USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=10 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 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+ 180:sc= 0 (180deg=0) 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= -0.0694 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 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.0767 K(o=0.077,f=-5.5!) 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+ 180:sc= 0 (180deg=0) 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= -0.073 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 USER MOD Single : B 24 ASN : amide:sc= -0.166 K(o=-0.17,f=-5.7!) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 10.623 -21.171 -32.035 1.00 0.00 N ATOM 2 CA ARG A 1 12.019 -21.178 -31.511 1.00 0.00 C ATOM 3 C ARG A 1 12.012 -21.079 -29.983 1.00 0.00 C ATOM 4 O ARG A 1 12.031 -20.002 -29.421 1.00 0.00 O ATOM 5 CB ARG A 1 12.678 -19.942 -32.124 1.00 0.00 C ATOM 6 CG ARG A 1 13.562 -20.364 -33.299 1.00 0.00 C ATOM 7 CD ARG A 1 14.310 -19.144 -33.841 1.00 0.00 C ATOM 8 NE ARG A 1 13.924 -19.066 -35.278 1.00 0.00 N ATOM 9 CZ ARG A 1 13.140 -18.109 -35.692 1.00 0.00 C ATOM 10 NH1 ARG A 1 13.647 -16.977 -36.097 1.00 0.00 N ATOM 11 NH2 ARG A 1 11.847 -18.284 -35.700 1.00 0.00 N ATOM 0 H1 ARG A 1 10.641 -21.239 -33.073 1.00 0.00 H new ATOM 0 H2 ARG A 1 10.101 -21.982 -31.644 1.00 0.00 H new ATOM 0 H3 ARG A 1 10.151 -20.288 -31.754 1.00 0.00 H new ATOM 0 HA ARG A 1 12.551 -22.094 -31.767 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.915 -19.241 -32.463 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.276 -19.425 -31.373 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.272 -21.126 -32.978 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.952 -20.808 -34.085 1.00 0.00 H new ATOM 0 HD2 ARG A 1 14.027 -18.237 -33.306 1.00 0.00 H new ATOM 0 HD3 ARG A 1 15.388 -19.258 -33.727 1.00 0.00 H new ATOM 0 HE ARG A 1 14.273 -19.761 -35.938 1.00 0.00 H new ATOM 0 HH11 ARG A 1 14.658 -16.839 -36.090 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.033 -16.230 -36.420 1.00 0.00 H new ATOM 0 HH21 ARG A 1 11.450 -19.168 -35.383 1.00 0.00 H new ATOM 0 HH22 ARG A 1 11.233 -17.536 -36.023 1.00 0.00 H new ATOM 27 N MET A 2 11.984 -22.195 -29.306 1.00 0.00 N ATOM 28 CA MET A 2 11.976 -22.162 -27.815 1.00 0.00 C ATOM 29 C MET A 2 13.193 -22.909 -27.263 1.00 0.00 C ATOM 30 O MET A 2 13.618 -23.910 -27.804 1.00 0.00 O ATOM 31 CB MET A 2 10.682 -22.870 -27.410 1.00 0.00 C ATOM 32 CG MET A 2 10.168 -22.282 -26.095 1.00 0.00 C ATOM 33 SD MET A 2 9.496 -23.609 -25.063 1.00 0.00 S ATOM 34 CE MET A 2 8.581 -22.558 -23.910 1.00 0.00 C ATOM 0 H MET A 2 11.966 -23.127 -29.720 1.00 0.00 H new ATOM 0 HA MET A 2 12.024 -21.146 -27.424 1.00 0.00 H new ATOM 0 HB2 MET A 2 9.931 -22.753 -28.191 1.00 0.00 H new ATOM 0 HB3 MET A 2 10.860 -23.939 -27.297 1.00 0.00 H new ATOM 0 HG2 MET A 2 10.977 -21.773 -25.571 1.00 0.00 H new ATOM 0 HG3 MET A 2 9.398 -21.536 -26.294 1.00 0.00 H new ATOM 0 HE1 MET A 2 8.078 -23.181 -23.170 1.00 0.00 H new ATOM 0 HE2 MET A 2 9.273 -21.883 -23.406 1.00 0.00 H new ATOM 0 HE3 MET A 2 7.840 -21.976 -24.458 1.00 0.00 H new ATOM 44 N LYS A 3 13.757 -22.429 -26.188 1.00 0.00 N ATOM 45 CA LYS A 3 14.946 -23.111 -25.603 1.00 0.00 C ATOM 46 C LYS A 3 15.040 -22.819 -24.102 1.00 0.00 C ATOM 47 O LYS A 3 16.106 -22.855 -23.520 1.00 0.00 O ATOM 48 CB LYS A 3 16.146 -22.517 -26.341 1.00 0.00 C ATOM 49 CG LYS A 3 16.162 -20.998 -26.150 1.00 0.00 C ATOM 50 CD LYS A 3 17.385 -20.407 -26.853 1.00 0.00 C ATOM 51 CE LYS A 3 18.398 -19.936 -25.807 1.00 0.00 C ATOM 52 NZ LYS A 3 18.667 -18.511 -26.145 1.00 0.00 N ATOM 0 H LYS A 3 13.446 -21.595 -25.690 1.00 0.00 H new ATOM 0 HA LYS A 3 14.895 -24.194 -25.712 1.00 0.00 H new ATOM 0 HB2 LYS A 3 17.071 -22.952 -25.962 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.091 -22.760 -27.402 1.00 0.00 H new ATOM 0 HG2 LYS A 3 15.250 -20.560 -26.556 1.00 0.00 H new ATOM 0 HG3 LYS A 3 16.187 -20.755 -25.088 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.839 -21.154 -27.504 1.00 0.00 H new ATOM 0 HD3 LYS A 3 17.085 -19.572 -27.486 1.00 0.00 H new ATOM 0 HE2 LYS A 3 17.998 -20.033 -24.798 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.311 -20.530 -25.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 19.354 -18.118 -25.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.054 -18.450 -27.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 17.781 -17.969 -26.093 1.00 0.00 H new ATOM 66 N LYS A 4 13.933 -22.530 -23.474 1.00 0.00 N ATOM 67 CA LYS A 4 13.963 -22.235 -22.012 1.00 0.00 C ATOM 68 C LYS A 4 12.713 -22.801 -21.331 1.00 0.00 C ATOM 69 O LYS A 4 11.924 -23.497 -21.940 1.00 0.00 O ATOM 70 CB LYS A 4 13.982 -20.709 -21.917 1.00 0.00 C ATOM 71 CG LYS A 4 12.725 -20.140 -22.576 1.00 0.00 C ATOM 72 CD LYS A 4 12.270 -18.893 -21.817 1.00 0.00 C ATOM 73 CE LYS A 4 13.095 -17.687 -22.272 1.00 0.00 C ATOM 74 NZ LYS A 4 13.545 -17.030 -21.014 1.00 0.00 N ATOM 0 H LYS A 4 13.011 -22.485 -23.908 1.00 0.00 H new ATOM 0 HA LYS A 4 14.824 -22.685 -21.517 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.029 -20.400 -20.873 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.872 -20.315 -22.407 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.929 -19.891 -23.617 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.932 -20.888 -22.577 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.211 -18.711 -21.998 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.389 -19.044 -20.744 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.944 -17.997 -22.881 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.498 -17.007 -22.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.118 -16.193 -21.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.715 -16.739 -20.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.117 -17.698 -20.459 1.00 0.00 H new ATOM 88 N LYS A 5 12.527 -22.509 -20.073 1.00 0.00 N ATOM 89 CA LYS A 5 11.329 -23.030 -19.354 1.00 0.00 C ATOM 90 C LYS A 5 10.891 -22.042 -18.269 1.00 0.00 C ATOM 91 O LYS A 5 10.985 -22.320 -17.090 1.00 0.00 O ATOM 92 CB LYS A 5 11.787 -24.347 -18.727 1.00 0.00 C ATOM 93 CG LYS A 5 10.565 -25.166 -18.308 1.00 0.00 C ATOM 94 CD LYS A 5 11.019 -26.536 -17.797 1.00 0.00 C ATOM 95 CE LYS A 5 11.711 -26.371 -16.441 1.00 0.00 C ATOM 96 NZ LYS A 5 11.213 -27.506 -15.616 1.00 0.00 N ATOM 0 H LYS A 5 13.153 -21.932 -19.511 1.00 0.00 H new ATOM 0 HA LYS A 5 10.476 -23.169 -20.018 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.389 -24.911 -19.439 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.419 -24.149 -17.862 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.012 -24.641 -17.530 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.888 -25.288 -19.154 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.162 -27.203 -17.701 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.702 -26.995 -18.512 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.796 -26.404 -16.544 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.463 -25.413 -15.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.643 -27.462 -14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.178 -27.445 -15.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.470 -28.405 -16.071 1.00 0.00 H new ATOM 110 N ASP A 6 10.413 -20.892 -18.659 1.00 0.00 N ATOM 111 CA ASP A 6 9.969 -19.889 -17.648 1.00 0.00 C ATOM 112 C ASP A 6 8.769 -19.097 -18.175 1.00 0.00 C ATOM 113 O ASP A 6 8.871 -18.367 -19.140 1.00 0.00 O ATOM 114 CB ASP A 6 11.173 -18.968 -17.449 1.00 0.00 C ATOM 115 CG ASP A 6 12.088 -19.548 -16.368 1.00 0.00 C ATOM 116 OD1 ASP A 6 11.569 -20.140 -15.437 1.00 0.00 O ATOM 117 OD2 ASP A 6 13.291 -19.392 -16.492 1.00 0.00 O ATOM 0 H ASP A 6 10.311 -20.603 -19.632 1.00 0.00 H new ATOM 0 HA ASP A 6 9.654 -20.357 -16.715 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.721 -18.861 -18.385 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.838 -17.972 -17.160 1.00 0.00 H new ATOM 122 N GLU A 7 7.634 -19.237 -17.547 1.00 0.00 N ATOM 123 CA GLU A 7 6.428 -18.491 -18.010 1.00 0.00 C ATOM 124 C GLU A 7 5.627 -17.985 -16.808 1.00 0.00 C ATOM 125 O GLU A 7 5.458 -18.681 -15.826 1.00 0.00 O ATOM 126 CB GLU A 7 5.614 -19.513 -18.805 1.00 0.00 C ATOM 127 CG GLU A 7 5.705 -19.187 -20.299 1.00 0.00 C ATOM 128 CD GLU A 7 4.460 -19.714 -21.013 1.00 0.00 C ATOM 129 OE1 GLU A 7 3.888 -20.678 -20.532 1.00 0.00 O ATOM 130 OE2 GLU A 7 4.100 -19.144 -22.030 1.00 0.00 O ATOM 0 H GLU A 7 7.489 -19.835 -16.734 1.00 0.00 H new ATOM 0 HA GLU A 7 6.685 -17.618 -18.610 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.990 -20.519 -18.618 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.573 -19.497 -18.481 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.791 -18.110 -20.442 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.601 -19.638 -20.727 1.00 0.00 H new ATOM 137 N GLY A 8 5.136 -16.778 -16.874 1.00 0.00 N ATOM 138 CA GLY A 8 4.349 -16.233 -15.732 1.00 0.00 C ATOM 139 C GLY A 8 3.248 -15.311 -16.257 1.00 0.00 C ATOM 140 O GLY A 8 3.320 -14.804 -17.359 1.00 0.00 O ATOM 0 H GLY A 8 5.245 -16.147 -17.668 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.910 -17.049 -15.158 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.004 -15.684 -15.056 1.00 0.00 H new ATOM 144 N SER A 9 2.227 -15.090 -15.476 1.00 0.00 N ATOM 145 CA SER A 9 1.117 -14.200 -15.927 1.00 0.00 C ATOM 146 C SER A 9 0.263 -13.776 -14.728 1.00 0.00 C ATOM 147 O SER A 9 0.154 -12.607 -14.413 1.00 0.00 O ATOM 148 CB SER A 9 0.297 -15.048 -16.896 1.00 0.00 C ATOM 149 OG SER A 9 -0.164 -16.213 -16.226 1.00 0.00 O ATOM 0 H SER A 9 2.112 -15.487 -14.544 1.00 0.00 H new ATOM 0 HA SER A 9 1.483 -13.287 -16.397 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.549 -14.473 -17.274 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.904 -15.326 -17.757 1.00 0.00 H new ATOM 0 HG SER A 9 -0.692 -16.759 -16.845 1.00 0.00 H new ATOM 155 N TYR A 10 -0.342 -14.717 -14.057 1.00 0.00 N ATOM 156 CA TYR A 10 -1.187 -14.371 -12.878 1.00 0.00 C ATOM 157 C TYR A 10 -2.097 -13.184 -13.207 1.00 0.00 C ATOM 158 O TYR A 10 -2.308 -12.850 -14.356 1.00 0.00 O ATOM 159 CB TYR A 10 -0.194 -13.993 -11.779 1.00 0.00 C ATOM 160 CG TYR A 10 -0.291 -14.989 -10.649 1.00 0.00 C ATOM 161 CD1 TYR A 10 -0.058 -16.350 -10.891 1.00 0.00 C ATOM 162 CD2 TYR A 10 -0.614 -14.553 -9.358 1.00 0.00 C ATOM 163 CE1 TYR A 10 -0.147 -17.274 -9.842 1.00 0.00 C ATOM 164 CE2 TYR A 10 -0.704 -15.477 -8.307 1.00 0.00 C ATOM 165 CZ TYR A 10 -0.470 -16.837 -8.550 1.00 0.00 C ATOM 166 OH TYR A 10 -0.557 -17.747 -7.516 1.00 0.00 O ATOM 0 H TYR A 10 -0.288 -15.712 -14.274 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.835 -15.195 -12.579 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.820 -13.979 -12.179 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.406 -12.989 -11.412 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.190 -16.686 -11.887 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.794 -13.505 -9.172 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.033 -18.322 -10.029 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.953 -15.141 -7.311 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.789 -17.279 -6.687 1.00 0.00 H new ATOM 176 N ASP A 11 -2.637 -12.545 -12.206 1.00 0.00 N ATOM 177 CA ASP A 11 -3.534 -11.381 -12.460 1.00 0.00 C ATOM 178 C ASP A 11 -2.719 -10.087 -12.521 1.00 0.00 C ATOM 179 O ASP A 11 -2.614 -9.363 -11.550 1.00 0.00 O ATOM 180 CB ASP A 11 -4.495 -11.355 -11.271 1.00 0.00 C ATOM 181 CG ASP A 11 -5.874 -11.842 -11.719 1.00 0.00 C ATOM 182 OD1 ASP A 11 -6.090 -13.043 -11.701 1.00 0.00 O ATOM 183 OD2 ASP A 11 -6.690 -11.007 -12.072 1.00 0.00 O ATOM 0 H ASP A 11 -2.496 -12.778 -11.223 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.063 -11.467 -13.409 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.116 -11.989 -10.470 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.567 -10.344 -10.870 1.00 0.00 H new ATOM 188 N LEU A 12 -2.139 -9.792 -13.652 1.00 0.00 N ATOM 189 CA LEU A 12 -1.332 -8.548 -13.773 1.00 0.00 C ATOM 190 C LEU A 12 -1.024 -8.254 -15.244 1.00 0.00 C ATOM 191 O LEU A 12 -0.653 -9.131 -15.999 1.00 0.00 O ATOM 192 CB LEU A 12 -0.047 -8.841 -13.002 1.00 0.00 C ATOM 193 CG LEU A 12 0.777 -7.559 -12.872 1.00 0.00 C ATOM 194 CD1 LEU A 12 1.801 -7.723 -11.749 1.00 0.00 C ATOM 195 CD2 LEU A 12 1.505 -7.287 -14.190 1.00 0.00 C ATOM 0 H LEU A 12 -2.190 -10.360 -14.498 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.854 -7.675 -13.382 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.286 -9.234 -12.014 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.532 -9.607 -13.518 1.00 0.00 H new ATOM 0 HG LEU A 12 0.116 -6.723 -12.642 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.388 -6.810 -11.656 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.283 -7.918 -10.810 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.463 -8.558 -11.979 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.093 -6.374 -14.099 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.166 -8.123 -14.420 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.775 -7.171 -14.991 1.00 0.00 H new ATOM 207 N GLY A 13 -1.173 -7.024 -15.655 1.00 0.00 N ATOM 208 CA GLY A 13 -0.888 -6.672 -17.075 1.00 0.00 C ATOM 209 C GLY A 13 -0.648 -5.166 -17.184 1.00 0.00 C ATOM 210 O GLY A 13 0.315 -4.722 -17.779 1.00 0.00 O ATOM 0 H GLY A 13 -1.480 -6.248 -15.069 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.013 -7.218 -17.428 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.724 -6.965 -17.709 1.00 0.00 H new ATOM 214 N LYS A 14 -1.514 -4.376 -16.612 1.00 0.00 N ATOM 215 CA LYS A 14 -1.336 -2.898 -16.678 1.00 0.00 C ATOM 216 C LYS A 14 -0.884 -2.363 -15.317 1.00 0.00 C ATOM 217 O LYS A 14 -1.020 -3.021 -14.305 1.00 0.00 O ATOM 218 CB LYS A 14 -2.717 -2.349 -17.038 1.00 0.00 C ATOM 219 CG LYS A 14 -2.678 -1.752 -18.447 1.00 0.00 C ATOM 220 CD LYS A 14 -2.559 -2.878 -19.476 1.00 0.00 C ATOM 221 CE LYS A 14 -3.649 -2.719 -20.537 1.00 0.00 C ATOM 222 NZ LYS A 14 -3.020 -3.181 -21.805 1.00 0.00 N ATOM 0 H LYS A 14 -2.339 -4.691 -16.101 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.579 -2.603 -17.405 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.460 -3.145 -16.989 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.017 -1.588 -16.317 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.581 -1.170 -18.632 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.834 -1.069 -18.541 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.575 -2.854 -19.944 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.654 -3.846 -18.984 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.528 -3.315 -20.292 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.977 -1.682 -20.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.707 -3.102 -22.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.190 -2.591 -22.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.724 -4.173 -21.704 1.00 0.00 H new ATOM 236 N LYS A 15 -0.345 -1.174 -15.282 1.00 0.00 N ATOM 237 CA LYS A 15 0.114 -0.604 -13.983 1.00 0.00 C ATOM 238 C LYS A 15 -0.546 0.754 -13.740 1.00 0.00 C ATOM 239 O LYS A 15 -0.801 1.493 -14.667 1.00 0.00 O ATOM 240 CB LYS A 15 1.627 -0.446 -14.131 1.00 0.00 C ATOM 241 CG LYS A 15 1.931 0.443 -15.337 1.00 0.00 C ATOM 242 CD LYS A 15 3.435 0.718 -15.403 1.00 0.00 C ATOM 243 CE LYS A 15 3.752 1.525 -16.664 1.00 0.00 C ATOM 244 NZ LYS A 15 4.491 0.581 -17.548 1.00 0.00 N ATOM 0 H LYS A 15 -0.203 -0.574 -16.095 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.148 -1.240 -13.138 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.048 -0.007 -13.227 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.095 -1.422 -14.258 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.599 -0.044 -16.254 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.382 1.381 -15.258 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.754 1.267 -14.517 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.987 -0.222 -15.412 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.841 1.883 -17.143 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.356 2.402 -16.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.744 1.062 -18.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.357 0.262 -17.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.889 -0.241 -17.759 1.00 0.00 H new ATOM 258 N PRO A 16 -0.799 1.031 -12.491 1.00 0.00 N ATOM 259 CA PRO A 16 -1.443 2.314 -12.108 1.00 0.00 C ATOM 260 C PRO A 16 -0.454 3.475 -12.249 1.00 0.00 C ATOM 261 O PRO A 16 0.474 3.610 -11.475 1.00 0.00 O ATOM 262 CB PRO A 16 -1.822 2.100 -10.646 1.00 0.00 C ATOM 263 CG PRO A 16 -0.877 1.053 -10.148 1.00 0.00 C ATOM 264 CD PRO A 16 -0.514 0.187 -11.327 1.00 0.00 C ATOM 0 HA PRO A 16 -2.298 2.567 -12.735 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.725 3.023 -10.074 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.858 1.774 -10.551 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.014 1.511 -9.718 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.341 0.458 -9.361 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.535 -0.109 -11.296 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.104 -0.730 -11.345 1.00 0.00 H new ATOM 272 N ILE A 17 -0.644 4.317 -13.228 1.00 0.00 N ATOM 273 CA ILE A 17 0.281 5.466 -13.415 1.00 0.00 C ATOM 274 C ILE A 17 -0.392 6.767 -12.971 1.00 0.00 C ATOM 275 O ILE A 17 -0.399 7.749 -13.686 1.00 0.00 O ATOM 276 CB ILE A 17 0.576 5.499 -14.914 1.00 0.00 C ATOM 277 CG1 ILE A 17 0.924 4.089 -15.394 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.757 6.434 -15.183 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.097 3.642 -16.442 1.00 0.00 C ATOM 0 H ILE A 17 -1.403 4.257 -13.907 1.00 0.00 H new ATOM 0 HA ILE A 17 1.191 5.363 -12.823 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.302 5.861 -15.449 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.928 4.075 -15.819 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.925 3.396 -14.552 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.967 6.457 -16.252 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.511 7.439 -14.840 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.636 6.073 -14.649 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.150 2.637 -16.785 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.094 3.640 -16.001 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.075 4.330 -17.288 1.00 0.00 H new ATOM 291 N TYR A 18 -0.961 6.783 -11.797 1.00 0.00 N ATOM 292 CA TYR A 18 -1.636 8.021 -11.311 1.00 0.00 C ATOM 293 C TYR A 18 -0.601 9.107 -11.004 1.00 0.00 C ATOM 294 O TYR A 18 -0.174 9.270 -9.878 1.00 0.00 O ATOM 295 CB TYR A 18 -2.364 7.599 -10.035 1.00 0.00 C ATOM 296 CG TYR A 18 -3.764 8.163 -10.045 1.00 0.00 C ATOM 297 CD1 TYR A 18 -4.012 9.411 -10.628 1.00 0.00 C ATOM 298 CD2 TYR A 18 -4.816 7.437 -9.469 1.00 0.00 C ATOM 299 CE1 TYR A 18 -5.311 9.935 -10.639 1.00 0.00 C ATOM 300 CE2 TYR A 18 -6.116 7.962 -9.479 1.00 0.00 C ATOM 301 CZ TYR A 18 -6.364 9.210 -10.064 1.00 0.00 C ATOM 302 OH TYR A 18 -7.643 9.727 -10.074 1.00 0.00 O ATOM 0 H TYR A 18 -0.988 5.993 -11.153 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.318 8.436 -12.053 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.399 6.512 -9.966 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.822 7.957 -9.159 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.201 9.971 -11.070 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.625 6.474 -9.018 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.501 10.897 -11.090 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.927 7.403 -9.035 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.254 9.098 -9.636 1.00 0.00 H new ATOM 312 N LYS A 19 -0.197 9.851 -11.996 1.00 0.00 N ATOM 313 CA LYS A 19 0.808 10.928 -11.760 1.00 0.00 C ATOM 314 C LYS A 19 0.711 11.989 -12.860 1.00 0.00 C ATOM 315 O LYS A 19 1.669 12.672 -13.165 1.00 0.00 O ATOM 316 CB LYS A 19 2.166 10.225 -11.812 1.00 0.00 C ATOM 317 CG LYS A 19 3.216 11.091 -11.112 1.00 0.00 C ATOM 318 CD LYS A 19 4.519 10.301 -10.971 1.00 0.00 C ATOM 319 CE LYS A 19 4.736 9.933 -9.502 1.00 0.00 C ATOM 320 NZ LYS A 19 6.122 9.388 -9.443 1.00 0.00 N ATOM 0 H LYS A 19 -0.518 9.761 -12.960 1.00 0.00 H new ATOM 0 HA LYS A 19 0.651 11.438 -10.810 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.102 9.250 -11.328 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.457 10.048 -12.848 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.391 12.002 -11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.855 11.396 -10.130 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.477 9.398 -11.581 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.358 10.894 -11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.626 10.804 -8.856 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.007 9.195 -9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.345 9.113 -8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.194 8.556 -10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.795 10.115 -9.760 1.00 0.00 H new ATOM 334 N LYS A 20 -0.439 12.130 -13.457 1.00 0.00 N ATOM 335 CA LYS A 20 -0.600 13.145 -14.539 1.00 0.00 C ATOM 336 C LYS A 20 -0.230 14.538 -14.022 1.00 0.00 C ATOM 337 O LYS A 20 -0.604 14.927 -12.933 1.00 0.00 O ATOM 338 CB LYS A 20 -2.081 13.091 -14.916 1.00 0.00 C ATOM 339 CG LYS A 20 -2.255 13.551 -16.365 1.00 0.00 C ATOM 340 CD LYS A 20 -2.726 12.374 -17.221 1.00 0.00 C ATOM 341 CE LYS A 20 -2.044 12.433 -18.591 1.00 0.00 C ATOM 342 NZ LYS A 20 -2.950 11.683 -19.504 1.00 0.00 N ATOM 0 H LYS A 20 -1.276 11.587 -13.244 1.00 0.00 H new ATOM 0 HA LYS A 20 0.047 12.942 -15.392 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.461 12.076 -14.797 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.661 13.729 -14.249 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.980 14.364 -16.415 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.312 13.940 -16.750 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.489 11.433 -16.725 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.809 12.408 -17.340 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.913 13.463 -18.923 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.053 11.980 -18.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.550 11.679 -20.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.050 10.704 -19.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.884 12.141 -19.520 1.00 0.00 H new ATOM 356 N ALA A 21 0.501 15.292 -14.797 1.00 0.00 N ATOM 357 CA ALA A 21 0.894 16.661 -14.354 1.00 0.00 C ATOM 358 C ALA A 21 0.525 17.684 -15.431 1.00 0.00 C ATOM 359 O ALA A 21 1.387 18.293 -16.033 1.00 0.00 O ATOM 360 CB ALA A 21 2.410 16.598 -14.168 1.00 0.00 C ATOM 0 H ALA A 21 0.843 15.019 -15.718 1.00 0.00 H new ATOM 0 HA ALA A 21 0.386 16.964 -13.438 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.777 17.571 -13.841 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.653 15.847 -13.416 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.882 16.331 -15.114 1.00 0.00 H new ATOM 366 N PRO A 22 -0.755 17.833 -15.640 1.00 0.00 N ATOM 367 CA PRO A 22 -1.257 18.786 -16.658 1.00 0.00 C ATOM 368 C PRO A 22 -1.088 20.228 -16.173 1.00 0.00 C ATOM 369 O PRO A 22 -1.287 21.170 -16.914 1.00 0.00 O ATOM 370 CB PRO A 22 -2.733 18.422 -16.793 1.00 0.00 C ATOM 371 CG PRO A 22 -3.095 17.778 -15.491 1.00 0.00 C ATOM 372 CD PRO A 22 -1.844 17.131 -14.952 1.00 0.00 C ATOM 0 HA PRO A 22 -0.721 18.723 -17.605 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.342 19.307 -16.978 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.897 17.742 -17.629 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.479 18.518 -14.789 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.881 17.037 -15.634 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.771 17.244 -13.870 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.825 16.062 -15.163 1.00 0.00 H new ATOM 380 N THR A 23 -0.722 20.405 -14.935 1.00 0.00 N ATOM 381 CA THR A 23 -0.537 21.785 -14.399 1.00 0.00 C ATOM 382 C THR A 23 -1.736 22.663 -14.768 1.00 0.00 C ATOM 383 O THR A 23 -2.690 22.209 -15.369 1.00 0.00 O ATOM 384 CB THR A 23 0.732 22.304 -15.075 1.00 0.00 C ATOM 385 OG1 THR A 23 1.657 21.236 -15.226 1.00 0.00 O ATOM 386 CG2 THR A 23 1.356 23.406 -14.218 1.00 0.00 C ATOM 0 H THR A 23 -0.542 19.654 -14.269 1.00 0.00 H new ATOM 0 HA THR A 23 -0.457 21.798 -13.312 1.00 0.00 H new ATOM 0 HB THR A 23 0.482 22.709 -16.055 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.471 21.567 -15.661 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.261 23.775 -14.702 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.646 24.225 -14.105 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.607 23.005 -13.236 1.00 0.00 H new ATOM 394 N ASN A 24 -1.696 23.919 -14.412 1.00 0.00 N ATOM 395 CA ASN A 24 -2.833 24.825 -14.746 1.00 0.00 C ATOM 396 C ASN A 24 -2.502 25.640 -15.998 1.00 0.00 C ATOM 397 O ASN A 24 -2.875 26.790 -16.120 1.00 0.00 O ATOM 398 CB ASN A 24 -2.980 25.742 -13.531 1.00 0.00 C ATOM 399 CG ASN A 24 -1.664 26.479 -13.281 1.00 0.00 C ATOM 400 OD1 ASN A 24 -0.708 25.896 -12.809 1.00 0.00 O ATOM 401 ND2 ASN A 24 -1.572 27.746 -13.581 1.00 0.00 N ATOM 0 H ASN A 24 -0.926 24.356 -13.905 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.752 24.278 -14.955 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.784 26.459 -13.699 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.253 25.157 -12.653 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.698 28.246 -13.419 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.374 28.236 -13.977 1.00 0.00 H new ATOM 408 N GLU A 25 -1.802 25.052 -16.929 1.00 0.00 N ATOM 409 CA GLU A 25 -1.445 25.791 -18.174 1.00 0.00 C ATOM 410 C GLU A 25 -2.528 25.592 -19.238 1.00 0.00 C ATOM 411 O GLU A 25 -3.258 24.620 -19.220 1.00 0.00 O ATOM 412 CB GLU A 25 -0.122 25.174 -18.632 1.00 0.00 C ATOM 413 CG GLU A 25 -0.317 23.678 -18.886 1.00 0.00 C ATOM 414 CD GLU A 25 0.196 23.326 -20.283 1.00 0.00 C ATOM 415 OE1 GLU A 25 1.236 23.841 -20.658 1.00 0.00 O ATOM 416 OE2 GLU A 25 -0.460 22.547 -20.955 1.00 0.00 O ATOM 0 H GLU A 25 -1.462 24.092 -16.882 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.359 26.865 -18.008 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.225 25.666 -19.541 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.645 25.328 -17.873 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.218 23.098 -18.134 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.372 23.418 -18.798 1.00 0.00 H new ATOM 423 N PHE A 26 -2.637 26.504 -20.163 1.00 0.00 N ATOM 424 CA PHE A 26 -3.673 26.368 -21.226 1.00 0.00 C ATOM 425 C PHE A 26 -3.008 26.246 -22.600 1.00 0.00 C ATOM 426 O PHE A 26 -3.415 26.876 -23.557 1.00 0.00 O ATOM 427 CB PHE A 26 -4.498 27.654 -21.141 1.00 0.00 C ATOM 428 CG PHE A 26 -5.876 27.406 -21.707 1.00 0.00 C ATOM 429 CD1 PHE A 26 -6.848 26.762 -20.929 1.00 0.00 C ATOM 430 CD2 PHE A 26 -6.183 27.822 -23.008 1.00 0.00 C ATOM 431 CE1 PHE A 26 -8.127 26.534 -21.454 1.00 0.00 C ATOM 432 CE2 PHE A 26 -7.462 27.594 -23.535 1.00 0.00 C ATOM 433 CZ PHE A 26 -8.434 26.949 -22.757 1.00 0.00 C ATOM 0 H PHE A 26 -2.054 27.338 -20.230 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.289 25.479 -21.092 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.573 27.983 -20.105 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.004 28.453 -21.694 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.611 26.442 -19.925 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.434 28.319 -23.606 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -8.876 26.038 -20.855 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.698 27.915 -24.539 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.419 26.772 -23.162 1.00 0.00 H new ATOM 443 N TYR A 27 -1.988 25.438 -22.707 1.00 0.00 N ATOM 444 CA TYR A 27 -1.299 25.276 -24.020 1.00 0.00 C ATOM 445 C TYR A 27 -0.943 23.805 -24.251 1.00 0.00 C ATOM 446 O TYR A 27 0.207 23.454 -24.425 1.00 0.00 O ATOM 447 CB TYR A 27 -0.031 26.123 -23.910 1.00 0.00 C ATOM 448 CG TYR A 27 0.744 26.039 -25.204 1.00 0.00 C ATOM 449 CD1 TYR A 27 0.179 26.523 -26.391 1.00 0.00 C ATOM 450 CD2 TYR A 27 2.026 25.476 -25.216 1.00 0.00 C ATOM 451 CE1 TYR A 27 0.897 26.445 -27.591 1.00 0.00 C ATOM 452 CE2 TYR A 27 2.745 25.398 -26.416 1.00 0.00 C ATOM 453 CZ TYR A 27 2.181 25.883 -27.605 1.00 0.00 C ATOM 454 OH TYR A 27 2.890 25.806 -28.787 1.00 0.00 O ATOM 0 H TYR A 27 -1.602 24.883 -21.943 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.925 25.587 -24.856 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.291 27.160 -23.696 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.584 25.771 -23.082 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.810 26.956 -26.381 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.460 25.102 -24.301 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.461 26.818 -28.506 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.734 24.964 -26.425 1.00 0.00 H new ATOM 0 HH TYR A 27 3.762 25.391 -28.619 1.00 0.00 H new ATOM 464 N ALA A 28 -1.922 22.941 -24.255 1.00 0.00 N ATOM 465 CA ALA A 28 -1.639 21.495 -24.475 1.00 0.00 C ATOM 466 C ALA A 28 -1.507 21.203 -25.972 1.00 0.00 C ATOM 467 O ALA A 28 -1.576 20.041 -26.339 1.00 0.00 O ATOM 468 CB ALA A 28 -2.847 20.763 -23.891 1.00 0.00 C ATOM 469 OXT ALA A 28 -1.340 22.147 -26.727 1.00 0.00 O ATOM 0 H ALA A 28 -2.905 23.175 -24.115 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.706 21.181 -24.007 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.715 19.688 -24.014 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.937 20.999 -22.831 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.751 21.080 -24.411 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 -16.998 -23.500 -0.956 1.00 0.00 N ATOM 477 CA ARG B 1 -18.382 -23.325 -1.486 1.00 0.00 C ATOM 478 C ARG B 1 -18.337 -22.931 -2.965 1.00 0.00 C ATOM 479 O ARG B 1 -18.288 -21.766 -3.306 1.00 0.00 O ATOM 480 CB ARG B 1 -18.987 -22.197 -0.649 1.00 0.00 C ATOM 481 CG ARG B 1 -19.916 -22.790 0.413 1.00 0.00 C ATOM 482 CD ARG B 1 -20.609 -21.659 1.176 1.00 0.00 C ATOM 483 NE ARG B 1 -20.252 -21.883 2.603 1.00 0.00 N ATOM 484 CZ ARG B 1 -19.426 -21.071 3.203 1.00 0.00 C ATOM 485 NH1 ARG B 1 -19.882 -20.012 3.816 1.00 0.00 N ATOM 486 NH2 ARG B 1 -18.145 -21.316 3.190 1.00 0.00 N ATOM 0 H1 ARG B 1 -17.042 -23.767 0.048 1.00 0.00 H new ATOM 0 H2 ARG B 1 -16.513 -24.247 -1.492 1.00 0.00 H new ATOM 0 H3 ARG B 1 -16.473 -22.607 -1.054 1.00 0.00 H new ATOM 0 HA ARG B 1 -18.968 -24.242 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -18.195 -21.619 -0.173 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -19.541 -21.511 -1.290 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -20.659 -23.434 -0.058 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -19.346 -23.412 1.103 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -20.267 -20.683 0.832 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -21.689 -21.688 1.030 1.00 0.00 H new ATOM 0 HE ARG B 1 -20.653 -22.671 3.112 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -20.884 -19.820 3.826 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -19.236 -19.377 4.285 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -17.789 -22.143 2.711 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -17.499 -20.681 3.659 1.00 0.00 H new ATOM 502 N MET B 2 -18.354 -23.894 -3.845 1.00 0.00 N ATOM 503 CA MET B 2 -18.312 -23.574 -5.301 1.00 0.00 C ATOM 504 C MET B 2 -19.556 -24.128 -6.001 1.00 0.00 C ATOM 505 O MET B 2 -20.045 -25.190 -5.670 1.00 0.00 O ATOM 506 CB MET B 2 -17.051 -24.262 -5.822 1.00 0.00 C ATOM 507 CG MET B 2 -16.479 -23.461 -6.992 1.00 0.00 C ATOM 508 SD MET B 2 -15.855 -24.598 -8.255 1.00 0.00 S ATOM 509 CE MET B 2 -14.861 -23.396 -9.172 1.00 0.00 C ATOM 0 H MET B 2 -18.395 -24.888 -3.620 1.00 0.00 H new ATOM 0 HA MET B 2 -18.296 -22.500 -5.487 1.00 0.00 H new ATOM 0 HB2 MET B 2 -16.311 -24.341 -5.025 1.00 0.00 H new ATOM 0 HB3 MET B 2 -17.284 -25.278 -6.142 1.00 0.00 H new ATOM 0 HG2 MET B 2 -17.249 -22.817 -7.416 1.00 0.00 H new ATOM 0 HG3 MET B 2 -15.676 -22.811 -6.644 1.00 0.00 H new ATOM 0 HE1 MET B 2 -14.376 -23.891 -10.013 1.00 0.00 H new ATOM 0 HE2 MET B 2 -15.505 -22.599 -9.543 1.00 0.00 H new ATOM 0 HE3 MET B 2 -14.103 -22.973 -8.513 1.00 0.00 H new ATOM 519 N LYS B 3 -20.071 -23.418 -6.967 1.00 0.00 N ATOM 520 CA LYS B 3 -21.283 -23.905 -7.687 1.00 0.00 C ATOM 521 C LYS B 3 -21.330 -23.319 -9.101 1.00 0.00 C ATOM 522 O LYS B 3 -22.383 -23.177 -9.690 1.00 0.00 O ATOM 523 CB LYS B 3 -22.465 -23.399 -6.860 1.00 0.00 C ATOM 524 CG LYS B 3 -22.396 -21.874 -6.751 1.00 0.00 C ATOM 525 CD LYS B 3 -23.600 -21.362 -5.958 1.00 0.00 C ATOM 526 CE LYS B 3 -24.564 -20.640 -6.903 1.00 0.00 C ATOM 527 NZ LYS B 3 -24.762 -19.295 -6.295 1.00 0.00 N ATOM 0 H LYS B 3 -19.706 -22.522 -7.289 1.00 0.00 H new ATOM 0 HA LYS B 3 -21.292 -24.990 -7.792 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -23.404 -23.699 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -22.445 -23.847 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -21.470 -21.576 -6.259 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -22.386 -21.428 -7.746 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -24.108 -22.194 -5.469 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -23.269 -20.684 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -24.148 -20.562 -7.908 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -25.508 -21.177 -6.990 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -25.412 -18.739 -6.886 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -25.165 -19.401 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -23.847 -18.805 -6.231 1.00 0.00 H new ATOM 541 N LYS B 4 -20.196 -22.979 -9.651 1.00 0.00 N ATOM 542 CA LYS B 4 -20.178 -22.404 -11.027 1.00 0.00 C ATOM 543 C LYS B 4 -18.946 -22.896 -11.791 1.00 0.00 C ATOM 544 O LYS B 4 -18.208 -23.739 -11.321 1.00 0.00 O ATOM 545 CB LYS B 4 -20.114 -20.889 -10.822 1.00 0.00 C ATOM 546 CG LYS B 4 -18.842 -20.532 -10.051 1.00 0.00 C ATOM 547 CD LYS B 4 -18.305 -19.188 -10.548 1.00 0.00 C ATOM 548 CE LYS B 4 -19.073 -18.049 -9.873 1.00 0.00 C ATOM 549 NZ LYS B 4 -19.460 -17.136 -10.983 1.00 0.00 N ATOM 0 H LYS B 4 -19.282 -23.074 -9.208 1.00 0.00 H new ATOM 0 HA LYS B 4 -21.050 -22.700 -11.610 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -20.123 -20.380 -11.786 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -20.992 -20.548 -10.274 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -19.054 -20.479 -8.983 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -18.090 -21.309 -10.188 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -17.241 -19.105 -10.326 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -18.411 -19.120 -11.631 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -19.950 -18.423 -9.345 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -18.453 -17.536 -9.138 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -19.991 -16.329 -10.599 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -18.604 -16.791 -11.463 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -20.055 -17.650 -11.664 1.00 0.00 H new ATOM 563 N LYS B 5 -18.718 -22.375 -12.965 1.00 0.00 N ATOM 564 CA LYS B 5 -17.534 -22.814 -13.759 1.00 0.00 C ATOM 565 C LYS B 5 -17.020 -21.661 -14.627 1.00 0.00 C ATOM 566 O LYS B 5 -17.102 -21.699 -15.838 1.00 0.00 O ATOM 567 CB LYS B 5 -18.048 -23.957 -14.636 1.00 0.00 C ATOM 568 CG LYS B 5 -16.863 -24.746 -15.196 1.00 0.00 C ATOM 569 CD LYS B 5 -17.379 -25.961 -15.969 1.00 0.00 C ATOM 570 CE LYS B 5 -18.032 -25.497 -17.273 1.00 0.00 C ATOM 571 NZ LYS B 5 -17.577 -26.477 -18.300 1.00 0.00 N ATOM 0 H LYS B 5 -19.300 -21.665 -13.409 1.00 0.00 H new ATOM 0 HA LYS B 5 -16.705 -23.127 -13.125 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -18.693 -24.615 -14.053 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -18.652 -23.560 -15.452 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -16.267 -24.111 -15.851 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -16.211 -25.068 -14.384 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -16.557 -26.644 -16.184 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -18.100 -26.511 -15.364 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -19.119 -25.488 -17.189 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -17.724 -24.484 -17.530 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -17.984 -26.226 -19.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -16.539 -26.458 -18.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -17.890 -27.432 -18.032 1.00 0.00 H new ATOM 585 N ASP B 6 -16.491 -20.636 -14.016 1.00 0.00 N ATOM 586 CA ASP B 6 -15.973 -19.483 -14.808 1.00 0.00 C ATOM 587 C ASP B 6 -14.743 -18.879 -14.123 1.00 0.00 C ATOM 588 O ASP B 6 -14.826 -18.348 -13.033 1.00 0.00 O ATOM 589 CB ASP B 6 -17.121 -18.474 -14.836 1.00 0.00 C ATOM 590 CG ASP B 6 -18.042 -18.781 -16.018 1.00 0.00 C ATOM 591 OD1 ASP B 6 -17.535 -19.207 -17.043 1.00 0.00 O ATOM 592 OD2 ASP B 6 -19.238 -18.585 -15.879 1.00 0.00 O ATOM 0 H ASP B 6 -16.395 -20.547 -13.004 1.00 0.00 H new ATOM 0 HA ASP B 6 -15.664 -19.777 -15.811 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -17.682 -18.520 -13.903 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -16.727 -17.461 -14.922 1.00 0.00 H new ATOM 597 N GLU B 7 -13.604 -18.956 -14.755 1.00 0.00 N ATOM 598 CA GLU B 7 -12.369 -18.386 -14.142 1.00 0.00 C ATOM 599 C GLU B 7 -11.518 -17.703 -15.214 1.00 0.00 C ATOM 600 O GLU B 7 -11.363 -18.203 -16.310 1.00 0.00 O ATOM 601 CB GLU B 7 -11.629 -19.586 -13.552 1.00 0.00 C ATOM 602 CG GLU B 7 -11.734 -19.554 -12.026 1.00 0.00 C ATOM 603 CD GLU B 7 -10.533 -20.279 -11.416 1.00 0.00 C ATOM 604 OE1 GLU B 7 -10.003 -21.161 -12.071 1.00 0.00 O ATOM 605 OE2 GLU B 7 -10.165 -19.940 -10.303 1.00 0.00 O ATOM 0 H GLU B 7 -13.474 -19.389 -15.669 1.00 0.00 H new ATOM 0 HA GLU B 7 -12.591 -17.634 -13.385 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -12.054 -20.513 -13.936 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -10.582 -19.565 -13.855 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -11.766 -18.523 -11.675 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -12.661 -20.029 -11.705 1.00 0.00 H new ATOM 612 N GLY B 8 -10.963 -16.561 -14.909 1.00 0.00 N ATOM 613 CA GLY B 8 -10.124 -15.850 -15.914 1.00 0.00 C ATOM 614 C GLY B 8 -8.987 -15.112 -15.207 1.00 0.00 C ATOM 615 O GLY B 8 -9.057 -14.826 -14.027 1.00 0.00 O ATOM 0 H GLY B 8 -11.055 -16.091 -14.008 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -9.717 -16.562 -16.632 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -10.734 -15.144 -16.477 1.00 0.00 H new ATOM 619 N SER B 9 -7.939 -14.800 -15.919 1.00 0.00 N ATOM 620 CA SER B 9 -6.795 -14.079 -15.290 1.00 0.00 C ATOM 621 C SER B 9 -5.894 -13.479 -16.373 1.00 0.00 C ATOM 622 O SER B 9 -5.718 -12.279 -16.453 1.00 0.00 O ATOM 623 CB SER B 9 -6.043 -15.146 -14.496 1.00 0.00 C ATOM 624 OG SER B 9 -5.630 -16.183 -15.377 1.00 0.00 O ATOM 0 H SER B 9 -7.825 -15.013 -16.910 1.00 0.00 H new ATOM 0 HA SER B 9 -7.122 -13.256 -14.655 1.00 0.00 H new ATOM 0 HB2 SER B 9 -5.177 -14.705 -14.003 1.00 0.00 H new ATOM 0 HB3 SER B 9 -6.683 -15.552 -13.713 1.00 0.00 H new ATOM 0 HG SER B 9 -5.146 -16.868 -14.871 1.00 0.00 H new ATOM 630 N TYR B 10 -5.325 -14.304 -17.208 1.00 0.00 N ATOM 631 CA TYR B 10 -4.438 -13.781 -18.288 1.00 0.00 C ATOM 632 C TYR B 10 -3.473 -12.736 -17.723 1.00 0.00 C ATOM 633 O TYR B 10 -3.269 -12.644 -16.529 1.00 0.00 O ATOM 634 CB TYR B 10 -5.386 -13.143 -19.303 1.00 0.00 C ATOM 635 CG TYR B 10 -5.318 -13.904 -20.605 1.00 0.00 C ATOM 636 CD1 TYR B 10 -5.629 -15.270 -20.636 1.00 0.00 C ATOM 637 CD2 TYR B 10 -4.944 -13.245 -21.785 1.00 0.00 C ATOM 638 CE1 TYR B 10 -5.568 -15.977 -21.845 1.00 0.00 C ATOM 639 CE2 TYR B 10 -4.883 -13.951 -22.993 1.00 0.00 C ATOM 640 CZ TYR B 10 -5.195 -15.316 -23.023 1.00 0.00 C ATOM 641 OH TYR B 10 -5.134 -16.012 -24.214 1.00 0.00 O ATOM 0 H TYR B 10 -5.435 -15.318 -17.190 1.00 0.00 H new ATOM 0 HA TYR B 10 -3.827 -14.565 -18.736 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -6.406 -13.150 -18.918 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -5.114 -12.100 -19.465 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -5.916 -15.779 -19.728 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -4.703 -12.193 -21.762 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.808 -17.030 -21.869 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -4.595 -13.443 -23.901 1.00 0.00 H new ATOM 0 HH TYR B 10 -4.860 -15.406 -24.934 1.00 0.00 H new ATOM 651 N ASP B 11 -2.878 -11.946 -18.574 1.00 0.00 N ATOM 652 CA ASP B 11 -1.926 -10.907 -18.089 1.00 0.00 C ATOM 653 C ASP B 11 -2.671 -9.605 -17.786 1.00 0.00 C ATOM 654 O ASP B 11 -2.715 -8.701 -18.596 1.00 0.00 O ATOM 655 CB ASP B 11 -0.941 -10.704 -19.240 1.00 0.00 C ATOM 656 CG ASP B 11 0.401 -11.346 -18.885 1.00 0.00 C ATOM 657 OD1 ASP B 11 0.552 -12.531 -19.135 1.00 0.00 O ATOM 658 OD2 ASP B 11 1.254 -10.643 -18.368 1.00 0.00 O ATOM 0 H ASP B 11 -3.010 -11.975 -19.585 1.00 0.00 H new ATOM 0 HA ASP B 11 -1.423 -11.206 -17.169 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -1.337 -11.147 -20.154 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -0.807 -9.640 -19.434 1.00 0.00 H new ATOM 663 N LEU B 12 -3.260 -9.503 -16.625 1.00 0.00 N ATOM 664 CA LEU B 12 -4.002 -8.262 -16.273 1.00 0.00 C ATOM 665 C LEU B 12 -4.323 -8.241 -14.775 1.00 0.00 C ATOM 666 O LEU B 12 -4.757 -9.225 -14.209 1.00 0.00 O ATOM 667 CB LEU B 12 -5.285 -8.327 -17.099 1.00 0.00 C ATOM 668 CG LEU B 12 -6.034 -6.999 -16.986 1.00 0.00 C ATOM 669 CD1 LEU B 12 -7.041 -6.882 -18.132 1.00 0.00 C ATOM 670 CD2 LEU B 12 -6.777 -6.946 -15.649 1.00 0.00 C ATOM 0 H LEU B 12 -3.258 -10.227 -15.906 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.426 -7.360 -16.482 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.048 -8.535 -18.142 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -5.916 -9.143 -16.747 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.323 -6.175 -17.041 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.575 -5.935 -18.052 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.514 -6.921 -19.085 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -7.753 -7.706 -18.077 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -7.312 -6.000 -15.567 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -7.488 -7.770 -15.595 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -6.061 -7.030 -14.831 1.00 0.00 H new ATOM 682 N GLY B 13 -4.117 -7.124 -14.132 1.00 0.00 N ATOM 683 CA GLY B 13 -4.411 -7.037 -12.673 1.00 0.00 C ATOM 684 C GLY B 13 -4.573 -5.569 -12.274 1.00 0.00 C ATOM 685 O GLY B 13 -5.524 -5.195 -11.616 1.00 0.00 O ATOM 0 H GLY B 13 -3.758 -6.268 -14.554 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -5.320 -7.591 -12.440 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -3.604 -7.494 -12.100 1.00 0.00 H new ATOM 689 N LYS B 14 -3.651 -4.733 -12.670 1.00 0.00 N ATOM 690 CA LYS B 14 -3.751 -3.288 -12.317 1.00 0.00 C ATOM 691 C LYS B 14 -4.144 -2.471 -13.550 1.00 0.00 C ATOM 692 O LYS B 14 -4.027 -2.928 -14.670 1.00 0.00 O ATOM 693 CB LYS B 14 -2.352 -2.900 -11.839 1.00 0.00 C ATOM 694 CG LYS B 14 -2.390 -2.593 -10.340 1.00 0.00 C ATOM 695 CD LYS B 14 -2.591 -3.892 -9.558 1.00 0.00 C ATOM 696 CE LYS B 14 -1.517 -4.007 -8.475 1.00 0.00 C ATOM 697 NZ LYS B 14 -2.199 -4.669 -7.328 1.00 0.00 N ATOM 0 H LYS B 14 -2.833 -4.989 -13.223 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.508 -3.099 -11.556 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -1.651 -3.711 -12.037 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -1.997 -2.029 -12.390 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -1.462 -2.111 -10.033 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -3.199 -1.896 -10.121 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -3.582 -3.907 -9.105 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -2.536 -4.747 -10.232 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -0.667 -4.595 -8.822 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -1.133 -3.026 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -1.526 -4.784 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -2.999 -4.083 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -2.548 -5.603 -7.624 1.00 0.00 H new ATOM 711 N LYS B 15 -4.612 -1.268 -13.357 1.00 0.00 N ATOM 712 CA LYS B 15 -5.012 -0.430 -14.524 1.00 0.00 C ATOM 713 C LYS B 15 -4.276 0.912 -14.495 1.00 0.00 C ATOM 714 O LYS B 15 -3.990 1.440 -13.439 1.00 0.00 O ATOM 715 CB LYS B 15 -6.519 -0.223 -14.367 1.00 0.00 C ATOM 716 CG LYS B 15 -6.806 0.426 -13.012 1.00 0.00 C ATOM 717 CD LYS B 15 -8.294 0.763 -12.912 1.00 0.00 C ATOM 718 CE LYS B 15 -8.598 1.327 -11.523 1.00 0.00 C ATOM 719 NZ LYS B 15 -9.406 0.272 -10.850 1.00 0.00 N ATOM 0 H LYS B 15 -4.735 -0.830 -12.444 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.764 -0.903 -15.474 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.896 0.408 -15.172 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -7.038 -1.179 -14.442 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -6.520 -0.250 -12.206 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -6.209 1.331 -12.896 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -8.565 1.489 -13.678 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -8.893 -0.130 -13.093 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -7.681 1.535 -10.971 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -9.149 2.265 -11.589 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -9.655 0.585 -9.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -10.276 0.101 -11.394 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -8.853 -0.607 -10.795 1.00 0.00 H new ATOM 733 N PRO B 16 -3.995 1.413 -15.666 1.00 0.00 N ATOM 734 CA PRO B 16 -3.280 2.707 -15.791 1.00 0.00 C ATOM 735 C PRO B 16 -4.208 3.871 -15.434 1.00 0.00 C ATOM 736 O PRO B 16 -5.109 4.209 -16.175 1.00 0.00 O ATOM 737 CB PRO B 16 -2.887 2.757 -17.264 1.00 0.00 C ATOM 738 CG PRO B 16 -3.879 1.880 -17.961 1.00 0.00 C ATOM 739 CD PRO B 16 -4.312 0.828 -16.973 1.00 0.00 C ATOM 0 HA PRO B 16 -2.423 2.789 -15.122 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -2.924 3.777 -17.648 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.869 2.397 -17.413 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.734 2.462 -18.303 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -3.433 1.420 -18.843 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -5.376 0.609 -17.064 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.779 -0.110 -17.130 1.00 0.00 H new ATOM 747 N ILE B 17 -3.992 4.488 -14.304 1.00 0.00 N ATOM 748 CA ILE B 17 -4.855 5.628 -13.901 1.00 0.00 C ATOM 749 C ILE B 17 -4.101 6.949 -14.074 1.00 0.00 C ATOM 750 O ILE B 17 -4.048 7.766 -13.177 1.00 0.00 O ATOM 751 CB ILE B 17 -5.176 5.381 -12.426 1.00 0.00 C ATOM 752 CG1 ILE B 17 -5.608 3.925 -12.238 1.00 0.00 C ATOM 753 CG2 ILE B 17 -6.312 6.308 -11.989 1.00 0.00 C ATOM 754 CD1 ILE B 17 -4.636 3.225 -11.286 1.00 0.00 C ATOM 0 H ILE B 17 -3.253 4.249 -13.643 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.758 5.697 -14.507 1.00 0.00 H new ATOM 0 HB ILE B 17 -4.291 5.581 -11.822 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -6.621 3.884 -11.837 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -5.625 3.412 -13.200 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -6.541 6.132 -10.938 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -6.008 7.346 -12.126 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.198 6.107 -12.592 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -4.942 2.188 -11.151 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -3.631 3.255 -11.706 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.642 3.733 -10.322 1.00 0.00 H new ATOM 766 N TYR B 18 -3.515 7.162 -15.221 1.00 0.00 N ATOM 767 CA TYR B 18 -2.763 8.429 -15.450 1.00 0.00 C ATOM 768 C TYR B 18 -3.731 9.611 -15.549 1.00 0.00 C ATOM 769 O TYR B 18 -4.123 10.016 -16.626 1.00 0.00 O ATOM 770 CB TYR B 18 -2.029 8.222 -16.776 1.00 0.00 C ATOM 771 CG TYR B 18 -0.601 8.691 -16.640 1.00 0.00 C ATOM 772 CD1 TYR B 18 -0.298 9.786 -15.819 1.00 0.00 C ATOM 773 CD2 TYR B 18 0.422 8.031 -17.335 1.00 0.00 C ATOM 774 CE1 TYR B 18 1.028 10.221 -15.694 1.00 0.00 C ATOM 775 CE2 TYR B 18 1.748 8.467 -17.209 1.00 0.00 C ATOM 776 CZ TYR B 18 2.051 9.562 -16.388 1.00 0.00 C ATOM 777 OH TYR B 18 3.357 9.991 -16.265 1.00 0.00 O ATOM 0 H TYR B 18 -3.524 6.514 -16.009 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.075 8.652 -14.635 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -2.052 7.169 -17.056 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.530 8.774 -17.571 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.086 10.294 -15.283 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.188 7.187 -17.967 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.262 11.065 -15.062 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.537 7.959 -17.745 1.00 0.00 H new ATOM 0 HH TYR B 18 3.940 9.424 -16.811 1.00 0.00 H new ATOM 787 N LYS B 19 -4.117 10.167 -14.434 1.00 0.00 N ATOM 788 CA LYS B 19 -5.057 11.324 -14.462 1.00 0.00 C ATOM 789 C LYS B 19 -4.922 12.142 -13.175 1.00 0.00 C ATOM 790 O LYS B 19 -5.847 12.808 -12.752 1.00 0.00 O ATOM 791 CB LYS B 19 -6.450 10.702 -14.560 1.00 0.00 C ATOM 792 CG LYS B 19 -7.438 11.744 -15.089 1.00 0.00 C ATOM 793 CD LYS B 19 -8.778 11.070 -15.397 1.00 0.00 C ATOM 794 CE LYS B 19 -8.981 11.007 -16.913 1.00 0.00 C ATOM 795 NZ LYS B 19 -10.391 10.563 -17.093 1.00 0.00 N ATOM 0 H LYS B 19 -3.822 9.870 -13.504 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.856 12.001 -15.292 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -6.428 9.837 -15.223 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -6.770 10.345 -13.581 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -7.578 12.535 -14.352 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -7.040 12.214 -15.989 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -8.797 10.065 -14.975 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -9.592 11.627 -14.933 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -8.811 11.979 -17.375 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -8.285 10.308 -17.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -10.607 10.496 -18.108 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -10.521 9.632 -16.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -11.031 11.251 -16.648 1.00 0.00 H new ATOM 809 N LYS B 20 -3.778 12.097 -12.550 1.00 0.00 N ATOM 810 CA LYS B 20 -3.584 12.871 -11.290 1.00 0.00 C ATOM 811 C LYS B 20 -3.869 14.356 -11.529 1.00 0.00 C ATOM 812 O LYS B 20 -3.452 14.928 -12.517 1.00 0.00 O ATOM 813 CB LYS B 20 -2.116 12.661 -10.917 1.00 0.00 C ATOM 814 CG LYS B 20 -1.945 12.820 -9.406 1.00 0.00 C ATOM 815 CD LYS B 20 -1.560 11.473 -8.791 1.00 0.00 C ATOM 816 CE LYS B 20 -2.268 11.305 -7.444 1.00 0.00 C ATOM 817 NZ LYS B 20 -1.424 10.341 -6.684 1.00 0.00 N ATOM 0 H LYS B 20 -2.968 11.558 -12.857 1.00 0.00 H new ATOM 0 HA LYS B 20 -4.257 12.543 -10.498 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -1.789 11.669 -11.228 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -1.490 13.382 -11.442 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -1.176 13.562 -9.193 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -2.871 13.184 -8.961 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -1.838 10.662 -9.464 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -0.480 11.419 -8.655 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -2.350 12.257 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -3.281 10.925 -7.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -1.845 10.174 -5.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -1.370 9.442 -7.204 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -0.467 10.733 -6.569 1.00 0.00 H new ATOM 831 N ALA B 21 -4.575 14.985 -10.630 1.00 0.00 N ATOM 832 CA ALA B 21 -4.885 16.434 -10.800 1.00 0.00 C ATOM 833 C ALA B 21 -4.485 17.206 -9.541 1.00 0.00 C ATOM 834 O ALA B 21 -5.325 17.736 -8.842 1.00 0.00 O ATOM 835 CB ALA B 21 -6.398 16.496 -11.009 1.00 0.00 C ATOM 0 H ALA B 21 -4.951 14.558 -9.784 1.00 0.00 H new ATOM 0 HA ALA B 21 -4.342 16.879 -11.634 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -6.705 17.533 -11.142 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -6.667 15.922 -11.896 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -6.903 16.077 -10.139 1.00 0.00 H new ATOM 841 N PRO B 22 -3.203 17.238 -9.294 1.00 0.00 N ATOM 842 CA PRO B 22 -2.674 17.946 -8.104 1.00 0.00 C ATOM 843 C PRO B 22 -2.755 19.462 -8.300 1.00 0.00 C ATOM 844 O PRO B 22 -2.524 20.230 -7.386 1.00 0.00 O ATOM 845 CB PRO B 22 -1.223 17.481 -8.027 1.00 0.00 C ATOM 846 CG PRO B 22 -0.868 17.081 -9.424 1.00 0.00 C ATOM 847 CD PRO B 22 -2.139 16.623 -10.093 1.00 0.00 C ATOM 0 HA PRO B 22 -3.234 17.731 -7.194 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -0.572 18.278 -7.668 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -1.113 16.644 -7.337 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -0.429 17.920 -9.965 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -0.126 16.282 -9.419 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -2.182 16.948 -11.133 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -2.219 15.536 -10.095 1.00 0.00 H new ATOM 855 N THR B 23 -3.085 19.897 -9.483 1.00 0.00 N ATOM 856 CA THR B 23 -3.184 21.362 -9.741 1.00 0.00 C ATOM 857 C THR B 23 -1.947 22.083 -9.195 1.00 0.00 C ATOM 858 O THR B 23 -1.035 21.467 -8.681 1.00 0.00 O ATOM 859 CB THR B 23 -4.439 21.810 -8.990 1.00 0.00 C ATOM 860 OG1 THR B 23 -5.423 20.788 -9.062 1.00 0.00 O ATOM 861 CG2 THR B 23 -4.984 23.092 -9.622 1.00 0.00 C ATOM 0 H THR B 23 -3.291 19.301 -10.285 1.00 0.00 H new ATOM 0 HA THR B 23 -3.239 21.591 -10.805 1.00 0.00 H new ATOM 0 HB THR B 23 -4.189 22.000 -7.946 1.00 0.00 H new ATOM 0 HG1 THR B 23 -6.227 21.073 -8.580 1.00 0.00 H new ATOM 0 HG21 THR B 23 -5.878 23.410 -9.086 1.00 0.00 H new ATOM 0 HG22 THR B 23 -4.228 23.876 -9.565 1.00 0.00 H new ATOM 0 HG23 THR B 23 -5.234 22.905 -10.666 1.00 0.00 H new ATOM 869 N ASN B 24 -1.912 23.383 -9.300 1.00 0.00 N ATOM 870 CA ASN B 24 -0.737 24.142 -8.784 1.00 0.00 C ATOM 871 C ASN B 24 -1.049 24.714 -7.400 1.00 0.00 C ATOM 872 O ASN B 24 -0.617 25.796 -7.051 1.00 0.00 O ATOM 873 CB ASN B 24 -0.514 25.267 -9.794 1.00 0.00 C ATOM 874 CG ASN B 24 -1.785 26.112 -9.908 1.00 0.00 C ATOM 875 OD1 ASN B 24 -2.760 25.687 -10.495 1.00 0.00 O ATOM 876 ND2 ASN B 24 -1.815 27.300 -9.368 1.00 0.00 N ATOM 0 H ASN B 24 -2.646 23.953 -9.721 1.00 0.00 H new ATOM 0 HA ASN B 24 0.147 23.514 -8.677 1.00 0.00 H new ATOM 0 HB2 ASN B 24 0.323 25.891 -9.480 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.254 24.850 -10.767 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -2.657 27.871 -9.439 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -0.996 27.657 -8.875 1.00 0.00 H new ATOM 883 N GLU B 25 -1.800 23.997 -6.608 1.00 0.00 N ATOM 884 CA GLU B 25 -2.144 24.500 -5.247 1.00 0.00 C ATOM 885 C GLU B 25 -1.096 24.037 -4.231 1.00 0.00 C ATOM 886 O GLU B 25 -0.419 23.047 -4.429 1.00 0.00 O ATOM 887 CB GLU B 25 -3.507 23.882 -4.933 1.00 0.00 C ATOM 888 CG GLU B 25 -3.400 22.357 -4.973 1.00 0.00 C ATOM 889 CD GLU B 25 -3.958 21.770 -3.676 1.00 0.00 C ATOM 890 OE1 GLU B 25 -4.977 22.261 -3.218 1.00 0.00 O ATOM 891 OE2 GLU B 25 -3.359 20.840 -3.162 1.00 0.00 O ATOM 0 H GLU B 25 -2.190 23.085 -6.845 1.00 0.00 H new ATOM 0 HA GLU B 25 -2.169 25.589 -5.201 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.847 24.207 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.248 24.224 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -3.951 21.966 -5.828 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -2.360 22.058 -5.101 1.00 0.00 H new ATOM 898 N PHE B 26 -0.957 24.745 -3.144 1.00 0.00 N ATOM 899 CA PHE B 26 0.048 24.346 -2.117 1.00 0.00 C ATOM 900 C PHE B 26 -0.652 23.996 -0.801 1.00 0.00 C ATOM 901 O PHE B 26 -0.232 24.403 0.264 1.00 0.00 O ATOM 902 CB PHE B 26 0.941 25.575 -1.940 1.00 0.00 C ATOM 903 CG PHE B 26 2.292 25.144 -1.420 1.00 0.00 C ATOM 904 CD1 PHE B 26 3.243 24.609 -2.299 1.00 0.00 C ATOM 905 CD2 PHE B 26 2.594 25.280 -0.058 1.00 0.00 C ATOM 906 CE1 PHE B 26 4.496 24.210 -1.816 1.00 0.00 C ATOM 907 CE2 PHE B 26 3.847 24.882 0.425 1.00 0.00 C ATOM 908 CZ PHE B 26 4.799 24.346 -0.454 1.00 0.00 C ATOM 0 H PHE B 26 -1.495 25.582 -2.922 1.00 0.00 H new ATOM 0 HA PHE B 26 0.619 23.467 -2.416 1.00 0.00 H new ATOM 0 HB2 PHE B 26 1.054 26.096 -2.891 1.00 0.00 H new ATOM 0 HB3 PHE B 26 0.479 26.277 -1.246 1.00 0.00 H new ATOM 0 HD1 PHE B 26 3.010 24.504 -3.348 1.00 0.00 H new ATOM 0 HD2 PHE B 26 1.860 25.692 0.619 1.00 0.00 H new ATOM 0 HE1 PHE B 26 5.229 23.797 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE B 26 4.080 24.988 1.474 1.00 0.00 H new ATOM 0 HZ PHE B 26 5.765 24.038 -0.082 1.00 0.00 H new ATOM 918 N TYR B 27 -1.716 23.243 -0.865 1.00 0.00 N ATOM 919 CA TYR B 27 -2.439 22.868 0.384 1.00 0.00 C ATOM 920 C TYR B 27 -2.879 21.402 0.320 1.00 0.00 C ATOM 921 O TYR B 27 -4.050 21.091 0.410 1.00 0.00 O ATOM 922 CB TYR B 27 -3.657 23.790 0.430 1.00 0.00 C ATOM 923 CG TYR B 27 -4.463 23.500 1.674 1.00 0.00 C ATOM 924 CD1 TYR B 27 -3.899 23.712 2.939 1.00 0.00 C ATOM 925 CD2 TYR B 27 -5.774 23.019 1.563 1.00 0.00 C ATOM 926 CE1 TYR B 27 -4.647 23.443 4.093 1.00 0.00 C ATOM 927 CE2 TYR B 27 -6.521 22.750 2.717 1.00 0.00 C ATOM 928 CZ TYR B 27 -5.958 22.962 3.982 1.00 0.00 C ATOM 929 OH TYR B 27 -6.694 22.698 5.119 1.00 0.00 O ATOM 0 H TYR B 27 -2.116 22.872 -1.727 1.00 0.00 H new ATOM 0 HA TYR B 27 -1.814 22.975 1.270 1.00 0.00 H new ATOM 0 HB2 TYR B 27 -3.338 24.832 0.426 1.00 0.00 H new ATOM 0 HB3 TYR B 27 -4.272 23.642 -0.457 1.00 0.00 H new ATOM 0 HD1 TYR B 27 -2.888 24.083 3.025 1.00 0.00 H new ATOM 0 HD2 TYR B 27 -6.209 22.856 0.588 1.00 0.00 H new ATOM 0 HE1 TYR B 27 -4.213 23.607 5.068 1.00 0.00 H new ATOM 0 HE2 TYR B 27 -7.532 22.379 2.631 1.00 0.00 H new ATOM 0 HH TYR B 27 -7.583 22.372 4.865 1.00 0.00 H new ATOM 939 N ALA B 28 -1.948 20.501 0.165 1.00 0.00 N ATOM 940 CA ALA B 28 -2.312 19.056 0.096 1.00 0.00 C ATOM 941 C ALA B 28 -2.492 18.488 1.506 1.00 0.00 C ATOM 942 O ALA B 28 -2.492 17.275 1.638 1.00 0.00 O ATOM 943 CB ALA B 28 -1.134 18.385 -0.608 1.00 0.00 C ATOM 944 OXT ALA B 28 -2.626 19.275 2.428 1.00 0.00 O ATOM 0 H ALA B 28 -0.951 20.702 0.083 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.250 18.890 -0.433 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.325 17.316 -0.698 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.010 18.816 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.225 18.543 -0.028 1.00 0.00 H new TER 950 ALA B 28