USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 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: B 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 145:sc= -0.25 (180deg=-0.726) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.121 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 39:sc= 0.44! USER MOD Single : A 24 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.9!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 144:sc= -0.323 (180deg=-0.811) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot 180:sc= -0.11 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.0673! USER MOD Single : B 24 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.8!) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -18.401 -26.928 -32.026 1.00 0.00 N ATOM 2 CA ARG A 1 -17.870 -25.887 -31.098 1.00 0.00 C ATOM 3 C ARG A 1 -18.201 -26.252 -29.648 1.00 0.00 C ATOM 4 O ARG A 1 -19.284 -25.990 -29.165 1.00 0.00 O ATOM 5 CB ARG A 1 -18.580 -24.595 -31.503 1.00 0.00 C ATOM 6 CG ARG A 1 -17.778 -23.893 -32.601 1.00 0.00 C ATOM 7 CD ARG A 1 -17.942 -22.378 -32.463 1.00 0.00 C ATOM 8 NE ARG A 1 -17.035 -21.799 -33.491 1.00 0.00 N ATOM 9 CZ ARG A 1 -16.726 -20.531 -33.450 1.00 0.00 C ATOM 10 NH1 ARG A 1 -16.241 -20.013 -32.354 1.00 0.00 N ATOM 11 NH2 ARG A 1 -16.902 -19.782 -34.504 1.00 0.00 N ATOM 0 H1 ARG A 1 -18.170 -26.669 -33.007 1.00 0.00 H new ATOM 0 H2 ARG A 1 -17.970 -27.847 -31.800 1.00 0.00 H new ATOM 0 H3 ARG A 1 -19.433 -26.994 -31.919 1.00 0.00 H new ATOM 0 HA ARG A 1 -16.786 -25.792 -31.161 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -19.586 -24.817 -31.859 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -18.685 -23.939 -30.639 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -16.725 -24.164 -32.526 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -18.122 -24.219 -33.583 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -18.975 -22.075 -32.633 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -17.671 -22.041 -31.462 1.00 0.00 H new ATOM 0 HE ARG A 1 -16.655 -22.393 -34.228 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -16.104 -20.599 -31.530 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -15.999 -19.023 -32.321 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -17.281 -20.187 -35.360 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -16.661 -18.791 -34.472 1.00 0.00 H new ATOM 27 N MET A 2 -17.276 -26.854 -28.952 1.00 0.00 N ATOM 28 CA MET A 2 -17.540 -27.234 -27.535 1.00 0.00 C ATOM 29 C MET A 2 -16.417 -26.718 -26.631 1.00 0.00 C ATOM 30 O MET A 2 -15.248 -26.858 -26.934 1.00 0.00 O ATOM 31 CB MET A 2 -17.569 -28.764 -27.533 1.00 0.00 C ATOM 32 CG MET A 2 -18.820 -29.251 -28.266 1.00 0.00 C ATOM 33 SD MET A 2 -18.333 -30.306 -29.654 1.00 0.00 S ATOM 34 CE MET A 2 -19.865 -30.152 -30.605 1.00 0.00 C ATOM 0 H MET A 2 -16.350 -27.099 -29.302 1.00 0.00 H new ATOM 0 HA MET A 2 -18.471 -26.808 -27.160 1.00 0.00 H new ATOM 0 HB2 MET A 2 -16.675 -29.156 -28.018 1.00 0.00 H new ATOM 0 HB3 MET A 2 -17.566 -29.137 -26.509 1.00 0.00 H new ATOM 0 HG2 MET A 2 -19.463 -29.805 -27.582 1.00 0.00 H new ATOM 0 HG3 MET A 2 -19.397 -28.400 -28.627 1.00 0.00 H new ATOM 0 HE1 MET A 2 -19.784 -30.736 -31.522 1.00 0.00 H new ATOM 0 HE2 MET A 2 -20.701 -30.523 -30.011 1.00 0.00 H new ATOM 0 HE3 MET A 2 -20.034 -29.105 -30.855 1.00 0.00 H new ATOM 44 N LYS A 3 -16.762 -26.122 -25.523 1.00 0.00 N ATOM 45 CA LYS A 3 -15.714 -25.597 -24.601 1.00 0.00 C ATOM 46 C LYS A 3 -15.907 -26.174 -23.196 1.00 0.00 C ATOM 47 O LYS A 3 -16.940 -26.730 -22.880 1.00 0.00 O ATOM 48 CB LYS A 3 -15.917 -24.081 -24.590 1.00 0.00 C ATOM 49 CG LYS A 3 -17.408 -23.767 -24.437 1.00 0.00 C ATOM 50 CD LYS A 3 -18.002 -23.435 -25.808 1.00 0.00 C ATOM 51 CE LYS A 3 -18.990 -22.274 -25.667 1.00 0.00 C ATOM 52 NZ LYS A 3 -19.617 -22.138 -27.012 1.00 0.00 N ATOM 0 H LYS A 3 -17.724 -25.976 -25.216 1.00 0.00 H new ATOM 0 HA LYS A 3 -14.709 -25.871 -24.921 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.354 -23.634 -23.771 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.536 -23.645 -25.514 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.927 -24.620 -24.001 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.546 -22.927 -23.756 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.208 -23.169 -26.506 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.507 -24.309 -26.219 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.738 -22.482 -24.902 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.481 -21.356 -25.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.308 -21.361 -26.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.882 -21.933 -27.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.099 -23.025 -27.261 1.00 0.00 H new ATOM 66 N LYS A 4 -14.921 -26.046 -22.351 1.00 0.00 N ATOM 67 CA LYS A 4 -15.049 -26.590 -20.968 1.00 0.00 C ATOM 68 C LYS A 4 -14.311 -25.688 -19.975 1.00 0.00 C ATOM 69 O LYS A 4 -13.862 -26.134 -18.939 1.00 0.00 O ATOM 70 CB LYS A 4 -14.400 -27.973 -21.022 1.00 0.00 C ATOM 71 CG LYS A 4 -13.032 -27.868 -21.701 1.00 0.00 C ATOM 72 CD LYS A 4 -12.501 -29.272 -21.999 1.00 0.00 C ATOM 73 CE LYS A 4 -13.548 -30.055 -22.797 1.00 0.00 C ATOM 74 NZ LYS A 4 -14.153 -30.998 -21.815 1.00 0.00 N ATOM 0 H LYS A 4 -14.033 -25.589 -22.557 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.087 -26.641 -20.640 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.288 -28.374 -20.015 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.038 -28.665 -21.571 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.116 -27.296 -22.625 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.334 -27.333 -21.057 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.571 -29.208 -22.564 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.274 -29.792 -21.068 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.300 -29.390 -23.221 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.091 -30.591 -23.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.163 -31.122 -22.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.671 -31.918 -21.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.048 -30.614 -20.854 1.00 0.00 H new ATOM 88 N LYS A 5 -14.185 -24.423 -20.291 1.00 0.00 N ATOM 89 CA LYS A 5 -13.477 -23.471 -19.380 1.00 0.00 C ATOM 90 C LYS A 5 -12.299 -24.157 -18.681 1.00 0.00 C ATOM 91 O LYS A 5 -11.611 -24.974 -19.261 1.00 0.00 O ATOM 92 CB LYS A 5 -14.534 -23.021 -18.363 1.00 0.00 C ATOM 93 CG LYS A 5 -14.878 -24.168 -17.407 1.00 0.00 C ATOM 94 CD LYS A 5 -16.089 -24.937 -17.942 1.00 0.00 C ATOM 95 CE LYS A 5 -17.304 -24.658 -17.057 1.00 0.00 C ATOM 96 NZ LYS A 5 -18.483 -24.985 -17.906 1.00 0.00 N ATOM 0 H LYS A 5 -14.546 -24.005 -21.149 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.057 -22.626 -19.925 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.163 -22.166 -17.797 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.433 -22.692 -18.885 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.025 -24.839 -17.305 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.094 -23.775 -16.414 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.298 -24.638 -18.969 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.876 -26.006 -17.958 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.285 -25.271 -16.156 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.327 -23.617 -16.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.356 -24.818 -17.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.479 -24.382 -18.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.438 -25.984 -18.192 1.00 0.00 H new ATOM 110 N ASP A 6 -12.063 -23.831 -17.439 1.00 0.00 N ATOM 111 CA ASP A 6 -10.929 -24.464 -16.705 1.00 0.00 C ATOM 112 C ASP A 6 -9.613 -24.219 -17.449 1.00 0.00 C ATOM 113 O ASP A 6 -9.599 -23.964 -18.636 1.00 0.00 O ATOM 114 CB ASP A 6 -11.259 -25.957 -16.678 1.00 0.00 C ATOM 115 CG ASP A 6 -12.620 -26.167 -16.010 1.00 0.00 C ATOM 116 OD1 ASP A 6 -12.922 -25.432 -15.084 1.00 0.00 O ATOM 117 OD2 ASP A 6 -13.335 -27.060 -16.434 1.00 0.00 O ATOM 0 H ASP A 6 -12.605 -23.155 -16.901 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.807 -24.055 -15.702 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.275 -26.355 -17.693 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.487 -26.501 -16.134 1.00 0.00 H new ATOM 122 N GLU A 7 -8.509 -24.294 -16.759 1.00 0.00 N ATOM 123 CA GLU A 7 -7.195 -24.064 -17.428 1.00 0.00 C ATOM 124 C GLU A 7 -7.286 -22.865 -18.374 1.00 0.00 C ATOM 125 O GLU A 7 -7.640 -22.998 -19.529 1.00 0.00 O ATOM 126 CB GLU A 7 -6.921 -25.348 -18.212 1.00 0.00 C ATOM 127 CG GLU A 7 -6.209 -26.357 -17.309 1.00 0.00 C ATOM 128 CD GLU A 7 -4.744 -26.477 -17.732 1.00 0.00 C ATOM 129 OE1 GLU A 7 -4.318 -25.681 -18.553 1.00 0.00 O ATOM 130 OE2 GLU A 7 -4.073 -27.363 -17.230 1.00 0.00 O ATOM 0 H GLU A 7 -8.458 -24.504 -15.762 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.400 -23.845 -16.715 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.857 -25.769 -18.578 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.307 -25.129 -19.085 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.273 -26.038 -16.269 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.698 -27.329 -17.375 1.00 0.00 H new ATOM 137 N GLY A 8 -6.969 -21.693 -17.894 1.00 0.00 N ATOM 138 CA GLY A 8 -7.038 -20.487 -18.767 1.00 0.00 C ATOM 139 C GLY A 8 -6.385 -19.302 -18.054 1.00 0.00 C ATOM 140 O GLY A 8 -7.038 -18.544 -17.364 1.00 0.00 O ATOM 0 H GLY A 8 -6.666 -21.519 -16.936 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.531 -20.680 -19.713 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.076 -20.255 -19.003 1.00 0.00 H new ATOM 144 N SER A 9 -5.100 -19.135 -18.213 1.00 0.00 N ATOM 145 CA SER A 9 -4.407 -18.001 -17.543 1.00 0.00 C ATOM 146 C SER A 9 -4.824 -16.673 -18.182 1.00 0.00 C ATOM 147 O SER A 9 -5.001 -16.579 -19.380 1.00 0.00 O ATOM 148 CB SER A 9 -2.918 -18.260 -17.768 1.00 0.00 C ATOM 149 OG SER A 9 -2.602 -19.580 -17.346 1.00 0.00 O ATOM 0 H SER A 9 -4.501 -19.736 -18.779 1.00 0.00 H new ATOM 0 HA SER A 9 -4.654 -17.934 -16.483 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.670 -18.134 -18.822 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.323 -17.536 -17.212 1.00 0.00 H new ATOM 0 HG SER A 9 -1.648 -19.750 -17.490 1.00 0.00 H new ATOM 155 N TYR A 10 -4.983 -15.648 -17.390 1.00 0.00 N ATOM 156 CA TYR A 10 -5.387 -14.327 -17.953 1.00 0.00 C ATOM 157 C TYR A 10 -4.148 -13.492 -18.287 1.00 0.00 C ATOM 158 O TYR A 10 -3.637 -12.765 -17.459 1.00 0.00 O ATOM 159 CB TYR A 10 -6.203 -13.658 -16.846 1.00 0.00 C ATOM 160 CG TYR A 10 -7.152 -12.655 -17.456 1.00 0.00 C ATOM 161 CD1 TYR A 10 -6.684 -11.733 -18.401 1.00 0.00 C ATOM 162 CD2 TYR A 10 -8.499 -12.647 -17.078 1.00 0.00 C ATOM 163 CE1 TYR A 10 -7.565 -10.803 -18.966 1.00 0.00 C ATOM 164 CE2 TYR A 10 -9.381 -11.717 -17.644 1.00 0.00 C ATOM 165 CZ TYR A 10 -8.913 -10.794 -18.588 1.00 0.00 C ATOM 166 OH TYR A 10 -9.781 -9.878 -19.146 1.00 0.00 O ATOM 0 H TYR A 10 -4.851 -15.667 -16.379 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.958 -14.429 -18.876 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.761 -14.409 -16.287 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.538 -13.162 -16.139 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.644 -11.740 -18.694 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -8.859 -13.358 -16.349 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.204 -10.092 -19.694 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.421 -11.712 -17.353 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.678 -10.010 -18.775 1.00 0.00 H new ATOM 176 N ASP A 11 -3.662 -13.593 -19.494 1.00 0.00 N ATOM 177 CA ASP A 11 -2.458 -12.809 -19.879 1.00 0.00 C ATOM 178 C ASP A 11 -2.799 -11.318 -19.964 1.00 0.00 C ATOM 179 O ASP A 11 -2.756 -10.722 -21.021 1.00 0.00 O ATOM 180 CB ASP A 11 -2.059 -13.347 -21.254 1.00 0.00 C ATOM 181 CG ASP A 11 -3.184 -13.077 -22.255 1.00 0.00 C ATOM 182 OD1 ASP A 11 -4.223 -13.705 -22.131 1.00 0.00 O ATOM 183 OD2 ASP A 11 -2.988 -12.248 -23.127 1.00 0.00 O ATOM 0 H ASP A 11 -4.048 -14.185 -20.229 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.652 -12.908 -19.152 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.138 -12.870 -21.589 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.861 -14.417 -21.194 1.00 0.00 H new ATOM 188 N LEU A 12 -3.138 -10.714 -18.858 1.00 0.00 N ATOM 189 CA LEU A 12 -3.481 -9.265 -18.875 1.00 0.00 C ATOM 190 C LEU A 12 -2.353 -8.461 -19.527 1.00 0.00 C ATOM 191 O LEU A 12 -1.449 -9.011 -20.124 1.00 0.00 O ATOM 192 CB LEU A 12 -3.637 -8.874 -17.404 1.00 0.00 C ATOM 193 CG LEU A 12 -4.566 -9.868 -16.705 1.00 0.00 C ATOM 194 CD1 LEU A 12 -3.845 -10.485 -15.505 1.00 0.00 C ATOM 195 CD2 LEU A 12 -5.823 -9.139 -16.226 1.00 0.00 C ATOM 0 H LEU A 12 -3.192 -11.162 -17.943 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.386 -9.064 -19.447 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.663 -8.865 -16.914 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.042 -7.865 -17.326 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.846 -10.656 -17.403 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.507 -11.193 -15.007 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.949 -11.004 -15.846 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.564 -9.698 -14.805 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.486 -9.846 -15.728 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.542 -8.351 -15.528 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.337 -8.700 -17.081 1.00 0.00 H new ATOM 207 N GLY A 13 -2.399 -7.162 -19.416 1.00 0.00 N ATOM 208 CA GLY A 13 -1.329 -6.324 -20.030 1.00 0.00 C ATOM 209 C GLY A 13 -0.022 -6.521 -19.259 1.00 0.00 C ATOM 210 O GLY A 13 0.739 -7.429 -19.531 1.00 0.00 O ATOM 0 H GLY A 13 -3.130 -6.645 -18.928 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.192 -6.599 -21.076 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.620 -5.274 -20.012 1.00 0.00 H new ATOM 214 N LYS A 14 0.246 -5.680 -18.299 1.00 0.00 N ATOM 215 CA LYS A 14 1.501 -5.823 -17.513 1.00 0.00 C ATOM 216 C LYS A 14 1.481 -4.884 -16.301 1.00 0.00 C ATOM 217 O LYS A 14 0.889 -5.186 -15.284 1.00 0.00 O ATOM 218 CB LYS A 14 2.622 -5.445 -18.484 1.00 0.00 C ATOM 219 CG LYS A 14 3.968 -5.500 -17.758 1.00 0.00 C ATOM 220 CD LYS A 14 5.013 -4.723 -18.561 1.00 0.00 C ATOM 221 CE LYS A 14 5.869 -5.702 -19.366 1.00 0.00 C ATOM 222 NZ LYS A 14 6.975 -6.093 -18.446 1.00 0.00 N ATOM 0 H LYS A 14 -0.351 -4.900 -18.025 1.00 0.00 H new ATOM 0 HA LYS A 14 1.632 -6.831 -17.120 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.627 -6.128 -19.334 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.452 -4.444 -18.881 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.872 -5.075 -16.759 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.285 -6.536 -17.635 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.522 -4.017 -19.231 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.643 -4.139 -17.890 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.289 -6.571 -19.677 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.255 -5.236 -20.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.606 -6.765 -18.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.514 -5.247 -18.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.577 -6.540 -17.596 1.00 0.00 H new ATOM 236 N LYS A 15 2.122 -3.753 -16.397 1.00 0.00 N ATOM 237 CA LYS A 15 2.136 -2.804 -15.247 1.00 0.00 C ATOM 238 C LYS A 15 1.601 -1.436 -15.685 1.00 0.00 C ATOM 239 O LYS A 15 2.075 -0.865 -16.647 1.00 0.00 O ATOM 240 CB LYS A 15 3.604 -2.699 -14.837 1.00 0.00 C ATOM 241 CG LYS A 15 3.990 -3.919 -13.998 1.00 0.00 C ATOM 242 CD LYS A 15 4.290 -3.478 -12.564 1.00 0.00 C ATOM 243 CE LYS A 15 4.835 -4.666 -11.768 1.00 0.00 C ATOM 244 NZ LYS A 15 5.954 -4.106 -10.960 1.00 0.00 N ATOM 0 H LYS A 15 2.637 -3.444 -17.221 1.00 0.00 H new ATOM 0 HA LYS A 15 1.507 -3.143 -14.424 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.236 -2.639 -15.723 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.768 -1.785 -14.266 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.180 -4.648 -14.004 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.863 -4.409 -14.429 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.016 -2.665 -12.567 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.385 -3.096 -12.093 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.065 -5.100 -11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.184 -5.458 -12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.380 -4.862 -10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.674 -3.706 -11.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.591 -3.359 -10.334 1.00 0.00 H new ATOM 258 N PRO A 16 0.628 -0.954 -14.959 1.00 0.00 N ATOM 259 CA PRO A 16 0.019 0.361 -15.276 1.00 0.00 C ATOM 260 C PRO A 16 0.975 1.498 -14.903 1.00 0.00 C ATOM 261 O PRO A 16 1.150 1.820 -13.744 1.00 0.00 O ATOM 262 CB PRO A 16 -1.233 0.396 -14.404 1.00 0.00 C ATOM 263 CG PRO A 16 -0.940 -0.531 -13.268 1.00 0.00 C ATOM 264 CD PRO A 16 0.007 -1.582 -13.786 1.00 0.00 C ATOM 0 HA PRO A 16 -0.202 0.486 -16.336 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.437 1.405 -14.047 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.111 0.071 -14.962 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.495 0.011 -12.434 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.858 -0.988 -12.898 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.751 -1.852 -13.037 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.521 -2.497 -14.056 1.00 0.00 H new ATOM 272 N ILE A 17 1.594 2.108 -15.877 1.00 0.00 N ATOM 273 CA ILE A 17 2.536 3.225 -15.577 1.00 0.00 C ATOM 274 C ILE A 17 1.791 4.562 -15.588 1.00 0.00 C ATOM 275 O ILE A 17 0.591 4.612 -15.767 1.00 0.00 O ATOM 276 CB ILE A 17 3.578 3.184 -16.692 1.00 0.00 C ATOM 277 CG1 ILE A 17 3.970 1.733 -16.983 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.818 3.968 -16.262 1.00 0.00 C ATOM 279 CD1 ILE A 17 3.282 1.266 -18.268 1.00 0.00 C ATOM 0 H ILE A 17 1.489 1.882 -16.866 1.00 0.00 H new ATOM 0 HA ILE A 17 2.993 3.122 -14.593 1.00 0.00 H new ATOM 0 HB ILE A 17 3.157 3.631 -17.592 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.052 1.651 -17.087 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.681 1.093 -16.150 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.562 3.938 -17.058 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.542 5.003 -16.061 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.235 3.522 -15.359 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.561 0.233 -18.475 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.201 1.333 -18.147 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.594 1.900 -19.098 1.00 0.00 H new ATOM 291 N TYR A 18 2.493 5.646 -15.401 1.00 0.00 N ATOM 292 CA TYR A 18 1.823 6.978 -15.401 1.00 0.00 C ATOM 293 C TYR A 18 2.867 8.093 -15.504 1.00 0.00 C ATOM 294 O TYR A 18 3.015 8.902 -14.609 1.00 0.00 O ATOM 295 CB TYR A 18 1.087 7.052 -14.065 1.00 0.00 C ATOM 296 CG TYR A 18 -0.299 7.610 -14.283 1.00 0.00 C ATOM 297 CD1 TYR A 18 -1.070 7.167 -15.365 1.00 0.00 C ATOM 298 CD2 TYR A 18 -0.814 8.570 -13.402 1.00 0.00 C ATOM 299 CE1 TYR A 18 -2.355 7.684 -15.567 1.00 0.00 C ATOM 300 CE2 TYR A 18 -2.100 9.087 -13.604 1.00 0.00 C ATOM 301 CZ TYR A 18 -2.870 8.644 -14.688 1.00 0.00 C ATOM 302 OH TYR A 18 -4.137 9.153 -14.886 1.00 0.00 O ATOM 0 H TYR A 18 3.501 5.667 -15.248 1.00 0.00 H new ATOM 0 HA TYR A 18 1.144 7.100 -16.245 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.025 6.060 -13.617 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.639 7.683 -13.368 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.673 6.426 -16.044 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.220 8.911 -12.567 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.949 7.342 -16.401 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.498 9.826 -12.925 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.340 9.808 -14.185 1.00 0.00 H new ATOM 312 N LYS A 19 3.592 8.143 -16.588 1.00 0.00 N ATOM 313 CA LYS A 19 4.626 9.206 -16.745 1.00 0.00 C ATOM 314 C LYS A 19 4.366 10.013 -18.020 1.00 0.00 C ATOM 315 O LYS A 19 3.862 9.500 -18.999 1.00 0.00 O ATOM 316 CB LYS A 19 5.953 8.455 -16.846 1.00 0.00 C ATOM 317 CG LYS A 19 7.108 9.416 -16.556 1.00 0.00 C ATOM 318 CD LYS A 19 7.417 9.406 -15.058 1.00 0.00 C ATOM 319 CE LYS A 19 8.700 10.197 -14.796 1.00 0.00 C ATOM 320 NZ LYS A 19 8.730 10.402 -13.320 1.00 0.00 N ATOM 0 H LYS A 19 3.513 7.494 -17.371 1.00 0.00 H new ATOM 0 HA LYS A 19 4.621 9.914 -15.916 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.969 7.627 -16.138 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.065 8.025 -17.841 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.991 9.121 -17.122 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.846 10.424 -16.877 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.588 9.843 -14.502 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.531 8.381 -14.706 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.578 9.649 -15.137 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.693 11.149 -15.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.583 10.938 -13.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.885 10.932 -13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.743 9.479 -12.841 1.00 0.00 H new ATOM 334 N LYS A 20 4.708 11.273 -18.015 1.00 0.00 N ATOM 335 CA LYS A 20 4.484 12.113 -19.226 1.00 0.00 C ATOM 336 C LYS A 20 4.748 13.586 -18.901 1.00 0.00 C ATOM 337 O LYS A 20 4.496 14.045 -17.805 1.00 0.00 O ATOM 338 CB LYS A 20 3.015 11.902 -19.595 1.00 0.00 C ATOM 339 CG LYS A 20 2.924 11.303 -21.000 1.00 0.00 C ATOM 340 CD LYS A 20 3.138 12.404 -22.040 1.00 0.00 C ATOM 341 CE LYS A 20 1.943 12.445 -22.996 1.00 0.00 C ATOM 342 NZ LYS A 20 2.507 12.098 -24.330 1.00 0.00 N ATOM 0 H LYS A 20 5.133 11.757 -17.224 1.00 0.00 H new ATOM 0 HA LYS A 20 5.151 11.841 -20.044 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.539 11.238 -18.873 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.479 12.851 -19.557 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.674 10.522 -21.123 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.950 10.836 -21.145 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.254 13.368 -21.545 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.056 12.219 -22.597 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.173 11.735 -22.696 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.480 13.432 -23.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.748 12.105 -25.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.233 12.795 -24.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.935 11.151 -24.290 1.00 0.00 H new ATOM 356 N ALA A 21 5.257 14.330 -19.846 1.00 0.00 N ATOM 357 CA ALA A 21 5.536 15.772 -19.590 1.00 0.00 C ATOM 358 C ALA A 21 5.888 16.483 -20.900 1.00 0.00 C ATOM 359 O ALA A 21 6.956 16.289 -21.445 1.00 0.00 O ATOM 360 CB ALA A 21 6.732 15.780 -18.637 1.00 0.00 C ATOM 0 H ALA A 21 5.491 14.002 -20.783 1.00 0.00 H new ATOM 0 HA ALA A 21 4.675 16.291 -19.169 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.001 16.809 -18.399 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.470 15.252 -17.720 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.579 15.285 -19.112 1.00 0.00 H new ATOM 366 N PRO A 22 4.970 17.288 -21.360 1.00 0.00 N ATOM 367 CA PRO A 22 5.179 18.042 -22.620 1.00 0.00 C ATOM 368 C PRO A 22 6.185 19.177 -22.404 1.00 0.00 C ATOM 369 O PRO A 22 6.818 19.268 -21.372 1.00 0.00 O ATOM 370 CB PRO A 22 3.793 18.596 -22.939 1.00 0.00 C ATOM 371 CG PRO A 22 3.089 18.663 -21.621 1.00 0.00 C ATOM 372 CD PRO A 22 3.664 17.569 -20.757 1.00 0.00 C ATOM 0 HA PRO A 22 5.583 17.428 -23.425 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.859 19.581 -23.402 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.261 17.950 -23.638 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.234 19.638 -21.156 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.015 18.528 -21.750 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.764 17.891 -19.720 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.027 16.685 -20.756 1.00 0.00 H new ATOM 380 N THR A 23 6.332 20.043 -23.370 1.00 0.00 N ATOM 381 CA THR A 23 7.291 21.171 -23.223 1.00 0.00 C ATOM 382 C THR A 23 7.313 22.015 -24.501 1.00 0.00 C ATOM 383 O THR A 23 6.296 22.235 -25.128 1.00 0.00 O ATOM 384 CB THR A 23 8.652 20.512 -22.990 1.00 0.00 C ATOM 385 OG1 THR A 23 9.669 21.503 -23.026 1.00 0.00 O ATOM 386 CG2 THR A 23 8.911 19.472 -24.080 1.00 0.00 C ATOM 0 H THR A 23 5.827 20.016 -24.256 1.00 0.00 H new ATOM 0 HA THR A 23 7.019 21.839 -22.405 1.00 0.00 H new ATOM 0 HB THR A 23 8.657 20.022 -22.016 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.348 22.317 -22.585 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.881 19.003 -23.913 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.131 18.712 -24.050 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.906 19.958 -25.055 1.00 0.00 H new ATOM 394 N ASN A 24 8.465 22.488 -24.892 1.00 0.00 N ATOM 395 CA ASN A 24 8.549 23.316 -26.129 1.00 0.00 C ATOM 396 C ASN A 24 7.696 22.698 -27.239 1.00 0.00 C ATOM 397 O ASN A 24 7.794 21.521 -27.528 1.00 0.00 O ATOM 398 CB ASN A 24 10.028 23.299 -26.517 1.00 0.00 C ATOM 399 CG ASN A 24 10.423 24.662 -27.088 1.00 0.00 C ATOM 400 OD1 ASN A 24 9.573 25.461 -27.425 1.00 0.00 O ATOM 401 ND2 ASN A 24 11.687 24.963 -27.210 1.00 0.00 N ATOM 0 H ASN A 24 9.351 22.337 -24.409 1.00 0.00 H new ATOM 0 HA ASN A 24 8.180 24.330 -25.973 1.00 0.00 H new ATOM 0 HB2 ASN A 24 10.641 23.067 -25.646 1.00 0.00 H new ATOM 0 HB3 ASN A 24 10.212 22.517 -27.254 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.961 25.870 -27.589 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.401 24.292 -26.927 1.00 0.00 H new ATOM 408 N GLU A 25 6.860 23.481 -27.863 1.00 0.00 N ATOM 409 CA GLU A 25 6.001 22.937 -28.954 1.00 0.00 C ATOM 410 C GLU A 25 5.656 24.041 -29.956 1.00 0.00 C ATOM 411 O GLU A 25 4.686 23.953 -30.683 1.00 0.00 O ATOM 412 CB GLU A 25 4.739 22.436 -28.252 1.00 0.00 C ATOM 413 CG GLU A 25 4.740 20.906 -28.226 1.00 0.00 C ATOM 414 CD GLU A 25 3.454 20.383 -28.866 1.00 0.00 C ATOM 415 OE1 GLU A 25 2.390 20.786 -28.426 1.00 0.00 O ATOM 416 OE2 GLU A 25 3.555 19.587 -29.785 1.00 0.00 O ATOM 0 H GLU A 25 6.734 24.474 -27.665 1.00 0.00 H new ATOM 0 HA GLU A 25 6.497 22.145 -29.514 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.696 22.827 -27.235 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.853 22.801 -28.771 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.608 20.523 -28.763 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.819 20.549 -27.199 1.00 0.00 H new ATOM 423 N PHE A 26 6.443 25.081 -30.002 1.00 0.00 N ATOM 424 CA PHE A 26 6.158 26.190 -30.958 1.00 0.00 C ATOM 425 C PHE A 26 5.784 25.622 -32.330 1.00 0.00 C ATOM 426 O PHE A 26 6.309 24.615 -32.760 1.00 0.00 O ATOM 427 CB PHE A 26 7.463 26.983 -31.043 1.00 0.00 C ATOM 428 CG PHE A 26 7.184 28.442 -30.779 1.00 0.00 C ATOM 429 CD1 PHE A 26 6.147 29.091 -31.459 1.00 0.00 C ATOM 430 CD2 PHE A 26 7.962 29.148 -29.853 1.00 0.00 C ATOM 431 CE1 PHE A 26 5.888 30.445 -31.214 1.00 0.00 C ATOM 432 CE2 PHE A 26 7.703 30.502 -29.608 1.00 0.00 C ATOM 433 CZ PHE A 26 6.666 31.151 -30.288 1.00 0.00 C ATOM 0 H PHE A 26 7.270 25.211 -29.420 1.00 0.00 H new ATOM 0 HA PHE A 26 5.323 26.812 -30.634 1.00 0.00 H new ATOM 0 HB2 PHE A 26 8.180 26.602 -30.316 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.912 26.860 -32.029 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.546 28.547 -32.173 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.762 28.648 -29.328 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.088 30.945 -31.739 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.304 31.046 -28.894 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.466 32.195 -30.099 1.00 0.00 H new ATOM 443 N TYR A 27 4.880 26.262 -33.019 1.00 0.00 N ATOM 444 CA TYR A 27 4.473 25.758 -34.362 1.00 0.00 C ATOM 445 C TYR A 27 3.886 26.897 -35.200 1.00 0.00 C ATOM 446 O TYR A 27 4.106 26.981 -36.392 1.00 0.00 O ATOM 447 CB TYR A 27 3.409 24.696 -34.081 1.00 0.00 C ATOM 448 CG TYR A 27 3.906 23.348 -34.547 1.00 0.00 C ATOM 449 CD1 TYR A 27 3.772 22.978 -35.890 1.00 0.00 C ATOM 450 CD2 TYR A 27 4.503 22.470 -33.634 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.234 21.729 -36.321 1.00 0.00 C ATOM 452 CE2 TYR A 27 4.965 21.220 -34.065 1.00 0.00 C ATOM 453 CZ TYR A 27 4.829 20.849 -35.409 1.00 0.00 C ATOM 454 OH TYR A 27 5.285 19.618 -35.834 1.00 0.00 O ATOM 0 H TYR A 27 4.406 27.111 -32.711 1.00 0.00 H new ATOM 0 HA TYR A 27 5.315 25.353 -34.923 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.185 24.664 -33.015 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.482 24.951 -34.594 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.312 23.656 -36.594 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.607 22.757 -32.598 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.131 21.444 -37.358 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.426 20.542 -33.362 1.00 0.00 H new ATOM 0 HH TYR A 27 5.671 19.132 -35.075 1.00 0.00 H new ATOM 464 N ALA A 28 3.141 27.775 -34.586 1.00 0.00 N ATOM 465 CA ALA A 28 2.542 28.909 -35.347 1.00 0.00 C ATOM 466 C ALA A 28 2.607 30.195 -34.520 1.00 0.00 C ATOM 467 O ALA A 28 1.588 30.571 -33.964 1.00 0.00 O ATOM 468 CB ALA A 28 1.089 28.499 -35.589 1.00 0.00 C ATOM 469 OXT ALA A 28 3.675 30.783 -34.457 1.00 0.00 O ATOM 0 H ALA A 28 2.921 27.756 -33.590 1.00 0.00 H new ATOM 0 HA ALA A 28 3.071 29.106 -36.280 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.577 29.284 -36.146 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.063 27.572 -36.162 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.589 28.348 -34.632 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 6.006 -30.241 1.437 1.00 0.00 N ATOM 477 CA ARG B 1 5.940 -29.195 0.376 1.00 0.00 C ATOM 478 C ARG B 1 6.047 -29.838 -1.009 1.00 0.00 C ATOM 479 O ARG B 1 7.126 -30.121 -1.492 1.00 0.00 O ATOM 480 CB ARG B 1 7.142 -28.287 0.640 1.00 0.00 C ATOM 481 CG ARG B 1 6.744 -27.184 1.623 1.00 0.00 C ATOM 482 CD ARG B 1 7.530 -25.910 1.307 1.00 0.00 C ATOM 483 NE ARG B 1 6.982 -24.881 2.233 1.00 0.00 N ATOM 484 CZ ARG B 1 7.237 -23.617 2.029 1.00 0.00 C ATOM 485 NH1 ARG B 1 6.989 -23.080 0.866 1.00 0.00 N ATOM 486 NH2 ARG B 1 7.743 -22.892 2.990 1.00 0.00 N ATOM 0 H1 ARG B 1 5.932 -29.792 2.372 1.00 0.00 H new ATOM 0 H2 ARG B 1 5.221 -30.912 1.312 1.00 0.00 H new ATOM 0 H3 ARG B 1 6.911 -30.749 1.367 1.00 0.00 H new ATOM 0 HA ARG B 1 5.000 -28.644 0.398 1.00 0.00 H new ATOM 0 HB2 ARG B 1 7.969 -28.870 1.046 1.00 0.00 H new ATOM 0 HB3 ARG B 1 7.491 -27.847 -0.294 1.00 0.00 H new ATOM 0 HG2 ARG B 1 5.674 -26.990 1.554 1.00 0.00 H new ATOM 0 HG3 ARG B 1 6.945 -27.504 2.645 1.00 0.00 H new ATOM 0 HD2 ARG B 1 8.598 -26.056 1.466 1.00 0.00 H new ATOM 0 HD3 ARG B 1 7.400 -25.614 0.266 1.00 0.00 H new ATOM 0 HE ARG B 1 6.407 -25.164 3.027 1.00 0.00 H new ATOM 0 HH11 ARG B 1 6.596 -23.648 0.116 1.00 0.00 H new ATOM 0 HH12 ARG B 1 7.188 -22.092 0.707 1.00 0.00 H new ATOM 0 HH21 ARG B 1 7.938 -23.313 3.898 1.00 0.00 H new ATOM 0 HH22 ARG B 1 7.943 -21.904 2.833 1.00 0.00 H new ATOM 502 N MET B 2 4.935 -30.072 -1.652 1.00 0.00 N ATOM 503 CA MET B 2 4.975 -30.696 -3.005 1.00 0.00 C ATOM 504 C MET B 2 4.152 -29.866 -3.996 1.00 0.00 C ATOM 505 O MET B 2 3.043 -29.460 -3.709 1.00 0.00 O ATOM 506 CB MET B 2 4.353 -32.081 -2.821 1.00 0.00 C ATOM 507 CG MET B 2 5.298 -32.960 -2.001 1.00 0.00 C ATOM 508 SD MET B 2 4.448 -33.533 -0.509 1.00 0.00 S ATOM 509 CE MET B 2 5.926 -33.928 0.457 1.00 0.00 C ATOM 0 H MET B 2 4.002 -29.858 -1.299 1.00 0.00 H new ATOM 0 HA MET B 2 5.988 -30.753 -3.403 1.00 0.00 H new ATOM 0 HB2 MET B 2 3.390 -31.995 -2.317 1.00 0.00 H new ATOM 0 HB3 MET B 2 4.165 -32.539 -3.792 1.00 0.00 H new ATOM 0 HG2 MET B 2 5.626 -33.813 -2.595 1.00 0.00 H new ATOM 0 HG3 MET B 2 6.191 -32.398 -1.730 1.00 0.00 H new ATOM 0 HE1 MET B 2 5.631 -34.307 1.435 1.00 0.00 H new ATOM 0 HE2 MET B 2 6.510 -34.686 -0.065 1.00 0.00 H new ATOM 0 HE3 MET B 2 6.529 -33.029 0.583 1.00 0.00 H new ATOM 519 N LYS B 3 4.687 -29.611 -5.158 1.00 0.00 N ATOM 520 CA LYS B 3 3.936 -28.807 -6.165 1.00 0.00 C ATOM 521 C LYS B 3 3.828 -29.578 -7.484 1.00 0.00 C ATOM 522 O LYS B 3 4.519 -30.553 -7.701 1.00 0.00 O ATOM 523 CB LYS B 3 4.763 -27.535 -6.353 1.00 0.00 C ATOM 524 CG LYS B 3 6.240 -27.903 -6.502 1.00 0.00 C ATOM 525 CD LYS B 3 6.957 -27.690 -5.167 1.00 0.00 C ATOM 526 CE LYS B 3 8.339 -27.083 -5.420 1.00 0.00 C ATOM 527 NZ LYS B 3 9.001 -27.065 -4.086 1.00 0.00 N ATOM 0 H LYS B 3 5.611 -29.924 -5.454 1.00 0.00 H new ATOM 0 HA LYS B 3 2.918 -28.587 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.421 -26.994 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.627 -26.871 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.337 -28.942 -6.817 1.00 0.00 H new ATOM 0 HG3 LYS B 3 6.702 -27.291 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.370 -27.030 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS B 3 7.056 -28.639 -4.640 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.907 -27.679 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS B 3 8.259 -26.078 -5.835 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.955 -26.662 -4.177 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 8.441 -26.485 -3.429 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.069 -28.036 -3.719 1.00 0.00 H new ATOM 541 N LYS B 4 2.966 -29.148 -8.364 1.00 0.00 N ATOM 542 CA LYS B 4 2.816 -29.857 -9.667 1.00 0.00 C ATOM 543 C LYS B 4 2.502 -28.855 -10.782 1.00 0.00 C ATOM 544 O LYS B 4 1.879 -29.192 -11.768 1.00 0.00 O ATOM 545 CB LYS B 4 1.644 -30.817 -9.462 1.00 0.00 C ATOM 546 CG LYS B 4 0.468 -30.062 -8.840 1.00 0.00 C ATOM 547 CD LYS B 4 -0.599 -31.061 -8.388 1.00 0.00 C ATOM 548 CE LYS B 4 0.036 -32.110 -7.473 1.00 0.00 C ATOM 549 NZ LYS B 4 0.159 -33.331 -8.317 1.00 0.00 N ATOM 0 H LYS B 4 2.360 -28.338 -8.238 1.00 0.00 H new ATOM 0 HA LYS B 4 3.726 -30.381 -9.960 1.00 0.00 H new ATOM 0 HB2 LYS B 4 1.346 -31.253 -10.416 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.944 -31.641 -8.815 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.810 -29.470 -7.991 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.046 -29.365 -9.564 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -1.399 -30.541 -7.861 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -1.050 -31.545 -9.255 1.00 0.00 H new ATOM 0 HE2 LYS B 4 1.010 -31.781 -7.111 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -0.584 -32.297 -6.596 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 1.035 -33.835 -8.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -0.657 -33.953 -8.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 0.185 -33.058 -9.320 1.00 0.00 H new ATOM 563 N LYS B 5 2.932 -27.629 -10.624 1.00 0.00 N ATOM 564 CA LYS B 5 2.671 -26.585 -11.662 1.00 0.00 C ATOM 565 C LYS B 5 1.295 -26.785 -12.305 1.00 0.00 C ATOM 566 O LYS B 5 0.341 -27.156 -11.650 1.00 0.00 O ATOM 567 CB LYS B 5 3.791 -26.752 -12.698 1.00 0.00 C ATOM 568 CG LYS B 5 3.591 -28.043 -13.499 1.00 0.00 C ATOM 569 CD LYS B 5 4.375 -29.180 -12.842 1.00 0.00 C ATOM 570 CE LYS B 5 5.569 -29.553 -13.722 1.00 0.00 C ATOM 571 NZ LYS B 5 6.520 -30.243 -12.806 1.00 0.00 N ATOM 0 H LYS B 5 3.458 -27.303 -9.813 1.00 0.00 H new ATOM 0 HA LYS B 5 2.664 -25.583 -11.234 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.801 -25.896 -13.373 1.00 0.00 H new ATOM 0 HB3 LYS B 5 4.758 -26.774 -12.196 1.00 0.00 H new ATOM 0 HG2 LYS B 5 2.532 -28.296 -13.542 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.927 -27.902 -14.526 1.00 0.00 H new ATOM 0 HD2 LYS B 5 4.719 -28.875 -11.854 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.729 -30.047 -12.701 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.267 -30.205 -14.542 1.00 0.00 H new ATOM 0 HE3 LYS B 5 6.022 -28.668 -14.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 7.367 -30.530 -13.337 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 6.795 -29.596 -12.039 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 6.063 -31.085 -12.401 1.00 0.00 H new ATOM 585 N ASP B 6 1.184 -26.543 -13.583 1.00 0.00 N ATOM 586 CA ASP B 6 -0.130 -26.721 -14.266 1.00 0.00 C ATOM 587 C ASP B 6 -1.196 -25.853 -13.594 1.00 0.00 C ATOM 588 O ASP B 6 -1.069 -25.472 -12.446 1.00 0.00 O ATOM 589 CB ASP B 6 -0.463 -28.203 -14.103 1.00 0.00 C ATOM 590 CG ASP B 6 0.661 -29.050 -14.704 1.00 0.00 C ATOM 591 OD1 ASP B 6 1.221 -28.630 -15.703 1.00 0.00 O ATOM 592 OD2 ASP B 6 0.941 -30.102 -14.155 1.00 0.00 O ATOM 0 H ASP B 6 1.946 -26.230 -14.184 1.00 0.00 H new ATOM 0 HA ASP B 6 -0.095 -26.425 -15.314 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -0.589 -28.444 -13.047 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -1.408 -28.430 -14.597 1.00 0.00 H new ATOM 597 N GLU B 7 -2.248 -25.535 -14.299 1.00 0.00 N ATOM 598 CA GLU B 7 -3.321 -24.692 -13.699 1.00 0.00 C ATOM 599 C GLU B 7 -2.706 -23.539 -12.902 1.00 0.00 C ATOM 600 O GLU B 7 -2.410 -23.668 -11.731 1.00 0.00 O ATOM 601 CB GLU B 7 -4.092 -25.632 -12.772 1.00 0.00 C ATOM 602 CG GLU B 7 -5.189 -26.346 -13.565 1.00 0.00 C ATOM 603 CD GLU B 7 -6.555 -25.781 -13.170 1.00 0.00 C ATOM 604 OE1 GLU B 7 -6.581 -24.787 -12.463 1.00 0.00 O ATOM 605 OE2 GLU B 7 -7.552 -26.353 -13.580 1.00 0.00 O ATOM 0 H GLU B 7 -2.410 -25.823 -15.264 1.00 0.00 H new ATOM 0 HA GLU B 7 -3.966 -24.246 -14.456 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -3.413 -26.362 -12.331 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -4.532 -25.068 -11.949 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -5.024 -26.213 -14.634 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -5.156 -27.418 -13.368 1.00 0.00 H new ATOM 612 N GLY B 8 -2.509 -22.411 -13.529 1.00 0.00 N ATOM 613 CA GLY B 8 -1.911 -21.252 -12.807 1.00 0.00 C ATOM 614 C GLY B 8 -2.019 -19.997 -13.676 1.00 0.00 C ATOM 615 O GLY B 8 -1.126 -19.678 -14.435 1.00 0.00 O ATOM 0 H GLY B 8 -2.736 -22.242 -14.509 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -2.426 -21.096 -11.859 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -0.866 -21.456 -12.573 1.00 0.00 H new ATOM 619 N SER B 9 -3.107 -19.285 -13.573 1.00 0.00 N ATOM 620 CA SER B 9 -3.273 -18.054 -14.394 1.00 0.00 C ATOM 621 C SER B 9 -2.316 -16.961 -13.910 1.00 0.00 C ATOM 622 O SER B 9 -2.083 -16.805 -12.727 1.00 0.00 O ATOM 623 CB SER B 9 -4.724 -17.628 -14.180 1.00 0.00 C ATOM 624 OG SER B 9 -5.582 -18.729 -14.446 1.00 0.00 O ATOM 0 H SER B 9 -3.889 -19.503 -12.955 1.00 0.00 H new ATOM 0 HA SER B 9 -3.050 -18.227 -15.447 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.866 -17.281 -13.156 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.970 -16.794 -14.837 1.00 0.00 H new ATOM 0 HG SER B 9 -6.514 -18.458 -14.308 1.00 0.00 H new ATOM 630 N TYR B 10 -1.759 -16.203 -14.815 1.00 0.00 N ATOM 631 CA TYR B 10 -0.818 -15.121 -14.405 1.00 0.00 C ATOM 632 C TYR B 10 -1.577 -13.807 -14.208 1.00 0.00 C ATOM 633 O TYR B 10 -1.755 -13.037 -15.132 1.00 0.00 O ATOM 634 CB TYR B 10 0.174 -15.000 -15.562 1.00 0.00 C ATOM 635 CG TYR B 10 1.475 -14.427 -15.053 1.00 0.00 C ATOM 636 CD1 TYR B 10 1.468 -13.287 -14.240 1.00 0.00 C ATOM 637 CD2 TYR B 10 2.689 -15.038 -15.393 1.00 0.00 C ATOM 638 CE1 TYR B 10 2.674 -12.758 -13.768 1.00 0.00 C ATOM 639 CE2 TYR B 10 3.896 -14.507 -14.921 1.00 0.00 C ATOM 640 CZ TYR B 10 3.888 -13.367 -14.108 1.00 0.00 C ATOM 641 OH TYR B 10 5.077 -12.844 -13.642 1.00 0.00 O ATOM 0 H TYR B 10 -1.914 -16.286 -15.820 1.00 0.00 H new ATOM 0 HA TYR B 10 -0.319 -15.343 -13.462 1.00 0.00 H new ATOM 0 HB2 TYR B 10 0.346 -15.978 -16.011 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -0.237 -14.359 -16.342 1.00 0.00 H new ATOM 0 HD1 TYR B 10 0.532 -12.816 -13.977 1.00 0.00 H new ATOM 0 HD2 TYR B 10 2.694 -15.918 -16.019 1.00 0.00 H new ATOM 0 HE1 TYR B 10 2.669 -11.879 -13.141 1.00 0.00 H new ATOM 0 HE2 TYR B 10 4.832 -14.977 -15.184 1.00 0.00 H new ATOM 0 HH TYR B 10 5.824 -13.387 -13.970 1.00 0.00 H new ATOM 651 N ASP B 11 -2.028 -13.544 -13.012 1.00 0.00 N ATOM 652 CA ASP B 11 -2.775 -12.284 -12.757 1.00 0.00 C ATOM 653 C ASP B 11 -1.832 -11.080 -12.845 1.00 0.00 C ATOM 654 O ASP B 11 -1.590 -10.399 -11.869 1.00 0.00 O ATOM 655 CB ASP B 11 -3.327 -12.431 -11.338 1.00 0.00 C ATOM 656 CG ASP B 11 -2.167 -12.545 -10.348 1.00 0.00 C ATOM 657 OD1 ASP B 11 -1.496 -13.563 -10.367 1.00 0.00 O ATOM 658 OD2 ASP B 11 -1.969 -11.611 -9.588 1.00 0.00 O ATOM 0 H ASP B 11 -1.910 -14.150 -12.200 1.00 0.00 H new ATOM 0 HA ASP B 11 -3.567 -12.119 -13.488 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -3.949 -11.572 -11.088 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -3.962 -13.314 -11.273 1.00 0.00 H new ATOM 663 N LEU B 12 -1.299 -10.815 -14.006 1.00 0.00 N ATOM 664 CA LEU B 12 -0.374 -9.658 -14.155 1.00 0.00 C ATOM 665 C LEU B 12 -1.037 -8.380 -13.636 1.00 0.00 C ATOM 666 O LEU B 12 -2.072 -8.418 -13.002 1.00 0.00 O ATOM 667 CB LEU B 12 -0.107 -9.552 -15.657 1.00 0.00 C ATOM 668 CG LEU B 12 0.294 -10.922 -16.205 1.00 0.00 C ATOM 669 CD1 LEU B 12 -0.652 -11.315 -17.341 1.00 0.00 C ATOM 670 CD2 LEU B 12 1.728 -10.858 -16.737 1.00 0.00 C ATOM 0 H LEU B 12 -1.465 -11.351 -14.858 1.00 0.00 H new ATOM 0 HA LEU B 12 0.547 -9.791 -13.587 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -0.998 -9.190 -16.170 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.685 -8.828 -15.845 1.00 0.00 H new ATOM 0 HG LEU B 12 0.233 -11.663 -15.408 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.366 -12.292 -17.731 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -1.674 -11.360 -16.964 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.591 -10.574 -18.138 1.00 0.00 H new ATOM 0 HD21 LEU B 12 2.015 -11.834 -17.128 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.788 -10.116 -17.533 1.00 0.00 H new ATOM 0 HD23 LEU B 12 2.404 -10.578 -15.929 1.00 0.00 H new ATOM 682 N GLY B 13 -0.448 -7.245 -13.902 1.00 0.00 N ATOM 683 CA GLY B 13 -1.046 -5.967 -13.423 1.00 0.00 C ATOM 684 C GLY B 13 -2.333 -5.682 -14.199 1.00 0.00 C ATOM 685 O GLY B 13 -3.398 -6.142 -13.841 1.00 0.00 O ATOM 0 H GLY B 13 0.420 -7.148 -14.429 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.259 -6.031 -12.356 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -0.339 -5.149 -13.559 1.00 0.00 H new ATOM 689 N LYS B 14 -2.244 -4.930 -15.262 1.00 0.00 N ATOM 690 CA LYS B 14 -3.464 -4.621 -16.059 1.00 0.00 C ATOM 691 C LYS B 14 -3.080 -3.935 -17.374 1.00 0.00 C ATOM 692 O LYS B 14 -2.700 -4.580 -18.331 1.00 0.00 O ATOM 693 CB LYS B 14 -4.291 -3.690 -15.172 1.00 0.00 C ATOM 694 CG LYS B 14 -5.553 -3.257 -15.921 1.00 0.00 C ATOM 695 CD LYS B 14 -6.149 -2.019 -15.247 1.00 0.00 C ATOM 696 CE LYS B 14 -7.317 -2.437 -14.353 1.00 0.00 C ATOM 697 NZ LYS B 14 -8.507 -2.431 -15.247 1.00 0.00 N ATOM 0 H LYS B 14 -1.380 -4.517 -15.612 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.022 -5.517 -16.330 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -4.561 -4.198 -14.246 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -3.702 -2.816 -14.896 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -5.314 -3.038 -16.961 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -6.282 -4.068 -15.926 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -5.387 -1.512 -14.655 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -6.490 -1.310 -16.001 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -7.151 -3.425 -13.923 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -7.445 -1.745 -13.521 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -9.350 -2.708 -14.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -8.644 -1.476 -15.636 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -8.360 -3.104 -16.026 1.00 0.00 H new ATOM 711 N LYS B 15 -3.178 -2.635 -17.433 1.00 0.00 N ATOM 712 CA LYS B 15 -2.818 -1.917 -18.690 1.00 0.00 C ATOM 713 C LYS B 15 -1.744 -0.862 -18.407 1.00 0.00 C ATOM 714 O LYS B 15 -1.905 -0.033 -17.534 1.00 0.00 O ATOM 715 CB LYS B 15 -4.116 -1.251 -19.148 1.00 0.00 C ATOM 716 CG LYS B 15 -5.004 -2.283 -19.844 1.00 0.00 C ATOM 717 CD LYS B 15 -5.128 -1.936 -21.329 1.00 0.00 C ATOM 718 CE LYS B 15 -6.147 -2.866 -21.989 1.00 0.00 C ATOM 719 NZ LYS B 15 -6.944 -1.987 -22.889 1.00 0.00 N ATOM 0 H LYS B 15 -3.491 -2.039 -16.667 1.00 0.00 H new ATOM 0 HA LYS B 15 -2.413 -2.587 -19.448 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -4.639 -0.824 -18.292 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -3.894 -0.429 -19.829 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -4.580 -3.280 -19.728 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -5.990 -2.300 -19.381 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -5.439 -0.898 -21.446 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -4.159 -2.035 -21.818 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -5.652 -3.660 -22.549 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -6.781 -3.348 -21.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -7.666 -2.554 -23.378 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -7.409 -1.245 -22.327 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -6.315 -1.547 -23.591 1.00 0.00 H new ATOM 733 N PRO B 16 -0.678 -0.931 -19.159 1.00 0.00 N ATOM 734 CA PRO B 16 0.438 0.030 -18.988 1.00 0.00 C ATOM 735 C PRO B 16 0.045 1.411 -19.521 1.00 0.00 C ATOM 736 O PRO B 16 -0.008 1.634 -20.713 1.00 0.00 O ATOM 737 CB PRO B 16 1.563 -0.574 -19.823 1.00 0.00 C ATOM 738 CG PRO B 16 0.876 -1.420 -20.846 1.00 0.00 C ATOM 739 CD PRO B 16 -0.414 -1.899 -20.230 1.00 0.00 C ATOM 0 HA PRO B 16 0.719 0.177 -17.945 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.166 0.203 -20.294 1.00 0.00 H new ATOM 0 HB3 PRO B 16 2.236 -1.170 -19.206 1.00 0.00 H new ATOM 0 HG2 PRO B 16 0.681 -0.847 -21.752 1.00 0.00 H new ATOM 0 HG3 PRO B 16 1.503 -2.264 -21.132 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -1.223 -1.916 -20.961 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -0.317 -2.911 -19.838 1.00 0.00 H new ATOM 747 N ILE B 17 -0.231 2.338 -18.646 1.00 0.00 N ATOM 748 CA ILE B 17 -0.619 3.704 -19.103 1.00 0.00 C ATOM 749 C ILE B 17 0.623 4.589 -19.234 1.00 0.00 C ATOM 750 O ILE B 17 1.736 4.147 -19.031 1.00 0.00 O ATOM 751 CB ILE B 17 -1.549 4.244 -18.020 1.00 0.00 C ATOM 752 CG1 ILE B 17 -2.511 3.143 -17.566 1.00 0.00 C ATOM 753 CG2 ILE B 17 -2.352 5.421 -18.575 1.00 0.00 C ATOM 754 CD1 ILE B 17 -2.051 2.588 -16.217 1.00 0.00 C ATOM 0 H ILE B 17 -0.205 2.210 -17.634 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.104 3.687 -20.079 1.00 0.00 H new ATOM 0 HB ILE B 17 -0.953 4.576 -17.170 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.522 3.541 -17.482 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -2.543 2.345 -18.308 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.016 5.806 -17.801 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -1.670 6.209 -18.893 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.944 5.088 -19.428 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -2.736 1.804 -15.893 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.047 2.175 -16.317 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -2.042 3.389 -15.478 1.00 0.00 H new ATOM 766 N TYR B 18 0.442 5.837 -19.571 1.00 0.00 N ATOM 767 CA TYR B 18 1.613 6.749 -19.713 1.00 0.00 C ATOM 768 C TYR B 18 1.143 8.205 -19.775 1.00 0.00 C ATOM 769 O TYR B 18 1.328 8.886 -20.765 1.00 0.00 O ATOM 770 CB TYR B 18 2.275 6.342 -21.029 1.00 0.00 C ATOM 771 CG TYR B 18 3.773 6.282 -20.843 1.00 0.00 C ATOM 772 CD1 TYR B 18 4.311 5.690 -19.695 1.00 0.00 C ATOM 773 CD2 TYR B 18 4.621 6.818 -21.817 1.00 0.00 C ATOM 774 CE1 TYR B 18 5.699 5.633 -19.522 1.00 0.00 C ATOM 775 CE2 TYR B 18 6.010 6.762 -21.645 1.00 0.00 C ATOM 776 CZ TYR B 18 6.548 6.170 -20.497 1.00 0.00 C ATOM 777 OH TYR B 18 7.917 6.114 -20.327 1.00 0.00 O ATOM 0 H TYR B 18 -0.466 6.265 -19.754 1.00 0.00 H new ATOM 0 HA TYR B 18 2.301 6.673 -18.871 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.899 5.371 -21.352 1.00 0.00 H new ATOM 0 HB3 TYR B 18 2.024 7.058 -21.811 1.00 0.00 H new ATOM 0 HD1 TYR B 18 3.656 5.277 -18.942 1.00 0.00 H new ATOM 0 HD2 TYR B 18 4.205 7.275 -22.702 1.00 0.00 H new ATOM 0 HE1 TYR B 18 6.115 5.175 -18.637 1.00 0.00 H new ATOM 0 HE2 TYR B 18 6.665 7.175 -22.398 1.00 0.00 H new ATOM 0 HH TYR B 18 8.359 6.530 -21.096 1.00 0.00 H new ATOM 787 N LYS B 19 0.537 8.688 -18.725 1.00 0.00 N ATOM 788 CA LYS B 19 0.056 10.100 -18.725 1.00 0.00 C ATOM 789 C LYS B 19 0.668 10.869 -17.551 1.00 0.00 C ATOM 790 O LYS B 19 0.933 10.313 -16.503 1.00 0.00 O ATOM 791 CB LYS B 19 -1.462 10.001 -18.570 1.00 0.00 C ATOM 792 CG LYS B 19 -2.107 11.318 -19.005 1.00 0.00 C ATOM 793 CD LYS B 19 -2.434 11.257 -20.499 1.00 0.00 C ATOM 794 CE LYS B 19 -3.266 12.480 -20.890 1.00 0.00 C ATOM 795 NZ LYS B 19 -3.246 12.498 -22.380 1.00 0.00 N ATOM 0 H LYS B 19 0.354 8.167 -17.867 1.00 0.00 H new ATOM 0 HA LYS B 19 0.339 10.632 -19.633 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.847 9.179 -19.173 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.719 9.783 -17.533 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -3.015 11.498 -18.430 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -1.432 12.150 -18.803 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -1.514 11.228 -21.083 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -2.983 10.343 -20.725 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -4.285 12.403 -20.510 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -2.841 13.395 -20.478 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -3.797 13.310 -22.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -2.264 12.579 -22.713 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -3.663 11.617 -22.743 1.00 0.00 H new ATOM 809 N LYS B 20 0.891 12.144 -17.717 1.00 0.00 N ATOM 810 CA LYS B 20 1.482 12.950 -16.613 1.00 0.00 C ATOM 811 C LYS B 20 1.859 14.345 -17.120 1.00 0.00 C ATOM 812 O LYS B 20 2.253 14.518 -18.256 1.00 0.00 O ATOM 813 CB LYS B 20 2.733 12.182 -16.181 1.00 0.00 C ATOM 814 CG LYS B 20 2.600 11.776 -14.711 1.00 0.00 C ATOM 815 CD LYS B 20 2.901 12.982 -13.818 1.00 0.00 C ATOM 816 CE LYS B 20 4.026 12.627 -12.844 1.00 0.00 C ATOM 817 NZ LYS B 20 3.405 12.717 -11.492 1.00 0.00 N ATOM 0 H LYS B 20 0.689 12.663 -18.572 1.00 0.00 H new ATOM 0 HA LYS B 20 0.785 13.088 -15.787 1.00 0.00 H new ATOM 0 HB2 LYS B 20 2.862 11.297 -16.804 1.00 0.00 H new ATOM 0 HB3 LYS B 20 3.619 12.801 -16.320 1.00 0.00 H new ATOM 0 HG2 LYS B 20 1.593 11.407 -14.514 1.00 0.00 H new ATOM 0 HG3 LYS B 20 3.288 10.962 -14.484 1.00 0.00 H new ATOM 0 HD2 LYS B 20 3.191 13.837 -14.429 1.00 0.00 H new ATOM 0 HD3 LYS B 20 2.006 13.272 -13.267 1.00 0.00 H new ATOM 0 HE2 LYS B 20 4.413 11.626 -13.035 1.00 0.00 H new ATOM 0 HE3 LYS B 20 4.864 13.317 -12.940 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 4.115 12.487 -10.768 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 3.052 13.683 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 2.614 12.044 -11.428 1.00 0.00 H new ATOM 831 N ALA B 21 1.740 15.342 -16.287 1.00 0.00 N ATOM 832 CA ALA B 21 2.091 16.724 -16.723 1.00 0.00 C ATOM 833 C ALA B 21 2.109 17.671 -15.519 1.00 0.00 C ATOM 834 O ALA B 21 1.074 18.014 -14.983 1.00 0.00 O ATOM 835 CB ALA B 21 0.986 17.122 -17.701 1.00 0.00 C ATOM 0 H ALA B 21 1.415 15.260 -15.324 1.00 0.00 H new ATOM 0 HA ALA B 21 3.079 16.774 -17.181 1.00 0.00 H new ATOM 0 HB1 ALA B 21 1.172 18.131 -18.069 1.00 0.00 H new ATOM 0 HB2 ALA B 21 0.975 16.426 -18.540 1.00 0.00 H new ATOM 0 HB3 ALA B 21 0.022 17.093 -17.193 1.00 0.00 H new ATOM 841 N PRO B 22 3.294 18.060 -15.134 1.00 0.00 N ATOM 842 CA PRO B 22 3.458 18.978 -13.981 1.00 0.00 C ATOM 843 C PRO B 22 3.023 20.396 -14.360 1.00 0.00 C ATOM 844 O PRO B 22 2.459 20.622 -15.413 1.00 0.00 O ATOM 845 CB PRO B 22 4.956 18.926 -13.694 1.00 0.00 C ATOM 846 CG PRO B 22 5.586 18.528 -14.991 1.00 0.00 C ATOM 847 CD PRO B 22 4.580 17.685 -15.732 1.00 0.00 C ATOM 0 HA PRO B 22 2.853 18.697 -13.119 1.00 0.00 H new ATOM 0 HB2 PRO B 22 5.327 19.894 -13.356 1.00 0.00 H new ATOM 0 HB3 PRO B 22 5.182 18.206 -12.908 1.00 0.00 H new ATOM 0 HG2 PRO B 22 5.855 19.408 -15.575 1.00 0.00 H new ATOM 0 HG3 PRO B 22 6.505 17.968 -14.817 1.00 0.00 H new ATOM 0 HD2 PRO B 22 4.598 17.891 -16.802 1.00 0.00 H new ATOM 0 HD3 PRO B 22 4.783 16.621 -15.609 1.00 0.00 H new ATOM 855 N THR B 23 3.282 21.353 -13.510 1.00 0.00 N ATOM 856 CA THR B 23 2.888 22.755 -13.819 1.00 0.00 C ATOM 857 C THR B 23 3.260 23.675 -12.654 1.00 0.00 C ATOM 858 O THR B 23 4.291 23.520 -12.031 1.00 0.00 O ATOM 859 CB THR B 23 1.370 22.711 -14.008 1.00 0.00 C ATOM 860 OG1 THR B 23 0.870 24.036 -14.119 1.00 0.00 O ATOM 861 CG2 THR B 23 0.724 22.019 -12.807 1.00 0.00 C ATOM 0 H THR B 23 3.751 21.223 -12.613 1.00 0.00 H new ATOM 0 HA THR B 23 3.395 23.141 -14.703 1.00 0.00 H new ATOM 0 HB THR B 23 1.132 22.155 -14.915 1.00 0.00 H new ATOM 0 HG1 THR B 23 -0.102 24.010 -14.242 1.00 0.00 H new ATOM 0 HG21 THR B 23 -0.357 21.988 -12.943 1.00 0.00 H new ATOM 0 HG22 THR B 23 1.108 21.002 -12.723 1.00 0.00 H new ATOM 0 HG23 THR B 23 0.960 22.572 -11.898 1.00 0.00 H new ATOM 869 N ASN B 24 2.428 24.636 -12.355 1.00 0.00 N ATOM 870 CA ASN B 24 2.736 25.565 -11.230 1.00 0.00 C ATOM 871 C ASN B 24 3.277 24.783 -10.030 1.00 0.00 C ATOM 872 O ASN B 24 2.698 23.803 -9.604 1.00 0.00 O ATOM 873 CB ASN B 24 1.399 26.224 -10.883 1.00 0.00 C ATOM 874 CG ASN B 24 1.636 27.683 -10.493 1.00 0.00 C ATOM 875 OD1 ASN B 24 2.754 28.082 -10.231 1.00 0.00 O ATOM 876 ND2 ASN B 24 0.622 28.504 -10.441 1.00 0.00 N ATOM 0 H ASN B 24 1.550 24.818 -12.840 1.00 0.00 H new ATOM 0 HA ASN B 24 3.495 26.300 -11.498 1.00 0.00 H new ATOM 0 HB2 ASN B 24 0.722 26.170 -11.736 1.00 0.00 H new ATOM 0 HB3 ASN B 24 0.920 25.690 -10.062 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.768 29.479 -10.181 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -0.316 28.170 -10.661 1.00 0.00 H new ATOM 883 N GLU B 25 4.382 25.207 -9.483 1.00 0.00 N ATOM 884 CA GLU B 25 4.959 24.487 -8.311 1.00 0.00 C ATOM 885 C GLU B 25 5.767 25.453 -7.441 1.00 0.00 C ATOM 886 O GLU B 25 6.627 25.052 -6.683 1.00 0.00 O ATOM 887 CB GLU B 25 5.871 23.417 -8.914 1.00 0.00 C ATOM 888 CG GLU B 25 5.220 22.042 -8.755 1.00 0.00 C ATOM 889 CD GLU B 25 6.181 21.104 -8.020 1.00 0.00 C ATOM 890 OE1 GLU B 25 7.302 20.962 -8.477 1.00 0.00 O ATOM 891 OE2 GLU B 25 5.777 20.544 -7.015 1.00 0.00 O ATOM 0 H GLU B 25 4.911 26.021 -9.796 1.00 0.00 H new ATOM 0 HA GLU B 25 4.189 24.054 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU B 25 6.048 23.627 -9.969 1.00 0.00 H new ATOM 0 HB3 GLU B 25 6.842 23.431 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU B 25 4.287 22.132 -8.199 1.00 0.00 H new ATOM 0 HG3 GLU B 25 4.970 21.631 -9.733 1.00 0.00 H new ATOM 898 N PHE B 26 5.497 26.726 -7.544 1.00 0.00 N ATOM 899 CA PHE B 26 6.249 27.717 -6.722 1.00 0.00 C ATOM 900 C PHE B 26 6.385 27.215 -5.281 1.00 0.00 C ATOM 901 O PHE B 26 5.494 26.585 -4.746 1.00 0.00 O ATOM 902 CB PHE B 26 5.406 28.992 -6.768 1.00 0.00 C ATOM 903 CG PHE B 26 6.271 30.152 -7.200 1.00 0.00 C ATOM 904 CD1 PHE B 26 7.503 30.376 -6.575 1.00 0.00 C ATOM 905 CD2 PHE B 26 5.840 31.003 -8.225 1.00 0.00 C ATOM 906 CE1 PHE B 26 8.304 31.453 -6.976 1.00 0.00 C ATOM 907 CE2 PHE B 26 6.641 32.078 -8.625 1.00 0.00 C ATOM 908 CZ PHE B 26 7.874 32.303 -8.001 1.00 0.00 C ATOM 0 H PHE B 26 4.789 27.123 -8.161 1.00 0.00 H new ATOM 0 HA PHE B 26 7.259 27.883 -7.097 1.00 0.00 H new ATOM 0 HB2 PHE B 26 4.575 28.866 -7.462 1.00 0.00 H new ATOM 0 HB3 PHE B 26 4.975 29.191 -5.787 1.00 0.00 H new ATOM 0 HD1 PHE B 26 7.836 29.719 -5.785 1.00 0.00 H new ATOM 0 HD2 PHE B 26 4.889 30.830 -8.707 1.00 0.00 H new ATOM 0 HE1 PHE B 26 9.254 31.627 -6.494 1.00 0.00 H new ATOM 0 HE2 PHE B 26 6.308 32.734 -9.415 1.00 0.00 H new ATOM 0 HZ PHE B 26 8.493 33.132 -8.311 1.00 0.00 H new ATOM 918 N TYR B 27 7.493 27.488 -4.650 1.00 0.00 N ATOM 919 CA TYR B 27 7.685 27.027 -3.245 1.00 0.00 C ATOM 920 C TYR B 27 8.722 27.903 -2.536 1.00 0.00 C ATOM 921 O TYR B 27 8.590 28.216 -1.369 1.00 0.00 O ATOM 922 CB TYR B 27 8.190 25.590 -3.366 1.00 0.00 C ATOM 923 CG TYR B 27 7.181 24.646 -2.755 1.00 0.00 C ATOM 924 CD1 TYR B 27 7.183 24.420 -1.374 1.00 0.00 C ATOM 925 CD2 TYR B 27 6.245 24.000 -3.570 1.00 0.00 C ATOM 926 CE1 TYR B 27 6.247 23.546 -0.807 1.00 0.00 C ATOM 927 CE2 TYR B 27 5.309 23.126 -3.004 1.00 0.00 C ATOM 928 CZ TYR B 27 5.310 22.899 -1.622 1.00 0.00 C ATOM 929 OH TYR B 27 4.388 22.038 -1.063 1.00 0.00 O ATOM 0 H TYR B 27 8.274 28.010 -5.046 1.00 0.00 H new ATOM 0 HA TYR B 27 6.767 27.089 -2.661 1.00 0.00 H new ATOM 0 HB2 TYR B 27 8.351 25.337 -4.414 1.00 0.00 H new ATOM 0 HB3 TYR B 27 9.151 25.488 -2.862 1.00 0.00 H new ATOM 0 HD1 TYR B 27 7.906 24.919 -0.746 1.00 0.00 H new ATOM 0 HD2 TYR B 27 6.245 24.176 -4.636 1.00 0.00 H new ATOM 0 HE1 TYR B 27 6.248 23.371 0.259 1.00 0.00 H new ATOM 0 HE2 TYR B 27 4.587 22.627 -3.633 1.00 0.00 H new ATOM 0 HH TYR B 27 3.811 21.675 -1.767 1.00 0.00 H new ATOM 939 N ALA B 28 9.751 28.301 -3.232 1.00 0.00 N ATOM 940 CA ALA B 28 10.794 29.157 -2.598 1.00 0.00 C ATOM 941 C ALA B 28 11.258 30.239 -3.576 1.00 0.00 C ATOM 942 O ALA B 28 12.325 30.076 -4.146 1.00 0.00 O ATOM 943 CB ALA B 28 11.943 28.202 -2.269 1.00 0.00 C ATOM 944 OXT ALA B 28 10.539 31.210 -3.739 1.00 0.00 O ATOM 0 H ALA B 28 9.915 28.071 -4.212 1.00 0.00 H new ATOM 0 HA ALA B 28 10.424 29.670 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.754 28.757 -1.798 1.00 0.00 H new ATOM 0 HB2 ALA B 28 11.589 27.428 -1.588 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.306 27.739 -3.187 1.00 0.00 H new TER 950 ALA B 28