727 1.00 0.00 H new ATOM 0 HD12 ILE B 78 12.853 -6.995 5.392 1.00 0.00 H new ATOM 0 HD13 ILE B 78 11.488 -7.013 4.250 1.00 0.00 H new ATOM 1062 N ALA B 79 9.553 -9.832 8.758 1.00 0.00 N ATOM 1063 CA ALA B 79 8.726 -10.963 9.134 1.00 0.00 C ATOM 1064 C ALA B 79 8.396 -10.940 10.621 1.00 0.00 C ATOM 1065 O ALA B 79 7.419 -11.545 11.056 1.00 0.00 O ATOM 1066 CB ALA B 79 9.393 -12.276 8.756 1.00 0.00 C ATOM 0 H ALA B 79 10.546 -10.042 8.655 1.00 0.00 H new ATOM 0 HA ALA B 79 7.790 -10.882 8.581 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.752 -13.107 9.049 1.00 0.00 H new ATOM 0 HB2 ALA B 79 9.555 -12.305 7.678 1.00 0.00 H new ATOM 0 HB3 ALA B 79 10.351 -12.358 9.269 1.00 0.00 H new ATOM 1072 N GLY B 80 9.207 -10.226 11.397 1.00 0.00 N ATOM 1073 CA GLY B 80 8.972 -10.131 12.823 1.00 0.00 C ATOM 1074 C GLY B 80 7.849 -9.174 13.139 1.00 0.00 C ATOM 1075 O GLY B 80 7.084 -9.387 14.082 1.00 0.00 O ATOM 0 H GLY B 80 10.022 -9.712 11.062 1.00 0.00 H new ATOM 0 HA2 GLY B 80 8.732 -11.118 13.219 1.00 0.00 H new ATOM 0 HA3 GLY B 80 9.883 -9.800 13.321 1.00 0.00 H new ATOM 1079 N ALA B 81 7.735 -8.120 12.336 1.00 0.00 N ATOM 1080 CA ALA B 81 6.687 -7.132 12.527 1.00 0.00 C ATOM 1081 C ALA B 81 5.329 -7.707 12.146 1.00 0.00 C ATOM 1082 O ALA B 81 4.287 -7.191 12.550 1.00 0.00 O ATOM 1083 CB ALA B 81 6.978 -5.874 11.728 1.00 0.00 C ATOM 0 H ALA B 81 8.356 -7.931 11.549 1.00 0.00 H new ATOM 0 HA ALA B 81 6.662 -6.865 13.584 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.180 -5.149 11.887 1.00 0.00 H new ATOM 0 HB2 ALA B 81 7.926 -5.447 12.054 1.00 0.00 H new ATOM 0 HB3 ALA B 81 7.037 -6.122 10.668 1.00 0.00 H new ATOM 1089 N VAL B 82 5.355 -8.797 11.383 1.00 0.00 N ATOM 1090 CA VAL B 82 4.152 -9.476 10.960 1.00 0.00 C ATOM 1091 C VAL B 82 3.419 -10.037 12.175 1.00 0.00 C ATOM 1092 O VAL B 82 2.198 -9.938 12.278 1.00 0.00 O ATOM 1093 CB VAL B 82 4.505 -10.610 9.974 1.00 0.00 C ATOM 1094 CG1 VAL B 82 3.288 -11.438 9.640 1.00 0.00 C ATOM 1095 CG2 VAL B 82 5.119 -10.037 8.707 1.00 0.00 C ATOM 0 H VAL B 82 6.216 -9.228 11.045 1.00 0.00 H new ATOM 0 HA VAL B 82 3.499 -8.765 10.454 1.00 0.00 H new ATOM 0 HB VAL B 82 5.235 -11.261 10.455 1.00 0.00 H new ATOM 0 HG11 VAL B 82 3.566 -12.229 8.944 1.00 0.00 H new ATOM 0 HG12 VAL B 82 2.888 -11.881 10.552 1.00 0.00 H new ATOM 0 HG13 VAL B 82 2.530 -10.802 9.183 1.00 0.00 H new ATOM 0 HG21 VAL B 82 5.363 -10.849 8.021 1.00 0.00 H new ATOM 0 HG22 VAL B 82 4.408 -9.361 8.231 1.00 0.00 H new ATOM 0 HG23 VAL B 82 6.027 -9.489 8.958 1.00 0.00 H new ATOM 1105 N ALA B 83 4.180 -10.604 13.106 1.00 0.00 N ATOM 1106 CA ALA B 83 3.610 -11.161 14.325 1.00 0.00 C ATOM 1107 C ALA B 83 3.158 -10.055 15.274 1.00 0.00 C ATOM 1108 O ALA B 83 2.309 -10.272 16.136 1.00 0.00 O ATOM 1109 CB ALA B 83 4.617 -12.069 15.017 1.00 0.00 C ATOM 0 H ALA B 83 5.194 -10.689 13.038 1.00 0.00 H new ATOM 0 HA ALA B 83 2.736 -11.751 14.048 1.00 0.00 H new ATOM 0 HB1 ALA B 83 4.175 -12.477 15.926 1.00 0.00 H new ATOM 0 HB2 ALA B 83 4.890 -12.886 14.349 1.00 0.00 H new ATOM 0 HB3 ALA B 83 5.508 -11.496 15.273 1.00 0.00 H new ATOM 1115 N ALA B 84 3.737 -8.869 15.107 1.00 0.00 N ATOM 1116 CA ALA B 84 3.404 -7.725 15.943 1.00 0.00 C ATOM 1117 C ALA B 84 2.106 -7.061 15.493 1.00 0.00 C ATOM 1118 O ALA B 84 1.303 -6.629 16.319 1.00 0.00 O ATOM 1119 CB ALA B 84 4.542 -6.715 15.939 1.00 0.00 C ATOM 0 H ALA B 84 4.442 -8.677 14.396 1.00 0.00 H new ATOM 0 HA ALA B 84 3.257 -8.090 16.960 1.00 0.00 H new ATOM 0 HB1 ALA B 84 4.277 -5.866 16.569 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.447 -7.185 16.325 1.00 0.00 H new ATOM 0 HB3 ALA B 84 4.719 -6.370 14.920 1.00 0.00 H new ATOM 1125 N CYS B 85 1.904 -6.964 14.183 1.00 0.00 N ATOM 1126 CA CYS B 85 0.698 -6.336 13.655 1.00 0.00 C ATOM 1127 C CYS B 85 -0.419 -7.365 13.478 1.00 0.00 C ATOM 1128 O CYS B 85 -1.600 -7.022 13.503 1.00 0.00 O ATOM 1129 CB CYS B 85 0.988 -5.632 12.326 1.00 0.00 C ATOM 1130 SG CYS B 85 -0.370 -4.557 11.751 1.00 0.00 S ATOM 0 H CYS B 85 2.552 -7.308 13.474 1.00 0.00 H new ATOM 0 HA CYS B 85 0.367 -5.589 14.376 1.00 0.00 H new ATOM 0 HB2 CYS B 85 1.893 -5.033 12.432 1.00 0.00 H new ATOM 0 HB3 CYS B 85 1.191 -6.384 11.564 1.00 0.00 H new ATOM 1135 N GLY B 86 -0.043 -8.629 13.303 1.00 0.00 N ATOM 1136 CA GLY B 86 -1.033 -9.678 13.128 1.00 0.00 C ATOM 1137 C GLY B 86 -1.279 -10.001 11.668 1.00 0.00 C ATOM 1138 O GLY B 86 -2.400 -10.326 11.276 1.00 0.00 O ATOM 0 H GLY B 86 0.926 -8.945 13.279 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -0.701 -10.578 13.646 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -1.970 -9.371 13.592 1.00 0.00 H new ATOM 1142 N GLY B 87 -0.226 -9.909 10.868 1.00 0.00 N ATOM 1143 CA GLY B 87 -0.326 -10.186 9.448 1.00 0.00 C ATOM 1144 C GLY B 87 0.632 -9.330 8.650 1.00 0.00 C ATOM 1145 O GLY B 87 1.151 -8.335 9.162 1.00 0.00 O ATOM 0 H GLY B 87 0.708 -9.644 11.182 1.00 0.00 H new ATOM 0 HA2 GLY B 87 -0.114 -11.239 9.265 1.00 0.00 H new ATOM 0 HA3 GLY B 87 -1.346 -10.004 9.111 1.00 0.00 H new ATOM 1149 N ILE B 88 0.882 -9.702 7.404 1.00 0.00 N ATOM 1150 CA ILE B 88 1.792 -8.937 6.568 1.00 0.00 C ATOM 1151 C ILE B 88 1.020 -8.162 5.498 1.00 0.00 C ATOM 1152 O ILE B 88 0.214 -8.730 4.757 1.00 0.00 O ATOM 1153 CB ILE B 88 2.879 -9.852 5.925 1.00 0.00 C ATOM 1154 CG1 ILE B 88 3.909 -9.035 5.135 1.00 0.00 C ATOM 1155 CG2 ILE B 88 2.256 -10.902 5.020 1.00 0.00 C ATOM 1156 CD1 ILE B 88 3.515 -8.760 3.692 1.00 0.00 C ATOM 0 H ILE B 88 0.472 -10.520 6.954 1.00 0.00 H new ATOM 0 HA ILE B 88 2.307 -8.217 7.204 1.00 0.00 H new ATOM 0 HB ILE B 88 3.391 -10.355 6.745 1.00 0.00 H new ATOM 0 HG12 ILE B 88 4.069 -8.084 5.643 1.00 0.00 H new ATOM 0 HG13 ILE B 88 4.861 -9.565 5.145 1.00 0.00 H new ATOM 0 HG21 ILE B 88 3.041 -11.522 4.588 1.00 0.00 H new ATOM 0 HG22 ILE B 88 1.578 -11.527 5.601 1.00 0.00 H new ATOM 0 HG23 ILE B 88 1.701 -10.411 4.221 1.00 0.00 H new ATOM 0 HD11 ILE B 88 4.298 -8.178 3.206 1.00 0.00 H new ATOM 0 HD12 ILE B 88 3.385 -9.705 3.164 1.00 0.00 H new ATOM 0 HD13 ILE B 88 2.580 -8.200 3.670 1.00 0.00 H new ATOM 1168 N ASP B 89 1.273 -6.861 5.428 1.00 0.00 N ATOM 1169 CA ASP B 89 0.622 -5.995 4.453 1.00 0.00 C ATOM 1170 C ASP B 89 1.587 -4.908 3.975 1.00 0.00 C ATOM 1171 O ASP B 89 1.866 -4.828 2.777 1.00 0.00 O ATOM 1172 CB ASP B 89 -0.681 -5.377 5.016 1.00 0.00 C ATOM 1173 CG ASP B 89 -0.529 -4.653 6.349 1.00 0.00 C ATOM 1174 OD1 ASP B 89 0.545 -4.741 6.972 1.00 0.00 O ATOM 1175 OD2 ASP B 89 -1.504 -4.008 6.780 1.00 0.00 O ATOM 0 H ASP B 89 1.931 -6.379 6.041 1.00 0.00 H new ATOM 0 HA ASP B 89 0.342 -6.608 3.596 1.00 0.00 H new ATOM 0 HB2 ASP B 89 -1.079 -4.676 4.282 1.00 0.00 H new ATOM 0 HB3 ASP B 89 -1.420 -6.170 5.133 1.00 0.00 H new ATOM 1180 N LEU B 90 2.069 -4.103 4.944 1.00 0.00 N ATOM 1181 CA LEU B 90 3.013 -2.973 4.756 1.00 0.00 C ATOM 1182 C LEU B 90 2.524 -1.734 5.526 1.00 0.00 C ATOM 1183 O LEU B 90 3.297 -1.144 6.283 1.00 0.00 O ATOM 1184 CB LEU B 90 3.259 -2.602 3.282 1.00 0.00 C ATOM 1185 CG LEU B 90 4.171 -1.391 3.025 1.00 0.00 C ATOM 1186 CD1 LEU B 90 5.567 -1.588 3.609 1.00 0.00 C ATOM 1187 CD2 LEU B 90 4.252 -1.114 1.533 1.00 0.00 C ATOM 0 H LEU B 90 1.802 -4.224 5.921 1.00 0.00 H new ATOM 0 HA LEU B 90 3.968 -3.316 5.153 1.00 0.00 H new ATOM 0 HB2 LEU B 90 3.691 -3.468 2.779 1.00 0.00 H new ATOM 0 HB3 LEU B 90 2.294 -2.409 2.813 1.00 0.00 H new ATOM 0 HG LEU B 90 3.732 -0.531 3.531 1.00 0.00 H new ATOM 0 HD11 LEU B 90 6.175 -0.707 3.403 1.00 0.00 H new ATOM 0 HD12 LEU B 90 5.493 -1.734 4.687 1.00 0.00 H new ATOM 0 HD13 LEU B 90 6.031 -2.464 3.155 1.00 0.00 H new ATOM 0 HD21 LEU B 90 4.899 -0.255 1.357 1.00 0.00 H new ATOM 0 HD22 LEU B 90 4.660 -1.986 1.023 1.00 0.00 H new ATOM 0 HD23 LEU B 90 3.255 -0.902 1.148 1.00 0.00 H new ATOM 1199 N PRO B 91 1.238 -1.306 5.339 1.00 0.00 N ATOM 1200 CA PRO B 91 0.668 -0.125 6.009 1.00 0.00 C ATOM 1201 C PRO B 91 0.998 -0.014 7.496 1.00 0.00 C ATOM 1202 O PRO B 91 1.210 1.082 7.999 1.00 0.00 O ATOM 1203 CB PRO B 91 -0.851 -0.281 5.837 1.00 0.00 C ATOM 1204 CG PRO B 91 -1.074 -1.533 5.049 1.00 0.00 C ATOM 1205 CD PRO B 91 0.244 -1.914 4.437 1.00 0.00 C ATOM 0 HA PRO B 91 1.087 0.779 5.567 1.00 0.00 H new ATOM 0 HB2 PRO B 91 -1.345 -0.342 6.807 1.00 0.00 H new ATOM 0 HB3 PRO B 91 -1.271 0.581 5.319 1.00 0.00 H new ATOM 0 HG2 PRO B 91 -1.445 -2.331 5.692 1.00 0.00 H new ATOM 0 HG3 PRO B 91 -1.825 -1.372 4.276 1.00 0.00 H new ATOM 0 HD2 PRO B 91 0.362 -2.996 4.383 1.00 0.00 H new ATOM 0 HD3 PRO B 91 0.339 -1.531 3.421 1.00 0.00 H new ATOM 1213 N CYS B 92 1.014 -1.129 8.207 1.00 0.00 N ATOM 1214 CA CYS B 92 1.300 -1.085 9.629 1.00 0.00 C ATOM 1215 C CYS B 92 2.708 -1.581 9.933 1.00 0.00 C ATOM 1216 O CYS B 92 3.337 -1.137 10.896 1.00 0.00 O ATOM 1217 CB CYS B 92 0.283 -1.916 10.409 1.00 0.00 C ATOM 1218 SG CYS B 92 0.344 -3.702 10.053 1.00 0.00 S ATOM 0 H CYS B 92 0.836 -2.060 7.830 1.00 0.00 H new ATOM 0 HA CYS B 92 1.229 -0.043 9.941 1.00 0.00 H new ATOM 0 HB2 CYS B 92 0.449 -1.764 11.476 1.00 0.00 H new ATOM 0 HB3 CYS B 92 -0.718 -1.547 10.186 1.00 0.00 H new ATOM 1223 N VAL B 93 3.184 -2.510 9.113 1.00 0.00 N ATOM 1224 CA VAL B 93 4.501 -3.107 9.269 1.00 0.00 C ATOM 1225 C VAL B 93 5.636 -2.077 9.110 1.00 0.00 C ATOM 1226 O VAL B 93 6.803 -2.387 9.355 1.00 0.00 O ATOM 1227 CB VAL B 93 4.676 -4.238 8.233 1.00 0.00 C ATOM 1228 CG1 VAL B 93 5.836 -5.132 8.591 1.00 0.00 C ATOM 1229 CG2 VAL B 93 3.406 -5.061 8.110 1.00 0.00 C ATOM 0 H VAL B 93 2.661 -2.872 8.315 1.00 0.00 H new ATOM 0 HA VAL B 93 4.565 -3.505 10.282 1.00 0.00 H new ATOM 0 HB VAL B 93 4.886 -3.770 7.271 1.00 0.00 H new ATOM 0 HG11 VAL B 93 5.934 -5.919 7.843 1.00 0.00 H new ATOM 0 HG12 VAL B 93 6.753 -4.544 8.621 1.00 0.00 H new ATOM 0 HG13 VAL B 93 5.661 -5.581 9.569 1.00 0.00 H new ATOM 0 HG21 VAL B 93 3.554 -5.851 7.374 1.00 0.00 H new ATOM 0 HG22 VAL B 93 3.165 -5.505 9.076 1.00 0.00 H new ATOM 0 HG23 VAL B 93 2.585 -4.418 7.791 1.00 0.00 H new ATOM 1239 N LEU B 94 5.292 -0.852 8.711 1.00 0.00 N ATOM 1240 CA LEU B 94 6.283 0.208 8.532 1.00 0.00 C ATOM 1241 C LEU B 94 6.996 0.529 9.851 1.00 0.00 C ATOM 1242 O LEU B 94 8.095 1.078 9.848 1.00 0.00 O ATOM 1243 CB LEU B 94 5.622 1.482 7.962 1.00 0.00 C ATOM 1244 CG LEU B 94 4.616 2.203 8.879 1.00 0.00 C ATOM 1245 CD1 LEU B 94 5.319 3.151 9.841 1.00 0.00 C ATOM 1246 CD2 LEU B 94 3.600 2.973 8.059 1.00 0.00 C ATOM 0 H LEU B 94 4.334 -0.570 8.506 1.00 0.00 H new ATOM 0 HA LEU B 94 7.026 -0.151 7.820 1.00 0.00 H new ATOM 0 HB2 LEU B 94 6.411 2.187 7.699 1.00 0.00 H new ATOM 0 HB3 LEU B 94 5.111 1.216 7.037 1.00 0.00 H new ATOM 0 HG LEU B 94 4.103 1.438 9.462 1.00 0.00 H new ATOM 0 HD11 LEU B 94 4.579 3.643 10.473 1.00 0.00 H new ATOM 0 HD12 LEU B 94 6.012 2.588 10.465 1.00 0.00 H new ATOM 0 HD13 LEU B 94 5.869 3.902 9.274 1.00 0.00 H new ATOM 0 HD21 LEU B 94 2.899 3.475 8.726 1.00 0.00 H new ATOM 0 HD22 LEU B 94 4.113 3.715 7.447 1.00 0.00 H new ATOM 0 HD23 LEU B 94 3.056 2.284 7.413 1.00 0.00 H new ATOM 1258 N ALA B 95 6.346 0.199 10.971 1.00 0.00 N ATOM 1259 CA ALA B 95 6.892 0.464 12.304 1.00 0.00 C ATOM 1260 C ALA B 95 8.300 -0.097 12.478 1.00 0.00 C ATOM 1261 O ALA B 95 9.246 0.647 12.740 1.00 0.00 O ATOM 1262 CB ALA B 95 5.972 -0.110 13.371 1.00 0.00 C ATOM 0 H ALA B 95 5.433 -0.256 10.979 1.00 0.00 H new ATOM 0 HA ALA B 95 6.956 1.546 12.415 1.00 0.00 H new ATOM 0 HB1 ALA B 95 6.388 0.093 14.358 1.00 0.00 H new ATOM 0 HB2 ALA B 95 4.988 0.352 13.290 1.00 0.00 H new ATOM 0 HB3 ALA B 95 5.880 -1.187 13.231 1.00 0.00 H new ATOM 1268 N ALA B 96 8.433 -1.409 12.336 1.00 0.00 N ATOM 1269 CA ALA B 96 9.730 -2.062 12.486 1.00 0.00 C ATOM 1270 C ALA B 96 10.587 -1.878 11.241 1.00 0.00 C ATOM 1271 O ALA B 96 11.797 -2.109 11.270 1.00 0.00 O ATOM 1272 CB ALA B 96 9.549 -3.543 12.778 1.00 0.00 C ATOM 0 H ALA B 96 7.663 -2.041 12.118 1.00 0.00 H new ATOM 0 HA ALA B 96 10.243 -1.594 13.326 1.00 0.00 H new ATOM 0 HB1 ALA B 96 10.526 -4.014 12.887 1.00 0.00 H new ATOM 0 HB2 ALA B 96 8.982 -3.665 13.701 1.00 0.00 H new ATOM 0 HB3 ALA B 96 9.009 -4.013 11.956 1.00 0.00 H new ATOM 1278 N LEU B 97 9.946 -1.471 10.149 1.00 0.00 N ATOM 1279 CA LEU B 97 10.636 -1.261 8.882 1.00 0.00 C ATOM 1280 C LEU B 97 11.460 0.024 8.917 1.00 0.00 C ATOM 1281 O LEU B 97 12.589 0.056 8.430 1.00 0.00 O ATOM 1282 CB LEU B 97 9.628 -1.211 7.730 1.00 0.00 C ATOM 1283 CG LEU B 97 10.230 -1.374 6.332 1.00 0.00 C ATOM 1284 CD1 LEU B 97 10.950 -2.710 6.212 1.00 0.00 C ATOM 1285 CD2 LEU B 97 9.145 -1.251 5.275 1.00 0.00 C ATOM 0 H LEU B 97 8.945 -1.279 10.117 1.00 0.00 H new ATOM 0 HA LEU B 97 11.315 -2.099 8.722 1.00 0.00 H new ATOM 0 HB2 LEU B 97 8.886 -1.995 7.883 1.00 0.00 H new ATOM 0 HB3 LEU B 97 9.099 -0.259 7.772 1.00 0.00 H new ATOM 0 HG LEU B 97 10.960 -0.580 6.172 1.00 0.00 H new ATOM 0 HD11 LEU B 97 11.371 -2.808 5.211 1.00 0.00 H new ATOM 0 HD12 LEU B 97 11.751 -2.759 6.949 1.00 0.00 H new ATOM 0 HD13 LEU B 97 10.244 -3.521 6.389 1.00 0.00 H new ATOM 0 HD21 LEU B 97 9.586 -1.369 4.285 1.00 0.00 H new ATOM 0 HD22 LEU B 97 8.394 -2.026 5.432 1.00 0.00 H new ATOM 0 HD23 LEU B 97 8.675 -0.270 5.348 1.00 0.00 H new ATOM 1297 N LYS B 98 10.893 1.082 9.501 1.00 0.00 N ATOM 1298 CA LYS B 98 11.588 2.365 9.599 1.00 0.00 C ATOM 1299 C LYS B 98 12.784 2.273 10.537 1.00 0.00 C ATOM 1300 O LYS B 98 13.692 3.099 10.481 1.00 0.00 O ATOM 1301 CB LYS B 98 10.647 3.470 10.091 1.00 0.00 C ATOM 1302 CG LYS B 98 9.533 3.824 9.116 1.00 0.00 C ATOM 1303 CD LYS B 98 8.818 5.101 9.531 1.00 0.00 C ATOM 1304 CE LYS B 98 9.728 6.320 9.413 1.00 0.00 C ATOM 1305 NZ LYS B 98 9.108 7.545 9.984 1.00 0.00 N ATOM 0 H LYS B 98 9.959 1.075 9.911 1.00 0.00 H new ATOM 0 HA LYS B 98 11.938 2.614 8.597 1.00 0.00 H new ATOM 0 HB2 LYS B 98 10.202 3.158 11.036 1.00 0.00 H new ATOM 0 HB3 LYS B 98 11.233 4.366 10.296 1.00 0.00 H new ATOM 0 HG2 LYS B 98 9.948 3.946 8.116 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.817 3.004 9.066 1.00 0.00 H new ATOM 0 HD2 LYS B 98 7.936 5.244 8.907 1.00 0.00 H new ATOM 0 HD3 LYS B 98 8.469 5.005 10.559 1.00 0.00 H new ATOM 0 HE2 LYS B 98 10.669 6.119 9.925 1.00 0.00 H new ATOM 0 HE3 LYS B 98 9.967 6.492 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 9.763 8.346 9.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 8.223 7.754 9.479 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 8.903 7.393 10.992 1.00 0.00 H new ATOM 1319 N ALA B 99 12.779 1.269 11.403 1.00 0.00 N ATOM 1320 CA ALA B 99 13.866 1.078 12.355 1.00 0.00 C ATOM 1321 C ALA B 99 15.078 0.426 11.700 1.00 0.00 C ATOM 1322 O ALA B 99 16.154 0.371 12.293 1.00 0.00 O ATOM 1323 CB ALA B 99 13.396 0.241 13.533 1.00 0.00 C ATOM 0 H ALA B 99 12.035 0.574 11.466 1.00 0.00 H new ATOM 0 HA ALA B 99 14.168 2.062 12.712 1.00 0.00 H new ATOM 0 HB1 ALA B 99 14.219 0.107 14.235 1.00 0.00 H new ATOM 0 HB2 ALA B 99 12.571 0.748 14.033 1.00 0.00 H new ATOM 0 HB3 ALA B 99 13.061 -0.733 13.177 1.00 0.00 H new ATOM 1329 N ALA B 100 14.903 -0.068 10.482 1.00 0.00 N ATOM 1330 CA ALA B 100 15.987 -0.717 9.758 1.00 0.00 C ATOM 1331 C ALA B 100 16.473 0.157 8.604 1.00 0.00 C ATOM 1332 O ALA B 100 15.751 0.375 7.630 1.00 0.00 O ATOM 1333 CB ALA B 100 15.531 -2.075 9.254 1.00 0.00 C ATOM 0 H ALA B 100 14.019 -0.032 9.974 1.00 0.00 H new ATOM 0 HA ALA B 100 16.826 -0.860 10.440 1.00 0.00 H new ATOM 0 HB1 ALA B 100 16.347 -2.555 8.713 1.00 0.00 H new ATOM 0 HB2 ALA B 100 15.240 -2.698 10.100 1.00 0.00 H new ATOM 0 HB3 ALA B 100 14.679 -1.948 8.587 1.00 0.00 H new ATOM 1339 N GLU B 101 17.694 0.666 8.735 1.00 0.00 N ATOM 1340 CA GLU B 101 18.290 1.541 7.726 1.00 0.00 C ATOM 1341 C GLU B 101 18.572 0.810 6.411 1.00 0.00 C ATOM 1342 O GLU B 101 19.599 0.144 6.268 1.00 0.00 O ATOM 1343 CB GLU B 101 19.600 2.155 8.245 1.00 0.00 C ATOM 1344 CG GLU B 101 19.467 2.959 9.534 1.00 0.00 C ATOM 1345 CD GLU B 101 19.310 2.092 10.762 1.00 0.00 C ATOM 1346 OE1 GLU B 101 20.150 1.196 10.972 1.00 0.00 O ATOM 1347 OE2 GLU B 101 18.351 2.310 11.521 1.00 0.00 O ATOM 0 H GLU B 101 18.297 0.486 9.538 1.00 0.00 H new ATOM 0 HA GLU B 101 17.560 2.326 7.530 1.00 0.00 H new ATOM 0 HB2 GLU B 101 20.321 1.353 8.407 1.00 0.00 H new ATOM 0 HB3 GLU B 101 20.012 2.803 7.471 1.00 0.00 H new ATOM 0 HG2 GLU B 101 20.347 3.591 9.653 1.00 0.00 H new ATOM 0 HG3 GLU B 101 18.606 3.623 9.453 1.00 0.00 H new ATOM 1354 N GLY B 102 17.675 0.976 5.444 1.00 0.00 N ATOM 1355 CA GLY B 102 17.855 0.367 4.134 1.00 0.00 C ATOM 1356 C GLY B 102 17.690 -1.141 4.116 1.00 0.00 C ATOM 1357 O GLY B 102 18.379 -1.828 3.364 1.00 0.00 O ATOM 0 H GLY B 102 16.821 1.525 5.543 1.00 0.00 H new ATOM 0 HA2 GLY B 102 17.138 0.807 3.441 1.00 0.00 H new ATOM 0 HA3 GLY B 102 18.850 0.616 3.765 1.00 0.00 H new ATOM 1361 N CYS B 103 16.781 -1.668 4.923 1.00 0.00 N ATOM 1362 CA CYS B 103 16.560 -3.113 4.953 1.00 0.00 C ATOM 1363 C CYS B 103 15.241 -3.482 4.286 1.00 0.00 C ATOM 1364 O CYS B 103 14.756 -4.605 4.432 1.00 0.00 O ATOM 1365 CB CYS B 103 16.561 -3.638 6.386 1.00 0.00 C ATOM 1366 SG CYS B 103 18.065 -3.250 7.338 1.00 0.00 S ATOM 0 H CYS B 103 16.191 -1.130 5.558 1.00 0.00 H new ATOM 0 HA CYS B 103 17.379 -3.574 4.402 1.00 0.00 H new ATOM 0 HB2 CYS B 103 15.699 -3.225 6.910 1.00 0.00 H new ATOM 0 HB3 CYS B 103 16.432 -4.720 6.362 1.00 0.00 H new ATOM 1371 N ALA B 104 14.660 -2.539 3.555 1.00 0.00 N ATOM 1372 CA ALA B 104 13.395 -2.779 2.872 1.00 0.00 C ATOM 1373 C ALA B 104 13.614 -3.076 1.393 1.00 0.00 C ATOM 1374 O ALA B 104 12.740 -2.822 0.567 1.00 0.00 O ATOM 1375 CB ALA B 104 12.469 -1.583 3.040 1.00 0.00 C ATOM 0 H ALA B 104 15.043 -1.603 3.420 1.00 0.00 H new ATOM 0 HA ALA B 104 12.928 -3.654 3.325 1.00 0.00 H new ATOM 0 HB1 ALA B 104 11.528 -1.776 2.525 1.00 0.00 H new ATOM 0 HB2 ALA B 104 12.275 -1.419 4.100 1.00 0.00 H new ATOM 0 HB3 ALA B 104 12.940 -0.696 2.616 1.00 0.00 H new ATOM 1381 N SER B 105 14.782 -3.613 1.070 1.00 0.00 N ATOM 1382 CA SER B 105 15.123 -3.948 -0.307 1.00 0.00 C ATOM 1383 C SER B 105 14.371 -5.195 -0.768 1.00 0.00 C ATOM 1384 O SER B 105 13.582 -5.144 -1.710 1.00 0.00 O ATOM 1385 CB SER B 105 16.632 -4.163 -0.421 1.00 0.00 C ATOM 1386 OG SER B 105 17.130 -4.850 0.718 1.00 0.00 O ATOM 0 H SER B 105 15.514 -3.827 1.747 1.00 0.00 H new ATOM 0 HA SER B 105 14.826 -3.122 -0.953 1.00 0.00 H new ATOM 0 HB2 SER B 105 16.856 -4.734 -1.322 1.00 0.00 H new ATOM 0 HB3 SER B 105 17.135 -3.201 -0.520 1.00 0.00 H new ATOM 0 HG SER B 105 17.704 -5.589 0.429 1.00 0.00 H new ATOM 1392 N CYS B 106 14.622 -6.305 -0.080 1.00 0.00 N ATOM 1393 CA CYS B 106 13.979 -7.591 -0.379 1.00 0.00 C ATOM 1394 C CYS B 106 12.460 -7.477 -0.352 1.00 0.00 C ATOM 1395 O CYS B 106 11.755 -8.120 -1.128 1.00 0.00 O ATOM 1396 CB CYS B 106 14.407 -8.621 0.670 1.00 0.00 C ATOM 1397 SG CYS B 106 14.311 -7.966 2.368 1.00 0.00 S ATOM 0 H CYS B 106 15.276 -6.344 0.702 1.00 0.00 H new ATOM 0 HA CYS B 106 14.287 -7.897 -1.379 1.00 0.00 H new ATOM 0 HB2 CYS B 106 13.773 -9.504 0.588 1.00 0.00 H new ATOM 0 HB3 CYS B 106 15.428 -8.942 0.465 1.00 0.00 H new ATOM 1402 N PHE B 107 11.976 -6.684 0.583 1.00 0.00 N ATOM 1403 CA PHE B 107 10.552 -6.488 0.792 1.00 0.00 C ATOM 1404 C PHE B 107 9.943 -5.512 -0.211 1.00 0.00 C ATOM 1405 O PHE B 107 9.224 -5.913 -1.125 1.00 0.00 O ATOM 1406 CB PHE B 107 10.366 -5.963 2.212 1.00 0.00 C ATOM 1407 CG PHE B 107 8.953 -5.911 2.713 1.00 0.00 C ATOM 1408 CD1 PHE B 107 7.888 -6.381 1.963 1.00 0.00 C ATOM 1409 CD2 PHE B 107 8.704 -5.389 3.966 1.00 0.00 C ATOM 1410 CE1 PHE B 107 6.603 -6.324 2.459 1.00 0.00 C ATOM 1411 CE2 PHE B 107 7.431 -5.329 4.469 1.00 0.00 C ATOM 1412 CZ PHE B 107 6.373 -5.797 3.714 1.00 0.00 C ATOM 0 H PHE B 107 12.563 -6.152 1.225 1.00 0.00 H new ATOM 0 HA PHE B 107 10.038 -7.438 0.647 1.00 0.00 H new ATOM 0 HB2 PHE B 107 10.948 -6.589 2.889 1.00 0.00 H new ATOM 0 HB3 PHE B 107 10.787 -4.959 2.265 1.00 0.00 H new ATOM 0 HD1 PHE B 107 8.066 -6.796 0.982 1.00 0.00 H new ATOM 0 HD2 PHE B 107 9.527 -5.021 4.561 1.00 0.00 H new ATOM 0 HE1 PHE B 107 5.778 -6.691 1.867 1.00 0.00 H new ATOM 0 HE2 PHE B 107 7.255 -4.917 5.452 1.00 0.00 H new ATOM 0 HZ PHE B 107 5.367 -5.751 4.105 1.00 0.00 H new ATOM 1422 N CYS B 108 10.204 -4.232 0.003 1.00 0.00 N ATOM 1423 CA CYS B 108 9.662 -3.160 -0.826 1.00 0.00 C ATOM 1424 C CYS B 108 10.300 -3.061 -2.204 1.00 0.00 C ATOM 1425 O CYS B 108 10.414 -1.965 -2.745 1.00 0.00 O ATOM 1426 CB CYS B 108 9.854 -1.840 -0.104 1.00 0.00 C ATOM 1427 SG CYS B 108 8.990 -1.747 1.490 1.00 0.00 S ATOM 0 H CYS B 108 10.802 -3.903 0.761 1.00 0.00 H new ATOM 0 HA CYS B 108 8.609 -3.391 -0.985 1.00 0.00 H new ATOM 0 HB2 CYS B 108 10.919 -1.678 0.060 1.00 0.00 H new ATOM 0 HB3 CYS B 108 9.503 -1.031 -0.745 1.00 0.00 H new ATOM 1432 N GLU B 109 10.690 -4.184 -2.780 1.00 0.00 N ATOM 1433 CA GLU B 109 11.291 -4.187 -4.103 1.00 0.00 C ATOM 1434 C GLU B 109 10.311 -3.591 -5.110 1.00 0.00 C ATOM 1435 O GLU B 109 10.603 -2.597 -5.777 1.00 0.00 O ATOM 1436 CB GLU B 109 11.639 -5.623 -4.493 1.00 0.00 C ATOM 1437 CG GLU B 109 12.426 -5.753 -5.789 1.00 0.00 C ATOM 1438 CD GLU B 109 13.820 -5.180 -5.700 1.00 0.00 C ATOM 1439 OE1 GLU B 109 14.594 -5.626 -4.832 1.00 0.00 O ATOM 1440 OE2 GLU B 109 14.151 -4.297 -6.513 1.00 0.00 O ATOM 0 H GLU B 109 10.602 -5.106 -2.353 1.00 0.00 H new ATOM 0 HA GLU B 109 12.200 -3.586 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU B 109 12.215 -6.075 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU B 109 10.716 -6.195 -4.585 1.00 0.00 H new ATOM 0 HG2 GLU B 109 12.490 -6.806 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU B 109 11.883 -5.248 -6.588 1.00 0.00 H new ATOM 1447 N ASP B 110 9.137 -4.202 -5.193 1.00 0.00 N ATOM 1448 CA ASP B 110 8.090 -3.738 -6.091 1.00 0.00 C ATOM 1449 C ASP B 110 7.092 -2.886 -5.312 1.00 0.00 C ATOM 1450 O ASP B 110 6.333 -2.102 -5.885 1.00 0.00 O ATOM 1451 CB ASP B 110 7.382 -4.935 -6.733 1.00 0.00 C ATOM 1452 CG ASP B 110 6.422 -4.531 -7.826 1.00 0.00 C ATOM 1453 OD1 ASP B 110 6.860 -3.866 -8.783 1.00 0.00 O ATOM 1454 OD2 ASP B 110 5.231 -4.894 -7.737 1.00 0.00 O ATOM 0 H ASP B 110 8.886 -5.025 -4.645 1.00 0.00 H new ATOM 0 HA ASP B 110 8.533 -3.133 -6.882 1.00 0.00 H new ATOM 0 HB2 ASP B 110 8.128 -5.615 -7.144 1.00 0.00 H new ATOM 0 HB3 ASP B 110 6.839 -5.485 -5.964 1.00 0.00 H new ATOM 1459 N HIS B 111 7.102 -3.056 -3.993 1.00 0.00 N ATOM 1460 CA HIS B 111 6.203 -2.323 -3.100 1.00 0.00 C ATOM 1461 C HIS B 111 6.878 -1.062 -2.571 1.00 0.00 C ATOM 1462 O HIS B 111 7.138 -0.946 -1.373 1.00 0.00 O ATOM 1463 CB HIS B 111 5.801 -3.195 -1.902 1.00 0.00 C ATOM 1464 CG HIS B 111 5.561 -4.634 -2.233 1.00 0.00 C ATOM 1465 ND1 HIS B 111 6.235 -5.750 -1.863 1.00 0.00 N flip ATOM 1466 CD2 HIS B 111 4.532 -5.060 -3.042 1.00 0.00 C flip ATOM 1467 CE1 HIS B 111 5.603 -6.818 -2.451 1.00 0.00 C flip ATOM 1468 NE2 HIS B 111 4.578 -6.375 -3.157 1.00 0.00 N flip ATOM 0 H HIS B 111 7.729 -3.702 -3.513 1.00 0.00 H new ATOM 0 HA HIS B 111 5.318 -2.054 -3.676 1.00 0.00 H new ATOM 0 HB2 HIS B 111 6.584 -3.135 -1.146 1.00 0.00 H new ATOM 0 HB3 HIS B 111 4.896 -2.782 -1.456 1.00 0.00 H new ATOM 0 HD1 HIS B 111 7.057 -5.789 -1.261 1.00 0.00 H new ATOM 0 HD2 HIS B 111 3.800 -4.418 -3.510 1.00 0.00 H new ATOM 0 HE1 HIS B 111 5.896 -7.853 -2.352 1.00 0.00 H new ATOM 1476 N CYS B 112 7.172 -0.120 -3.448 1.00 0.00 N ATOM 1477 CA CYS B 112 7.827 1.107 -3.021 1.00 0.00 C ATOM 1478 C CYS B 112 7.008 2.331 -3.419 1.00 0.00 C ATOM 1479 O CYS B 112 7.484 3.196 -4.153 1.00 0.00 O ATOM 1480 CB CYS B 112 9.235 1.194 -3.617 1.00 0.00 C ATOM 1481 SG CYS B 112 10.367 2.270 -2.676 1.00 0.00 S ATOM 0 H CYS B 112 6.972 -0.176 -4.447 1.00 0.00 H new ATOM 0 HA CYS B 112 7.905 1.089 -1.934 1.00 0.00 H new ATOM 0 HB2 CYS B 112 9.660 0.192 -3.668 1.00 0.00 H new ATOM 0 HB3 CYS B 112 9.164 1.563 -4.640 1.00 0.00 H new ATOM 1486 N HIS B 113 5.769 2.401 -2.942 1.00 0.00 N ATOM 1487 CA HIS B 113 4.903 3.520 -3.269 1.00 0.00 C ATOM 1488 C HIS B 113 4.068 3.989 -2.072 1.00 0.00 C ATOM 1489 O HIS B 113 3.657 5.145 -2.023 1.00 0.00 O ATOM 1490 CB HIS B 113 3.994 3.173 -4.454 1.00 0.00 C ATOM 1491 CG HIS B 113 3.196 1.919 -4.282 1.00 0.00 C ATOM 1492 ND1 HIS B 113 3.761 0.668 -4.163 1.00 0.00 N ATOM 1493 CD2 HIS B 113 1.863 1.734 -4.215 1.00 0.00 C ATOM 1494 CE1 HIS B 113 2.806 -0.233 -4.031 1.00 0.00 C ATOM 1495 NE2 HIS B 113 1.641 0.389 -4.057 1.00 0.00 N ATOM 0 H HIS B 113 5.348 1.700 -2.332 1.00 0.00 H new ATOM 0 HA HIS B 113 5.553 4.349 -3.549 1.00 0.00 H new ATOM 0 HB2 HIS B 113 3.309 4.003 -4.624 1.00 0.00 H new ATOM 0 HB3 HIS B 113 4.608 3.077 -5.350 1.00 0.00 H new ATOM 0 HD2 HIS B 113 1.108 2.503 -4.275 1.00 0.00 H new ATOM 0 HE1 HIS B 113 2.952 -1.297 -3.921 1.00 0.00 H new ATOM 0 HE2 HIS B 113 0.727 -0.057 -3.973 1.00 0.00 H new ATOM 1503 N GLY B 114 3.812 3.105 -1.115 1.00 0.00 N ATOM 1504 CA GLY B 114 3.019 3.491 0.047 1.00 0.00 C ATOM 1505 C GLY B 114 3.703 3.158 1.359 1.00 0.00 C ATOM 1506 O GLY B 114 4.148 2.029 1.531 1.00 0.00 O ATOM 0 H GLY B 114 4.133 2.137 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY B 114 2.821 4.562 0.007 1.00 0.00 H new ATOM 0 HA3 GLY B 114 2.054 2.986 0.007 1.00 0.00 H new ATOM 1510 N VAL B 115 3.773 4.162 2.263 1.00 0.00 N ATOM 1511 CA VAL B 115 4.405 4.088 3.619 1.00 0.00 C ATOM 1512 C VAL B 115 5.867 3.622 3.634 1.00 0.00 C ATOM 1513 O VAL B 115 6.632 4.028 4.508 1.00 0.00 O ATOM 1514 CB VAL B 115 3.597 3.251 4.660 1.00 0.00 C ATOM 1515 CG1 VAL B 115 2.185 3.798 4.838 1.00 0.00 C ATOM 1516 CG2 VAL B 115 3.571 1.768 4.313 1.00 0.00 C ATOM 0 H VAL B 115 3.379 5.083 2.070 1.00 0.00 H new ATOM 0 HA VAL B 115 4.387 5.135 3.922 1.00 0.00 H new ATOM 0 HB VAL B 115 4.118 3.347 5.612 1.00 0.00 H new ATOM 0 HG11 VAL B 115 1.650 3.192 5.569 1.00 0.00 H new ATOM 0 HG12 VAL B 115 2.236 4.829 5.188 1.00 0.00 H new ATOM 0 HG13 VAL B 115 1.659 3.764 3.884 1.00 0.00 H new ATOM 0 HG21 VAL B 115 2.997 1.228 5.066 1.00 0.00 H new ATOM 0 HG22 VAL B 115 3.107 1.631 3.336 1.00 0.00 H new ATOM 0 HG23 VAL B 115 4.590 1.382 4.288 1.00 0.00 H new ATOM 1526 N CYS B 116 6.261 2.771 2.705 1.00 0.00 N ATOM 1527 CA CYS B 116 7.623 2.273 2.669 1.00 0.00 C ATOM 1528 C CYS B 116 8.555 3.268 2.010 1.00 0.00 C ATOM 1529 O CYS B 116 9.699 3.433 2.437 1.00 0.00 O ATOM 1530 CB CYS B 116 7.702 0.949 1.931 1.00 0.00 C ATOM 1531 SG CYS B 116 9.331 0.156 2.075 1.00 0.00 S ATOM 0 H CYS B 116 5.658 2.411 1.966 1.00 0.00 H new ATOM 0 HA CYS B 116 7.936 2.125 3.703 1.00 0.00 H new ATOM 0 HB2 CYS B 116 6.940 0.275 2.321 1.00 0.00 H new ATOM 0 HB3 CYS B 116 7.474 1.112 0.878 1.00 0.00 H new ATOM 1536 N LYS B 117 8.077 3.946 0.967 1.00 0.00 N ATOM 1537 CA LYS B 117 8.924 4.926 0.291 1.00 0.00 C ATOM 1538 C LYS B 117 9.002 6.225 1.091 1.00 0.00 C ATOM 1539 O LYS B 117 9.489 7.243 0.605 1.00 0.00 O ATOM 1540 CB LYS B 117 8.519 5.180 -1.171 1.00 0.00 C ATOM 1541 CG LYS B 117 7.228 5.956 -1.399 1.00 0.00 C ATOM 1542 CD LYS B 117 7.134 6.363 -2.864 1.00 0.00 C ATOM 1543 CE LYS B 117 5.804 7.009 -3.219 1.00 0.00 C ATOM 1544 NZ LYS B 117 5.670 7.184 -4.692 1.00 0.00 N ATOM 0 H LYS B 117 7.138 3.840 0.582 1.00 0.00 H new ATOM 0 HA LYS B 117 9.923 4.491 0.246 1.00 0.00 H new ATOM 0 HB2 LYS B 117 9.331 5.719 -1.660 1.00 0.00 H new ATOM 0 HB3 LYS B 117 8.429 4.216 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS B 117 6.369 5.343 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS B 117 7.205 6.840 -0.762 1.00 0.00 H new ATOM 0 HD2 LYS B 117 7.942 7.058 -3.095 1.00 0.00 H new ATOM 0 HD3 LYS B 117 7.282 5.483 -3.490 1.00 0.00 H new ATOM 0 HE2 LYS B 117 4.986 6.392 -2.847 1.00 0.00 H new ATOM 0 HE3 LYS B 117 5.723 7.978 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 4.754 7.627 -4.907 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 6.439 7.792 -5.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 5.724 6.256 -5.158 1.00 0.00 H new ATOM 1558 N ASP B 118 8.583 6.151 2.353 1.00 0.00 N ATOM 1559 CA ASP B 118 8.676 7.279 3.262 1.00 0.00 C ATOM 1560 C ASP B 118 10.143 7.396 3.673 1.00 0.00 C ATOM 1561 O ASP B 118 10.646 8.473 3.999 1.00 0.00 O ATOM 1562 CB ASP B 118 7.740 7.065 4.464 1.00 0.00 C ATOM 1563 CG ASP B 118 8.121 7.863 5.694 1.00 0.00 C ATOM 1564 OD1 ASP B 118 8.181 9.105 5.614 1.00 0.00 O ATOM 1565 OD2 ASP B 118 8.333 7.246 6.753 1.00 0.00 O ATOM 0 H ASP B 118 8.174 5.313 2.766 1.00 0.00 H new ATOM 0 HA ASP B 118 8.357 8.209 2.792 1.00 0.00 H new ATOM 0 HB2 ASP B 118 6.724 7.331 4.172 1.00 0.00 H new ATOM 0 HB3 ASP B 118 7.731 6.005 4.720 1.00 0.00 H new ATOM 1570 N LEU B 119 10.832 6.257 3.568 1.00 0.00 N ATOM 1571 CA LEU B 119 12.264 6.162 3.835 1.00 0.00 C ATOM 1572 C LEU B 119 12.994 6.311 2.506 1.00 0.00 C ATOM 1573 O LEU B 119 14.102 6.846 2.434 1.00 0.00 O ATOM 1574 CB LEU B 119 12.615 4.806 4.461 1.00 0.00 C ATOM 1575 CG LEU B 119 11.893 4.474 5.765 1.00 0.00 C ATOM 1576 CD1 LEU B 119 12.122 3.019 6.129 1.00 0.00 C ATOM 1577 CD2 LEU B 119 12.367 5.379 6.891 1.00 0.00 C ATOM 0 H LEU B 119 10.407 5.371 3.294 1.00 0.00 H new ATOM 0 HA LEU B 119 12.560 6.943 4.536 1.00 0.00 H new ATOM 0 HB2 LEU B 119 12.395 4.023 3.735 1.00 0.00 H new ATOM 0 HB3 LEU B 119 13.689 4.778 4.644 1.00 0.00 H new ATOM 0 HG LEU B 119 10.826 4.641 5.621 1.00 0.00 H new ATOM 0 HD11 LEU B 119 11.604 2.791 7.060 1.00 0.00 H new ATOM 0 HD12 LEU B 119 11.738 2.380 5.334 1.00 0.00 H new ATOM 0 HD13 LEU B 119 13.190 2.839 6.255 1.00 0.00 H new ATOM 0 HD21 LEU B 119 11.839 5.124 7.810 1.00 0.00 H new ATOM 0 HD22 LEU B 119 13.438 5.245 7.039 1.00 0.00 H new ATOM 0 HD23 LEU B 119 12.164 6.418 6.632 1.00 0.00 H new ATOM 1589 N HIS B 120 12.316 5.832 1.460 1.00 0.00 N ATOM 1590 CA HIS B 120 12.795 5.877 0.076 1.00 0.00 C ATOM 1591 C HIS B 120 14.162 5.214 -0.090 1.00 0.00 C ATOM 1592 O HIS B 120 15.181 5.896 -0.213 1.00 0.00 O ATOM 1593 CB HIS B 120 12.841 7.322 -0.431 1.00 0.00 C ATOM 1594 CG HIS B 120 12.636 7.435 -1.908 1.00 0.00 C ATOM 1595 ND1 HIS B 120 11.516 6.950 -2.546 1.00 0.00 N ATOM 1596 CD2 HIS B 120 13.405 7.991 -2.874 1.00 0.00 C ATOM 1597 CE1 HIS B 120 11.603 7.196 -3.841 1.00 0.00 C ATOM 1598 NE2 HIS B 120 12.741 7.828 -4.066 1.00 0.00 N ATOM 0 H HIS B 120 11.400 5.393 1.553 1.00 0.00 H new ATOM 0 HA HIS B 120 12.085 5.308 -0.524 1.00 0.00 H new ATOM 0 HB2 HIS B 120 12.075 7.904 0.081 1.00 0.00 H new ATOM 0 HB3 HIS B 120 13.804 7.761 -0.170 1.00 0.00 H new ATOM 0 HD2 HIS B 120 14.361 8.473 -2.734 1.00 0.00 H new ATOM 0 HE1 HIS B 120 10.870 6.927 -4.587 1.00 0.00 H new ATOM 0 HE2 HIS B 120 13.073 8.144 -4.977 1.00 0.00 H new ATOM 1606 N LEU B 121 14.178 3.884 -0.090 1.00 0.00 N ATOM 1607 CA LEU B 121 15.395 3.126 -0.240 1.00 0.00 C ATOM 1608 C LEU B 121 15.226 2.027 -1.296 1.00 0.00 C ATOM 1609 O LEU B 121 16.174 1.307 -1.620 1.00 0.00 O ATOM 1610 CB LEU B 121 15.841 2.547 1.121 1.00 0.00 C ATOM 1611 CG LEU B 121 14.947 1.489 1.827 1.00 0.00 C ATOM 1612 CD1 LEU B 121 13.491 1.927 1.940 1.00 0.00 C ATOM 1613 CD2 LEU B 121 15.049 0.133 1.142 1.00 0.00 C ATOM 0 H LEU B 121 13.341 3.310 0.015 1.00 0.00 H new ATOM 0 HA LEU B 121 16.182 3.794 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU B 121 16.826 2.102 0.981 1.00 0.00 H new ATOM 0 HB3 LEU B 121 15.964 3.384 1.809 1.00 0.00 H new ATOM 0 HG LEU B 121 15.330 1.394 2.843 1.00 0.00 H new ATOM 0 HD11 LEU B 121 12.915 1.149 2.441 1.00 0.00 H new ATOM 0 HD12 LEU B 121 13.432 2.850 2.517 1.00 0.00 H new ATOM 0 HD13 LEU B 121 13.083 2.095 0.943 1.00 0.00 H new ATOM 0 HD21 LEU B 121 14.412 -0.585 1.659 1.00 0.00 H new ATOM 0 HD22 LEU B 121 14.725 0.224 0.105 1.00 0.00 H new ATOM 0 HD23 LEU B 121 16.083 -0.212 1.170 1.00 0.00 H new ATOM 1625 N CYS B 122 14.017 1.907 -1.830 1.00 0.00 N ATOM 1626 CA CYS B 122 13.717 0.909 -2.851 1.00 0.00 C ATOM 1627 C CYS B 122 13.483 1.580 -4.195 1.00 0.00 C ATOM 1628 O CYS B 122 13.988 2.702 -4.390 1.00 0.00 O ATOM 1629 CB CYS B 122 12.481 0.089 -2.462 1.00 0.00 C ATOM 1630 SG CYS B 122 11.299 0.992 -1.403 1.00 0.00 S ATOM 1631 OXT CYS B 122 12.795 0.986 -5.044 1.00 0.00 O ATOM 0 H CYS B 122 13.223 2.492 -1.571 1.00 0.00 H new ATOM 0 HA CYS B 122 14.573 0.239 -2.930 1.00 0.00 H new ATOM 0 HB2 CYS B 122 11.969 -0.232 -3.369 1.00 0.00 H new ATOM 0 HB3 CYS B 122 12.804 -0.813 -1.942 1.00 0.00 H new TER 1636 CYS B 122