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 23 THR OG1 : rot -120:sc= 1.69! USER MOD Set 1.2: B 24 ASN : amide:sc= 0.949 K(o=2.6,f=-1!) USER MOD Set 2.1: A 23 THR OG1 : rot -120:sc= 1.35! USER MOD Set 2.2: A 24 ASN : amide:sc= 1.08 K(o=2.4,f=-1.2!) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.101) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 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 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0977) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot 180:sc= 0 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 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 4.891 -31.401 -23.027 1.00 0.00 N ATOM 2 CA ARG A 1 4.486 -30.194 -22.248 1.00 0.00 C ATOM 3 C ARG A 1 3.908 -30.609 -20.893 1.00 0.00 C ATOM 4 O ARG A 1 2.710 -30.735 -20.730 1.00 0.00 O ATOM 5 CB ARG A 1 3.417 -29.512 -23.103 1.00 0.00 C ATOM 6 CG ARG A 1 3.348 -28.027 -22.744 1.00 0.00 C ATOM 7 CD ARG A 1 4.561 -27.302 -23.331 1.00 0.00 C ATOM 8 NE ARG A 1 5.046 -26.416 -22.236 1.00 0.00 N ATOM 9 CZ ARG A 1 4.867 -25.125 -22.315 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.794 -24.648 -22.883 1.00 0.00 N ATOM 11 NH2 ARG A 1 5.762 -24.312 -21.824 1.00 0.00 N ATOM 0 H1 ARG A 1 5.282 -31.107 -23.945 1.00 0.00 H new ATOM 0 H2 ARG A 1 5.613 -31.930 -22.497 1.00 0.00 H new ATOM 0 H3 ARG A 1 4.061 -32.008 -23.183 1.00 0.00 H new ATOM 0 HA ARG A 1 5.327 -29.532 -22.044 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.652 -29.631 -24.161 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.448 -29.983 -22.937 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.428 -27.591 -23.132 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.327 -27.905 -21.661 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.332 -28.008 -23.639 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.287 -26.725 -24.214 1.00 0.00 H new ATOM 0 HE ARG A 1 5.517 -26.817 -21.425 1.00 0.00 H new ATOM 0 HH11 ARG A 1 3.094 -25.284 -23.266 1.00 0.00 H new ATOM 0 HH12 ARG A 1 3.655 -23.639 -22.944 1.00 0.00 H new ATOM 0 HH21 ARG A 1 6.601 -24.685 -21.379 1.00 0.00 H new ATOM 0 HH22 ARG A 1 5.623 -23.303 -21.885 1.00 0.00 H new ATOM 27 N MET A 2 4.750 -30.823 -19.918 1.00 0.00 N ATOM 28 CA MET A 2 4.246 -31.229 -18.574 1.00 0.00 C ATOM 29 C MET A 2 5.267 -30.862 -17.494 1.00 0.00 C ATOM 30 O MET A 2 5.848 -31.719 -16.856 1.00 0.00 O ATOM 31 CB MET A 2 4.075 -32.747 -18.657 1.00 0.00 C ATOM 32 CG MET A 2 2.944 -33.186 -17.725 1.00 0.00 C ATOM 33 SD MET A 2 2.451 -34.881 -18.131 1.00 0.00 S ATOM 34 CE MET A 2 0.674 -34.571 -18.278 1.00 0.00 C ATOM 0 H MET A 2 5.763 -30.734 -19.994 1.00 0.00 H new ATOM 0 HA MET A 2 3.314 -30.728 -18.313 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.851 -33.043 -19.682 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.004 -33.244 -18.378 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.271 -33.130 -16.687 1.00 0.00 H new ATOM 0 HG3 MET A 2 2.092 -32.514 -17.827 1.00 0.00 H new ATOM 0 HE1 MET A 2 0.162 -35.500 -18.529 1.00 0.00 H new ATOM 0 HE2 MET A 2 0.291 -34.191 -17.331 1.00 0.00 H new ATOM 0 HE3 MET A 2 0.497 -33.835 -19.063 1.00 0.00 H new ATOM 44 N LYS A 3 5.491 -29.594 -17.282 1.00 0.00 N ATOM 45 CA LYS A 3 6.473 -29.173 -16.243 1.00 0.00 C ATOM 46 C LYS A 3 5.912 -28.003 -15.428 1.00 0.00 C ATOM 47 O LYS A 3 6.620 -27.078 -15.085 1.00 0.00 O ATOM 48 CB LYS A 3 7.712 -28.734 -17.024 1.00 0.00 C ATOM 49 CG LYS A 3 8.242 -29.911 -17.845 1.00 0.00 C ATOM 50 CD LYS A 3 9.738 -29.721 -18.105 1.00 0.00 C ATOM 51 CE LYS A 3 10.198 -30.705 -19.182 1.00 0.00 C ATOM 52 NZ LYS A 3 9.849 -30.053 -20.475 1.00 0.00 N ATOM 0 H LYS A 3 5.036 -28.831 -17.784 1.00 0.00 H new ATOM 0 HA LYS A 3 6.697 -29.974 -15.538 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.464 -27.901 -17.682 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.481 -28.380 -16.337 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.071 -30.846 -17.312 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.704 -29.980 -18.790 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.935 -28.698 -18.424 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.301 -29.882 -17.186 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.269 -30.894 -19.112 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.697 -31.667 -19.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.483 -30.767 -21.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.122 -29.327 -20.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.698 -29.609 -20.880 1.00 0.00 H new ATOM 66 N LYS A 4 4.646 -28.040 -15.117 1.00 0.00 N ATOM 67 CA LYS A 4 4.041 -26.929 -14.325 1.00 0.00 C ATOM 68 C LYS A 4 3.115 -27.494 -13.245 1.00 0.00 C ATOM 69 O LYS A 4 1.955 -27.763 -13.486 1.00 0.00 O ATOM 70 CB LYS A 4 3.244 -26.109 -15.340 1.00 0.00 C ATOM 71 CG LYS A 4 4.207 -25.329 -16.236 1.00 0.00 C ATOM 72 CD LYS A 4 3.420 -24.335 -17.092 1.00 0.00 C ATOM 73 CE LYS A 4 3.243 -23.024 -16.322 1.00 0.00 C ATOM 74 NZ LYS A 4 2.973 -21.997 -17.366 1.00 0.00 N ATOM 0 H LYS A 4 4.004 -28.789 -15.376 1.00 0.00 H new ATOM 0 HA LYS A 4 4.793 -26.327 -13.815 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.620 -26.767 -15.945 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.575 -25.422 -14.823 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.939 -24.799 -15.626 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.762 -26.016 -16.875 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.945 -24.150 -18.029 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.446 -24.752 -17.349 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.419 -23.091 -15.612 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.137 -22.779 -15.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.840 -21.070 -16.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.778 -21.950 -18.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.112 -22.253 -17.890 1.00 0.00 H new ATOM 88 N LYS A 5 3.620 -27.674 -12.054 1.00 0.00 N ATOM 89 CA LYS A 5 2.767 -28.222 -10.959 1.00 0.00 C ATOM 90 C LYS A 5 2.735 -27.248 -9.779 1.00 0.00 C ATOM 91 O LYS A 5 3.045 -27.602 -8.658 1.00 0.00 O ATOM 92 CB LYS A 5 3.438 -29.533 -10.553 1.00 0.00 C ATOM 93 CG LYS A 5 2.389 -30.488 -9.979 1.00 0.00 C ATOM 94 CD LYS A 5 2.052 -31.559 -11.018 1.00 0.00 C ATOM 95 CE LYS A 5 1.424 -32.768 -10.320 1.00 0.00 C ATOM 96 NZ LYS A 5 1.394 -33.837 -11.358 1.00 0.00 N ATOM 0 H LYS A 5 4.584 -27.466 -11.792 1.00 0.00 H new ATOM 0 HA LYS A 5 1.735 -28.374 -11.275 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.925 -29.987 -11.416 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.215 -29.342 -9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.766 -30.955 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.490 -29.936 -9.705 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.363 -31.156 -11.761 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.954 -31.861 -11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.012 -33.074 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.421 -32.539 -9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.976 -34.700 -10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.822 -33.520 -12.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.363 -34.038 -11.677 1.00 0.00 H new ATOM 110 N ASP A 6 2.361 -26.021 -10.020 1.00 0.00 N ATOM 111 CA ASP A 6 2.309 -25.024 -8.912 1.00 0.00 C ATOM 112 C ASP A 6 1.354 -23.883 -9.273 1.00 0.00 C ATOM 113 O ASP A 6 0.313 -23.718 -8.670 1.00 0.00 O ATOM 114 CB ASP A 6 3.741 -24.505 -8.779 1.00 0.00 C ATOM 115 CG ASP A 6 4.114 -24.412 -7.299 1.00 0.00 C ATOM 116 OD1 ASP A 6 4.042 -25.425 -6.625 1.00 0.00 O ATOM 117 OD2 ASP A 6 4.467 -23.326 -6.864 1.00 0.00 O ATOM 0 H ASP A 6 2.089 -25.665 -10.936 1.00 0.00 H new ATOM 0 HA ASP A 6 1.946 -25.459 -7.981 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.430 -25.171 -9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.829 -23.526 -9.250 1.00 0.00 H new ATOM 122 N GLU A 7 1.701 -23.094 -10.254 1.00 0.00 N ATOM 123 CA GLU A 7 0.813 -21.966 -10.652 1.00 0.00 C ATOM 124 C GLU A 7 0.073 -22.308 -11.948 1.00 0.00 C ATOM 125 O GLU A 7 0.670 -22.699 -12.931 1.00 0.00 O ATOM 126 CB GLU A 7 1.751 -20.778 -10.869 1.00 0.00 C ATOM 127 CG GLU A 7 2.054 -20.114 -9.524 1.00 0.00 C ATOM 128 CD GLU A 7 3.001 -18.932 -9.740 1.00 0.00 C ATOM 129 OE1 GLU A 7 3.553 -18.830 -10.823 1.00 0.00 O ATOM 130 OE2 GLU A 7 3.158 -18.149 -8.818 1.00 0.00 O ATOM 0 H GLU A 7 2.560 -23.182 -10.796 1.00 0.00 H new ATOM 0 HA GLU A 7 0.054 -21.753 -9.899 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.676 -21.113 -11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.292 -20.058 -11.547 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.129 -19.773 -9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.506 -20.836 -8.844 1.00 0.00 H new ATOM 137 N GLY A 8 -1.225 -22.163 -11.958 1.00 0.00 N ATOM 138 CA GLY A 8 -2.000 -22.480 -13.190 1.00 0.00 C ATOM 139 C GLY A 8 -2.160 -21.216 -14.036 1.00 0.00 C ATOM 140 O GLY A 8 -2.009 -21.241 -15.241 1.00 0.00 O ATOM 0 H GLY A 8 -1.781 -21.839 -11.167 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.488 -23.252 -13.765 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.979 -22.877 -12.923 1.00 0.00 H new ATOM 144 N SER A 9 -2.466 -20.110 -13.415 1.00 0.00 N ATOM 145 CA SER A 9 -2.635 -18.845 -14.185 1.00 0.00 C ATOM 146 C SER A 9 -2.124 -17.655 -13.370 1.00 0.00 C ATOM 147 O SER A 9 -1.722 -17.797 -12.231 1.00 0.00 O ATOM 148 CB SER A 9 -4.139 -18.724 -14.425 1.00 0.00 C ATOM 149 OG SER A 9 -4.795 -18.484 -13.186 1.00 0.00 O ATOM 0 H SER A 9 -2.606 -20.027 -12.408 1.00 0.00 H new ATOM 0 HA SER A 9 -2.073 -18.854 -15.119 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.343 -17.911 -15.121 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.521 -19.638 -14.881 1.00 0.00 H new ATOM 0 HG SER A 9 -5.760 -18.404 -13.337 1.00 0.00 H new ATOM 155 N TYR A 10 -2.136 -16.483 -13.943 1.00 0.00 N ATOM 156 CA TYR A 10 -1.651 -15.284 -13.200 1.00 0.00 C ATOM 157 C TYR A 10 -2.686 -14.158 -13.280 1.00 0.00 C ATOM 158 O TYR A 10 -3.601 -14.199 -14.078 1.00 0.00 O ATOM 159 CB TYR A 10 -0.360 -14.876 -13.911 1.00 0.00 C ATOM 160 CG TYR A 10 0.679 -14.490 -12.887 1.00 0.00 C ATOM 161 CD1 TYR A 10 0.936 -15.333 -11.796 1.00 0.00 C ATOM 162 CD2 TYR A 10 1.387 -13.288 -13.025 1.00 0.00 C ATOM 163 CE1 TYR A 10 1.902 -14.974 -10.846 1.00 0.00 C ATOM 164 CE2 TYR A 10 2.351 -12.929 -12.074 1.00 0.00 C ATOM 165 CZ TYR A 10 2.609 -13.772 -10.984 1.00 0.00 C ATOM 166 OH TYR A 10 3.559 -13.418 -10.049 1.00 0.00 O ATOM 0 H TYR A 10 -2.460 -16.303 -14.893 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.488 -15.490 -12.142 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.006 -15.700 -14.523 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.551 -14.040 -14.583 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.390 -16.258 -11.688 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.189 -12.638 -13.865 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.102 -15.624 -10.007 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.896 -12.002 -12.181 1.00 0.00 H new ATOM 0 HH TYR A 10 3.955 -12.556 -10.295 1.00 0.00 H new ATOM 176 N ASP A 11 -2.546 -13.153 -12.460 1.00 0.00 N ATOM 177 CA ASP A 11 -3.521 -12.025 -12.490 1.00 0.00 C ATOM 178 C ASP A 11 -2.777 -10.689 -12.533 1.00 0.00 C ATOM 179 O ASP A 11 -2.727 -9.963 -11.559 1.00 0.00 O ATOM 180 CB ASP A 11 -4.319 -12.155 -11.193 1.00 0.00 C ATOM 181 CG ASP A 11 -5.619 -12.912 -11.467 1.00 0.00 C ATOM 182 OD1 ASP A 11 -5.585 -13.844 -12.254 1.00 0.00 O ATOM 183 OD2 ASP A 11 -6.628 -12.546 -10.886 1.00 0.00 O ATOM 0 H ASP A 11 -1.799 -13.064 -11.771 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.166 -12.058 -13.368 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.730 -12.682 -10.443 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.539 -11.167 -10.789 1.00 0.00 H new ATOM 188 N LEU A 12 -2.195 -10.359 -13.653 1.00 0.00 N ATOM 189 CA LEU A 12 -1.454 -9.074 -13.758 1.00 0.00 C ATOM 190 C LEU A 12 -1.099 -8.787 -15.220 1.00 0.00 C ATOM 191 O LEU A 12 -0.791 -9.682 -15.982 1.00 0.00 O ATOM 192 CB LEU A 12 -0.188 -9.284 -12.929 1.00 0.00 C ATOM 193 CG LEU A 12 0.696 -8.040 -13.019 1.00 0.00 C ATOM 194 CD1 LEU A 12 1.549 -7.925 -11.754 1.00 0.00 C ATOM 195 CD2 LEU A 12 1.612 -8.153 -14.241 1.00 0.00 C ATOM 0 H LEU A 12 -2.202 -10.926 -14.501 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.039 -8.226 -13.403 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.450 -9.482 -11.890 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.356 -10.156 -13.292 1.00 0.00 H new ATOM 0 HG LEU A 12 0.067 -7.155 -13.115 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.179 -7.038 -11.819 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.899 -7.845 -10.883 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.178 -8.810 -11.658 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.243 -7.266 -14.306 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.240 -9.039 -14.144 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.006 -8.234 -15.144 1.00 0.00 H new ATOM 207 N GLY A 13 -1.138 -7.544 -15.617 1.00 0.00 N ATOM 208 CA GLY A 13 -0.803 -7.202 -17.028 1.00 0.00 C ATOM 209 C GLY A 13 -0.570 -5.696 -17.149 1.00 0.00 C ATOM 210 O GLY A 13 0.414 -5.253 -17.706 1.00 0.00 O ATOM 0 H GLY A 13 -1.387 -6.751 -15.025 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.089 -7.745 -17.343 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.613 -7.509 -17.689 1.00 0.00 H new ATOM 214 N LYS A 14 -1.469 -4.904 -16.633 1.00 0.00 N ATOM 215 CA LYS A 14 -1.298 -3.426 -16.721 1.00 0.00 C ATOM 216 C LYS A 14 -0.924 -2.852 -15.352 1.00 0.00 C ATOM 217 O LYS A 14 -1.070 -3.501 -14.335 1.00 0.00 O ATOM 218 CB LYS A 14 -2.661 -2.895 -17.169 1.00 0.00 C ATOM 219 CG LYS A 14 -2.713 -2.849 -18.697 1.00 0.00 C ATOM 220 CD LYS A 14 -4.172 -2.878 -19.159 1.00 0.00 C ATOM 221 CE LYS A 14 -4.517 -1.555 -19.846 1.00 0.00 C ATOM 222 NZ LYS A 14 -5.997 -1.437 -19.729 1.00 0.00 N ATOM 0 H LYS A 14 -2.314 -5.216 -16.155 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.503 -3.144 -17.411 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.456 -3.535 -16.787 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.828 -1.899 -16.759 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.223 -1.946 -19.061 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.171 -3.697 -19.116 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.330 -3.709 -19.846 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.831 -3.040 -18.306 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.014 -0.717 -19.364 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.202 -1.558 -20.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.311 -0.553 -20.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.448 -2.245 -20.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.266 -1.430 -18.725 1.00 0.00 H new ATOM 236 N LYS A 15 -0.447 -1.639 -15.320 1.00 0.00 N ATOM 237 CA LYS A 15 -0.066 -1.019 -14.019 1.00 0.00 C ATOM 238 C LYS A 15 -0.638 0.398 -13.925 1.00 0.00 C ATOM 239 O LYS A 15 -0.951 1.009 -14.927 1.00 0.00 O ATOM 240 CB LYS A 15 1.463 -0.981 -14.029 1.00 0.00 C ATOM 241 CG LYS A 15 2.007 -2.390 -14.267 1.00 0.00 C ATOM 242 CD LYS A 15 2.397 -2.545 -15.738 1.00 0.00 C ATOM 243 CE LYS A 15 3.872 -2.941 -15.837 1.00 0.00 C ATOM 244 NZ LYS A 15 3.891 -4.127 -16.737 1.00 0.00 N ATOM 0 H LYS A 15 -0.304 -1.049 -16.140 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.452 -1.577 -13.166 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.815 -0.307 -14.810 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.834 -0.592 -13.081 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.873 -2.569 -13.629 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.255 -3.132 -13.999 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.774 -3.303 -16.212 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.224 -1.610 -16.271 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.473 -2.127 -16.243 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.283 -3.182 -14.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.870 -4.458 -16.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.316 -4.887 -16.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.500 -3.865 -17.665 1.00 0.00 H new ATOM 258 N PRO A 16 -0.755 0.872 -12.716 1.00 0.00 N ATOM 259 CA PRO A 16 -1.296 2.231 -12.481 1.00 0.00 C ATOM 260 C PRO A 16 -0.277 3.298 -12.893 1.00 0.00 C ATOM 261 O PRO A 16 0.908 3.041 -12.984 1.00 0.00 O ATOM 262 CB PRO A 16 -1.538 2.265 -10.975 1.00 0.00 C ATOM 263 CG PRO A 16 -0.597 1.250 -10.409 1.00 0.00 C ATOM 264 CD PRO A 16 -0.398 0.193 -11.466 1.00 0.00 C ATOM 0 HA PRO A 16 -2.197 2.436 -13.059 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.342 3.256 -10.566 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.573 2.020 -10.736 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.354 1.712 -10.142 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.005 0.812 -9.498 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.632 -0.164 -11.485 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.033 -0.675 -11.287 1.00 0.00 H new ATOM 272 N ILE A 17 -0.733 4.496 -13.133 1.00 0.00 N ATOM 273 CA ILE A 17 0.188 5.589 -13.530 1.00 0.00 C ATOM 274 C ILE A 17 -0.437 6.939 -13.176 1.00 0.00 C ATOM 275 O ILE A 17 -0.569 7.809 -14.010 1.00 0.00 O ATOM 276 CB ILE A 17 0.354 5.453 -15.042 1.00 0.00 C ATOM 277 CG1 ILE A 17 -1.008 5.206 -15.692 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.289 4.284 -15.356 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.886 5.376 -17.208 1.00 0.00 C ATOM 0 H ILE A 17 -1.715 4.764 -13.069 1.00 0.00 H new ATOM 0 HA ILE A 17 1.148 5.530 -13.018 1.00 0.00 H new ATOM 0 HB ILE A 17 0.781 6.374 -15.438 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.360 4.202 -15.455 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.745 5.904 -15.295 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.405 4.190 -16.436 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.263 4.465 -14.901 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.867 3.363 -14.955 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.856 5.200 -17.673 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.553 6.389 -17.435 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.162 4.660 -17.597 1.00 0.00 H new ATOM 291 N TYR A 18 -0.829 7.113 -11.947 1.00 0.00 N ATOM 292 CA TYR A 18 -1.456 8.401 -11.540 1.00 0.00 C ATOM 293 C TYR A 18 -0.378 9.433 -11.193 1.00 0.00 C ATOM 294 O TYR A 18 0.282 9.336 -10.177 1.00 0.00 O ATOM 295 CB TYR A 18 -2.284 8.055 -10.303 1.00 0.00 C ATOM 296 CG TYR A 18 -3.341 9.109 -10.094 1.00 0.00 C ATOM 297 CD1 TYR A 18 -3.013 10.314 -9.460 1.00 0.00 C ATOM 298 CD2 TYR A 18 -4.652 8.882 -10.531 1.00 0.00 C ATOM 299 CE1 TYR A 18 -3.995 11.292 -9.264 1.00 0.00 C ATOM 300 CE2 TYR A 18 -5.635 9.859 -10.336 1.00 0.00 C ATOM 301 CZ TYR A 18 -5.307 11.066 -9.703 1.00 0.00 C ATOM 302 OH TYR A 18 -6.276 12.030 -9.509 1.00 0.00 O ATOM 0 H TYR A 18 -0.743 6.419 -11.205 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.063 8.836 -12.334 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.750 7.077 -10.426 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.639 7.993 -9.426 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.002 10.489 -9.122 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.905 7.952 -11.019 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.742 12.221 -8.775 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.646 9.683 -10.673 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.129 11.714 -9.873 1.00 0.00 H new ATOM 312 N LYS A 19 -0.197 10.423 -12.025 1.00 0.00 N ATOM 313 CA LYS A 19 0.836 11.459 -11.733 1.00 0.00 C ATOM 314 C LYS A 19 0.771 12.583 -12.772 1.00 0.00 C ATOM 315 O LYS A 19 1.763 13.209 -13.089 1.00 0.00 O ATOM 316 CB LYS A 19 2.176 10.725 -11.818 1.00 0.00 C ATOM 317 CG LYS A 19 2.385 10.197 -13.238 1.00 0.00 C ATOM 318 CD LYS A 19 3.659 9.351 -13.286 1.00 0.00 C ATOM 319 CE LYS A 19 3.287 7.867 -13.313 1.00 0.00 C ATOM 320 NZ LYS A 19 4.549 7.159 -13.665 1.00 0.00 N ATOM 0 H LYS A 19 -0.718 10.559 -12.891 1.00 0.00 H new ATOM 0 HA LYS A 19 0.688 11.921 -10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.989 11.399 -11.547 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.195 9.900 -11.106 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.527 9.599 -13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.461 11.028 -13.939 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.244 9.606 -14.170 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.283 9.565 -12.418 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.907 7.538 -12.346 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.506 7.669 -14.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.373 6.135 -13.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.884 7.487 -14.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.272 7.360 -12.945 1.00 0.00 H new ATOM 334 N LYS A 20 -0.392 12.845 -13.301 1.00 0.00 N ATOM 335 CA LYS A 20 -0.524 13.931 -14.315 1.00 0.00 C ATOM 336 C LYS A 20 0.091 15.228 -13.784 1.00 0.00 C ATOM 337 O LYS A 20 0.015 15.525 -12.608 1.00 0.00 O ATOM 338 CB LYS A 20 -2.031 14.094 -14.524 1.00 0.00 C ATOM 339 CG LYS A 20 -2.287 15.000 -15.730 1.00 0.00 C ATOM 340 CD LYS A 20 -3.143 14.257 -16.756 1.00 0.00 C ATOM 341 CE LYS A 20 -2.829 14.781 -18.160 1.00 0.00 C ATOM 342 NZ LYS A 20 -3.826 15.861 -18.399 1.00 0.00 N ATOM 0 H LYS A 20 -1.257 12.354 -13.076 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.007 13.695 -15.245 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.494 13.120 -14.683 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.488 14.522 -13.632 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.792 15.912 -15.412 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.341 15.300 -16.180 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.945 13.186 -16.703 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.201 14.397 -16.532 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.810 15.164 -18.220 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.917 13.991 -18.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.675 16.270 -19.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.786 15.466 -18.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.714 16.603 -17.678 1.00 0.00 H new ATOM 356 N ALA A 21 0.701 16.002 -14.640 1.00 0.00 N ATOM 357 CA ALA A 21 1.322 17.276 -14.178 1.00 0.00 C ATOM 358 C ALA A 21 1.325 18.308 -15.309 1.00 0.00 C ATOM 359 O ALA A 21 2.370 18.693 -15.795 1.00 0.00 O ATOM 360 CB ALA A 21 2.752 16.901 -13.791 1.00 0.00 C ATOM 0 H ALA A 21 0.796 15.808 -15.637 1.00 0.00 H new ATOM 0 HA ALA A 21 0.777 17.722 -13.346 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.278 17.788 -13.439 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.730 16.153 -12.998 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.269 16.493 -14.660 1.00 0.00 H new ATOM 366 N PRO A 22 0.148 18.726 -15.685 1.00 0.00 N ATOM 367 CA PRO A 22 0.005 19.730 -16.767 1.00 0.00 C ATOM 368 C PRO A 22 0.426 21.113 -16.265 1.00 0.00 C ATOM 369 O PRO A 22 1.582 21.483 -16.330 1.00 0.00 O ATOM 370 CB PRO A 22 -1.487 19.693 -17.094 1.00 0.00 C ATOM 371 CG PRO A 22 -2.145 19.193 -15.847 1.00 0.00 C ATOM 372 CD PRO A 22 -1.149 18.305 -15.145 1.00 0.00 C ATOM 0 HA PRO A 22 0.628 19.521 -17.636 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.856 20.682 -17.366 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.690 19.034 -17.938 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.438 20.025 -15.206 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.053 18.639 -16.086 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.192 18.435 -14.064 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.342 17.251 -15.347 1.00 0.00 H new ATOM 380 N THR A 23 -0.502 21.877 -15.764 1.00 0.00 N ATOM 381 CA THR A 23 -0.161 23.235 -15.253 1.00 0.00 C ATOM 382 C THR A 23 -1.319 23.788 -14.418 1.00 0.00 C ATOM 383 O THR A 23 -2.107 23.046 -13.867 1.00 0.00 O ATOM 384 CB THR A 23 0.056 24.088 -16.503 1.00 0.00 C ATOM 385 OG1 THR A 23 0.276 25.439 -16.119 1.00 0.00 O ATOM 386 CG2 THR A 23 -1.180 24.007 -17.401 1.00 0.00 C ATOM 0 H THR A 23 -1.486 21.620 -15.685 1.00 0.00 H new ATOM 0 HA THR A 23 0.720 23.227 -14.611 1.00 0.00 H new ATOM 0 HB THR A 23 0.923 23.718 -17.049 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.414 26.009 -16.519 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.023 24.616 -18.291 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.349 22.971 -17.695 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.050 24.376 -16.857 1.00 0.00 H new ATOM 394 N ASN A 24 -1.428 25.084 -14.322 1.00 0.00 N ATOM 395 CA ASN A 24 -2.537 25.680 -13.522 1.00 0.00 C ATOM 396 C ASN A 24 -3.872 25.043 -13.917 1.00 0.00 C ATOM 397 O ASN A 24 -3.946 24.255 -14.837 1.00 0.00 O ATOM 398 CB ASN A 24 -2.526 27.168 -13.875 1.00 0.00 C ATOM 399 CG ASN A 24 -2.673 27.337 -15.388 1.00 0.00 C ATOM 400 OD1 ASN A 24 -1.742 27.099 -16.131 1.00 0.00 O ATOM 401 ND2 ASN A 24 -3.813 27.740 -15.878 1.00 0.00 N ATOM 0 H ASN A 24 -0.799 25.756 -14.762 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.410 25.516 -12.452 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.339 27.680 -13.361 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.597 27.626 -13.536 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.923 27.855 -16.885 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.594 27.940 -15.254 1.00 0.00 H new ATOM 408 N GLU A 25 -4.928 25.379 -13.226 1.00 0.00 N ATOM 409 CA GLU A 25 -6.257 24.791 -13.563 1.00 0.00 C ATOM 410 C GLU A 25 -7.313 25.895 -13.672 1.00 0.00 C ATOM 411 O GLU A 25 -8.135 26.069 -12.796 1.00 0.00 O ATOM 412 CB GLU A 25 -6.581 23.853 -12.399 1.00 0.00 C ATOM 413 CG GLU A 25 -6.743 22.425 -12.923 1.00 0.00 C ATOM 414 CD GLU A 25 -8.112 22.277 -13.590 1.00 0.00 C ATOM 415 OE1 GLU A 25 -9.015 23.008 -13.214 1.00 0.00 O ATOM 416 OE2 GLU A 25 -8.235 21.435 -14.464 1.00 0.00 O ATOM 0 H GLU A 25 -4.928 26.034 -12.444 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.246 24.267 -14.519 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.785 23.891 -11.656 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.496 24.175 -11.902 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.952 22.197 -13.638 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.647 21.713 -12.103 1.00 0.00 H new ATOM 423 N PHE A 26 -7.295 26.641 -14.743 1.00 0.00 N ATOM 424 CA PHE A 26 -8.299 27.732 -14.905 1.00 0.00 C ATOM 425 C PHE A 26 -9.717 27.172 -14.759 1.00 0.00 C ATOM 426 O PHE A 26 -10.176 26.399 -15.577 1.00 0.00 O ATOM 427 CB PHE A 26 -8.078 28.268 -16.320 1.00 0.00 C ATOM 428 CG PHE A 26 -8.745 29.616 -16.457 1.00 0.00 C ATOM 429 CD1 PHE A 26 -10.114 29.695 -16.743 1.00 0.00 C ATOM 430 CD2 PHE A 26 -7.994 30.788 -16.295 1.00 0.00 C ATOM 431 CE1 PHE A 26 -10.733 30.946 -16.868 1.00 0.00 C ATOM 432 CE2 PHE A 26 -8.613 32.039 -16.420 1.00 0.00 C ATOM 433 CZ PHE A 26 -9.982 32.119 -16.706 1.00 0.00 C ATOM 0 H PHE A 26 -6.631 26.543 -15.511 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.186 28.512 -14.152 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.011 28.356 -16.525 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.487 27.572 -17.052 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.693 28.792 -16.867 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.939 30.727 -16.074 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -11.788 31.007 -17.089 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.034 32.942 -16.296 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.459 33.083 -16.802 1.00 0.00 H new ATOM 443 N TYR A 27 -10.412 27.554 -13.723 1.00 0.00 N ATOM 444 CA TYR A 27 -11.799 27.043 -13.526 1.00 0.00 C ATOM 445 C TYR A 27 -12.638 28.071 -12.763 1.00 0.00 C ATOM 446 O TYR A 27 -12.674 28.078 -11.548 1.00 0.00 O ATOM 447 CB TYR A 27 -11.638 25.765 -12.702 1.00 0.00 C ATOM 448 CG TYR A 27 -12.822 24.858 -12.945 1.00 0.00 C ATOM 449 CD1 TYR A 27 -12.832 24.003 -14.054 1.00 0.00 C ATOM 450 CD2 TYR A 27 -13.909 24.873 -12.061 1.00 0.00 C ATOM 451 CE1 TYR A 27 -13.930 23.161 -14.279 1.00 0.00 C ATOM 452 CE2 TYR A 27 -15.007 24.032 -12.287 1.00 0.00 C ATOM 453 CZ TYR A 27 -15.018 23.177 -13.396 1.00 0.00 C ATOM 454 OH TYR A 27 -16.099 22.348 -13.618 1.00 0.00 O ATOM 0 H TYR A 27 -10.080 28.197 -13.005 1.00 0.00 H new ATOM 0 HA TYR A 27 -12.308 26.857 -14.472 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.714 25.256 -12.977 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.565 26.009 -11.642 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.994 23.992 -14.736 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.901 25.532 -11.206 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.937 22.500 -15.133 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.845 24.043 -11.606 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.765 22.483 -12.912 1.00 0.00 H new ATOM 464 N ALA A 28 -13.313 28.940 -13.464 1.00 0.00 N ATOM 465 CA ALA A 28 -14.148 29.966 -12.777 1.00 0.00 C ATOM 466 C ALA A 28 -15.401 30.268 -13.602 1.00 0.00 C ATOM 467 O ALA A 28 -15.981 31.323 -13.398 1.00 0.00 O ATOM 468 CB ALA A 28 -13.257 31.204 -12.680 1.00 0.00 C ATOM 469 OXT ALA A 28 -15.759 29.441 -14.424 1.00 0.00 O ATOM 0 H ALA A 28 -13.323 28.984 -14.483 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.488 29.632 -11.797 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.802 32.007 -12.184 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.362 30.964 -12.105 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.970 31.525 -13.681 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 -11.654 -32.074 -11.784 1.00 0.00 N ATOM 477 CA ARG B 1 -11.166 -30.764 -12.305 1.00 0.00 C ATOM 478 C ARG B 1 -10.573 -30.939 -13.705 1.00 0.00 C ATOM 479 O ARG B 1 -9.379 -31.097 -13.870 1.00 0.00 O ATOM 480 CB ARG B 1 -10.086 -30.324 -11.316 1.00 0.00 C ATOM 481 CG ARG B 1 -9.929 -28.803 -11.374 1.00 0.00 C ATOM 482 CD ARG B 1 -11.118 -28.139 -10.678 1.00 0.00 C ATOM 483 NE ARG B 1 -11.524 -27.031 -11.585 1.00 0.00 N ATOM 484 CZ ARG B 1 -11.281 -25.793 -11.252 1.00 0.00 C ATOM 485 NH1 ARG B 1 -10.201 -25.497 -10.583 1.00 0.00 N ATOM 486 NH2 ARG B 1 -12.119 -24.850 -11.589 1.00 0.00 N ATOM 0 H1 ARG B 1 -12.054 -31.942 -10.833 1.00 0.00 H new ATOM 0 H2 ARG B 1 -12.387 -32.449 -12.419 1.00 0.00 H new ATOM 0 H3 ARG B 1 -10.861 -32.745 -11.736 1.00 0.00 H new ATOM 0 HA ARG B 1 -11.966 -30.029 -12.390 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -10.355 -30.634 -10.306 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -9.139 -30.807 -11.557 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -8.999 -28.504 -10.891 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -9.870 -28.472 -12.411 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -11.934 -28.846 -10.529 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -10.839 -27.762 -9.694 1.00 0.00 H new ATOM 0 HE ARG B 1 -11.992 -27.239 -12.467 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -9.546 -26.233 -10.320 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -10.011 -24.529 -10.323 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -12.963 -25.081 -12.112 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -11.929 -23.882 -11.329 1.00 0.00 H new ATOM 502 N MET B 2 -11.397 -30.912 -14.717 1.00 0.00 N ATOM 503 CA MET B 2 -10.879 -31.077 -16.106 1.00 0.00 C ATOM 504 C MET B 2 -11.848 -30.447 -17.111 1.00 0.00 C ATOM 505 O MET B 2 -12.453 -31.129 -17.914 1.00 0.00 O ATOM 506 CB MET B 2 -10.792 -32.589 -16.319 1.00 0.00 C ATOM 507 CG MET B 2 -9.660 -32.902 -17.298 1.00 0.00 C ATOM 508 SD MET B 2 -9.270 -34.668 -17.226 1.00 0.00 S ATOM 509 CE MET B 2 -7.484 -34.495 -16.993 1.00 0.00 C ATOM 0 H MET B 2 -12.406 -30.783 -14.643 1.00 0.00 H new ATOM 0 HA MET B 2 -9.915 -30.589 -16.248 1.00 0.00 H new ATOM 0 HB2 MET B 2 -10.614 -33.091 -15.368 1.00 0.00 H new ATOM 0 HB3 MET B 2 -11.738 -32.967 -16.707 1.00 0.00 H new ATOM 0 HG2 MET B 2 -9.953 -32.625 -18.310 1.00 0.00 H new ATOM 0 HG3 MET B 2 -8.777 -32.313 -17.050 1.00 0.00 H new ATOM 0 HE1 MET B 2 -7.029 -35.483 -16.922 1.00 0.00 H new ATOM 0 HE2 MET B 2 -7.057 -33.959 -17.841 1.00 0.00 H new ATOM 0 HE3 MET B 2 -7.289 -33.939 -16.076 1.00 0.00 H new ATOM 519 N LYS B 3 -11.999 -29.152 -17.071 1.00 0.00 N ATOM 520 CA LYS B 3 -12.929 -28.481 -18.025 1.00 0.00 C ATOM 521 C LYS B 3 -12.285 -27.210 -18.585 1.00 0.00 C ATOM 522 O LYS B 3 -12.933 -26.197 -18.754 1.00 0.00 O ATOM 523 CB LYS B 3 -14.166 -28.134 -17.195 1.00 0.00 C ATOM 524 CG LYS B 3 -14.778 -29.417 -16.629 1.00 0.00 C ATOM 525 CD LYS B 3 -16.268 -29.196 -16.361 1.00 0.00 C ATOM 526 CE LYS B 3 -16.809 -30.343 -15.506 1.00 0.00 C ATOM 527 NZ LYS B 3 -16.461 -29.975 -14.106 1.00 0.00 N ATOM 0 H LYS B 3 -11.520 -28.529 -16.420 1.00 0.00 H new ATOM 0 HA LYS B 3 -13.175 -29.115 -18.877 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -13.895 -27.459 -16.383 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -14.897 -27.612 -17.813 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -14.642 -30.239 -17.332 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -14.270 -29.699 -15.707 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -16.419 -28.245 -15.850 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -16.814 -29.142 -17.303 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -17.886 -30.453 -15.629 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -16.357 -31.294 -15.789 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -16.168 -30.827 -13.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -15.681 -29.287 -14.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -17.291 -29.554 -13.641 1.00 0.00 H new ATOM 541 N LYS B 4 -11.013 -27.256 -18.876 1.00 0.00 N ATOM 542 CA LYS B 4 -10.330 -26.050 -19.425 1.00 0.00 C ATOM 543 C LYS B 4 -9.406 -26.444 -20.580 1.00 0.00 C ATOM 544 O LYS B 4 -8.269 -26.820 -20.377 1.00 0.00 O ATOM 545 CB LYS B 4 -9.520 -25.489 -18.257 1.00 0.00 C ATOM 546 CG LYS B 4 -10.466 -24.845 -17.242 1.00 0.00 C ATOM 547 CD LYS B 4 -9.649 -24.084 -16.195 1.00 0.00 C ATOM 548 CE LYS B 4 -9.384 -22.661 -16.690 1.00 0.00 C ATOM 549 NZ LYS B 4 -9.089 -21.875 -15.459 1.00 0.00 N ATOM 0 H LYS B 4 -10.418 -28.076 -18.757 1.00 0.00 H new ATOM 0 HA LYS B 4 -11.036 -25.319 -19.820 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -8.948 -26.286 -17.782 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -8.802 -24.753 -18.619 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -11.152 -24.165 -17.748 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -11.074 -25.610 -16.759 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -10.188 -24.056 -15.248 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.706 -24.598 -16.011 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.545 -22.635 -17.386 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -10.249 -22.259 -17.218 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -8.896 -20.886 -15.716 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -9.907 -21.913 -14.818 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -8.257 -22.277 -14.982 1.00 0.00 H new ATOM 563 N LYS B 5 -9.885 -26.362 -21.791 1.00 0.00 N ATOM 564 CA LYS B 5 -9.034 -26.733 -22.956 1.00 0.00 C ATOM 565 C LYS B 5 -8.916 -25.550 -23.922 1.00 0.00 C ATOM 566 O LYS B 5 -9.211 -25.663 -25.095 1.00 0.00 O ATOM 567 CB LYS B 5 -9.762 -27.900 -23.623 1.00 0.00 C ATOM 568 CG LYS B 5 -8.751 -28.782 -24.355 1.00 0.00 C ATOM 569 CD LYS B 5 -8.498 -30.053 -23.541 1.00 0.00 C ATOM 570 CE LYS B 5 -7.914 -31.136 -24.451 1.00 0.00 C ATOM 571 NZ LYS B 5 -7.970 -32.387 -23.644 1.00 0.00 N ATOM 0 H LYS B 5 -10.829 -26.054 -22.024 1.00 0.00 H new ATOM 0 HA LYS B 5 -8.021 -27.002 -22.659 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -10.295 -28.485 -22.874 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -10.507 -27.524 -24.324 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -9.127 -29.040 -25.345 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -7.817 -28.239 -24.501 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -7.810 -29.842 -22.722 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -9.429 -30.402 -23.094 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -8.491 -31.233 -25.370 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -6.890 -30.899 -24.741 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -7.586 -33.177 -24.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -7.406 -32.267 -22.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -8.957 -32.591 -23.388 1.00 0.00 H new ATOM 585 N ASP B 6 -8.486 -24.418 -23.438 1.00 0.00 N ATOM 586 CA ASP B 6 -8.351 -23.229 -24.329 1.00 0.00 C ATOM 587 C ASP B 6 -7.348 -22.236 -23.737 1.00 0.00 C ATOM 588 O ASP B 6 -6.283 -22.017 -24.279 1.00 0.00 O ATOM 589 CB ASP B 6 -9.749 -22.613 -24.381 1.00 0.00 C ATOM 590 CG ASP B 6 -10.077 -22.211 -25.821 1.00 0.00 C ATOM 591 OD1 ASP B 6 -10.041 -23.076 -26.680 1.00 0.00 O ATOM 592 OD2 ASP B 6 -10.360 -21.044 -26.038 1.00 0.00 O ATOM 0 H ASP B 6 -8.222 -24.264 -22.465 1.00 0.00 H new ATOM 0 HA ASP B 6 -7.986 -23.495 -25.321 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -10.486 -23.327 -24.015 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -9.798 -21.741 -23.729 1.00 0.00 H new ATOM 597 N GLU B 7 -7.680 -21.635 -22.627 1.00 0.00 N ATOM 598 CA GLU B 7 -6.744 -20.658 -22.000 1.00 0.00 C ATOM 599 C GLU B 7 -6.060 -21.288 -20.785 1.00 0.00 C ATOM 600 O GLU B 7 -6.704 -21.830 -19.910 1.00 0.00 O ATOM 601 CB GLU B 7 -7.626 -19.485 -21.571 1.00 0.00 C ATOM 602 CG GLU B 7 -7.856 -18.555 -22.764 1.00 0.00 C ATOM 603 CD GLU B 7 -8.745 -17.386 -22.335 1.00 0.00 C ATOM 604 OE1 GLU B 7 -9.320 -17.468 -21.262 1.00 0.00 O ATOM 605 OE2 GLU B 7 -8.835 -16.430 -23.088 1.00 0.00 O ATOM 0 H GLU B 7 -8.558 -21.778 -22.127 1.00 0.00 H new ATOM 0 HA GLU B 7 -5.954 -20.345 -22.683 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -8.580 -19.853 -21.194 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.151 -18.938 -20.757 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -6.902 -18.182 -23.138 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -8.326 -19.103 -23.581 1.00 0.00 H new ATOM 612 N GLY B 8 -4.758 -21.221 -20.725 1.00 0.00 N ATOM 613 CA GLY B 8 -4.035 -21.818 -19.566 1.00 0.00 C ATOM 614 C GLY B 8 -3.832 -20.755 -18.485 1.00 0.00 C ATOM 615 O GLY B 8 -4.017 -21.006 -17.311 1.00 0.00 O ATOM 0 H GLY B 8 -4.164 -20.779 -21.427 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.603 -22.657 -19.163 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.071 -22.211 -19.889 1.00 0.00 H new ATOM 619 N SER B 9 -3.452 -19.567 -18.871 1.00 0.00 N ATOM 620 CA SER B 9 -3.238 -18.489 -17.864 1.00 0.00 C ATOM 621 C SER B 9 -3.662 -17.135 -18.440 1.00 0.00 C ATOM 622 O SER B 9 -4.040 -17.028 -19.589 1.00 0.00 O ATOM 623 CB SER B 9 -1.736 -18.504 -17.581 1.00 0.00 C ATOM 624 OG SER B 9 -1.036 -18.065 -18.737 1.00 0.00 O ATOM 0 H SER B 9 -3.281 -19.297 -19.840 1.00 0.00 H new ATOM 0 HA SER B 9 -3.825 -18.647 -16.959 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.507 -17.856 -16.735 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.416 -19.509 -17.308 1.00 0.00 H new ATOM 0 HG SER B 9 -0.072 -18.072 -18.558 1.00 0.00 H new ATOM 630 N TYR B 10 -3.603 -16.099 -17.648 1.00 0.00 N ATOM 631 CA TYR B 10 -4.003 -14.753 -18.149 1.00 0.00 C ATOM 632 C TYR B 10 -2.913 -13.725 -17.831 1.00 0.00 C ATOM 633 O TYR B 10 -2.024 -13.972 -17.042 1.00 0.00 O ATOM 634 CB TYR B 10 -5.291 -14.418 -17.395 1.00 0.00 C ATOM 635 CG TYR B 10 -6.280 -13.781 -18.342 1.00 0.00 C ATOM 636 CD1 TYR B 10 -6.552 -14.379 -19.580 1.00 0.00 C ATOM 637 CD2 TYR B 10 -6.927 -12.591 -17.983 1.00 0.00 C ATOM 638 CE1 TYR B 10 -7.470 -13.787 -20.458 1.00 0.00 C ATOM 639 CE2 TYR B 10 -7.845 -12.000 -18.860 1.00 0.00 C ATOM 640 CZ TYR B 10 -8.116 -12.598 -20.098 1.00 0.00 C ATOM 641 OH TYR B 10 -9.020 -12.014 -20.963 1.00 0.00 O ATOM 0 H TYR B 10 -3.295 -16.126 -16.676 1.00 0.00 H new ATOM 0 HA TYR B 10 -4.147 -14.740 -19.229 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -5.717 -15.323 -16.962 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -5.075 -13.741 -16.569 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -6.054 -15.296 -19.857 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -6.718 -12.129 -17.029 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -7.679 -14.248 -21.412 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -8.344 -11.083 -18.582 1.00 0.00 H new ATOM 0 HH TYR B 10 -9.378 -11.196 -20.559 1.00 0.00 H new ATOM 651 N ASP B 11 -2.976 -12.573 -18.442 1.00 0.00 N ATOM 652 CA ASP B 11 -1.946 -11.529 -18.174 1.00 0.00 C ATOM 653 C ASP B 11 -2.620 -10.186 -17.883 1.00 0.00 C ATOM 654 O ASP B 11 -2.603 -9.283 -18.695 1.00 0.00 O ATOM 655 CB ASP B 11 -1.121 -11.448 -19.459 1.00 0.00 C ATOM 656 CG ASP B 11 0.130 -12.318 -19.319 1.00 0.00 C ATOM 657 OD1 ASP B 11 0.024 -13.382 -18.732 1.00 0.00 O ATOM 658 OD2 ASP B 11 1.171 -11.904 -19.802 1.00 0.00 O ATOM 0 H ASP B 11 -3.696 -12.310 -19.115 1.00 0.00 H new ATOM 0 HA ASP B 11 -1.329 -11.769 -17.308 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -1.717 -11.783 -20.308 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -0.838 -10.414 -19.657 1.00 0.00 H new ATOM 663 N LEU B 12 -3.216 -10.049 -16.730 1.00 0.00 N ATOM 664 CA LEU B 12 -3.892 -8.769 -16.388 1.00 0.00 C ATOM 665 C LEU B 12 -4.271 -8.752 -14.905 1.00 0.00 C ATOM 666 O LEU B 12 -4.646 -9.759 -14.339 1.00 0.00 O ATOM 667 CB LEU B 12 -5.143 -8.741 -17.265 1.00 0.00 C ATOM 668 CG LEU B 12 -5.962 -7.489 -16.949 1.00 0.00 C ATOM 669 CD1 LEU B 12 -6.771 -7.083 -18.182 1.00 0.00 C ATOM 670 CD2 LEU B 12 -6.918 -7.783 -15.790 1.00 0.00 C ATOM 0 H LEU B 12 -3.263 -10.770 -16.010 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.254 -7.902 -16.560 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.862 -8.748 -18.318 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -5.743 -9.634 -17.090 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.290 -6.678 -16.671 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.355 -6.191 -17.956 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.093 -6.874 -19.009 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -7.443 -7.895 -18.460 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -7.502 -6.891 -15.565 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -7.589 -8.595 -16.069 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -6.344 -8.073 -14.910 1.00 0.00 H new ATOM 682 N GLY B 13 -4.176 -7.615 -14.273 1.00 0.00 N ATOM 683 CA GLY B 13 -4.531 -7.536 -12.828 1.00 0.00 C ATOM 684 C GLY B 13 -4.688 -6.071 -12.417 1.00 0.00 C ATOM 685 O GLY B 13 -5.663 -5.691 -11.799 1.00 0.00 O ATOM 0 H GLY B 13 -3.868 -6.738 -14.694 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -5.458 -8.078 -12.641 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -3.757 -8.012 -12.226 1.00 0.00 H new ATOM 689 N LYS B 14 -3.734 -5.246 -12.753 1.00 0.00 N ATOM 690 CA LYS B 14 -3.830 -3.806 -12.378 1.00 0.00 C ATOM 691 C LYS B 14 -4.135 -2.955 -13.614 1.00 0.00 C ATOM 692 O LYS B 14 -3.995 -3.399 -14.737 1.00 0.00 O ATOM 693 CB LYS B 14 -2.455 -3.452 -11.813 1.00 0.00 C ATOM 694 CG LYS B 14 -2.442 -3.708 -10.305 1.00 0.00 C ATOM 695 CD LYS B 14 -1.001 -3.910 -9.834 1.00 0.00 C ATOM 696 CE LYS B 14 -0.606 -2.768 -8.895 1.00 0.00 C ATOM 697 NZ LYS B 14 0.881 -2.712 -8.961 1.00 0.00 N ATOM 0 H LYS B 14 -2.894 -5.506 -13.270 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.628 -3.620 -11.659 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -1.685 -4.050 -12.301 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -2.224 -2.406 -12.017 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -2.893 -2.867 -9.779 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -3.040 -4.589 -10.070 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -0.906 -4.867 -9.320 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -0.328 -3.940 -10.691 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -1.051 -1.825 -9.212 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -0.949 -2.957 -7.878 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 1.228 -1.951 -8.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.277 -3.621 -8.647 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 1.178 -2.524 -9.940 1.00 0.00 H new ATOM 711 N LYS B 15 -4.548 -1.734 -13.414 1.00 0.00 N ATOM 712 CA LYS B 15 -4.859 -0.851 -14.575 1.00 0.00 C ATOM 713 C LYS B 15 -4.212 0.522 -14.378 1.00 0.00 C ATOM 714 O LYS B 15 -3.896 0.908 -13.270 1.00 0.00 O ATOM 715 CB LYS B 15 -6.384 -0.729 -14.588 1.00 0.00 C ATOM 716 CG LYS B 15 -7.008 -2.124 -14.639 1.00 0.00 C ATOM 717 CD LYS B 15 -7.445 -2.539 -13.233 1.00 0.00 C ATOM 718 CE LYS B 15 -8.940 -2.863 -13.240 1.00 0.00 C ATOM 719 NZ LYS B 15 -9.045 -4.199 -12.589 1.00 0.00 N ATOM 0 H LYS B 15 -4.684 -1.309 -12.497 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.477 -1.253 -15.514 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.724 -0.199 -13.698 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.705 -0.144 -15.450 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -7.865 -2.126 -15.313 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -6.289 -2.841 -15.035 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -6.875 -3.408 -12.905 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -7.239 -1.737 -12.525 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -9.510 -2.111 -12.694 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -9.335 -2.886 -14.256 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -10.042 -4.492 -12.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -8.498 -4.895 -13.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -8.668 -4.144 -11.621 1.00 0.00 H new ATOM 733 N PRO B 16 -4.036 1.215 -15.469 1.00 0.00 N ATOM 734 CA PRO B 16 -3.418 2.562 -15.426 1.00 0.00 C ATOM 735 C PRO B 16 -4.390 3.586 -14.830 1.00 0.00 C ATOM 736 O PRO B 16 -5.588 3.386 -14.811 1.00 0.00 O ATOM 737 CB PRO B 16 -3.134 2.873 -16.892 1.00 0.00 C ATOM 738 CG PRO B 16 -4.110 2.041 -17.661 1.00 0.00 C ATOM 739 CD PRO B 16 -4.393 0.814 -16.835 1.00 0.00 C ATOM 0 HA PRO B 16 -2.524 2.600 -14.804 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -3.267 3.934 -17.103 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -2.107 2.622 -17.157 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -5.027 2.599 -17.849 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -3.700 1.765 -18.632 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -5.440 0.520 -16.904 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.800 -0.037 -17.169 1.00 0.00 H new ATOM 747 N ILE B 17 -3.876 4.683 -14.346 1.00 0.00 N ATOM 748 CA ILE B 17 -4.746 5.732 -13.755 1.00 0.00 C ATOM 749 C ILE B 17 -4.040 7.084 -13.826 1.00 0.00 C ATOM 750 O ILE B 17 -3.869 7.763 -12.833 1.00 0.00 O ATOM 751 CB ILE B 17 -4.958 5.309 -12.302 1.00 0.00 C ATOM 752 CG1 ILE B 17 -3.628 4.854 -11.699 1.00 0.00 C ATOM 753 CG2 ILE B 17 -5.966 4.161 -12.242 1.00 0.00 C ATOM 754 CD1 ILE B 17 -3.778 4.717 -10.183 1.00 0.00 C ATOM 0 H ILE B 17 -2.879 4.897 -14.336 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.694 5.834 -14.283 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.341 6.156 -11.734 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.326 3.901 -12.133 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -2.844 5.574 -11.934 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -6.115 3.862 -11.205 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -6.916 4.488 -12.665 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.587 3.314 -12.813 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -2.831 4.393 -9.752 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.060 5.680 -9.757 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.550 3.981 -9.959 1.00 0.00 H new ATOM 766 N TYR B 18 -3.623 7.477 -14.996 1.00 0.00 N ATOM 767 CA TYR B 18 -2.919 8.781 -15.140 1.00 0.00 C ATOM 768 C TYR B 18 -3.929 9.919 -15.300 1.00 0.00 C ATOM 769 O TYR B 18 -4.563 10.059 -16.328 1.00 0.00 O ATOM 770 CB TYR B 18 -2.074 8.626 -16.405 1.00 0.00 C ATOM 771 CG TYR B 18 -0.953 9.634 -16.395 1.00 0.00 C ATOM 772 CD1 TYR B 18 -1.200 10.960 -16.773 1.00 0.00 C ATOM 773 CD2 TYR B 18 0.336 9.246 -16.008 1.00 0.00 C ATOM 774 CE1 TYR B 18 -0.159 11.897 -16.764 1.00 0.00 C ATOM 775 CE2 TYR B 18 1.376 10.181 -15.998 1.00 0.00 C ATOM 776 CZ TYR B 18 1.130 11.508 -16.375 1.00 0.00 C ATOM 777 OH TYR B 18 2.157 12.431 -16.365 1.00 0.00 O ATOM 0 H TYR B 18 -3.740 6.950 -15.861 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.313 9.025 -14.268 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.667 7.616 -16.461 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.696 8.768 -17.289 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -2.194 11.260 -17.072 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.527 8.224 -15.717 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -0.350 12.919 -17.057 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.369 9.880 -15.700 1.00 0.00 H new ATOM 0 HH TYR B 18 2.984 11.997 -16.069 1.00 0.00 H new ATOM 787 N LYS B 19 -4.083 10.735 -14.293 1.00 0.00 N ATOM 788 CA LYS B 19 -5.051 11.865 -14.390 1.00 0.00 C ATOM 789 C LYS B 19 -4.948 12.759 -13.150 1.00 0.00 C ATOM 790 O LYS B 19 -5.910 13.377 -12.737 1.00 0.00 O ATOM 791 CB LYS B 19 -6.428 11.205 -14.469 1.00 0.00 C ATOM 792 CG LYS B 19 -6.697 10.420 -13.182 1.00 0.00 C ATOM 793 CD LYS B 19 -8.014 9.654 -13.320 1.00 0.00 C ATOM 794 CE LYS B 19 -7.720 8.175 -13.582 1.00 0.00 C ATOM 795 NZ LYS B 19 -9.027 7.485 -13.397 1.00 0.00 N ATOM 0 H LYS B 19 -3.581 10.668 -13.408 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.858 12.501 -15.254 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -7.198 11.963 -14.612 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -6.474 10.538 -15.330 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -5.879 9.726 -12.988 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -6.746 11.100 -12.332 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -8.607 9.762 -12.412 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -8.604 10.069 -14.137 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -7.332 8.022 -14.589 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -6.970 7.793 -12.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -8.907 6.465 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -9.369 7.643 -12.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -9.719 7.865 -14.074 1.00 0.00 H new ATOM 809 N LYS B 20 -3.788 12.836 -12.557 1.00 0.00 N ATOM 810 CA LYS B 20 -3.621 13.694 -11.347 1.00 0.00 C ATOM 811 C LYS B 20 -4.155 15.103 -11.622 1.00 0.00 C ATOM 812 O LYS B 20 -4.033 15.618 -12.716 1.00 0.00 O ATOM 813 CB LYS B 20 -2.114 13.730 -11.089 1.00 0.00 C ATOM 814 CG LYS B 20 -1.842 14.371 -9.727 1.00 0.00 C ATOM 815 CD LYS B 20 -1.057 13.394 -8.850 1.00 0.00 C ATOM 816 CE LYS B 20 -1.383 13.652 -7.377 1.00 0.00 C ATOM 817 NZ LYS B 20 -0.337 14.606 -6.913 1.00 0.00 N ATOM 0 H LYS B 20 -2.948 12.342 -12.857 1.00 0.00 H new ATOM 0 HA LYS B 20 -4.170 13.308 -10.488 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -1.706 12.719 -11.115 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -1.614 14.296 -11.875 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -1.278 15.295 -9.854 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -2.782 14.635 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -1.310 12.367 -9.115 1.00 0.00 H new ATOM 0 HD3 LYS B 20 0.013 13.513 -9.023 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -2.381 14.074 -7.262 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -1.359 12.728 -6.799 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -0.493 14.832 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 0.602 14.175 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -0.389 15.479 -7.476 1.00 0.00 H new ATOM 831 N ALA B 21 -4.745 15.728 -10.642 1.00 0.00 N ATOM 832 CA ALA B 21 -5.285 17.103 -10.854 1.00 0.00 C ATOM 833 C ALA B 21 -5.265 17.894 -9.544 1.00 0.00 C ATOM 834 O ALA B 21 -6.301 18.235 -9.008 1.00 0.00 O ATOM 835 CB ALA B 21 -6.722 16.893 -11.332 1.00 0.00 C ATOM 0 H ALA B 21 -4.877 15.349 -9.705 1.00 0.00 H new ATOM 0 HA ALA B 21 -4.693 17.671 -11.572 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -7.191 17.861 -11.511 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -6.717 16.315 -12.256 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -7.284 16.353 -10.570 1.00 0.00 H new ATOM 841 N PRO B 22 -4.078 18.165 -9.075 1.00 0.00 N ATOM 842 CA PRO B 22 -3.912 18.930 -7.816 1.00 0.00 C ATOM 843 C PRO B 22 -4.247 20.407 -8.043 1.00 0.00 C ATOM 844 O PRO B 22 -5.382 20.823 -7.925 1.00 0.00 O ATOM 845 CB PRO B 22 -2.435 18.747 -7.478 1.00 0.00 C ATOM 846 CG PRO B 22 -1.770 18.461 -8.787 1.00 0.00 C ATOM 847 CD PRO B 22 -2.790 17.786 -9.667 1.00 0.00 C ATOM 0 HA PRO B 22 -4.569 18.591 -7.015 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -2.023 19.643 -7.013 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -2.290 17.927 -6.774 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -1.415 19.383 -9.247 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -0.900 17.820 -8.645 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -2.711 18.124 -10.700 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -2.657 16.704 -9.674 1.00 0.00 H new ATOM 855 N THR B 23 -3.267 21.200 -8.371 1.00 0.00 N ATOM 856 CA THR B 23 -3.522 22.649 -8.612 1.00 0.00 C ATOM 857 C THR B 23 -2.314 23.288 -9.303 1.00 0.00 C ATOM 858 O THR B 23 -1.552 22.625 -9.978 1.00 0.00 O ATOM 859 CB THR B 23 -3.729 23.254 -7.222 1.00 0.00 C ATOM 860 OG1 THR B 23 -3.867 24.663 -7.338 1.00 0.00 O ATOM 861 CG2 THR B 23 -2.524 22.929 -6.337 1.00 0.00 C ATOM 0 H THR B 23 -2.296 20.907 -8.483 1.00 0.00 H new ATOM 0 HA THR B 23 -4.384 22.815 -9.259 1.00 0.00 H new ATOM 0 HB THR B 23 -4.630 22.835 -6.773 1.00 0.00 H new ATOM 0 HG1 THR B 23 -3.160 25.104 -6.823 1.00 0.00 H new ATOM 0 HG21 THR B 23 -2.673 23.361 -5.347 1.00 0.00 H new ATOM 0 HG22 THR B 23 -2.418 21.848 -6.249 1.00 0.00 H new ATOM 0 HG23 THR B 23 -1.622 23.347 -6.783 1.00 0.00 H new ATOM 869 N ASN B 24 -2.132 24.570 -9.140 1.00 0.00 N ATOM 870 CA ASN B 24 -0.972 25.246 -9.790 1.00 0.00 C ATOM 871 C ASN B 24 0.316 24.468 -9.507 1.00 0.00 C ATOM 872 O ASN B 24 0.323 23.512 -8.758 1.00 0.00 O ATOM 873 CB ASN B 24 -0.913 26.634 -9.153 1.00 0.00 C ATOM 874 CG ASN B 24 -0.799 26.497 -7.634 1.00 0.00 C ATOM 875 OD1 ASN B 24 -1.762 26.174 -6.968 1.00 0.00 O ATOM 876 ND2 ASN B 24 0.347 26.732 -7.053 1.00 0.00 N ATOM 0 H ASN B 24 -2.735 25.178 -8.586 1.00 0.00 H new ATOM 0 HA ASN B 24 -1.079 25.301 -10.873 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -0.059 27.188 -9.543 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -1.807 27.202 -9.411 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.433 26.644 -6.040 1.00 0.00 H new ATOM 0 HD22 ASN B 24 1.156 27.003 -7.612 1.00 0.00 H new ATOM 883 N GLU B 25 1.406 24.873 -10.099 1.00 0.00 N ATOM 884 CA GLU B 25 2.692 24.156 -9.863 1.00 0.00 C ATOM 885 C GLU B 25 3.800 25.156 -9.521 1.00 0.00 C ATOM 886 O GLU B 25 4.653 25.452 -10.335 1.00 0.00 O ATOM 887 CB GLU B 25 2.998 23.445 -11.182 1.00 0.00 C ATOM 888 CG GLU B 25 3.070 21.935 -10.943 1.00 0.00 C ATOM 889 CD GLU B 25 4.410 21.584 -10.297 1.00 0.00 C ATOM 890 OE1 GLU B 25 5.359 22.322 -10.508 1.00 0.00 O ATOM 891 OE2 GLU B 25 4.466 20.583 -9.601 1.00 0.00 O ATOM 0 H GLU B 25 1.462 25.668 -10.735 1.00 0.00 H new ATOM 0 HA GLU B 25 2.628 23.457 -9.029 1.00 0.00 H new ATOM 0 HB2 GLU B 25 2.226 23.671 -11.917 1.00 0.00 H new ATOM 0 HB3 GLU B 25 3.942 23.805 -11.591 1.00 0.00 H new ATOM 0 HG2 GLU B 25 2.250 21.619 -10.299 1.00 0.00 H new ATOM 0 HG3 GLU B 25 2.958 21.401 -11.887 1.00 0.00 H new ATOM 898 N PHE B 26 3.794 25.677 -8.326 1.00 0.00 N ATOM 899 CA PHE B 26 4.848 26.657 -7.937 1.00 0.00 C ATOM 900 C PHE B 26 6.237 26.057 -8.165 1.00 0.00 C ATOM 901 O PHE B 26 6.634 25.116 -7.507 1.00 0.00 O ATOM 902 CB PHE B 26 4.617 26.918 -6.448 1.00 0.00 C ATOM 903 CG PHE B 26 5.348 28.174 -6.039 1.00 0.00 C ATOM 904 CD1 PHE B 26 6.711 28.117 -5.720 1.00 0.00 C ATOM 905 CD2 PHE B 26 4.665 29.396 -5.980 1.00 0.00 C ATOM 906 CE1 PHE B 26 7.391 29.282 -5.341 1.00 0.00 C ATOM 907 CE2 PHE B 26 5.345 30.561 -5.600 1.00 0.00 C ATOM 908 CZ PHE B 26 6.708 30.504 -5.282 1.00 0.00 C ATOM 0 H PHE B 26 3.106 25.468 -7.602 1.00 0.00 H new ATOM 0 HA PHE B 26 4.796 27.573 -8.525 1.00 0.00 H new ATOM 0 HB2 PHE B 26 3.551 27.023 -6.247 1.00 0.00 H new ATOM 0 HB3 PHE B 26 4.970 26.071 -5.860 1.00 0.00 H new ATOM 0 HD1 PHE B 26 7.238 27.175 -5.766 1.00 0.00 H new ATOM 0 HD2 PHE B 26 3.615 29.440 -6.227 1.00 0.00 H new ATOM 0 HE1 PHE B 26 8.442 29.238 -5.094 1.00 0.00 H new ATOM 0 HE2 PHE B 26 4.818 31.503 -5.552 1.00 0.00 H new ATOM 0 HZ PHE B 26 7.233 31.402 -4.991 1.00 0.00 H new ATOM 918 N TYR B 27 6.981 26.594 -9.094 1.00 0.00 N ATOM 919 CA TYR B 27 8.344 26.053 -9.364 1.00 0.00 C ATOM 920 C TYR B 27 9.256 27.161 -9.898 1.00 0.00 C ATOM 921 O TYR B 27 9.326 27.402 -11.086 1.00 0.00 O ATOM 922 CB TYR B 27 8.138 24.970 -10.423 1.00 0.00 C ATOM 923 CG TYR B 27 9.264 23.967 -10.344 1.00 0.00 C ATOM 924 CD1 TYR B 27 9.200 22.913 -9.424 1.00 0.00 C ATOM 925 CD2 TYR B 27 10.374 24.093 -11.189 1.00 0.00 C ATOM 926 CE1 TYR B 27 10.245 21.983 -9.350 1.00 0.00 C ATOM 927 CE2 TYR B 27 11.420 23.163 -11.115 1.00 0.00 C ATOM 928 CZ TYR B 27 11.355 22.109 -10.196 1.00 0.00 C ATOM 929 OH TYR B 27 12.385 21.194 -10.122 1.00 0.00 O ATOM 0 H TYR B 27 6.704 27.384 -9.677 1.00 0.00 H new ATOM 0 HA TYR B 27 8.817 25.658 -8.465 1.00 0.00 H new ATOM 0 HB2 TYR B 27 7.181 24.472 -10.267 1.00 0.00 H new ATOM 0 HB3 TYR B 27 8.106 25.419 -11.416 1.00 0.00 H new ATOM 0 HD1 TYR B 27 8.345 22.817 -8.771 1.00 0.00 H new ATOM 0 HD2 TYR B 27 10.424 24.907 -11.897 1.00 0.00 H new ATOM 0 HE1 TYR B 27 10.195 21.169 -8.641 1.00 0.00 H new ATOM 0 HE2 TYR B 27 12.276 23.259 -11.767 1.00 0.00 H new ATOM 0 HH TYR B 27 13.076 21.425 -10.777 1.00 0.00 H new ATOM 939 N ALA B 28 9.956 27.836 -9.028 1.00 0.00 N ATOM 940 CA ALA B 28 10.863 28.927 -9.486 1.00 0.00 C ATOM 941 C ALA B 28 12.107 28.991 -8.596 1.00 0.00 C ATOM 942 O ALA B 28 12.747 30.030 -8.580 1.00 0.00 O ATOM 943 CB ALA B 28 10.040 30.208 -9.351 1.00 0.00 C ATOM 944 OXT ALA B 28 12.397 28.000 -7.946 1.00 0.00 O ATOM 0 H ALA B 28 9.939 27.680 -8.020 1.00 0.00 H new ATOM 0 HA ALA B 28 11.212 28.772 -10.507 1.00 0.00 H new ATOM 0 HB1 ALA B 28 10.639 31.061 -9.670 1.00 0.00 H new ATOM 0 HB2 ALA B 28 9.150 30.136 -9.976 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.743 30.342 -8.311 1.00 0.00 H new TER 950 ALA B 28