USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=12 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 Set 1.1: A 10 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00945) USER MOD Set 1.2: A 44 SER OG : rot 180:sc= -0.387 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.565 USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.13) USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= -0.413 (180deg=-2.07!) USER MOD Single : A 50 HIS : no HD1:sc= -2.61! K(o=-2.6!,f=0.84) USER MOD Single : A 52 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-4.5!) USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= -0.0853 (180deg=-0.48) USER MOD Single : A 59 HIS : no HE2:sc= -0.0053 K(o=-0.0053,f=-0.6) USER MOD Single : B 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 168:sc=-0.00494 (180deg=-0.139) USER MOD Single : B 67 SER OG : rot -85:sc= 0.327 USER MOD Single : B 70 LYS NZ :NH3+ -172:sc= 0.811 (180deg=0.527!) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= -0.18 (180deg=-0.18) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 105 SER OG : rot -150:sc= -0.403 USER MOD Single : B 111 HIS : no HD1:sc= -0.989 K(o=-0.99,f=-8.7!) USER MOD Single : B 113 HIS : no HD1:sc= -3.02! C(o=-3!,f=-7.3!) USER MOD Single : B 117 LYS NZ :NH3+ -175:sc= 0.545 (180deg=0.528) USER MOD Single : B 120 HIS : no HD1:sc= -0.0915 X(o=-0.092,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -30.809 4.314 3.664 1.00 0.00 N ATOM 2 CA ALA A 1 -30.481 5.355 4.671 1.00 0.00 C ATOM 3 C ALA A 1 -28.986 5.367 4.982 1.00 0.00 C ATOM 4 O ALA A 1 -28.247 6.218 4.485 1.00 0.00 O ATOM 5 CB ALA A 1 -31.284 5.145 5.951 1.00 0.00 C ATOM 0 H1 ALA A 1 -31.831 4.327 3.471 1.00 0.00 H new ATOM 0 H2 ALA A 1 -30.288 4.505 2.785 1.00 0.00 H new ATOM 0 H3 ALA A 1 -30.538 3.379 4.030 1.00 0.00 H new ATOM 0 HA ALA A 1 -30.751 6.322 4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -31.026 5.920 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -32.349 5.199 5.725 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -31.051 4.166 6.370 1.00 0.00 H new ATOM 13 N MET A 2 -28.544 4.420 5.804 1.00 0.00 N ATOM 14 CA MET A 2 -27.137 4.328 6.180 1.00 0.00 C ATOM 15 C MET A 2 -26.479 3.132 5.499 1.00 0.00 C ATOM 16 O MET A 2 -26.861 1.989 5.744 1.00 0.00 O ATOM 17 CB MET A 2 -27.008 4.188 7.699 1.00 0.00 C ATOM 18 CG MET A 2 -27.743 5.268 8.476 1.00 0.00 C ATOM 19 SD MET A 2 -27.629 5.038 10.256 1.00 0.00 S ATOM 20 CE MET A 2 -28.674 6.370 10.836 1.00 0.00 C ATOM 0 H MET A 2 -29.140 3.706 6.222 1.00 0.00 H new ATOM 0 HA MET A 2 -26.634 5.239 5.857 1.00 0.00 H new ATOM 0 HB2 MET A 2 -27.391 3.213 7.999 1.00 0.00 H new ATOM 0 HB3 MET A 2 -25.952 4.213 7.969 1.00 0.00 H new ATOM 0 HG2 MET A 2 -27.333 6.243 8.212 1.00 0.00 H new ATOM 0 HG3 MET A 2 -28.792 5.273 8.180 1.00 0.00 H new ATOM 0 HE1 MET A 2 -28.705 6.360 11.926 1.00 0.00 H new ATOM 0 HE2 MET A 2 -28.272 7.323 10.493 1.00 0.00 H new ATOM 0 HE3 MET A 2 -29.682 6.239 10.443 1.00 0.00 H new ATOM 30 N GLY A 3 -25.497 3.389 4.643 1.00 0.00 N ATOM 31 CA GLY A 3 -24.832 2.297 3.959 1.00 0.00 C ATOM 32 C GLY A 3 -23.495 2.680 3.361 1.00 0.00 C ATOM 33 O GLY A 3 -23.203 2.327 2.220 1.00 0.00 O ATOM 0 H GLY A 3 -25.153 4.321 4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -24.685 1.476 4.661 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -25.482 1.926 3.166 1.00 0.00 H new ATOM 37 N LYS A 4 -22.668 3.381 4.127 1.00 0.00 N ATOM 38 CA LYS A 4 -21.348 3.775 3.644 1.00 0.00 C ATOM 39 C LYS A 4 -20.428 2.553 3.558 1.00 0.00 C ATOM 40 O LYS A 4 -19.896 2.085 4.565 1.00 0.00 O ATOM 41 CB LYS A 4 -20.749 4.884 4.531 1.00 0.00 C ATOM 42 CG LYS A 4 -21.232 4.873 5.982 1.00 0.00 C ATOM 43 CD LYS A 4 -20.378 3.980 6.866 1.00 0.00 C ATOM 44 CE LYS A 4 -20.923 3.918 8.288 1.00 0.00 C ATOM 45 NZ LYS A 4 -20.017 3.179 9.206 1.00 0.00 N ATOM 0 H LYS A 4 -22.884 3.686 5.076 1.00 0.00 H new ATOM 0 HA LYS A 4 -21.448 4.186 2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -19.663 4.790 4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -20.988 5.852 4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -21.219 5.890 6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -22.267 4.532 6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.343 2.975 6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.355 4.355 6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.070 4.931 8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -21.901 3.436 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.428 3.163 10.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.896 2.204 8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.092 3.652 9.236 1.00 0.00 H new ATOM 59 N CYS A 5 -20.283 2.023 2.340 1.00 0.00 N ATOM 60 CA CYS A 5 -19.469 0.830 2.084 1.00 0.00 C ATOM 61 C CYS A 5 -20.070 -0.360 2.834 1.00 0.00 C ATOM 62 O CYS A 5 -19.413 -0.995 3.662 1.00 0.00 O ATOM 63 CB CYS A 5 -18.004 1.064 2.493 1.00 0.00 C ATOM 64 SG CYS A 5 -16.832 -0.191 1.866 1.00 0.00 S ATOM 0 H CYS A 5 -20.725 2.407 1.505 1.00 0.00 H new ATOM 0 HA CYS A 5 -19.474 0.615 1.015 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -17.692 2.045 2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -17.943 1.088 3.581 1.00 0.00 H new ATOM 69 N SER A 6 -21.344 -0.631 2.551 1.00 0.00 N ATOM 70 CA SER A 6 -22.071 -1.715 3.202 1.00 0.00 C ATOM 71 C SER A 6 -22.020 -3.003 2.369 1.00 0.00 C ATOM 72 O SER A 6 -21.126 -3.185 1.539 1.00 0.00 O ATOM 73 CB SER A 6 -23.522 -1.275 3.455 1.00 0.00 C ATOM 74 OG SER A 6 -24.222 -2.191 4.287 1.00 0.00 O ATOM 0 H SER A 6 -21.895 -0.109 1.870 1.00 0.00 H new ATOM 0 HA SER A 6 -21.594 -1.935 4.157 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.525 -0.289 3.919 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.043 -1.181 2.502 1.00 0.00 H new ATOM 0 HG SER A 6 -25.139 -1.873 4.424 1.00 0.00 H new ATOM 80 N VAL A 7 -22.969 -3.900 2.619 1.00 0.00 N ATOM 81 CA VAL A 7 -23.030 -5.182 1.928 1.00 0.00 C ATOM 82 C VAL A 7 -23.879 -5.095 0.653 1.00 0.00 C ATOM 83 O VAL A 7 -24.315 -4.011 0.269 1.00 0.00 O ATOM 84 CB VAL A 7 -23.610 -6.282 2.855 1.00 0.00 C ATOM 85 CG1 VAL A 7 -22.917 -7.614 2.615 1.00 0.00 C ATOM 86 CG2 VAL A 7 -23.494 -5.879 4.322 1.00 0.00 C ATOM 0 H VAL A 7 -23.713 -3.759 3.302 1.00 0.00 H new ATOM 0 HA VAL A 7 -22.009 -5.444 1.650 1.00 0.00 H new ATOM 0 HB VAL A 7 -24.667 -6.396 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -23.341 -8.369 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -23.061 -7.918 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -21.851 -7.511 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -23.908 -6.668 4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -22.445 -5.726 4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -24.046 -4.954 4.490 1.00 0.00 H new ATOM 96 N LEU A 8 -24.094 -6.265 0.027 1.00 0.00 N ATOM 97 CA LEU A 8 -24.880 -6.446 -1.212 1.00 0.00 C ATOM 98 C LEU A 8 -24.294 -5.700 -2.419 1.00 0.00 C ATOM 99 O LEU A 8 -23.943 -6.330 -3.418 1.00 0.00 O ATOM 100 CB LEU A 8 -26.388 -6.157 -1.000 1.00 0.00 C ATOM 101 CG LEU A 8 -26.842 -4.700 -0.846 1.00 0.00 C ATOM 102 CD1 LEU A 8 -27.229 -4.092 -2.188 1.00 0.00 C ATOM 103 CD2 LEU A 8 -28.013 -4.641 0.117 1.00 0.00 C ATOM 0 H LEU A 8 -23.713 -7.143 0.380 1.00 0.00 H new ATOM 0 HA LEU A 8 -24.801 -7.504 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -26.929 -6.585 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -26.707 -6.699 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 8 -26.010 -4.117 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -27.546 -3.059 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -26.371 -4.117 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -28.048 -4.664 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -28.339 -3.607 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -28.835 -5.241 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -27.707 -5.033 1.087 1.00 0.00 H new ATOM 115 N LYS A 9 -24.162 -4.382 -2.341 1.00 0.00 N ATOM 116 CA LYS A 9 -23.600 -3.619 -3.439 1.00 0.00 C ATOM 117 C LYS A 9 -22.080 -3.563 -3.327 1.00 0.00 C ATOM 118 O LYS A 9 -21.427 -2.729 -3.955 1.00 0.00 O ATOM 119 CB LYS A 9 -24.198 -2.213 -3.470 1.00 0.00 C ATOM 120 CG LYS A 9 -24.100 -1.458 -2.154 1.00 0.00 C ATOM 121 CD LYS A 9 -24.854 -0.137 -2.217 1.00 0.00 C ATOM 122 CE LYS A 9 -24.285 0.784 -3.290 1.00 0.00 C ATOM 123 NZ LYS A 9 -25.012 2.082 -3.364 1.00 0.00 N ATOM 0 H LYS A 9 -24.436 -3.825 -1.532 1.00 0.00 H new ATOM 0 HA LYS A 9 -23.852 -4.117 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -23.695 -1.635 -4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -25.247 -2.284 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -24.504 -2.072 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -23.053 -1.271 -1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -25.907 -0.328 -2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -24.803 0.358 -1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -23.231 0.971 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -24.336 0.286 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -24.510 2.725 -4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -25.976 1.920 -3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -25.059 2.508 -2.417 1.00 0.00 H new ATOM 137 N LYS A 10 -21.522 -4.473 -2.533 1.00 0.00 N ATOM 138 CA LYS A 10 -20.080 -4.545 -2.347 1.00 0.00 C ATOM 139 C LYS A 10 -19.425 -5.202 -3.556 1.00 0.00 C ATOM 140 O LYS A 10 -18.203 -5.205 -3.688 1.00 0.00 O ATOM 141 CB LYS A 10 -19.739 -5.315 -1.066 1.00 0.00 C ATOM 142 CG LYS A 10 -20.105 -6.795 -1.105 1.00 0.00 C ATOM 143 CD LYS A 10 -20.012 -7.418 0.281 1.00 0.00 C ATOM 144 CE LYS A 10 -20.185 -8.931 0.246 1.00 0.00 C ATOM 145 NZ LYS A 10 -18.988 -9.623 -0.300 1.00 0.00 N ATOM 0 H LYS A 10 -22.050 -5.171 -2.008 1.00 0.00 H new ATOM 0 HA LYS A 10 -19.692 -3.531 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -18.670 -5.222 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -20.255 -4.848 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -21.117 -6.913 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -19.438 -7.320 -1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -19.045 -7.175 0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -20.775 -6.982 0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -20.384 -9.295 1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -21.055 -9.181 -0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.118 -10.652 -0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.861 -9.361 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.146 -9.341 0.242 1.00 0.00 H new ATOM 159 N VAL A 11 -20.257 -5.743 -4.444 1.00 0.00 N ATOM 160 CA VAL A 11 -19.779 -6.391 -5.657 1.00 0.00 C ATOM 161 C VAL A 11 -19.414 -5.335 -6.704 1.00 0.00 C ATOM 162 O VAL A 11 -18.875 -5.651 -7.767 1.00 0.00 O ATOM 163 CB VAL A 11 -20.833 -7.367 -6.231 1.00 0.00 C ATOM 164 CG1 VAL A 11 -20.183 -8.385 -7.154 1.00 0.00 C ATOM 165 CG2 VAL A 11 -21.584 -8.067 -5.109 1.00 0.00 C ATOM 0 H VAL A 11 -21.272 -5.743 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 11 -18.892 -6.971 -5.402 1.00 0.00 H new ATOM 0 HB VAL A 11 -21.548 -6.787 -6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -20.944 -9.060 -7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.697 -7.868 -7.981 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.441 -8.958 -6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -22.320 -8.749 -5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -20.880 -8.630 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -22.090 -7.325 -4.492 1.00 0.00 H new ATOM 175 N ALA A 12 -19.667 -4.065 -6.369 1.00 0.00 N ATOM 176 CA ALA A 12 -19.328 -2.948 -7.248 1.00 0.00 C ATOM 177 C ALA A 12 -17.824 -2.692 -7.196 1.00 0.00 C ATOM 178 O ALA A 12 -17.312 -1.724 -7.763 1.00 0.00 O ATOM 179 CB ALA A 12 -20.100 -1.698 -6.848 1.00 0.00 C ATOM 0 H ALA A 12 -20.107 -3.788 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 12 -19.608 -3.203 -8.270 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.834 -0.877 -7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -21.170 -1.892 -6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.849 -1.428 -5.822 1.00 0.00 H new ATOM 185 N CYS A 13 -17.136 -3.594 -6.510 1.00 0.00 N ATOM 186 CA CYS A 13 -15.694 -3.553 -6.350 1.00 0.00 C ATOM 187 C CYS A 13 -14.992 -3.575 -7.702 1.00 0.00 C ATOM 188 O CYS A 13 -13.959 -2.935 -7.884 1.00 0.00 O ATOM 189 CB CYS A 13 -15.265 -4.761 -5.517 1.00 0.00 C ATOM 190 SG CYS A 13 -16.244 -6.256 -5.883 1.00 0.00 S ATOM 0 H CYS A 13 -17.574 -4.387 -6.042 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.414 -2.628 -5.847 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -14.211 -4.968 -5.702 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -15.361 -4.519 -4.459 1.00 0.00 H new ATOM 195 N ALA A 14 -15.567 -4.307 -8.652 1.00 0.00 N ATOM 196 CA ALA A 14 -15.007 -4.418 -9.995 1.00 0.00 C ATOM 197 C ALA A 14 -15.229 -3.149 -10.823 1.00 0.00 C ATOM 198 O ALA A 14 -15.306 -3.205 -12.051 1.00 0.00 O ATOM 199 CB ALA A 14 -15.606 -5.622 -10.702 1.00 0.00 C ATOM 0 H ALA A 14 -16.428 -4.836 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.930 -4.549 -9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.186 -5.702 -11.704 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.376 -6.526 -10.139 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -16.687 -5.503 -10.771 1.00 0.00 H new ATOM 205 N ALA A 15 -15.322 -2.009 -10.153 1.00 0.00 N ATOM 206 CA ALA A 15 -15.520 -0.735 -10.823 1.00 0.00 C ATOM 207 C ALA A 15 -14.651 0.336 -10.185 1.00 0.00 C ATOM 208 O ALA A 15 -13.745 0.876 -10.819 1.00 0.00 O ATOM 209 CB ALA A 15 -16.984 -0.327 -10.777 1.00 0.00 C ATOM 0 H ALA A 15 -15.263 -1.943 -9.137 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.228 -0.845 -11.867 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.111 0.629 -11.284 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.589 -1.085 -11.275 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.303 -0.233 -9.739 1.00 0.00 H new ATOM 215 N ALA A 16 -14.931 0.633 -8.920 1.00 0.00 N ATOM 216 CA ALA A 16 -14.171 1.637 -8.180 1.00 0.00 C ATOM 217 C ALA A 16 -12.808 1.095 -7.770 1.00 0.00 C ATOM 218 O ALA A 16 -11.794 1.773 -7.905 1.00 0.00 O ATOM 219 CB ALA A 16 -14.945 2.092 -6.953 1.00 0.00 C ATOM 0 H ALA A 16 -15.679 0.193 -8.385 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.016 2.494 -8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.364 2.840 -6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.896 2.525 -7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.130 1.237 -6.302 1.00 0.00 H new ATOM 225 N ILE A 17 -12.796 -0.139 -7.284 1.00 0.00 N ATOM 226 CA ILE A 17 -11.567 -0.795 -6.863 1.00 0.00 C ATOM 227 C ILE A 17 -10.712 -1.124 -8.070 1.00 0.00 C ATOM 228 O ILE A 17 -9.492 -0.993 -8.036 1.00 0.00 O ATOM 229 CB ILE A 17 -11.896 -2.063 -6.045 1.00 0.00 C ATOM 230 CG1 ILE A 17 -12.172 -1.656 -4.612 1.00 0.00 C ATOM 231 CG2 ILE A 17 -10.782 -3.102 -6.094 1.00 0.00 C ATOM 232 CD1 ILE A 17 -13.004 -2.655 -3.844 1.00 0.00 C ATOM 0 H ILE A 17 -13.633 -0.710 -7.171 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.000 -0.119 -6.223 1.00 0.00 H new ATOM 0 HB ILE A 17 -12.774 -2.533 -6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.223 -1.514 -4.095 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.683 -0.693 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.069 -3.971 -5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -10.614 -3.407 -7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.866 -2.673 -5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.159 -2.294 -2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.969 -2.780 -4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.486 -3.613 -3.814 1.00 0.00 H new ATOM 244 N ALA A 18 -11.371 -1.529 -9.142 1.00 0.00 N ATOM 245 CA ALA A 18 -10.686 -1.857 -10.383 1.00 0.00 C ATOM 246 C ALA A 18 -9.941 -0.642 -10.929 1.00 0.00 C ATOM 247 O ALA A 18 -8.826 -0.760 -11.436 1.00 0.00 O ATOM 248 CB ALA A 18 -11.676 -2.374 -11.413 1.00 0.00 C ATOM 0 H ALA A 18 -12.384 -1.639 -9.179 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.957 -2.640 -10.173 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.148 -2.615 -12.336 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.165 -3.270 -11.030 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.426 -1.609 -11.613 1.00 0.00 H new ATOM 254 N GLY A 19 -10.561 0.529 -10.808 1.00 0.00 N ATOM 255 CA GLY A 19 -9.944 1.751 -11.280 1.00 0.00 C ATOM 256 C GLY A 19 -8.899 2.264 -10.315 1.00 0.00 C ATOM 257 O GLY A 19 -7.915 2.880 -10.723 1.00 0.00 O ATOM 0 H GLY A 19 -11.483 0.651 -10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.484 1.574 -12.252 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.710 2.513 -11.424 1.00 0.00 H new ATOM 261 N ALA A 20 -9.111 2.013 -9.028 1.00 0.00 N ATOM 262 CA ALA A 20 -8.180 2.454 -8.006 1.00 0.00 C ATOM 263 C ALA A 20 -6.932 1.585 -8.019 1.00 0.00 C ATOM 264 O ALA A 20 -5.839 2.031 -7.673 1.00 0.00 O ATOM 265 CB ALA A 20 -8.839 2.423 -6.638 1.00 0.00 C ATOM 0 H ALA A 20 -9.921 1.506 -8.671 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.888 3.482 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.127 2.757 -5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.706 3.084 -6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.158 1.406 -6.411 1.00 0.00 H new ATOM 271 N VAL A 21 -7.113 0.342 -8.435 1.00 0.00 N ATOM 272 CA VAL A 21 -6.030 -0.613 -8.522 1.00 0.00 C ATOM 273 C VAL A 21 -5.058 -0.210 -9.629 1.00 0.00 C ATOM 274 O VAL A 21 -3.841 -0.356 -9.487 1.00 0.00 O ATOM 275 CB VAL A 21 -6.600 -2.034 -8.762 1.00 0.00 C ATOM 276 CG1 VAL A 21 -5.742 -2.850 -9.706 1.00 0.00 C ATOM 277 CG2 VAL A 21 -6.757 -2.773 -7.446 1.00 0.00 C ATOM 0 H VAL A 21 -8.019 -0.030 -8.722 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.479 -0.621 -7.582 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.576 -1.906 -9.230 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.186 -3.837 -9.840 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.681 -2.346 -10.670 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.741 -2.956 -9.288 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.158 -3.769 -7.634 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.786 -2.859 -6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.440 -2.223 -6.799 1.00 0.00 H new ATOM 287 N ALA A 22 -5.602 0.316 -10.725 1.00 0.00 N ATOM 288 CA ALA A 22 -4.793 0.752 -11.855 1.00 0.00 C ATOM 289 C ALA A 22 -4.018 2.028 -11.533 1.00 0.00 C ATOM 290 O ALA A 22 -3.193 2.475 -12.327 1.00 0.00 O ATOM 291 CB ALA A 22 -5.672 0.960 -13.079 1.00 0.00 C ATOM 0 H ALA A 22 -6.605 0.450 -10.852 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.065 -0.031 -12.067 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.057 1.286 -13.918 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.167 0.023 -13.335 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.423 1.720 -12.863 1.00 0.00 H new ATOM 297 N ALA A 23 -4.284 2.607 -10.366 1.00 0.00 N ATOM 298 CA ALA A 23 -3.609 3.824 -9.946 1.00 0.00 C ATOM 299 C ALA A 23 -2.333 3.516 -9.172 1.00 0.00 C ATOM 300 O ALA A 23 -1.609 4.426 -8.773 1.00 0.00 O ATOM 301 CB ALA A 23 -4.536 4.689 -9.107 1.00 0.00 C ATOM 0 H ALA A 23 -4.964 2.250 -9.695 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.333 4.373 -10.846 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.012 5.595 -8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.414 4.958 -9.695 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.848 4.135 -8.221 1.00 0.00 H new ATOM 307 N CYS A 24 -2.058 2.234 -8.958 1.00 0.00 N ATOM 308 CA CYS A 24 -0.858 1.836 -8.232 1.00 0.00 C ATOM 309 C CYS A 24 -0.316 0.513 -8.758 1.00 0.00 C ATOM 310 O CYS A 24 -0.134 -0.431 -7.997 1.00 0.00 O ATOM 311 CB CYS A 24 -1.141 1.716 -6.728 1.00 0.00 C ATOM 312 SG CYS A 24 0.335 1.888 -5.671 1.00 0.00 S ATOM 0 H CYS A 24 -2.643 1.460 -9.273 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.108 2.611 -8.389 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.867 2.478 -6.445 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.602 0.748 -6.533 1.00 0.00 H new ATOM 317 N GLY A 25 -0.057 0.445 -10.058 1.00 0.00 N ATOM 318 CA GLY A 25 0.480 -0.767 -10.657 1.00 0.00 C ATOM 319 C GLY A 25 -0.559 -1.840 -10.910 1.00 0.00 C ATOM 320 O GLY A 25 -0.680 -2.346 -12.026 1.00 0.00 O ATOM 0 H GLY A 25 -0.210 1.211 -10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.961 -0.511 -11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.254 -1.171 -10.004 1.00 0.00 H new ATOM 324 N GLY A 26 -1.305 -2.195 -9.878 1.00 0.00 N ATOM 325 CA GLY A 26 -2.322 -3.220 -10.019 1.00 0.00 C ATOM 326 C GLY A 26 -2.262 -4.268 -8.924 1.00 0.00 C ATOM 327 O GLY A 26 -1.273 -4.993 -8.808 1.00 0.00 O ATOM 0 H GLY A 26 -1.227 -1.793 -8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.306 -2.751 -10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.208 -3.707 -10.987 1.00 0.00 H new ATOM 331 N ILE A 27 -3.331 -4.339 -8.130 1.00 0.00 N ATOM 332 CA ILE A 27 -3.452 -5.295 -7.023 1.00 0.00 C ATOM 333 C ILE A 27 -2.567 -4.917 -5.866 1.00 0.00 C ATOM 334 O ILE A 27 -1.511 -5.502 -5.614 1.00 0.00 O ATOM 335 CB ILE A 27 -3.207 -6.761 -7.461 1.00 0.00 C ATOM 336 CG1 ILE A 27 -4.146 -7.124 -8.611 1.00 0.00 C ATOM 337 CG2 ILE A 27 -3.422 -7.725 -6.300 1.00 0.00 C ATOM 338 CD1 ILE A 27 -5.608 -6.905 -8.281 1.00 0.00 C ATOM 0 H ILE A 27 -4.144 -3.732 -8.236 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.488 -5.241 -6.688 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.172 -6.847 -7.792 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.885 -6.529 -9.486 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.994 -8.169 -8.879 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.243 -8.746 -6.637 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.730 -7.483 -5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.447 -7.636 -5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.220 -7.182 -9.139 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.884 -7.521 -7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.773 -5.855 -8.041 1.00 0.00 H new ATOM 350 N ASP A 28 -3.072 -3.955 -5.138 1.00 0.00 N ATOM 351 CA ASP A 28 -2.439 -3.463 -3.955 1.00 0.00 C ATOM 352 C ASP A 28 -3.532 -3.010 -3.016 1.00 0.00 C ATOM 353 O ASP A 28 -4.663 -2.774 -3.433 1.00 0.00 O ATOM 354 CB ASP A 28 -1.485 -2.308 -4.246 1.00 0.00 C ATOM 355 CG ASP A 28 -0.563 -2.036 -3.079 1.00 0.00 C ATOM 356 OD1 ASP A 28 -0.402 -2.936 -2.230 1.00 0.00 O ATOM 357 OD2 ASP A 28 0.000 -0.935 -3.013 1.00 0.00 O ATOM 0 H ASP A 28 -3.951 -3.487 -5.360 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.836 -4.256 -3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.893 -2.540 -5.131 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.060 -1.410 -4.473 1.00 0.00 H new ATOM 362 N LEU A 29 -3.187 -2.883 -1.773 1.00 0.00 N ATOM 363 CA LEU A 29 -4.129 -2.450 -0.755 1.00 0.00 C ATOM 364 C LEU A 29 -3.587 -1.249 0.018 1.00 0.00 C ATOM 365 O LEU A 29 -4.274 -0.240 0.127 1.00 0.00 O ATOM 366 CB LEU A 29 -4.486 -3.593 0.196 1.00 0.00 C ATOM 367 CG LEU A 29 -5.580 -3.263 1.209 1.00 0.00 C ATOM 368 CD1 LEU A 29 -6.843 -2.815 0.495 1.00 0.00 C ATOM 369 CD2 LEU A 29 -5.861 -4.469 2.085 1.00 0.00 C ATOM 0 H LEU A 29 -2.248 -3.073 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.043 -2.142 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.804 -4.453 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.588 -3.892 0.736 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.237 -2.446 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.614 -2.583 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.629 -1.927 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.194 -3.613 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.643 -4.223 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.189 -5.302 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.953 -4.751 2.619 1.00 0.00 H new ATOM 381 N PRO A 30 -2.352 -1.319 0.575 1.00 0.00 N ATOM 382 CA PRO A 30 -1.775 -0.198 1.325 1.00 0.00 C ATOM 383 C PRO A 30 -1.754 1.095 0.522 1.00 0.00 C ATOM 384 O PRO A 30 -2.033 2.169 1.049 1.00 0.00 O ATOM 385 CB PRO A 30 -0.340 -0.642 1.605 1.00 0.00 C ATOM 386 CG PRO A 30 -0.361 -2.125 1.518 1.00 0.00 C ATOM 387 CD PRO A 30 -1.430 -2.474 0.525 1.00 0.00 C ATOM 0 HA PRO A 30 -2.360 0.017 2.219 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.352 -0.216 0.879 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.012 -0.311 2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.607 -2.509 1.198 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.574 -2.568 2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.017 -2.613 -0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.936 -3.401 0.792 1.00 0.00 H new ATOM 395 N CYS A 31 -1.401 0.981 -0.749 1.00 0.00 N ATOM 396 CA CYS A 31 -1.317 2.138 -1.619 1.00 0.00 C ATOM 397 C CYS A 31 -2.667 2.487 -2.248 1.00 0.00 C ATOM 398 O CYS A 31 -3.007 3.662 -2.390 1.00 0.00 O ATOM 399 CB CYS A 31 -0.254 1.895 -2.701 1.00 0.00 C ATOM 400 SG CYS A 31 -0.304 3.038 -4.121 1.00 0.00 S ATOM 0 H CYS A 31 -1.168 0.096 -1.199 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.025 2.995 -1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.731 1.960 -2.239 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.365 0.876 -3.073 1.00 0.00 H new ATOM 405 N VAL A 32 -3.433 1.469 -2.630 1.00 0.00 N ATOM 406 CA VAL A 32 -4.729 1.668 -3.253 1.00 0.00 C ATOM 407 C VAL A 32 -5.789 2.135 -2.239 1.00 0.00 C ATOM 408 O VAL A 32 -6.845 2.649 -2.620 1.00 0.00 O ATOM 409 CB VAL A 32 -5.163 0.360 -3.952 1.00 0.00 C ATOM 410 CG1 VAL A 32 -6.529 0.495 -4.579 1.00 0.00 C ATOM 411 CG2 VAL A 32 -4.143 -0.036 -5.008 1.00 0.00 C ATOM 0 H VAL A 32 -3.171 0.490 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.640 2.462 -3.995 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.217 -0.420 -3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.802 -0.443 -5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.261 0.733 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.511 1.293 -5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.461 -0.959 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.064 0.756 -5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.172 -0.189 -4.537 1.00 0.00 H new ATOM 421 N LEU A 33 -5.496 1.970 -0.952 1.00 0.00 N ATOM 422 CA LEU A 33 -6.409 2.373 0.124 1.00 0.00 C ATOM 423 C LEU A 33 -6.806 3.849 0.019 1.00 0.00 C ATOM 424 O LEU A 33 -7.911 4.230 0.414 1.00 0.00 O ATOM 425 CB LEU A 33 -5.757 2.126 1.487 1.00 0.00 C ATOM 426 CG LEU A 33 -6.644 2.434 2.696 1.00 0.00 C ATOM 427 CD1 LEU A 33 -7.805 1.459 2.783 1.00 0.00 C ATOM 428 CD2 LEU A 33 -5.836 2.411 3.979 1.00 0.00 C ATOM 0 H LEU A 33 -4.624 1.556 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.311 1.770 0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.446 1.083 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.853 2.731 1.555 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.050 3.437 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.419 1.701 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.410 1.532 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.421 0.444 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.488 2.633 4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.393 1.424 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.046 3.160 3.925 1.00 0.00 H new ATOM 440 N ALA A 34 -5.899 4.669 -0.507 1.00 0.00 N ATOM 441 CA ALA A 34 -6.137 6.104 -0.661 1.00 0.00 C ATOM 442 C ALA A 34 -7.389 6.392 -1.485 1.00 0.00 C ATOM 443 O ALA A 34 -8.121 7.342 -1.205 1.00 0.00 O ATOM 444 CB ALA A 34 -4.931 6.767 -1.305 1.00 0.00 C ATOM 0 H ALA A 34 -4.984 4.361 -0.837 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.295 6.517 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.119 7.835 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.054 6.616 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.754 6.327 -2.286 1.00 0.00 H new ATOM 450 N ALA A 35 -7.631 5.573 -2.504 1.00 0.00 N ATOM 451 CA ALA A 35 -8.800 5.755 -3.363 1.00 0.00 C ATOM 452 C ALA A 35 -9.879 4.726 -3.047 1.00 0.00 C ATOM 453 O ALA A 35 -10.907 4.661 -3.724 1.00 0.00 O ATOM 454 CB ALA A 35 -8.411 5.677 -4.835 1.00 0.00 C ATOM 0 H ALA A 35 -7.039 4.782 -2.755 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.204 6.747 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.298 5.815 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.685 6.458 -5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.971 4.702 -5.044 1.00 0.00 H new ATOM 460 N LEU A 36 -9.636 3.919 -2.021 1.00 0.00 N ATOM 461 CA LEU A 36 -10.583 2.889 -1.614 1.00 0.00 C ATOM 462 C LEU A 36 -11.628 3.458 -0.662 1.00 0.00 C ATOM 463 O LEU A 36 -12.744 2.946 -0.568 1.00 0.00 O ATOM 464 CB LEU A 36 -9.832 1.732 -0.949 1.00 0.00 C ATOM 465 CG LEU A 36 -10.697 0.546 -0.514 1.00 0.00 C ATOM 466 CD1 LEU A 36 -11.434 -0.048 -1.703 1.00 0.00 C ATOM 467 CD2 LEU A 36 -9.842 -0.510 0.164 1.00 0.00 C ATOM 0 H LEU A 36 -8.789 3.959 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.100 2.520 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.072 1.370 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.308 2.117 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.438 0.905 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.042 -0.889 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.077 0.711 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.712 -0.392 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.471 -1.347 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.080 -0.862 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.361 -0.080 1.043 1.00 0.00 H new ATOM 479 N LYS A 37 -11.263 4.524 0.038 1.00 0.00 N ATOM 480 CA LYS A 37 -12.165 5.166 0.978 1.00 0.00 C ATOM 481 C LYS A 37 -13.100 6.154 0.272 1.00 0.00 C ATOM 482 O LYS A 37 -13.279 7.283 0.734 1.00 0.00 O ATOM 483 CB LYS A 37 -11.364 5.895 2.058 1.00 0.00 C ATOM 484 CG LYS A 37 -10.172 6.681 1.524 1.00 0.00 C ATOM 485 CD LYS A 37 -9.731 7.795 2.473 1.00 0.00 C ATOM 486 CE LYS A 37 -8.883 7.280 3.632 1.00 0.00 C ATOM 487 NZ LYS A 37 -9.663 6.446 4.583 1.00 0.00 N ATOM 0 H LYS A 37 -10.344 4.962 -0.030 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.776 4.389 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.027 6.578 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.008 5.166 2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.338 6.000 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.430 7.113 0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.162 8.539 1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.612 8.299 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.052 6.695 3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.451 8.127 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.304 6.592 5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.666 6.719 4.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.566 5.443 4.325 1.00 0.00 H new ATOM 501 N ALA A 38 -13.690 5.730 -0.841 1.00 0.00 N ATOM 502 CA ALA A 38 -14.595 6.585 -1.600 1.00 0.00 C ATOM 503 C ALA A 38 -15.835 5.821 -2.047 1.00 0.00 C ATOM 504 O ALA A 38 -15.731 4.695 -2.541 1.00 0.00 O ATOM 505 CB ALA A 38 -13.878 7.172 -2.807 1.00 0.00 C ATOM 0 H ALA A 38 -13.557 4.799 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 38 -14.916 7.396 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -14.565 7.808 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.026 7.764 -2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.528 6.365 -3.450 1.00 0.00 H new ATOM 511 N ALA A 39 -16.999 6.455 -1.871 1.00 0.00 N ATOM 512 CA ALA A 39 -18.297 5.879 -2.245 1.00 0.00 C ATOM 513 C ALA A 39 -18.634 4.646 -1.408 1.00 0.00 C ATOM 514 O ALA A 39 -18.019 4.397 -0.371 1.00 0.00 O ATOM 515 CB ALA A 39 -18.344 5.551 -3.731 1.00 0.00 C ATOM 0 H ALA A 39 -17.069 7.387 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 39 -19.055 6.634 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.317 5.126 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.187 6.461 -4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.562 4.830 -3.969 1.00 0.00 H new ATOM 521 N GLU A 40 -19.625 3.881 -1.853 1.00 0.00 N ATOM 522 CA GLU A 40 -20.043 2.691 -1.125 1.00 0.00 C ATOM 523 C GLU A 40 -19.993 1.435 -2.001 1.00 0.00 C ATOM 524 O GLU A 40 -20.972 0.693 -2.110 1.00 0.00 O ATOM 525 CB GLU A 40 -21.441 2.906 -0.528 1.00 0.00 C ATOM 526 CG GLU A 40 -22.427 3.580 -1.468 1.00 0.00 C ATOM 527 CD GLU A 40 -23.708 3.976 -0.769 1.00 0.00 C ATOM 528 OE1 GLU A 40 -23.666 4.885 0.079 1.00 0.00 O ATOM 529 OE2 GLU A 40 -24.756 3.372 -1.059 1.00 0.00 O ATOM 0 H GLU A 40 -20.150 4.063 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 40 -19.338 2.527 -0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -21.847 1.940 -0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -21.348 3.509 0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -21.964 4.466 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -22.659 2.905 -2.292 1.00 0.00 H new ATOM 536 N GLY A 41 -18.834 1.192 -2.603 1.00 0.00 N ATOM 537 CA GLY A 41 -18.656 0.017 -3.443 1.00 0.00 C ATOM 538 C GLY A 41 -17.351 -0.697 -3.147 1.00 0.00 C ATOM 539 O GLY A 41 -16.547 -0.949 -4.044 1.00 0.00 O ATOM 0 H GLY A 41 -18.010 1.789 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -19.489 -0.669 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.678 0.314 -4.492 1.00 0.00 H new ATOM 543 N CYS A 42 -17.139 -1.005 -1.875 1.00 0.00 N ATOM 544 CA CYS A 42 -15.924 -1.677 -1.430 1.00 0.00 C ATOM 545 C CYS A 42 -16.255 -2.930 -0.611 1.00 0.00 C ATOM 546 O CYS A 42 -16.669 -3.947 -1.165 1.00 0.00 O ATOM 547 CB CYS A 42 -15.078 -0.693 -0.612 1.00 0.00 C ATOM 548 SG CYS A 42 -16.047 0.644 0.185 1.00 0.00 S ATOM 0 H CYS A 42 -17.799 -0.798 -1.126 1.00 0.00 H new ATOM 0 HA CYS A 42 -15.355 -2.003 -2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -14.540 -1.246 0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -14.329 -0.245 -1.265 1.00 0.00 H new ATOM 553 N ALA A 43 -16.086 -2.822 0.705 1.00 0.00 N ATOM 554 CA ALA A 43 -16.374 -3.896 1.658 1.00 0.00 C ATOM 555 C ALA A 43 -15.607 -5.191 1.410 1.00 0.00 C ATOM 556 O ALA A 43 -14.489 -5.191 0.877 1.00 0.00 O ATOM 557 CB ALA A 43 -17.875 -4.162 1.740 1.00 0.00 C ATOM 0 H ALA A 43 -15.739 -1.972 1.149 1.00 0.00 H new ATOM 0 HA ALA A 43 -16.015 -3.529 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -18.064 -4.964 2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -18.388 -3.257 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.247 -4.456 0.758 1.00 0.00 H new ATOM 563 N SER A 44 -16.217 -6.280 1.874 1.00 0.00 N ATOM 564 CA SER A 44 -15.652 -7.623 1.820 1.00 0.00 C ATOM 565 C SER A 44 -15.496 -8.204 0.414 1.00 0.00 C ATOM 566 O SER A 44 -15.575 -9.416 0.232 1.00 0.00 O ATOM 567 CB SER A 44 -16.516 -8.548 2.667 1.00 0.00 C ATOM 568 OG SER A 44 -17.896 -8.325 2.419 1.00 0.00 O ATOM 0 H SER A 44 -17.140 -6.250 2.308 1.00 0.00 H new ATOM 0 HA SER A 44 -14.637 -7.544 2.208 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.267 -9.586 2.448 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.302 -8.385 3.723 1.00 0.00 H new ATOM 0 HG SER A 44 -18.430 -8.932 2.973 1.00 0.00 H new ATOM 574 N CYS A 45 -15.223 -7.368 -0.571 1.00 0.00 N ATOM 575 CA CYS A 45 -14.997 -7.864 -1.919 1.00 0.00 C ATOM 576 C CYS A 45 -13.523 -7.735 -2.235 1.00 0.00 C ATOM 577 O CYS A 45 -12.952 -8.526 -2.983 1.00 0.00 O ATOM 578 CB CYS A 45 -15.808 -7.104 -2.973 1.00 0.00 C ATOM 579 SG CYS A 45 -15.494 -7.697 -4.670 1.00 0.00 S ATOM 0 H CYS A 45 -15.153 -6.356 -0.468 1.00 0.00 H new ATOM 0 HA CYS A 45 -15.323 -8.904 -1.953 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -16.870 -7.204 -2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -15.568 -6.042 -2.914 1.00 0.00 H new ATOM 584 N PHE A 46 -12.911 -6.714 -1.653 1.00 0.00 N ATOM 585 CA PHE A 46 -11.504 -6.454 -1.871 1.00 0.00 C ATOM 586 C PHE A 46 -10.669 -6.894 -0.677 1.00 0.00 C ATOM 587 O PHE A 46 -9.844 -7.792 -0.782 1.00 0.00 O ATOM 588 CB PHE A 46 -11.317 -4.962 -2.115 1.00 0.00 C ATOM 589 CG PHE A 46 -9.966 -4.562 -2.625 1.00 0.00 C ATOM 590 CD1 PHE A 46 -8.992 -5.501 -2.929 1.00 0.00 C ATOM 591 CD2 PHE A 46 -9.684 -3.226 -2.812 1.00 0.00 C ATOM 592 CE1 PHE A 46 -7.762 -5.104 -3.404 1.00 0.00 C ATOM 593 CE2 PHE A 46 -8.463 -2.822 -3.284 1.00 0.00 C ATOM 594 CZ PHE A 46 -7.497 -3.762 -3.582 1.00 0.00 C ATOM 0 H PHE A 46 -13.371 -6.054 -1.026 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.168 -7.025 -2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.070 -4.630 -2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.507 -4.431 -1.182 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.200 -6.552 -2.792 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.437 -2.486 -2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.007 -5.841 -3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.257 -1.771 -3.423 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.534 -3.447 -3.955 1.00 0.00 H new ATOM 604 N CYS A 47 -10.874 -6.229 0.448 1.00 0.00 N ATOM 605 CA CYS A 47 -10.121 -6.503 1.669 1.00 0.00 C ATOM 606 C CYS A 47 -10.563 -7.775 2.383 1.00 0.00 C ATOM 607 O CYS A 47 -10.349 -7.908 3.582 1.00 0.00 O ATOM 608 CB CYS A 47 -10.283 -5.322 2.608 1.00 0.00 C ATOM 609 SG CYS A 47 -10.127 -3.721 1.760 1.00 0.00 S ATOM 0 H CYS A 47 -11.565 -5.485 0.545 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.080 -6.653 1.382 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -11.259 -5.379 3.091 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.533 -5.385 3.396 1.00 0.00 H new ATOM 614 N GLU A 48 -11.168 -8.701 1.655 1.00 0.00 N ATOM 615 CA GLU A 48 -11.627 -9.952 2.241 1.00 0.00 C ATOM 616 C GLU A 48 -10.444 -10.821 2.641 1.00 0.00 C ATOM 617 O GLU A 48 -10.184 -11.031 3.828 1.00 0.00 O ATOM 618 CB GLU A 48 -12.511 -10.688 1.239 1.00 0.00 C ATOM 619 CG GLU A 48 -13.381 -11.786 1.850 1.00 0.00 C ATOM 620 CD GLU A 48 -14.304 -11.310 2.962 1.00 0.00 C ATOM 621 OE1 GLU A 48 -14.104 -10.200 3.492 1.00 0.00 O ATOM 622 OE2 GLU A 48 -15.225 -12.070 3.323 1.00 0.00 O ATOM 0 H GLU A 48 -11.353 -8.610 0.656 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.206 -9.733 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.157 -9.964 0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.877 -11.130 0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.984 -12.236 1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.733 -12.570 2.242 1.00 0.00 H new ATOM 629 N ASP A 49 -9.717 -11.306 1.643 1.00 0.00 N ATOM 630 CA ASP A 49 -8.543 -12.132 1.887 1.00 0.00 C ATOM 631 C ASP A 49 -7.367 -11.231 2.249 1.00 0.00 C ATOM 632 O ASP A 49 -6.346 -11.682 2.769 1.00 0.00 O ATOM 633 CB ASP A 49 -8.225 -12.969 0.647 1.00 0.00 C ATOM 634 CG ASP A 49 -7.199 -14.043 0.915 1.00 0.00 C ATOM 635 OD1 ASP A 49 -7.438 -14.887 1.804 1.00 0.00 O ATOM 636 OD2 ASP A 49 -6.160 -14.055 0.226 1.00 0.00 O ATOM 0 H ASP A 49 -9.920 -11.141 0.657 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.736 -12.814 2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.142 -13.432 0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.861 -12.314 -0.144 1.00 0.00 H new ATOM 641 N HIS A 50 -7.543 -9.941 1.980 1.00 0.00 N ATOM 642 CA HIS A 50 -6.533 -8.934 2.278 1.00 0.00 C ATOM 643 C HIS A 50 -6.900 -8.204 3.568 1.00 0.00 C ATOM 644 O HIS A 50 -7.170 -7.000 3.555 1.00 0.00 O ATOM 645 CB HIS A 50 -6.441 -7.904 1.146 1.00 0.00 C ATOM 646 CG HIS A 50 -6.261 -8.480 -0.225 1.00 0.00 C ATOM 647 ND1 HIS A 50 -5.098 -9.084 -0.650 1.00 0.00 N ATOM 648 CD2 HIS A 50 -7.107 -8.512 -1.281 1.00 0.00 C ATOM 649 CE1 HIS A 50 -5.234 -9.457 -1.911 1.00 0.00 C ATOM 650 NE2 HIS A 50 -6.446 -9.121 -2.319 1.00 0.00 N ATOM 0 H HIS A 50 -8.388 -9.566 1.550 1.00 0.00 H new ATOM 0 HA HIS A 50 -5.573 -9.438 2.386 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -7.347 -7.298 1.152 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -5.608 -7.233 1.353 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -8.117 -8.129 -1.303 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.482 -9.953 -2.507 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -6.827 -9.287 -3.251 1.00 0.00 H new ATOM 658 N CYS A 51 -6.934 -8.922 4.677 1.00 0.00 N ATOM 659 CA CYS A 51 -7.288 -8.311 5.949 1.00 0.00 C ATOM 660 C CYS A 51 -6.104 -8.345 6.908 1.00 0.00 C ATOM 661 O CYS A 51 -6.122 -9.061 7.908 1.00 0.00 O ATOM 662 CB CYS A 51 -8.497 -9.021 6.566 1.00 0.00 C ATOM 663 SG CYS A 51 -9.875 -7.902 6.992 1.00 0.00 S ATOM 0 H CYS A 51 -6.723 -9.919 4.725 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.554 -7.270 5.768 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -8.858 -9.776 5.868 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.177 -9.546 7.466 1.00 0.00 H new ATOM 668 N HIS A 52 -5.068 -7.572 6.592 1.00 0.00 N ATOM 669 CA HIS A 52 -3.874 -7.525 7.421 1.00 0.00 C ATOM 670 C HIS A 52 -3.779 -6.206 8.180 1.00 0.00 C ATOM 671 O HIS A 52 -3.810 -6.182 9.408 1.00 0.00 O ATOM 672 CB HIS A 52 -2.623 -7.707 6.560 1.00 0.00 C ATOM 673 CG HIS A 52 -1.422 -8.197 7.312 1.00 0.00 C ATOM 674 ND1 HIS A 52 -0.168 -8.247 6.753 1.00 0.00 N ATOM 675 CD2 HIS A 52 -1.292 -8.708 8.561 1.00 0.00 C ATOM 676 CE1 HIS A 52 0.681 -8.772 7.614 1.00 0.00 C ATOM 677 NE2 HIS A 52 0.026 -9.060 8.722 1.00 0.00 N ATOM 0 H HIS A 52 -5.034 -6.972 5.768 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.941 -8.338 8.144 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.847 -8.411 5.758 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.379 -6.755 6.089 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.078 -8.818 9.293 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.734 -8.938 7.441 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.431 -9.476 9.561 1.00 0.00 H new ATOM 685 N GLY A 53 -3.640 -5.107 7.444 1.00 0.00 N ATOM 686 CA GLY A 53 -3.519 -3.812 8.088 1.00 0.00 C ATOM 687 C GLY A 53 -4.387 -2.737 7.467 1.00 0.00 C ATOM 688 O GLY A 53 -5.591 -2.748 7.655 1.00 0.00 O ATOM 0 H GLY A 53 -3.609 -5.089 6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.781 -3.914 9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.478 -3.493 8.048 1.00 0.00 H new ATOM 692 N VAL A 54 -3.738 -1.808 6.754 1.00 0.00 N ATOM 693 CA VAL A 54 -4.373 -0.649 6.083 1.00 0.00 C ATOM 694 C VAL A 54 -5.912 -0.676 5.972 1.00 0.00 C ATOM 695 O VAL A 54 -6.590 0.154 6.572 1.00 0.00 O ATOM 696 CB VAL A 54 -3.776 -0.428 4.670 1.00 0.00 C ATOM 697 CG1 VAL A 54 -2.429 0.274 4.760 1.00 0.00 C ATOM 698 CG2 VAL A 54 -3.627 -1.745 3.922 1.00 0.00 C ATOM 0 H VAL A 54 -2.727 -1.836 6.620 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.141 0.179 6.753 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.468 0.205 4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.027 0.420 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.555 1.242 5.245 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.739 -0.336 5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.206 -1.557 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.964 -2.407 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.604 -2.216 3.816 1.00 0.00 H new ATOM 708 N CYS A 55 -6.458 -1.589 5.176 1.00 0.00 N ATOM 709 CA CYS A 55 -7.908 -1.649 4.979 1.00 0.00 C ATOM 710 C CYS A 55 -8.637 -2.207 6.195 1.00 0.00 C ATOM 711 O CYS A 55 -9.699 -1.713 6.567 1.00 0.00 O ATOM 712 CB CYS A 55 -8.242 -2.484 3.757 1.00 0.00 C ATOM 713 SG CYS A 55 -9.988 -2.388 3.273 1.00 0.00 S ATOM 0 H CYS A 55 -5.928 -2.292 4.660 1.00 0.00 H new ATOM 0 HA CYS A 55 -8.249 -0.624 4.830 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.623 -2.156 2.922 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.985 -3.524 3.956 1.00 0.00 H new ATOM 718 N LYS A 56 -8.057 -3.223 6.819 1.00 0.00 N ATOM 719 CA LYS A 56 -8.639 -3.832 8.005 1.00 0.00 C ATOM 720 C LYS A 56 -8.691 -2.811 9.144 1.00 0.00 C ATOM 721 O LYS A 56 -9.532 -2.901 10.039 1.00 0.00 O ATOM 722 CB LYS A 56 -7.825 -5.077 8.389 1.00 0.00 C ATOM 723 CG LYS A 56 -7.686 -5.295 9.882 1.00 0.00 C ATOM 724 CD LYS A 56 -6.935 -6.578 10.196 1.00 0.00 C ATOM 725 CE LYS A 56 -6.635 -6.698 11.682 1.00 0.00 C ATOM 726 NZ LYS A 56 -5.795 -5.568 12.168 1.00 0.00 N ATOM 0 H LYS A 56 -7.178 -3.645 6.520 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.662 -4.146 7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.296 -5.955 7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.830 -4.995 7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.162 -4.449 10.326 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.675 -5.332 10.338 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.526 -7.435 9.872 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.002 -6.602 9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.570 -6.723 12.241 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.123 -7.641 11.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.347 -5.831 13.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.059 -5.355 11.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.392 -4.728 12.310 1.00 0.00 H new ATOM 740 N ASP A 57 -7.803 -1.822 9.072 1.00 0.00 N ATOM 741 CA ASP A 57 -7.740 -0.749 10.060 1.00 0.00 C ATOM 742 C ASP A 57 -9.045 0.046 10.060 1.00 0.00 C ATOM 743 O ASP A 57 -9.490 0.534 11.098 1.00 0.00 O ATOM 744 CB ASP A 57 -6.556 0.172 9.746 1.00 0.00 C ATOM 745 CG ASP A 57 -6.374 1.265 10.773 1.00 0.00 C ATOM 746 OD1 ASP A 57 -6.349 0.953 11.979 1.00 0.00 O ATOM 747 OD2 ASP A 57 -6.228 2.438 10.373 1.00 0.00 O ATOM 0 H ASP A 57 -7.109 -1.742 8.329 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.600 -1.183 11.050 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.644 -0.423 9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.703 0.623 8.765 1.00 0.00 H new ATOM 752 N LEU A 58 -9.662 0.151 8.889 1.00 0.00 N ATOM 753 CA LEU A 58 -10.928 0.865 8.742 1.00 0.00 C ATOM 754 C LEU A 58 -12.103 -0.105 8.849 1.00 0.00 C ATOM 755 O LEU A 58 -13.265 0.305 8.837 1.00 0.00 O ATOM 756 CB LEU A 58 -10.973 1.587 7.394 1.00 0.00 C ATOM 757 CG LEU A 58 -9.792 2.519 7.112 1.00 0.00 C ATOM 758 CD1 LEU A 58 -9.890 3.093 5.709 1.00 0.00 C ATOM 759 CD2 LEU A 58 -9.739 3.638 8.138 1.00 0.00 C ATOM 0 H LEU A 58 -9.305 -0.251 8.022 1.00 0.00 H new ATOM 0 HA LEU A 58 -11.005 1.600 9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.022 0.840 6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.894 2.168 7.342 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.872 1.939 7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.042 3.753 5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.881 2.281 4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.817 3.657 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.893 4.290 7.921 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.663 4.215 8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -9.623 3.212 9.135 1.00 0.00 H new ATOM 771 N HIS A 59 -11.771 -1.393 8.952 1.00 0.00 N ATOM 772 CA HIS A 59 -12.748 -2.480 9.066 1.00 0.00 C ATOM 773 C HIS A 59 -13.605 -2.609 7.807 1.00 0.00 C ATOM 774 O HIS A 59 -14.726 -2.097 7.737 1.00 0.00 O ATOM 775 CB HIS A 59 -13.629 -2.305 10.313 1.00 0.00 C ATOM 776 CG HIS A 59 -14.438 -3.522 10.659 1.00 0.00 C ATOM 777 ND1 HIS A 59 -15.579 -3.893 9.978 1.00 0.00 N ATOM 778 CD2 HIS A 59 -14.247 -4.470 11.608 1.00 0.00 C ATOM 779 CE1 HIS A 59 -16.055 -5.015 10.492 1.00 0.00 C ATOM 780 NE2 HIS A 59 -15.265 -5.386 11.484 1.00 0.00 N ATOM 0 H HIS A 59 -10.803 -1.716 8.959 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.186 -3.407 9.174 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.995 -2.049 11.162 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -14.304 -1.464 10.154 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -15.992 -3.381 9.198 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.443 -4.501 12.329 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -16.939 -5.538 10.158 1.00 0.00 H new ATOM 788 N LEU A 60 -13.075 -3.323 6.819 1.00 0.00 N ATOM 789 CA LEU A 60 -13.784 -3.562 5.569 1.00 0.00 C ATOM 790 C LEU A 60 -13.827 -5.055 5.271 1.00 0.00 C ATOM 791 O LEU A 60 -13.905 -5.468 4.113 1.00 0.00 O ATOM 792 CB LEU A 60 -13.142 -2.817 4.391 1.00 0.00 C ATOM 793 CG LEU A 60 -13.561 -1.352 4.216 1.00 0.00 C ATOM 794 CD1 LEU A 60 -12.903 -0.470 5.258 1.00 0.00 C ATOM 795 CD2 LEU A 60 -13.218 -0.856 2.824 1.00 0.00 C ATOM 0 H LEU A 60 -12.149 -3.749 6.862 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.797 -3.180 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.059 -2.853 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.380 -3.355 3.473 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.641 -1.299 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.217 0.563 5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.198 -0.801 6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.820 -0.537 5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.524 0.185 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.143 -0.935 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.740 -1.461 2.083 1.00 0.00 H new ATOM 807 N CYS A 61 -13.777 -5.854 6.329 1.00 0.00 N ATOM 808 CA CYS A 61 -13.816 -7.304 6.215 1.00 0.00 C ATOM 809 C CYS A 61 -13.976 -7.917 7.598 1.00 0.00 C ATOM 810 O CYS A 61 -13.315 -7.433 8.537 1.00 0.00 O ATOM 811 CB CYS A 61 -12.553 -7.843 5.522 1.00 0.00 C ATOM 812 SG CYS A 61 -11.539 -8.977 6.535 1.00 0.00 S ATOM 813 OXT CYS A 61 -14.778 -8.857 7.741 1.00 0.00 O ATOM 0 H CYS A 61 -13.708 -5.515 7.288 1.00 0.00 H new ATOM 0 HA CYS A 61 -14.670 -7.584 5.598 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.850 -8.362 4.611 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.934 -6.998 5.220 1.00 0.00 H new TER 818 CYS A 61 ATOM 819 N ALA B 62 29.585 5.126 10.643 1.00 0.00 N ATOM 820 CA ALA B 62 29.431 5.461 9.209 1.00 0.00 C ATOM 821 C ALA B 62 28.050 6.045 8.953 1.00 0.00 C ATOM 822 O ALA B 62 27.155 5.936 9.793 1.00 0.00 O ATOM 823 CB ALA B 62 29.654 4.228 8.343 1.00 0.00 C ATOM 0 HA ALA B 62 30.182 6.205 8.944 1.00 0.00 H new ATOM 0 HB1 ALA B 62 29.536 4.495 7.293 1.00 0.00 H new ATOM 0 HB2 ALA B 62 30.660 3.844 8.509 1.00 0.00 H new ATOM 0 HB3 ALA B 62 28.925 3.462 8.606 1.00 0.00 H new ATOM 831 N MET B 63 27.874 6.660 7.791 1.00 0.00 N ATOM 832 CA MET B 63 26.595 7.255 7.430 1.00 0.00 C ATOM 833 C MET B 63 25.792 6.291 6.564 1.00 0.00 C ATOM 834 O MET B 63 25.628 6.514 5.363 1.00 0.00 O ATOM 835 CB MET B 63 26.798 8.575 6.672 1.00 0.00 C ATOM 836 CG MET B 63 27.665 9.599 7.397 1.00 0.00 C ATOM 837 SD MET B 63 29.426 9.203 7.328 1.00 0.00 S ATOM 838 CE MET B 63 30.129 10.610 8.185 1.00 0.00 C ATOM 0 H MET B 63 28.601 6.760 7.083 1.00 0.00 H new ATOM 0 HA MET B 63 26.048 7.460 8.350 1.00 0.00 H new ATOM 0 HB2 MET B 63 27.250 8.357 5.704 1.00 0.00 H new ATOM 0 HB3 MET B 63 25.822 9.019 6.476 1.00 0.00 H new ATOM 0 HG2 MET B 63 27.501 10.583 6.957 1.00 0.00 H new ATOM 0 HG3 MET B 63 27.352 9.660 8.439 1.00 0.00 H new ATOM 0 HE1 MET B 63 31.214 10.508 8.223 1.00 0.00 H new ATOM 0 HE2 MET B 63 29.869 11.526 7.655 1.00 0.00 H new ATOM 0 HE3 MET B 63 29.733 10.653 9.200 1.00 0.00 H new ATOM 848 N GLY B 64 25.301 5.211 7.160 1.00 0.00 N ATOM 849 CA GLY B 64 24.541 4.246 6.392 1.00 0.00 C ATOM 850 C GLY B 64 23.473 3.534 7.194 1.00 0.00 C ATOM 851 O GLY B 64 23.646 2.374 7.575 1.00 0.00 O ATOM 0 H GLY B 64 25.414 4.989 8.149 1.00 0.00 H new ATOM 0 HA2 GLY B 64 24.072 4.754 5.550 1.00 0.00 H new ATOM 0 HA3 GLY B 64 25.225 3.506 5.977 1.00 0.00 H new ATOM 855 N LYS B 65 22.353 4.208 7.425 1.00 0.00 N ATOM 856 CA LYS B 65 21.248 3.604 8.155 1.00 0.00 C ATOM 857 C LYS B 65 20.343 2.864 7.171 1.00 0.00 C ATOM 858 O LYS B 65 19.903 3.443 6.174 1.00 0.00 O ATOM 859 CB LYS B 65 20.466 4.665 8.946 1.00 0.00 C ATOM 860 CG LYS B 65 19.938 5.824 8.109 1.00 0.00 C ATOM 861 CD LYS B 65 19.291 6.886 8.988 1.00 0.00 C ATOM 862 CE LYS B 65 18.618 7.980 8.168 1.00 0.00 C ATOM 863 NZ LYS B 65 17.446 7.473 7.403 1.00 0.00 N ATOM 0 H LYS B 65 22.187 5.167 7.119 1.00 0.00 H new ATOM 0 HA LYS B 65 21.641 2.891 8.880 1.00 0.00 H new ATOM 0 HB2 LYS B 65 19.625 4.181 9.443 1.00 0.00 H new ATOM 0 HB3 LYS B 65 21.112 5.064 9.728 1.00 0.00 H new ATOM 0 HG2 LYS B 65 20.755 6.267 7.540 1.00 0.00 H new ATOM 0 HG3 LYS B 65 19.211 5.453 7.387 1.00 0.00 H new ATOM 0 HD2 LYS B 65 18.553 6.416 9.639 1.00 0.00 H new ATOM 0 HD3 LYS B 65 20.048 7.332 9.633 1.00 0.00 H new ATOM 0 HE2 LYS B 65 18.296 8.782 8.832 1.00 0.00 H new ATOM 0 HE3 LYS B 65 19.342 8.410 7.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 16.903 8.276 7.027 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 17.776 6.879 6.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 16.839 6.909 8.031 1.00 0.00 H new ATOM 877 N CYS B 66 20.107 1.576 7.432 1.00 0.00 N ATOM 878 CA CYS B 66 19.286 0.741 6.547 1.00 0.00 C ATOM 879 C CYS B 66 19.857 0.774 5.127 1.00 0.00 C ATOM 880 O CYS B 66 19.156 1.086 4.161 1.00 0.00 O ATOM 881 CB CYS B 66 17.822 1.211 6.552 1.00 0.00 C ATOM 882 SG CYS B 66 16.674 0.117 5.642 1.00 0.00 S ATOM 0 H CYS B 66 20.472 1.087 8.249 1.00 0.00 H new ATOM 0 HA CYS B 66 19.309 -0.285 6.915 1.00 0.00 H new ATOM 0 HB2 CYS B 66 17.483 1.294 7.585 1.00 0.00 H new ATOM 0 HB3 CYS B 66 17.772 2.210 6.119 1.00 0.00 H new ATOM 887 N SER B 67 21.147 0.475 5.015 1.00 0.00 N ATOM 888 CA SER B 67 21.830 0.489 3.728 1.00 0.00 C ATOM 889 C SER B 67 22.090 -0.925 3.215 1.00 0.00 C ATOM 890 O SER B 67 21.907 -1.907 3.942 1.00 0.00 O ATOM 891 CB SER B 67 23.145 1.263 3.849 1.00 0.00 C ATOM 892 OG SER B 67 23.866 0.873 5.009 1.00 0.00 O ATOM 0 H SER B 67 21.742 0.219 5.803 1.00 0.00 H new ATOM 0 HA SER B 67 21.183 0.986 3.005 1.00 0.00 H new ATOM 0 HB2 SER B 67 23.755 1.089 2.963 1.00 0.00 H new ATOM 0 HB3 SER B 67 22.938 2.332 3.889 1.00 0.00 H new ATOM 0 HG SER B 67 23.545 1.385 5.781 1.00 0.00 H new ATOM 898 N VAL B 68 22.508 -1.018 1.954 1.00 0.00 N ATOM 899 CA VAL B 68 22.786 -2.300 1.318 1.00 0.00 C ATOM 900 C VAL B 68 24.113 -2.893 1.802 1.00 0.00 C ATOM 901 O VAL B 68 25.159 -2.720 1.171 1.00 0.00 O ATOM 902 CB VAL B 68 22.813 -2.163 -0.221 1.00 0.00 C ATOM 903 CG1 VAL B 68 22.842 -3.528 -0.889 1.00 0.00 C ATOM 904 CG2 VAL B 68 21.622 -1.358 -0.717 1.00 0.00 C ATOM 0 H VAL B 68 22.662 -0.211 1.349 1.00 0.00 H new ATOM 0 HA VAL B 68 21.979 -2.976 1.602 1.00 0.00 H new ATOM 0 HB VAL B 68 23.725 -1.629 -0.490 1.00 0.00 H new ATOM 0 HG11 VAL B 68 22.861 -3.403 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL B 68 23.733 -4.070 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL B 68 21.953 -4.091 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL B 68 21.665 -1.276 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL B 68 20.698 -1.859 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL B 68 21.648 -0.361 -0.277 1.00 0.00 H new ATOM 914 N LEU B 69 24.036 -3.604 2.917 1.00 0.00 N ATOM 915 CA LEU B 69 25.182 -4.272 3.536 1.00 0.00 C ATOM 916 C LEU B 69 24.686 -5.006 4.761 1.00 0.00 C ATOM 917 O LEU B 69 24.866 -6.218 4.898 1.00 0.00 O ATOM 918 CB LEU B 69 26.284 -3.280 3.925 1.00 0.00 C ATOM 919 CG LEU B 69 27.577 -3.914 4.444 1.00 0.00 C ATOM 920 CD1 LEU B 69 28.236 -4.763 3.368 1.00 0.00 C ATOM 921 CD2 LEU B 69 28.535 -2.839 4.934 1.00 0.00 C ATOM 0 H LEU B 69 23.164 -3.738 3.429 1.00 0.00 H new ATOM 0 HA LEU B 69 25.621 -4.964 2.818 1.00 0.00 H new ATOM 0 HB2 LEU B 69 26.522 -2.667 3.056 1.00 0.00 H new ATOM 0 HB3 LEU B 69 25.894 -2.610 4.691 1.00 0.00 H new ATOM 0 HG LEU B 69 27.324 -4.564 5.281 1.00 0.00 H new ATOM 0 HD11 LEU B 69 29.153 -5.202 3.762 1.00 0.00 H new ATOM 0 HD12 LEU B 69 27.555 -5.557 3.063 1.00 0.00 H new ATOM 0 HD13 LEU B 69 28.474 -4.139 2.507 1.00 0.00 H new ATOM 0 HD21 LEU B 69 29.449 -3.306 5.300 1.00 0.00 H new ATOM 0 HD22 LEU B 69 28.776 -2.164 4.113 1.00 0.00 H new ATOM 0 HD23 LEU B 69 28.067 -2.275 5.741 1.00 0.00 H new ATOM 933 N LYS B 70 24.000 -4.267 5.621 1.00 0.00 N ATOM 934 CA LYS B 70 23.401 -4.826 6.812 1.00 0.00 C ATOM 935 C LYS B 70 22.009 -5.338 6.453 1.00 0.00 C ATOM 936 O LYS B 70 21.080 -5.322 7.259 1.00 0.00 O ATOM 937 CB LYS B 70 23.334 -3.759 7.900 1.00 0.00 C ATOM 938 CG LYS B 70 24.702 -3.326 8.409 1.00 0.00 C ATOM 939 CD LYS B 70 24.604 -2.143 9.359 1.00 0.00 C ATOM 940 CE LYS B 70 24.149 -0.892 8.624 1.00 0.00 C ATOM 941 NZ LYS B 70 24.047 0.292 9.519 1.00 0.00 N ATOM 0 H LYS B 70 23.846 -3.265 5.508 1.00 0.00 H new ATOM 0 HA LYS B 70 23.999 -5.654 7.193 1.00 0.00 H new ATOM 0 HB2 LYS B 70 22.807 -2.888 7.512 1.00 0.00 H new ATOM 0 HB3 LYS B 70 22.748 -4.140 8.736 1.00 0.00 H new ATOM 0 HG2 LYS B 70 25.181 -4.162 8.918 1.00 0.00 H new ATOM 0 HG3 LYS B 70 25.337 -3.061 7.564 1.00 0.00 H new ATOM 0 HD2 LYS B 70 23.903 -2.373 10.161 1.00 0.00 H new ATOM 0 HD3 LYS B 70 25.573 -1.964 9.824 1.00 0.00 H new ATOM 0 HE2 LYS B 70 24.849 -0.674 7.818 1.00 0.00 H new ATOM 0 HE3 LYS B 70 23.179 -1.079 8.163 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 23.606 1.080 9.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 23.466 0.052 10.347 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 24.998 0.573 9.833 1.00 0.00 H new ATOM 955 N LYS B 71 21.902 -5.780 5.204 1.00 0.00 N ATOM 956 CA LYS B 71 20.674 -6.307 4.635 1.00 0.00 C ATOM 957 C LYS B 71 20.358 -7.668 5.236 1.00 0.00 C ATOM 958 O LYS B 71 19.195 -8.051 5.365 1.00 0.00 O ATOM 959 CB LYS B 71 20.850 -6.413 3.116 1.00 0.00 C ATOM 960 CG LYS B 71 19.586 -6.781 2.357 1.00 0.00 C ATOM 961 CD LYS B 71 19.628 -8.209 1.808 1.00 0.00 C ATOM 962 CE LYS B 71 20.848 -8.451 0.919 1.00 0.00 C ATOM 963 NZ LYS B 71 20.985 -7.424 -0.153 1.00 0.00 N ATOM 0 H LYS B 71 22.684 -5.780 4.549 1.00 0.00 H new ATOM 0 HA LYS B 71 19.841 -5.641 4.861 1.00 0.00 H new ATOM 0 HB2 LYS B 71 21.220 -5.460 2.739 1.00 0.00 H new ATOM 0 HB3 LYS B 71 21.616 -7.159 2.903 1.00 0.00 H new ATOM 0 HG2 LYS B 71 18.725 -6.674 3.017 1.00 0.00 H new ATOM 0 HG3 LYS B 71 19.444 -6.082 1.533 1.00 0.00 H new ATOM 0 HD2 LYS B 71 19.640 -8.915 2.638 1.00 0.00 H new ATOM 0 HD3 LYS B 71 18.720 -8.404 1.237 1.00 0.00 H new ATOM 0 HE2 LYS B 71 21.748 -8.452 1.534 1.00 0.00 H new ATOM 0 HE3 LYS B 71 20.772 -9.439 0.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 21.826 -7.632 -0.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 20.140 -7.439 -0.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 21.085 -6.483 0.278 1.00 0.00 H new ATOM 977 N VAL B 72 21.418 -8.383 5.604 1.00 0.00 N ATOM 978 CA VAL B 72 21.298 -9.712 6.202 1.00 0.00 C ATOM 979 C VAL B 72 20.557 -9.654 7.541 1.00 0.00 C ATOM 980 O VAL B 72 19.959 -10.637 7.979 1.00 0.00 O ATOM 981 CB VAL B 72 22.694 -10.343 6.421 1.00 0.00 C ATOM 982 CG1 VAL B 72 22.583 -11.819 6.777 1.00 0.00 C ATOM 983 CG2 VAL B 72 23.562 -10.155 5.189 1.00 0.00 C ATOM 0 H VAL B 72 22.380 -8.061 5.497 1.00 0.00 H new ATOM 0 HA VAL B 72 20.726 -10.328 5.508 1.00 0.00 H new ATOM 0 HB VAL B 72 23.165 -9.832 7.260 1.00 0.00 H new ATOM 0 HG11 VAL B 72 23.580 -12.234 6.925 1.00 0.00 H new ATOM 0 HG12 VAL B 72 22.005 -11.930 7.694 1.00 0.00 H new ATOM 0 HG13 VAL B 72 22.085 -12.352 5.967 1.00 0.00 H new ATOM 0 HG21 VAL B 72 24.540 -10.605 5.361 1.00 0.00 H new ATOM 0 HG22 VAL B 72 23.087 -10.635 4.333 1.00 0.00 H new ATOM 0 HG23 VAL B 72 23.683 -9.091 4.988 1.00 0.00 H new ATOM 993 N ALA B 73 20.596 -8.492 8.190 1.00 0.00 N ATOM 994 CA ALA B 73 19.934 -8.307 9.480 1.00 0.00 C ATOM 995 C ALA B 73 18.418 -8.169 9.343 1.00 0.00 C ATOM 996 O ALA B 73 17.735 -7.812 10.303 1.00 0.00 O ATOM 997 CB ALA B 73 20.503 -7.091 10.200 1.00 0.00 C ATOM 0 H ALA B 73 21.080 -7.664 7.843 1.00 0.00 H new ATOM 0 HA ALA B 73 20.129 -9.204 10.068 1.00 0.00 H new ATOM 0 HB1 ALA B 73 19.999 -6.967 11.159 1.00 0.00 H new ATOM 0 HB2 ALA B 73 21.571 -7.233 10.367 1.00 0.00 H new ATOM 0 HB3 ALA B 73 20.347 -6.201 9.590 1.00 0.00 H new ATOM 1003 N CYS B 74 17.890 -8.454 8.160 1.00 0.00 N ATOM 1004 CA CYS B 74 16.454 -8.357 7.928 1.00 0.00 C ATOM 1005 C CYS B 74 15.706 -9.502 8.600 1.00 0.00 C ATOM 1006 O CYS B 74 14.487 -9.451 8.758 1.00 0.00 O ATOM 1007 CB CYS B 74 16.143 -8.344 6.433 1.00 0.00 C ATOM 1008 SG CYS B 74 16.558 -9.883 5.549 1.00 0.00 S ATOM 0 H CYS B 74 18.431 -8.753 7.349 1.00 0.00 H new ATOM 0 HA CYS B 74 16.117 -7.418 8.367 1.00 0.00 H new ATOM 0 HB2 CYS B 74 15.080 -8.141 6.300 1.00 0.00 H new ATOM 0 HB3 CYS B 74 16.686 -7.519 5.971 1.00 0.00 H new ATOM 1013 N ALA B 75 16.442 -10.534 8.997 1.00 0.00 N ATOM 1014 CA ALA B 75 15.852 -11.694 9.651 1.00 0.00 C ATOM 1015 C ALA B 75 15.346 -11.361 11.054 1.00 0.00 C ATOM 1016 O ALA B 75 14.721 -12.194 11.707 1.00 0.00 O ATOM 1017 CB ALA B 75 16.865 -12.828 9.721 1.00 0.00 C ATOM 0 H ALA B 75 17.453 -10.590 8.876 1.00 0.00 H new ATOM 0 HA ALA B 75 14.995 -12.006 9.054 1.00 0.00 H new ATOM 0 HB1 ALA B 75 16.413 -13.690 10.212 1.00 0.00 H new ATOM 0 HB2 ALA B 75 17.172 -13.104 8.712 1.00 0.00 H new ATOM 0 HB3 ALA B 75 17.737 -12.503 10.289 1.00 0.00 H new ATOM 1023 N ALA B 76 15.623 -10.147 11.517 1.00 0.00 N ATOM 1024 CA ALA B 76 15.198 -9.726 12.848 1.00 0.00 C ATOM 1025 C ALA B 76 13.970 -8.819 12.800 1.00 0.00 C ATOM 1026 O ALA B 76 13.021 -9.012 13.558 1.00 0.00 O ATOM 1027 CB ALA B 76 16.335 -9.021 13.570 1.00 0.00 C ATOM 0 H ALA B 76 16.138 -9.439 10.993 1.00 0.00 H new ATOM 0 HA ALA B 76 14.923 -10.627 13.397 1.00 0.00 H new ATOM 0 HB1 ALA B 76 16.001 -8.713 14.561 1.00 0.00 H new ATOM 0 HB2 ALA B 76 17.182 -9.701 13.667 1.00 0.00 H new ATOM 0 HB3 ALA B 76 16.638 -8.143 13.001 1.00 0.00 H new ATOM 1033 N ALA B 77 14.003 -7.813 11.931 1.00 0.00 N ATOM 1034 CA ALA B 77 12.896 -6.864 11.823 1.00 0.00 C ATOM 1035 C ALA B 77 11.809 -7.325 10.849 1.00 0.00 C ATOM 1036 O ALA B 77 10.623 -7.172 11.126 1.00 0.00 O ATOM 1037 CB ALA B 77 13.418 -5.494 11.411 1.00 0.00 C ATOM 0 H ALA B 77 14.779 -7.633 11.294 1.00 0.00 H new ATOM 0 HA ALA B 77 12.435 -6.804 12.809 1.00 0.00 H new ATOM 0 HB1 ALA B 77 12.585 -4.795 11.334 1.00 0.00 H new ATOM 0 HB2 ALA B 77 14.125 -5.134 12.158 1.00 0.00 H new ATOM 0 HB3 ALA B 77 13.918 -5.570 10.446 1.00 0.00 H new ATOM 1043 N ILE B 78 12.215 -7.879 9.714 1.00 0.00 N ATOM 1044 CA ILE B 78 11.274 -8.341 8.701 1.00 0.00 C ATOM 1045 C ILE B 78 10.637 -9.660 9.119 1.00 0.00 C ATOM 1046 O ILE B 78 9.428 -9.841 8.989 1.00 0.00 O ATOM 1047 CB ILE B 78 11.992 -8.456 7.334 1.00 0.00 C ATOM 1048 CG1 ILE B 78 12.332 -7.058 6.836 1.00 0.00 C ATOM 1049 CG2 ILE B 78 11.157 -9.185 6.284 1.00 0.00 C ATOM 1050 CD1 ILE B 78 13.187 -7.065 5.598 1.00 0.00 C ATOM 0 H ILE B 78 13.195 -8.020 9.471 1.00 0.00 H new ATOM 0 HA ILE B 78 10.468 -7.614 8.600 1.00 0.00 H new ATOM 0 HB ILE B 78 12.895 -9.047 7.485 1.00 0.00 H new ATOM 0 HG12 ILE B 78 11.408 -6.518 6.629 1.00 0.00 H new ATOM 0 HG13 ILE B 78 12.850 -6.513 7.625 1.00 0.00 H new ATOM 0 HG21 ILE B 78 11.712 -9.234 5.347 1.00 0.00 H new ATOM 0 HG22 ILE B 78 10.939 -10.195 6.630 1.00 0.00 H new ATOM 0 HG23 ILE B 78 10.223 -8.646 6.124 1.00 0.00 H new ATOM 0 HD11 ILE B 78 13.395 -6.039 5.293 1.00 0.00 H new ATOM 0 HD12 ILE B 78 14.126 -7.578 5.807 1.00 0.00 H new ATOM 0 HD13 ILE B 78 12.661 -7.582 4.796 1.00 0.00 H new ATOM 1062 N ALA B 79 11.447 -10.567 9.647 1.00 0.00 N ATOM 1063 CA ALA B 79 10.939 -11.851 10.103 1.00 0.00 C ATOM 1064 C ALA B 79 10.269 -11.718 11.465 1.00 0.00 C ATOM 1065 O ALA B 79 9.506 -12.590 11.883 1.00 0.00 O ATOM 1066 CB ALA B 79 12.046 -12.888 10.155 1.00 0.00 C ATOM 0 H ALA B 79 12.451 -10.438 9.769 1.00 0.00 H new ATOM 0 HA ALA B 79 10.192 -12.187 9.384 1.00 0.00 H new ATOM 0 HB1 ALA B 79 11.638 -13.838 10.499 1.00 0.00 H new ATOM 0 HB2 ALA B 79 12.473 -13.015 9.160 1.00 0.00 H new ATOM 0 HB3 ALA B 79 12.823 -12.556 10.843 1.00 0.00 H new ATOM 1072 N GLY B 80 10.550 -10.617 12.152 1.00 0.00 N ATOM 1073 CA GLY B 80 9.957 -10.381 13.453 1.00 0.00 C ATOM 1074 C GLY B 80 8.610 -9.706 13.336 1.00 0.00 C ATOM 1075 O GLY B 80 7.706 -9.957 14.134 1.00 0.00 O ATOM 0 H GLY B 80 11.180 -9.882 11.829 1.00 0.00 H new ATOM 0 HA2 GLY B 80 9.845 -11.329 13.980 1.00 0.00 H new ATOM 0 HA3 GLY B 80 10.625 -9.761 14.051 1.00 0.00 H new ATOM 1079 N ALA B 81 8.473 -8.840 12.334 1.00 0.00 N ATOM 1080 CA ALA B 81 7.226 -8.117 12.116 1.00 0.00 C ATOM 1081 C ALA B 81 6.106 -9.059 11.680 1.00 0.00 C ATOM 1082 O ALA B 81 4.923 -8.733 11.811 1.00 0.00 O ATOM 1083 CB ALA B 81 7.424 -7.007 11.097 1.00 0.00 C ATOM 0 H ALA B 81 9.210 -8.623 11.663 1.00 0.00 H new ATOM 0 HA ALA B 81 6.930 -7.668 13.064 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.483 -6.478 10.947 1.00 0.00 H new ATOM 0 HB2 ALA B 81 8.178 -6.309 11.461 1.00 0.00 H new ATOM 0 HB3 ALA B 81 7.754 -7.436 10.151 1.00 0.00 H new ATOM 1089 N VAL B 82 6.501 -10.231 11.186 1.00 0.00 N ATOM 1090 CA VAL B 82 5.577 -11.254 10.748 1.00 0.00 C ATOM 1091 C VAL B 82 4.720 -11.724 11.920 1.00 0.00 C ATOM 1092 O VAL B 82 3.492 -11.685 11.862 1.00 0.00 O ATOM 1093 CB VAL B 82 6.356 -12.443 10.140 1.00 0.00 C ATOM 1094 CG1 VAL B 82 5.428 -13.597 9.849 1.00 0.00 C ATOM 1095 CG2 VAL B 82 7.050 -12.008 8.867 1.00 0.00 C ATOM 0 H VAL B 82 7.482 -10.491 11.081 1.00 0.00 H new ATOM 0 HA VAL B 82 4.921 -10.837 9.984 1.00 0.00 H new ATOM 0 HB VAL B 82 7.102 -12.773 10.863 1.00 0.00 H new ATOM 0 HG11 VAL B 82 5.997 -14.423 9.422 1.00 0.00 H new ATOM 0 HG12 VAL B 82 4.953 -13.924 10.774 1.00 0.00 H new ATOM 0 HG13 VAL B 82 4.663 -13.279 9.141 1.00 0.00 H new ATOM 0 HG21 VAL B 82 7.597 -12.851 8.444 1.00 0.00 H new ATOM 0 HG22 VAL B 82 6.308 -11.660 8.149 1.00 0.00 H new ATOM 0 HG23 VAL B 82 7.746 -11.199 9.090 1.00 0.00 H new ATOM 1105 N ALA B 83 5.379 -12.148 12.991 1.00 0.00 N ATOM 1106 CA ALA B 83 4.685 -12.609 14.185 1.00 0.00 C ATOM 1107 C ALA B 83 3.971 -11.457 14.889 1.00 0.00 C ATOM 1108 O ALA B 83 2.974 -11.665 15.582 1.00 0.00 O ATOM 1109 CB ALA B 83 5.663 -13.284 15.133 1.00 0.00 C ATOM 0 H ALA B 83 6.396 -12.182 13.056 1.00 0.00 H new ATOM 0 HA ALA B 83 3.931 -13.334 13.879 1.00 0.00 H new ATOM 0 HB1 ALA B 83 5.132 -13.624 16.022 1.00 0.00 H new ATOM 0 HB2 ALA B 83 6.122 -14.138 14.635 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.438 -12.574 15.423 1.00 0.00 H new ATOM 1115 N ALA B 84 4.486 -10.245 14.700 1.00 0.00 N ATOM 1116 CA ALA B 84 3.907 -9.052 15.310 1.00 0.00 C ATOM 1117 C ALA B 84 2.500 -8.771 14.785 1.00 0.00 C ATOM 1118 O ALA B 84 1.615 -8.390 15.550 1.00 0.00 O ATOM 1119 CB ALA B 84 4.805 -7.848 15.069 1.00 0.00 C ATOM 0 H ALA B 84 5.309 -10.063 14.125 1.00 0.00 H new ATOM 0 HA ALA B 84 3.830 -9.236 16.382 1.00 0.00 H new ATOM 0 HB1 ALA B 84 4.361 -6.965 15.529 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.786 -8.032 15.508 1.00 0.00 H new ATOM 0 HB3 ALA B 84 4.912 -7.683 13.997 1.00 0.00 H new ATOM 1125 N CYS B 85 2.287 -8.945 13.483 1.00 0.00 N ATOM 1126 CA CYS B 85 0.968 -8.687 12.908 1.00 0.00 C ATOM 1127 C CYS B 85 0.286 -9.980 12.456 1.00 0.00 C ATOM 1128 O CYS B 85 -0.582 -9.966 11.584 1.00 0.00 O ATOM 1129 CB CYS B 85 1.059 -7.696 11.746 1.00 0.00 C ATOM 1130 SG CYS B 85 -0.532 -6.904 11.335 1.00 0.00 S ATOM 0 H CYS B 85 2.994 -9.257 12.817 1.00 0.00 H new ATOM 0 HA CYS B 85 0.356 -8.243 13.693 1.00 0.00 H new ATOM 0 HB2 CYS B 85 1.786 -6.923 11.995 1.00 0.00 H new ATOM 0 HB3 CYS B 85 1.435 -8.216 10.865 1.00 0.00 H new ATOM 1135 N GLY B 86 0.665 -11.095 13.072 1.00 0.00 N ATOM 1136 CA GLY B 86 0.056 -12.378 12.750 1.00 0.00 C ATOM 1137 C GLY B 86 0.651 -13.082 11.544 1.00 0.00 C ATOM 1138 O GLY B 86 0.988 -14.264 11.621 1.00 0.00 O ATOM 0 H GLY B 86 1.386 -11.135 13.792 1.00 0.00 H new ATOM 0 HA2 GLY B 86 0.145 -13.034 13.616 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -1.009 -12.225 12.574 1.00 0.00 H new ATOM 1142 N GLY B 87 0.754 -12.386 10.424 1.00 0.00 N ATOM 1143 CA GLY B 87 1.284 -13.012 9.225 1.00 0.00 C ATOM 1144 C GLY B 87 2.233 -12.130 8.443 1.00 0.00 C ATOM 1145 O GLY B 87 2.536 -11.007 8.854 1.00 0.00 O ATOM 0 H GLY B 87 0.484 -11.408 10.320 1.00 0.00 H new ATOM 0 HA2 GLY B 87 1.802 -13.929 9.504 1.00 0.00 H new ATOM 0 HA3 GLY B 87 0.454 -13.299 8.579 1.00 0.00 H new ATOM 1149 N ILE B 88 2.698 -12.647 7.310 1.00 0.00 N ATOM 1150 CA ILE B 88 3.619 -11.922 6.450 1.00 0.00 C ATOM 1151 C ILE B 88 2.895 -11.329 5.240 1.00 0.00 C ATOM 1152 O ILE B 88 2.063 -11.985 4.608 1.00 0.00 O ATOM 1153 CB ILE B 88 4.782 -12.836 5.977 1.00 0.00 C ATOM 1154 CG1 ILE B 88 5.649 -12.132 4.926 1.00 0.00 C ATOM 1155 CG2 ILE B 88 4.251 -14.152 5.428 1.00 0.00 C ATOM 1156 CD1 ILE B 88 6.449 -10.966 5.467 1.00 0.00 C ATOM 0 H ILE B 88 2.447 -13.574 6.966 1.00 0.00 H new ATOM 0 HA ILE B 88 4.037 -11.105 7.038 1.00 0.00 H new ATOM 0 HB ILE B 88 5.405 -13.050 6.845 1.00 0.00 H new ATOM 0 HG12 ILE B 88 6.335 -12.859 4.490 1.00 0.00 H new ATOM 0 HG13 ILE B 88 5.007 -11.776 4.120 1.00 0.00 H new ATOM 0 HG21 ILE B 88 5.085 -14.774 5.104 1.00 0.00 H new ATOM 0 HG22 ILE B 88 3.692 -14.672 6.206 1.00 0.00 H new ATOM 0 HG23 ILE B 88 3.595 -13.954 4.580 1.00 0.00 H new ATOM 0 HD11 ILE B 88 7.035 -10.522 4.662 1.00 0.00 H new ATOM 0 HD12 ILE B 88 5.770 -10.218 5.877 1.00 0.00 H new ATOM 0 HD13 ILE B 88 7.118 -11.317 6.252 1.00 0.00 H new ATOM 1168 N ASP B 89 3.238 -10.087 4.926 1.00 0.00 N ATOM 1169 CA ASP B 89 2.664 -9.371 3.796 1.00 0.00 C ATOM 1170 C ASP B 89 3.441 -8.072 3.607 1.00 0.00 C ATOM 1171 O ASP B 89 4.575 -8.091 3.133 1.00 0.00 O ATOM 1172 CB ASP B 89 1.170 -9.097 4.030 1.00 0.00 C ATOM 1173 CG ASP B 89 0.431 -8.706 2.769 1.00 0.00 C ATOM 1174 OD1 ASP B 89 1.080 -8.530 1.723 1.00 0.00 O ATOM 1175 OD2 ASP B 89 -0.804 -8.573 2.826 1.00 0.00 O ATOM 0 H ASP B 89 3.925 -9.546 5.451 1.00 0.00 H new ATOM 0 HA ASP B 89 2.741 -9.975 2.892 1.00 0.00 H new ATOM 0 HB2 ASP B 89 0.706 -9.988 4.454 1.00 0.00 H new ATOM 0 HB3 ASP B 89 1.064 -8.301 4.767 1.00 0.00 H new ATOM 1180 N LEU B 90 2.842 -6.957 4.010 1.00 0.00 N ATOM 1181 CA LEU B 90 3.485 -5.646 3.913 1.00 0.00 C ATOM 1182 C LEU B 90 2.614 -4.545 4.534 1.00 0.00 C ATOM 1183 O LEU B 90 3.111 -3.766 5.347 1.00 0.00 O ATOM 1184 CB LEU B 90 3.821 -5.293 2.456 1.00 0.00 C ATOM 1185 CG LEU B 90 4.494 -3.933 2.254 1.00 0.00 C ATOM 1186 CD1 LEU B 90 5.801 -3.846 3.035 1.00 0.00 C ATOM 1187 CD2 LEU B 90 4.740 -3.686 0.779 1.00 0.00 C ATOM 0 H LEU B 90 1.904 -6.933 4.411 1.00 0.00 H new ATOM 0 HA LEU B 90 4.416 -5.706 4.477 1.00 0.00 H new ATOM 0 HB2 LEU B 90 4.474 -6.067 2.053 1.00 0.00 H new ATOM 0 HB3 LEU B 90 2.901 -5.316 1.872 1.00 0.00 H new ATOM 0 HG LEU B 90 3.825 -3.161 2.634 1.00 0.00 H new ATOM 0 HD11 LEU B 90 6.257 -2.869 2.873 1.00 0.00 H new ATOM 0 HD12 LEU B 90 5.599 -3.981 4.098 1.00 0.00 H new ATOM 0 HD13 LEU B 90 6.482 -4.626 2.693 1.00 0.00 H new ATOM 0 HD21 LEU B 90 5.219 -2.716 0.647 1.00 0.00 H new ATOM 0 HD22 LEU B 90 5.388 -4.467 0.382 1.00 0.00 H new ATOM 0 HD23 LEU B 90 3.790 -3.697 0.245 1.00 0.00 H new ATOM 1199 N PRO B 91 1.307 -4.451 4.157 1.00 0.00 N ATOM 1200 CA PRO B 91 0.373 -3.432 4.666 1.00 0.00 C ATOM 1201 C PRO B 91 0.500 -3.140 6.162 1.00 0.00 C ATOM 1202 O PRO B 91 0.385 -1.992 6.578 1.00 0.00 O ATOM 1203 CB PRO B 91 -1.017 -4.032 4.378 1.00 0.00 C ATOM 1204 CG PRO B 91 -0.777 -5.350 3.713 1.00 0.00 C ATOM 1205 CD PRO B 91 0.622 -5.307 3.179 1.00 0.00 C ATOM 0 HA PRO B 91 0.572 -2.474 4.186 1.00 0.00 H new ATOM 0 HB2 PRO B 91 -1.584 -4.160 5.300 1.00 0.00 H new ATOM 0 HB3 PRO B 91 -1.599 -3.372 3.735 1.00 0.00 H new ATOM 0 HG2 PRO B 91 -0.897 -6.170 4.421 1.00 0.00 H new ATOM 0 HG3 PRO B 91 -1.494 -5.516 2.909 1.00 0.00 H new ATOM 0 HD2 PRO B 91 1.067 -6.300 3.126 1.00 0.00 H new ATOM 0 HD3 PRO B 91 0.660 -4.887 2.174 1.00 0.00 H new ATOM 1213 N CYS B 92 0.709 -4.173 6.965 1.00 0.00 N ATOM 1214 CA CYS B 92 0.822 -4.000 8.405 1.00 0.00 C ATOM 1215 C CYS B 92 2.232 -4.316 8.904 1.00 0.00 C ATOM 1216 O CYS B 92 2.598 -3.978 10.029 1.00 0.00 O ATOM 1217 CB CYS B 92 -0.213 -4.885 9.107 1.00 0.00 C ATOM 1218 SG CYS B 92 -0.044 -4.978 10.919 1.00 0.00 S ATOM 0 H CYS B 92 0.803 -5.137 6.645 1.00 0.00 H new ATOM 0 HA CYS B 92 0.626 -2.954 8.643 1.00 0.00 H new ATOM 0 HB2 CYS B 92 -1.209 -4.512 8.869 1.00 0.00 H new ATOM 0 HB3 CYS B 92 -0.144 -5.893 8.698 1.00 0.00 H new ATOM 1223 N VAL B 93 3.022 -4.969 8.064 1.00 0.00 N ATOM 1224 CA VAL B 93 4.379 -5.337 8.414 1.00 0.00 C ATOM 1225 C VAL B 93 5.304 -4.112 8.434 1.00 0.00 C ATOM 1226 O VAL B 93 6.391 -4.156 9.010 1.00 0.00 O ATOM 1227 CB VAL B 93 4.906 -6.386 7.412 1.00 0.00 C ATOM 1228 CG1 VAL B 93 6.197 -6.997 7.897 1.00 0.00 C ATOM 1229 CG2 VAL B 93 3.870 -7.470 7.181 1.00 0.00 C ATOM 0 H VAL B 93 2.739 -5.256 7.127 1.00 0.00 H new ATOM 0 HA VAL B 93 4.370 -5.763 9.417 1.00 0.00 H new ATOM 0 HB VAL B 93 5.100 -5.878 6.467 1.00 0.00 H new ATOM 0 HG11 VAL B 93 6.546 -7.733 7.172 1.00 0.00 H new ATOM 0 HG12 VAL B 93 6.949 -6.216 8.012 1.00 0.00 H new ATOM 0 HG13 VAL B 93 6.030 -7.485 8.857 1.00 0.00 H new ATOM 0 HG21 VAL B 93 4.260 -8.200 6.472 1.00 0.00 H new ATOM 0 HG22 VAL B 93 3.645 -7.965 8.125 1.00 0.00 H new ATOM 0 HG23 VAL B 93 2.960 -7.024 6.780 1.00 0.00 H new ATOM 1239 N LEU B 94 4.866 -3.025 7.804 1.00 0.00 N ATOM 1240 CA LEU B 94 5.659 -1.796 7.747 1.00 0.00 C ATOM 1241 C LEU B 94 5.909 -1.206 9.139 1.00 0.00 C ATOM 1242 O LEU B 94 6.962 -0.621 9.391 1.00 0.00 O ATOM 1243 CB LEU B 94 4.958 -0.743 6.890 1.00 0.00 C ATOM 1244 CG LEU B 94 5.768 0.537 6.663 1.00 0.00 C ATOM 1245 CD1 LEU B 94 6.903 0.284 5.682 1.00 0.00 C ATOM 1246 CD2 LEU B 94 4.882 1.663 6.164 1.00 0.00 C ATOM 0 H LEU B 94 3.967 -2.968 7.325 1.00 0.00 H new ATOM 0 HA LEU B 94 6.618 -2.065 7.304 1.00 0.00 H new ATOM 0 HB2 LEU B 94 4.719 -1.182 5.922 1.00 0.00 H new ATOM 0 HB3 LEU B 94 4.012 -0.480 7.363 1.00 0.00 H new ATOM 0 HG LEU B 94 6.193 0.838 7.620 1.00 0.00 H new ATOM 0 HD11 LEU B 94 7.467 1.205 5.533 1.00 0.00 H new ATOM 0 HD12 LEU B 94 7.563 -0.486 6.081 1.00 0.00 H new ATOM 0 HD13 LEU B 94 6.492 -0.048 4.728 1.00 0.00 H new ATOM 0 HD21 LEU B 94 5.484 2.559 6.012 1.00 0.00 H new ATOM 0 HD22 LEU B 94 4.420 1.372 5.221 1.00 0.00 H new ATOM 0 HD23 LEU B 94 4.105 1.868 6.901 1.00 0.00 H new ATOM 1258 N ALA B 95 4.918 -1.334 10.019 1.00 0.00 N ATOM 1259 CA ALA B 95 4.995 -0.791 11.378 1.00 0.00 C ATOM 1260 C ALA B 95 6.253 -1.229 12.123 1.00 0.00 C ATOM 1261 O ALA B 95 7.005 -0.393 12.627 1.00 0.00 O ATOM 1262 CB ALA B 95 3.760 -1.191 12.169 1.00 0.00 C ATOM 0 H ALA B 95 4.042 -1.814 9.814 1.00 0.00 H new ATOM 0 HA ALA B 95 5.043 0.294 11.282 1.00 0.00 H new ATOM 0 HB1 ALA B 95 3.826 -0.783 13.178 1.00 0.00 H new ATOM 0 HB2 ALA B 95 2.870 -0.799 11.677 1.00 0.00 H new ATOM 0 HB3 ALA B 95 3.697 -2.278 12.221 1.00 0.00 H new ATOM 1268 N ALA B 96 6.473 -2.536 12.206 1.00 0.00 N ATOM 1269 CA ALA B 96 7.638 -3.064 12.911 1.00 0.00 C ATOM 1270 C ALA B 96 8.856 -3.158 11.998 1.00 0.00 C ATOM 1271 O ALA B 96 9.889 -3.707 12.384 1.00 0.00 O ATOM 1272 CB ALA B 96 7.324 -4.422 13.524 1.00 0.00 C ATOM 0 H ALA B 96 5.866 -3.246 11.797 1.00 0.00 H new ATOM 0 HA ALA B 96 7.880 -2.365 13.712 1.00 0.00 H new ATOM 0 HB1 ALA B 96 8.204 -4.798 14.045 1.00 0.00 H new ATOM 0 HB2 ALA B 96 6.500 -4.321 14.231 1.00 0.00 H new ATOM 0 HB3 ALA B 96 7.042 -5.120 12.736 1.00 0.00 H new ATOM 1278 N LEU B 97 8.738 -2.613 10.794 1.00 0.00 N ATOM 1279 CA LEU B 97 9.840 -2.631 9.841 1.00 0.00 C ATOM 1280 C LEU B 97 10.856 -1.545 10.186 1.00 0.00 C ATOM 1281 O LEU B 97 12.054 -1.706 9.947 1.00 0.00 O ATOM 1282 CB LEU B 97 9.321 -2.446 8.408 1.00 0.00 C ATOM 1283 CG LEU B 97 10.394 -2.425 7.313 1.00 0.00 C ATOM 1284 CD1 LEU B 97 11.180 -3.726 7.304 1.00 0.00 C ATOM 1285 CD2 LEU B 97 9.763 -2.178 5.950 1.00 0.00 C ATOM 0 H LEU B 97 7.893 -2.154 10.455 1.00 0.00 H new ATOM 0 HA LEU B 97 10.333 -3.601 9.902 1.00 0.00 H new ATOM 0 HB2 LEU B 97 8.619 -3.250 8.188 1.00 0.00 H new ATOM 0 HB3 LEU B 97 8.761 -1.512 8.361 1.00 0.00 H new ATOM 0 HG LEU B 97 11.083 -1.609 7.529 1.00 0.00 H new ATOM 0 HD11 LEU B 97 11.936 -3.689 6.519 1.00 0.00 H new ATOM 0 HD12 LEU B 97 11.666 -3.864 8.270 1.00 0.00 H new ATOM 0 HD13 LEU B 97 10.503 -4.559 7.116 1.00 0.00 H new ATOM 0 HD21 LEU B 97 10.540 -2.167 5.186 1.00 0.00 H new ATOM 0 HD22 LEU B 97 9.050 -2.972 5.730 1.00 0.00 H new ATOM 0 HD23 LEU B 97 9.247 -1.218 5.957 1.00 0.00 H new ATOM 1297 N LYS B 98 10.382 -0.442 10.760 1.00 0.00 N ATOM 1298 CA LYS B 98 11.276 0.645 11.135 1.00 0.00 C ATOM 1299 C LYS B 98 11.818 0.437 12.551 1.00 0.00 C ATOM 1300 O LYS B 98 11.531 1.207 13.472 1.00 0.00 O ATOM 1301 CB LYS B 98 10.584 2.009 11.009 1.00 0.00 C ATOM 1302 CG LYS B 98 11.525 3.187 11.249 1.00 0.00 C ATOM 1303 CD LYS B 98 10.818 4.527 11.105 1.00 0.00 C ATOM 1304 CE LYS B 98 10.585 4.884 9.647 1.00 0.00 C ATOM 1305 NZ LYS B 98 9.878 6.184 9.500 1.00 0.00 N ATOM 0 H LYS B 98 9.398 -0.280 10.972 1.00 0.00 H new ATOM 0 HA LYS B 98 12.117 0.637 10.442 1.00 0.00 H new ATOM 0 HB2 LYS B 98 10.149 2.097 10.014 1.00 0.00 H new ATOM 0 HB3 LYS B 98 9.761 2.059 11.722 1.00 0.00 H new ATOM 0 HG2 LYS B 98 11.953 3.110 12.248 1.00 0.00 H new ATOM 0 HG3 LYS B 98 12.354 3.138 10.542 1.00 0.00 H new ATOM 0 HD2 LYS B 98 9.863 4.493 11.629 1.00 0.00 H new ATOM 0 HD3 LYS B 98 11.414 5.306 11.580 1.00 0.00 H new ATOM 0 HE2 LYS B 98 11.542 4.931 9.127 1.00 0.00 H new ATOM 0 HE3 LYS B 98 10.001 4.097 9.170 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 9.738 6.391 8.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 8.954 6.132 9.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.447 6.939 9.933 1.00 0.00 H new ATOM 1319 N ALA B 99 12.627 -0.597 12.706 1.00 0.00 N ATOM 1320 CA ALA B 99 13.253 -0.901 13.984 1.00 0.00 C ATOM 1321 C ALA B 99 14.714 -0.494 13.901 1.00 0.00 C ATOM 1322 O ALA B 99 15.606 -1.348 13.914 1.00 0.00 O ATOM 1323 CB ALA B 99 13.118 -2.382 14.316 1.00 0.00 C ATOM 0 H ALA B 99 12.868 -1.246 11.957 1.00 0.00 H new ATOM 0 HA ALA B 99 12.758 -0.348 14.782 1.00 0.00 H new ATOM 0 HB1 ALA B 99 13.594 -2.585 15.276 1.00 0.00 H new ATOM 0 HB2 ALA B 99 12.062 -2.648 14.371 1.00 0.00 H new ATOM 0 HB3 ALA B 99 13.601 -2.975 13.539 1.00 0.00 H new ATOM 1329 N ALA B 100 14.925 0.820 13.743 1.00 0.00 N ATOM 1330 CA ALA B 100 16.254 1.419 13.576 1.00 0.00 C ATOM 1331 C ALA B 100 16.733 1.179 12.148 1.00 0.00 C ATOM 1332 O ALA B 100 16.835 2.110 11.351 1.00 0.00 O ATOM 1333 CB ALA B 100 17.262 0.891 14.591 1.00 0.00 C ATOM 0 H ALA B 100 14.168 1.504 13.728 1.00 0.00 H new ATOM 0 HA ALA B 100 16.173 2.490 13.760 1.00 0.00 H new ATOM 0 HB1 ALA B 100 18.229 1.366 14.424 1.00 0.00 H new ATOM 0 HB2 ALA B 100 16.916 1.117 15.599 1.00 0.00 H new ATOM 0 HB3 ALA B 100 17.363 -0.188 14.476 1.00 0.00 H new ATOM 1339 N GLU B 101 16.977 -0.083 11.825 1.00 0.00 N ATOM 1340 CA GLU B 101 17.393 -0.482 10.489 1.00 0.00 C ATOM 1341 C GLU B 101 17.135 -1.974 10.292 1.00 0.00 C ATOM 1342 O GLU B 101 16.090 -2.478 10.700 1.00 0.00 O ATOM 1343 CB GLU B 101 18.863 -0.119 10.219 1.00 0.00 C ATOM 1344 CG GLU B 101 19.809 -0.378 11.377 1.00 0.00 C ATOM 1345 CD GLU B 101 21.242 -0.085 11.004 1.00 0.00 C ATOM 1346 OE1 GLU B 101 21.521 1.035 10.533 1.00 0.00 O ATOM 1347 OE2 GLU B 101 22.090 -0.977 11.166 1.00 0.00 O ATOM 0 H GLU B 101 16.892 -0.859 12.482 1.00 0.00 H new ATOM 0 HA GLU B 101 16.799 0.072 9.762 1.00 0.00 H new ATOM 0 HB2 GLU B 101 19.208 -0.684 9.353 1.00 0.00 H new ATOM 0 HB3 GLU B 101 18.918 0.937 9.953 1.00 0.00 H new ATOM 0 HG2 GLU B 101 19.521 0.240 12.227 1.00 0.00 H new ATOM 0 HG3 GLU B 101 19.721 -1.417 11.694 1.00 0.00 H new ATOM 1354 N GLY B 102 18.071 -2.679 9.669 1.00 0.00 N ATOM 1355 CA GLY B 102 17.890 -4.103 9.442 1.00 0.00 C ATOM 1356 C GLY B 102 16.881 -4.381 8.347 1.00 0.00 C ATOM 1357 O GLY B 102 16.256 -5.439 8.313 1.00 0.00 O ATOM 0 H GLY B 102 18.948 -2.294 9.318 1.00 0.00 H new ATOM 0 HA2 GLY B 102 18.847 -4.552 9.175 1.00 0.00 H new ATOM 0 HA3 GLY B 102 17.562 -4.578 10.366 1.00 0.00 H new ATOM 1361 N CYS B 103 16.717 -3.422 7.451 1.00 0.00 N ATOM 1362 CA CYS B 103 15.777 -3.551 6.348 1.00 0.00 C ATOM 1363 C CYS B 103 16.522 -3.783 5.035 1.00 0.00 C ATOM 1364 O CYS B 103 16.721 -4.929 4.620 1.00 0.00 O ATOM 1365 CB CYS B 103 14.899 -2.296 6.273 1.00 0.00 C ATOM 1366 SG CYS B 103 15.622 -0.832 7.098 1.00 0.00 S ATOM 0 H CYS B 103 17.227 -2.539 7.466 1.00 0.00 H new ATOM 0 HA CYS B 103 15.135 -4.415 6.520 1.00 0.00 H new ATOM 0 HB2 CYS B 103 14.715 -2.056 5.226 1.00 0.00 H new ATOM 0 HB3 CYS B 103 13.932 -2.514 6.725 1.00 0.00 H new ATOM 1371 N ALA B 104 16.950 -2.686 4.411 1.00 0.00 N ATOM 1372 CA ALA B 104 17.706 -2.714 3.157 1.00 0.00 C ATOM 1373 C ALA B 104 17.024 -3.503 2.043 1.00 0.00 C ATOM 1374 O ALA B 104 15.799 -3.637 2.015 1.00 0.00 O ATOM 1375 CB ALA B 104 19.112 -3.239 3.403 1.00 0.00 C ATOM 0 H ALA B 104 16.781 -1.744 4.764 1.00 0.00 H new ATOM 0 HA ALA B 104 17.753 -1.683 2.805 1.00 0.00 H new ATOM 0 HB1 ALA B 104 19.664 -3.255 2.463 1.00 0.00 H new ATOM 0 HB2 ALA B 104 19.624 -2.590 4.113 1.00 0.00 H new ATOM 0 HB3 ALA B 104 19.057 -4.249 3.809 1.00 0.00 H new ATOM 1381 N SER B 105 17.843 -3.989 1.108 1.00 0.00 N ATOM 1382 CA SER B 105 17.373 -4.734 -0.058 1.00 0.00 C ATOM 1383 C SER B 105 16.867 -6.136 0.279 1.00 0.00 C ATOM 1384 O SER B 105 16.991 -7.054 -0.526 1.00 0.00 O ATOM 1385 CB SER B 105 18.501 -4.834 -1.080 1.00 0.00 C ATOM 1386 OG SER B 105 19.567 -3.963 -0.736 1.00 0.00 O ATOM 0 H SER B 105 18.856 -3.875 1.140 1.00 0.00 H new ATOM 0 HA SER B 105 16.524 -4.184 -0.463 1.00 0.00 H new ATOM 0 HB2 SER B 105 18.865 -5.860 -1.129 1.00 0.00 H new ATOM 0 HB3 SER B 105 18.124 -4.582 -2.071 1.00 0.00 H new ATOM 0 HG SER B 105 20.024 -3.668 -1.551 1.00 0.00 H new ATOM 1392 N CYS B 106 16.266 -6.294 1.441 1.00 0.00 N ATOM 1393 CA CYS B 106 15.702 -7.576 1.826 1.00 0.00 C ATOM 1394 C CYS B 106 14.204 -7.445 1.707 1.00 0.00 C ATOM 1395 O CYS B 106 13.489 -8.393 1.389 1.00 0.00 O ATOM 1396 CB CYS B 106 16.123 -7.965 3.244 1.00 0.00 C ATOM 1397 SG CYS B 106 15.650 -9.652 3.746 1.00 0.00 S ATOM 0 H CYS B 106 16.155 -5.554 2.135 1.00 0.00 H new ATOM 0 HA CYS B 106 16.069 -8.372 1.177 1.00 0.00 H new ATOM 0 HB2 CYS B 106 17.205 -7.867 3.326 1.00 0.00 H new ATOM 0 HB3 CYS B 106 15.684 -7.256 3.946 1.00 0.00 H new ATOM 1402 N PHE B 107 13.757 -6.218 1.897 1.00 0.00 N ATOM 1403 CA PHE B 107 12.368 -5.871 1.748 1.00 0.00 C ATOM 1404 C PHE B 107 12.296 -4.762 0.728 1.00 0.00 C ATOM 1405 O PHE B 107 13.306 -4.112 0.457 1.00 0.00 O ATOM 1406 CB PHE B 107 11.764 -5.394 3.064 1.00 0.00 C ATOM 1407 CG PHE B 107 10.467 -6.063 3.420 1.00 0.00 C ATOM 1408 CD1 PHE B 107 9.750 -6.790 2.482 1.00 0.00 C ATOM 1409 CD2 PHE B 107 9.972 -5.963 4.704 1.00 0.00 C ATOM 1410 CE1 PHE B 107 8.561 -7.403 2.826 1.00 0.00 C ATOM 1411 CE2 PHE B 107 8.790 -6.572 5.057 1.00 0.00 C ATOM 1412 CZ PHE B 107 8.079 -7.295 4.116 1.00 0.00 C ATOM 0 H PHE B 107 14.355 -5.435 2.160 1.00 0.00 H new ATOM 0 HA PHE B 107 11.802 -6.747 1.432 1.00 0.00 H new ATOM 0 HB2 PHE B 107 12.482 -5.568 3.865 1.00 0.00 H new ATOM 0 HB3 PHE B 107 11.602 -4.317 3.008 1.00 0.00 H new ATOM 0 HD1 PHE B 107 10.125 -6.878 1.473 1.00 0.00 H new ATOM 0 HD2 PHE B 107 10.521 -5.398 5.443 1.00 0.00 H new ATOM 0 HE1 PHE B 107 8.009 -7.966 2.088 1.00 0.00 H new ATOM 0 HE2 PHE B 107 8.418 -6.486 6.067 1.00 0.00 H new ATOM 0 HZ PHE B 107 7.150 -7.773 4.389 1.00 0.00 H new ATOM 1422 N CYS B 108 11.117 -4.543 0.183 1.00 0.00 N ATOM 1423 CA CYS B 108 10.891 -3.494 -0.801 1.00 0.00 C ATOM 1424 C CYS B 108 11.589 -3.760 -2.139 1.00 0.00 C ATOM 1425 O CYS B 108 11.404 -2.992 -3.073 1.00 0.00 O ATOM 1426 CB CYS B 108 11.332 -2.151 -0.231 1.00 0.00 C ATOM 1427 SG CYS B 108 10.484 -1.698 1.316 1.00 0.00 S ATOM 0 H CYS B 108 10.284 -5.087 0.408 1.00 0.00 H new ATOM 0 HA CYS B 108 9.822 -3.479 -1.011 1.00 0.00 H new ATOM 0 HB2 CYS B 108 12.407 -2.178 -0.051 1.00 0.00 H new ATOM 0 HB3 CYS B 108 11.152 -1.374 -0.974 1.00 0.00 H new ATOM 1432 N GLU B 109 12.372 -4.837 -2.248 1.00 0.00 N ATOM 1433 CA GLU B 109 13.049 -5.155 -3.507 1.00 0.00 C ATOM 1434 C GLU B 109 12.041 -5.418 -4.619 1.00 0.00 C ATOM 1435 O GLU B 109 11.676 -4.512 -5.370 1.00 0.00 O ATOM 1436 CB GLU B 109 13.949 -6.371 -3.322 1.00 0.00 C ATOM 1437 CG GLU B 109 15.337 -5.999 -2.850 1.00 0.00 C ATOM 1438 CD GLU B 109 16.164 -5.377 -3.953 1.00 0.00 C ATOM 1439 OE1 GLU B 109 16.603 -6.118 -4.851 1.00 0.00 O ATOM 1440 OE2 GLU B 109 16.353 -4.146 -3.937 1.00 0.00 O ATOM 0 H GLU B 109 12.551 -5.496 -1.490 1.00 0.00 H new ATOM 0 HA GLU B 109 13.657 -4.297 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU B 109 13.493 -7.050 -2.601 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.023 -6.911 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU B 109 15.261 -5.301 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU B 109 15.843 -6.889 -2.476 1.00 0.00 H new ATOM 1447 N ASP B 110 11.572 -6.653 -4.699 1.00 0.00 N ATOM 1448 CA ASP B 110 10.577 -7.026 -5.693 1.00 0.00 C ATOM 1449 C ASP B 110 9.201 -6.724 -5.111 1.00 0.00 C ATOM 1450 O ASP B 110 8.176 -6.801 -5.787 1.00 0.00 O ATOM 1451 CB ASP B 110 10.713 -8.513 -6.048 1.00 0.00 C ATOM 1452 CG ASP B 110 9.860 -8.920 -7.230 1.00 0.00 C ATOM 1453 OD1 ASP B 110 10.028 -8.334 -8.318 1.00 0.00 O ATOM 1454 OD2 ASP B 110 9.028 -9.836 -7.072 1.00 0.00 O ATOM 0 H ASP B 110 11.864 -7.415 -4.087 1.00 0.00 H new ATOM 0 HA ASP B 110 10.721 -6.459 -6.613 1.00 0.00 H new ATOM 0 HB2 ASP B 110 11.757 -8.734 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP B 110 10.435 -9.114 -5.182 1.00 0.00 H new ATOM 1459 N HIS B 111 9.214 -6.371 -3.830 1.00 0.00 N ATOM 1460 CA HIS B 111 8.009 -6.040 -3.080 1.00 0.00 C ATOM 1461 C HIS B 111 7.843 -4.525 -2.942 1.00 0.00 C ATOM 1462 O HIS B 111 7.376 -4.035 -1.912 1.00 0.00 O ATOM 1463 CB HIS B 111 8.045 -6.669 -1.673 1.00 0.00 C ATOM 1464 CG HIS B 111 9.297 -7.439 -1.340 1.00 0.00 C ATOM 1465 ND1 HIS B 111 10.564 -6.909 -1.428 1.00 0.00 N ATOM 1466 CD2 HIS B 111 9.460 -8.702 -0.892 1.00 0.00 C ATOM 1467 CE1 HIS B 111 11.450 -7.815 -1.053 1.00 0.00 C ATOM 1468 NE2 HIS B 111 10.805 -8.914 -0.718 1.00 0.00 N ATOM 0 H HIS B 111 10.070 -6.306 -3.279 1.00 0.00 H new ATOM 0 HA HIS B 111 7.164 -6.445 -3.637 1.00 0.00 H new ATOM 0 HB2 HIS B 111 7.920 -5.876 -0.936 1.00 0.00 H new ATOM 0 HB3 HIS B 111 7.190 -7.337 -1.570 1.00 0.00 H new ATOM 0 HD2 HIS B 111 8.673 -9.417 -0.704 1.00 0.00 H new ATOM 0 HE1 HIS B 111 12.521 -7.678 -1.026 1.00 0.00 H new ATOM 0 HE2 HIS B 111 11.233 -9.778 -0.385 1.00 0.00 H new ATOM 1476 N CYS B 112 8.216 -3.777 -3.971 1.00 0.00 N ATOM 1477 CA CYS B 112 8.082 -2.324 -3.927 1.00 0.00 C ATOM 1478 C CYS B 112 6.757 -1.909 -4.551 1.00 0.00 C ATOM 1479 O CYS B 112 6.725 -1.248 -5.587 1.00 0.00 O ATOM 1480 CB CYS B 112 9.247 -1.642 -4.651 1.00 0.00 C ATOM 1481 SG CYS B 112 10.086 -0.363 -3.650 1.00 0.00 S ATOM 0 H CYS B 112 8.609 -4.144 -4.837 1.00 0.00 H new ATOM 0 HA CYS B 112 8.103 -2.007 -2.884 1.00 0.00 H new ATOM 0 HB2 CYS B 112 9.975 -2.399 -4.942 1.00 0.00 H new ATOM 0 HB3 CYS B 112 8.876 -1.187 -5.569 1.00 0.00 H new ATOM 1486 N HIS B 113 5.666 -2.332 -3.923 1.00 0.00 N ATOM 1487 CA HIS B 113 4.334 -2.042 -4.422 1.00 0.00 C ATOM 1488 C HIS B 113 3.493 -1.301 -3.381 1.00 0.00 C ATOM 1489 O HIS B 113 2.945 -0.237 -3.664 1.00 0.00 O ATOM 1490 CB HIS B 113 3.659 -3.357 -4.820 1.00 0.00 C ATOM 1491 CG HIS B 113 2.419 -3.208 -5.646 1.00 0.00 C ATOM 1492 ND1 HIS B 113 1.803 -4.282 -6.249 1.00 0.00 N ATOM 1493 CD2 HIS B 113 1.670 -2.123 -5.965 1.00 0.00 C ATOM 1494 CE1 HIS B 113 0.738 -3.868 -6.902 1.00 0.00 C ATOM 1495 NE2 HIS B 113 0.636 -2.564 -6.747 1.00 0.00 N ATOM 0 H HIS B 113 5.682 -2.880 -3.063 1.00 0.00 H new ATOM 0 HA HIS B 113 4.417 -1.389 -5.291 1.00 0.00 H new ATOM 0 HB2 HIS B 113 4.376 -3.963 -5.374 1.00 0.00 H new ATOM 0 HB3 HIS B 113 3.409 -3.909 -3.914 1.00 0.00 H new ATOM 0 HD2 HIS B 113 1.854 -1.104 -5.660 1.00 0.00 H new ATOM 0 HE1 HIS B 113 0.062 -4.492 -7.469 1.00 0.00 H new ATOM 0 HE2 HIS B 113 -0.096 -1.976 -7.146 1.00 0.00 H new ATOM 1503 N GLY B 114 3.381 -1.873 -2.186 1.00 0.00 N ATOM 1504 CA GLY B 114 2.585 -1.249 -1.140 1.00 0.00 C ATOM 1505 C GLY B 114 3.339 -0.187 -0.359 1.00 0.00 C ATOM 1506 O GLY B 114 4.062 0.621 -0.934 1.00 0.00 O ATOM 0 H GLY B 114 3.824 -2.753 -1.922 1.00 0.00 H new ATOM 0 HA2 GLY B 114 1.699 -0.799 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY B 114 2.238 -2.018 -0.450 1.00 0.00 H new ATOM 1510 N VAL B 115 3.170 -0.194 0.962 1.00 0.00 N ATOM 1511 CA VAL B 115 3.828 0.772 1.852 1.00 0.00 C ATOM 1512 C VAL B 115 5.359 0.724 1.752 1.00 0.00 C ATOM 1513 O VAL B 115 6.047 1.593 2.284 1.00 0.00 O ATOM 1514 CB VAL B 115 3.420 0.522 3.321 1.00 0.00 C ATOM 1515 CG1 VAL B 115 1.962 0.873 3.556 1.00 0.00 C ATOM 1516 CG2 VAL B 115 3.669 -0.925 3.707 1.00 0.00 C ATOM 0 H VAL B 115 2.576 -0.866 1.448 1.00 0.00 H new ATOM 0 HA VAL B 115 3.497 1.759 1.527 1.00 0.00 H new ATOM 0 HB VAL B 115 4.035 1.169 3.947 1.00 0.00 H new ATOM 0 HG11 VAL B 115 1.706 0.686 4.599 1.00 0.00 H new ATOM 0 HG12 VAL B 115 1.800 1.926 3.326 1.00 0.00 H new ATOM 0 HG13 VAL B 115 1.332 0.259 2.912 1.00 0.00 H new ATOM 0 HG21 VAL B 115 3.375 -1.080 4.745 1.00 0.00 H new ATOM 0 HG22 VAL B 115 3.083 -1.580 3.062 1.00 0.00 H new ATOM 0 HG23 VAL B 115 4.728 -1.155 3.591 1.00 0.00 H new ATOM 1526 N CYS B 116 5.887 -0.292 1.077 1.00 0.00 N ATOM 1527 CA CYS B 116 7.331 -0.445 0.921 1.00 0.00 C ATOM 1528 C CYS B 116 7.927 0.691 0.094 1.00 0.00 C ATOM 1529 O CYS B 116 9.059 1.108 0.325 1.00 0.00 O ATOM 1530 CB CYS B 116 7.656 -1.791 0.283 1.00 0.00 C ATOM 1531 SG CYS B 116 8.788 -2.808 1.274 1.00 0.00 S ATOM 0 H CYS B 116 5.336 -1.024 0.628 1.00 0.00 H new ATOM 0 HA CYS B 116 7.779 -0.406 1.914 1.00 0.00 H new ATOM 0 HB2 CYS B 116 6.729 -2.342 0.125 1.00 0.00 H new ATOM 0 HB3 CYS B 116 8.098 -1.621 -0.699 1.00 0.00 H new ATOM 1536 N LYS B 117 7.157 1.212 -0.854 1.00 0.00 N ATOM 1537 CA LYS B 117 7.630 2.328 -1.670 1.00 0.00 C ATOM 1538 C LYS B 117 7.310 3.637 -0.968 1.00 0.00 C ATOM 1539 O LYS B 117 7.997 4.639 -1.157 1.00 0.00 O ATOM 1540 CB LYS B 117 7.014 2.315 -3.073 1.00 0.00 C ATOM 1541 CG LYS B 117 5.687 1.582 -3.158 1.00 0.00 C ATOM 1542 CD LYS B 117 4.839 2.064 -4.323 1.00 0.00 C ATOM 1543 CE LYS B 117 4.133 3.370 -3.999 1.00 0.00 C ATOM 1544 NZ LYS B 117 3.145 3.738 -5.050 1.00 0.00 N ATOM 0 H LYS B 117 6.216 0.887 -1.076 1.00 0.00 H new ATOM 0 HA LYS B 117 8.708 2.225 -1.791 1.00 0.00 H new ATOM 0 HB2 LYS B 117 6.871 3.343 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS B 117 7.718 1.851 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS B 117 5.871 0.513 -3.262 1.00 0.00 H new ATOM 0 HG3 LYS B 117 5.136 1.722 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS B 117 5.470 2.199 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS B 117 4.100 1.303 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS B 117 3.626 3.281 -3.038 1.00 0.00 H new ATOM 0 HE3 LYS B 117 4.870 4.167 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 2.745 4.674 -4.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 3.617 3.765 -5.976 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 2.381 3.032 -5.071 1.00 0.00 H new ATOM 1558 N ASP B 118 6.269 3.600 -0.137 1.00 0.00 N ATOM 1559 CA ASP B 118 5.847 4.762 0.636 1.00 0.00 C ATOM 1560 C ASP B 118 6.945 5.145 1.618 1.00 0.00 C ATOM 1561 O ASP B 118 7.295 6.319 1.756 1.00 0.00 O ATOM 1562 CB ASP B 118 4.536 4.457 1.360 1.00 0.00 C ATOM 1563 CG ASP B 118 3.341 4.602 0.448 1.00 0.00 C ATOM 1564 OD1 ASP B 118 3.293 3.913 -0.587 1.00 0.00 O ATOM 1565 OD2 ASP B 118 2.456 5.418 0.761 1.00 0.00 O ATOM 0 H ASP B 118 5.699 2.768 0.017 1.00 0.00 H new ATOM 0 HA ASP B 118 5.674 5.606 -0.031 1.00 0.00 H new ATOM 0 HB2 ASP B 118 4.568 3.442 1.757 1.00 0.00 H new ATOM 0 HB3 ASP B 118 4.427 5.129 2.211 1.00 0.00 H new ATOM 1570 N LEU B 119 7.525 4.135 2.249 1.00 0.00 N ATOM 1571 CA LEU B 119 8.638 4.337 3.160 1.00 0.00 C ATOM 1572 C LEU B 119 9.895 3.958 2.385 1.00 0.00 C ATOM 1573 O LEU B 119 10.564 2.974 2.702 1.00 0.00 O ATOM 1574 CB LEU B 119 8.477 3.478 4.424 1.00 0.00 C ATOM 1575 CG LEU B 119 9.055 4.082 5.715 1.00 0.00 C ATOM 1576 CD1 LEU B 119 8.624 3.265 6.925 1.00 0.00 C ATOM 1577 CD2 LEU B 119 10.577 4.160 5.652 1.00 0.00 C ATOM 0 H LEU B 119 7.240 3.161 2.145 1.00 0.00 H new ATOM 0 HA LEU B 119 8.689 5.371 3.502 1.00 0.00 H new ATOM 0 HB2 LEU B 119 7.415 3.285 4.578 1.00 0.00 H new ATOM 0 HB3 LEU B 119 8.954 2.514 4.250 1.00 0.00 H new ATOM 0 HG LEU B 119 8.664 5.095 5.814 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.042 3.707 7.830 1.00 0.00 H new ATOM 0 HD12 LEU B 119 7.536 3.261 6.992 1.00 0.00 H new ATOM 0 HD13 LEU B 119 8.985 2.242 6.820 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.958 4.591 6.578 1.00 0.00 H new ATOM 0 HD22 LEU B 119 10.988 3.159 5.522 1.00 0.00 H new ATOM 0 HD23 LEU B 119 10.875 4.786 4.811 1.00 0.00 H new ATOM 1589 N HIS B 120 10.127 4.737 1.319 1.00 0.00 N ATOM 1590 CA HIS B 120 11.226 4.556 0.359 1.00 0.00 C ATOM 1591 C HIS B 120 12.395 3.725 0.877 1.00 0.00 C ATOM 1592 O HIS B 120 13.124 4.131 1.788 1.00 0.00 O ATOM 1593 CB HIS B 120 11.729 5.915 -0.133 1.00 0.00 C ATOM 1594 CG HIS B 120 12.676 5.817 -1.291 1.00 0.00 C ATOM 1595 ND1 HIS B 120 14.013 5.508 -1.152 1.00 0.00 N ATOM 1596 CD2 HIS B 120 12.461 5.946 -2.621 1.00 0.00 C ATOM 1597 CE1 HIS B 120 14.578 5.450 -2.345 1.00 0.00 C ATOM 1598 NE2 HIS B 120 13.658 5.711 -3.256 1.00 0.00 N ATOM 0 H HIS B 120 9.536 5.537 1.094 1.00 0.00 H new ATOM 0 HA HIS B 120 10.799 3.984 -0.465 1.00 0.00 H new ATOM 0 HB2 HIS B 120 10.875 6.527 -0.423 1.00 0.00 H new ATOM 0 HB3 HIS B 120 12.225 6.430 0.690 1.00 0.00 H new ATOM 0 HD2 HIS B 120 11.522 6.189 -3.096 1.00 0.00 H new ATOM 0 HE1 HIS B 120 15.616 5.227 -2.542 1.00 0.00 H new ATOM 0 HE2 HIS B 120 13.810 5.734 -4.264 1.00 0.00 H new ATOM 1606 N LEU B 121 12.571 2.572 0.246 1.00 0.00 N ATOM 1607 CA LEU B 121 13.647 1.658 0.567 1.00 0.00 C ATOM 1608 C LEU B 121 14.307 1.184 -0.723 1.00 0.00 C ATOM 1609 O LEU B 121 15.518 0.955 -0.766 1.00 0.00 O ATOM 1610 CB LEU B 121 13.129 0.454 1.357 1.00 0.00 C ATOM 1611 CG LEU B 121 13.821 0.202 2.700 1.00 0.00 C ATOM 1612 CD1 LEU B 121 13.475 1.299 3.693 1.00 0.00 C ATOM 1613 CD2 LEU B 121 13.431 -1.158 3.252 1.00 0.00 C ATOM 0 H LEU B 121 11.965 2.247 -0.507 1.00 0.00 H new ATOM 0 HA LEU B 121 14.375 2.182 1.186 1.00 0.00 H new ATOM 0 HB2 LEU B 121 12.063 0.591 1.537 1.00 0.00 H new ATOM 0 HB3 LEU B 121 13.236 -0.438 0.739 1.00 0.00 H new ATOM 0 HG LEU B 121 14.899 0.212 2.539 1.00 0.00 H new ATOM 0 HD11 LEU B 121 13.976 1.103 4.641 1.00 0.00 H new ATOM 0 HD12 LEU B 121 13.804 2.261 3.301 1.00 0.00 H new ATOM 0 HD13 LEU B 121 12.397 1.321 3.850 1.00 0.00 H new ATOM 0 HD21 LEU B 121 13.932 -1.320 4.206 1.00 0.00 H new ATOM 0 HD22 LEU B 121 12.351 -1.196 3.398 1.00 0.00 H new ATOM 0 HD23 LEU B 121 13.730 -1.935 2.549 1.00 0.00 H new ATOM 1625 N CYS B 122 13.503 1.054 -1.780 1.00 0.00 N ATOM 1626 CA CYS B 122 14.012 0.623 -3.075 1.00 0.00 C ATOM 1627 C CYS B 122 14.048 1.803 -4.038 1.00 0.00 C ATOM 1628 O CYS B 122 13.206 2.711 -3.895 1.00 0.00 O ATOM 1629 CB CYS B 122 13.155 -0.507 -3.671 1.00 0.00 C ATOM 1630 SG CYS B 122 11.763 0.063 -4.714 1.00 0.00 S ATOM 1631 OXT CYS B 122 14.915 1.815 -4.928 1.00 0.00 O ATOM 0 H CYS B 122 12.501 1.241 -1.761 1.00 0.00 H new ATOM 0 HA CYS B 122 15.021 0.239 -2.926 1.00 0.00 H new ATOM 0 HB2 CYS B 122 13.796 -1.156 -4.267 1.00 0.00 H new ATOM 0 HB3 CYS B 122 12.758 -1.112 -2.856 1.00 0.00 H new TER 1636 CYS B 122