USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=16 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+ -159:sc= -0.136 (180deg=-1.16!) 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 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+ 160:sc= -0.282 (180deg=-1.58!) USER MOD Single : A 23 THR OG1 : rot 3:sc= 0.498 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.33! C(o=-2.1!,f=-1.3!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ -158:sc= -0.167 (180deg=-1.31!) 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 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+ 156:sc= -0.276 (180deg=-1.56!) USER MOD Single : B 23 THR OG1 : rot 7:sc= 0.619 USER MOD Single : B 24 ASN :FLIP amide:sc= -1.51! C(o=-2.1!,f=-1.5!) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 0.070 -31.751 -38.855 1.00 0.00 N ATOM 2 CA ARG A 1 0.057 -31.446 -37.396 1.00 0.00 C ATOM 3 C ARG A 1 -1.286 -30.829 -36.996 1.00 0.00 C ATOM 4 O ARG A 1 -1.556 -29.676 -37.268 1.00 0.00 O ATOM 5 CB ARG A 1 1.191 -30.439 -37.191 1.00 0.00 C ATOM 6 CG ARG A 1 2.447 -30.932 -37.912 1.00 0.00 C ATOM 7 CD ARG A 1 3.646 -30.079 -37.491 1.00 0.00 C ATOM 8 NE ARG A 1 4.682 -30.331 -38.531 1.00 0.00 N ATOM 9 CZ ARG A 1 5.905 -29.916 -38.348 1.00 0.00 C ATOM 10 NH1 ARG A 1 6.733 -30.621 -37.628 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.300 -28.794 -38.886 1.00 0.00 N ATOM 0 H1 ARG A 1 0.798 -32.467 -39.054 1.00 0.00 H new ATOM 0 H2 ARG A 1 -0.861 -32.115 -39.142 1.00 0.00 H new ATOM 0 H3 ARG A 1 0.282 -30.884 -39.389 1.00 0.00 H new ATOM 0 HA ARG A 1 0.190 -32.340 -36.787 1.00 0.00 H new ATOM 0 HB2 ARG A 1 0.898 -29.462 -37.575 1.00 0.00 H new ATOM 0 HB3 ARG A 1 1.394 -30.315 -36.127 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.630 -31.979 -37.671 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.306 -30.873 -38.991 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.382 -29.022 -37.445 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.004 -30.362 -36.501 1.00 0.00 H new ATOM 0 HE ARG A 1 4.435 -30.828 -39.387 1.00 0.00 H new ATOM 0 HH11 ARG A 1 6.424 -31.498 -37.208 1.00 0.00 H new ATOM 0 HH12 ARG A 1 7.689 -30.296 -37.485 1.00 0.00 H new ATOM 0 HH21 ARG A 1 5.652 -28.243 -39.449 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.256 -28.469 -38.743 1.00 0.00 H new ATOM 27 N MET A 2 -2.130 -31.589 -36.353 1.00 0.00 N ATOM 28 CA MET A 2 -3.455 -31.046 -35.937 1.00 0.00 C ATOM 29 C MET A 2 -3.992 -31.824 -34.733 1.00 0.00 C ATOM 30 O MET A 2 -4.340 -32.982 -34.836 1.00 0.00 O ATOM 31 CB MET A 2 -4.362 -31.243 -37.152 1.00 0.00 C ATOM 32 CG MET A 2 -3.862 -30.378 -38.310 1.00 0.00 C ATOM 33 SD MET A 2 -5.142 -30.279 -39.586 1.00 0.00 S ATOM 34 CE MET A 2 -4.176 -29.357 -40.805 1.00 0.00 C ATOM 0 H MET A 2 -1.960 -32.562 -36.098 1.00 0.00 H new ATOM 0 HA MET A 2 -3.397 -30.000 -35.637 1.00 0.00 H new ATOM 0 HB2 MET A 2 -4.371 -32.293 -37.446 1.00 0.00 H new ATOM 0 HB3 MET A 2 -5.388 -30.974 -36.900 1.00 0.00 H new ATOM 0 HG2 MET A 2 -3.613 -29.379 -37.951 1.00 0.00 H new ATOM 0 HG3 MET A 2 -2.949 -30.803 -38.728 1.00 0.00 H new ATOM 0 HE1 MET A 2 -4.783 -29.181 -41.693 1.00 0.00 H new ATOM 0 HE2 MET A 2 -3.870 -28.401 -40.379 1.00 0.00 H new ATOM 0 HE3 MET A 2 -3.291 -29.932 -41.079 1.00 0.00 H new ATOM 44 N LYS A 3 -4.060 -31.195 -33.591 1.00 0.00 N ATOM 45 CA LYS A 3 -4.574 -31.900 -32.382 1.00 0.00 C ATOM 46 C LYS A 3 -5.891 -31.269 -31.922 1.00 0.00 C ATOM 47 O LYS A 3 -6.515 -30.515 -32.642 1.00 0.00 O ATOM 48 CB LYS A 3 -3.490 -31.709 -31.321 1.00 0.00 C ATOM 49 CG LYS A 3 -2.268 -32.558 -31.681 1.00 0.00 C ATOM 50 CD LYS A 3 -2.057 -33.629 -30.608 1.00 0.00 C ATOM 51 CE LYS A 3 -2.124 -35.015 -31.251 1.00 0.00 C ATOM 52 NZ LYS A 3 -0.854 -35.685 -30.852 1.00 0.00 N ATOM 0 H LYS A 3 -3.782 -30.225 -33.443 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.776 -32.954 -32.574 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.210 -30.658 -31.257 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.870 -31.997 -30.341 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.411 -33.027 -32.655 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.383 -31.926 -31.759 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.091 -33.488 -30.123 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.819 -33.538 -29.834 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.992 -35.572 -30.899 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.209 -34.944 -32.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.825 -36.643 -31.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.045 -35.136 -31.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.804 -35.745 -29.815 1.00 0.00 H new ATOM 66 N LYS A 4 -6.320 -31.573 -30.727 1.00 0.00 N ATOM 67 CA LYS A 4 -7.597 -30.990 -30.224 1.00 0.00 C ATOM 68 C LYS A 4 -7.539 -30.825 -28.702 1.00 0.00 C ATOM 69 O LYS A 4 -8.324 -31.400 -27.975 1.00 0.00 O ATOM 70 CB LYS A 4 -8.675 -32.003 -30.611 1.00 0.00 C ATOM 71 CG LYS A 4 -8.469 -32.437 -32.064 1.00 0.00 C ATOM 72 CD LYS A 4 -9.593 -33.387 -32.478 1.00 0.00 C ATOM 73 CE LYS A 4 -9.298 -33.954 -33.869 1.00 0.00 C ATOM 74 NZ LYS A 4 -10.305 -35.034 -34.065 1.00 0.00 N ATOM 0 H LYS A 4 -5.842 -32.199 -30.078 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.794 -30.004 -30.644 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.629 -32.869 -29.951 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.664 -31.562 -30.489 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.457 -31.564 -32.717 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.503 -32.930 -32.174 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.683 -34.198 -31.755 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.546 -32.858 -32.484 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.389 -33.185 -34.636 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.282 -34.345 -33.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.167 -35.472 -34.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.190 -35.755 -33.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.262 -34.631 -34.010 1.00 0.00 H new ATOM 88 N LYS A 5 -6.614 -30.044 -28.217 1.00 0.00 N ATOM 89 CA LYS A 5 -6.506 -29.843 -26.743 1.00 0.00 C ATOM 90 C LYS A 5 -5.473 -28.756 -26.431 1.00 0.00 C ATOM 91 O LYS A 5 -4.332 -28.834 -26.841 1.00 0.00 O ATOM 92 CB LYS A 5 -6.046 -31.193 -26.191 1.00 0.00 C ATOM 93 CG LYS A 5 -4.878 -31.716 -27.029 1.00 0.00 C ATOM 94 CD LYS A 5 -4.534 -33.142 -26.591 1.00 0.00 C ATOM 95 CE LYS A 5 -4.884 -34.120 -27.714 1.00 0.00 C ATOM 96 NZ LYS A 5 -5.753 -35.145 -27.073 1.00 0.00 N ATOM 0 H LYS A 5 -5.928 -29.536 -28.776 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.449 -29.522 -26.301 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.742 -31.087 -25.150 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.870 -31.906 -26.212 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.141 -31.702 -28.087 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.010 -31.068 -26.908 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.473 -33.214 -26.350 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.085 -33.399 -25.686 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.403 -33.616 -28.529 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.987 -34.572 -28.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.035 -35.853 -27.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.230 -35.613 -26.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.602 -34.687 -26.684 1.00 0.00 H new ATOM 110 N ASP A 6 -5.865 -27.742 -25.708 1.00 0.00 N ATOM 111 CA ASP A 6 -4.905 -26.651 -25.372 1.00 0.00 C ATOM 112 C ASP A 6 -5.429 -25.831 -24.191 1.00 0.00 C ATOM 113 O ASP A 6 -6.462 -26.130 -23.624 1.00 0.00 O ATOM 114 CB ASP A 6 -4.828 -25.788 -26.631 1.00 0.00 C ATOM 115 CG ASP A 6 -3.591 -26.178 -27.442 1.00 0.00 C ATOM 116 OD1 ASP A 6 -2.709 -26.802 -26.878 1.00 0.00 O ATOM 117 OD2 ASP A 6 -3.546 -25.845 -28.616 1.00 0.00 O ATOM 0 H ASP A 6 -6.807 -27.622 -25.336 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.927 -27.037 -25.082 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.727 -25.922 -27.232 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.780 -24.733 -26.360 1.00 0.00 H new ATOM 122 N GLU A 7 -4.725 -24.800 -23.813 1.00 0.00 N ATOM 123 CA GLU A 7 -5.184 -23.961 -22.668 1.00 0.00 C ATOM 124 C GLU A 7 -4.216 -22.796 -22.443 1.00 0.00 C ATOM 125 O GLU A 7 -3.063 -22.853 -22.823 1.00 0.00 O ATOM 126 CB GLU A 7 -5.183 -24.902 -21.464 1.00 0.00 C ATOM 127 CG GLU A 7 -6.623 -25.175 -21.026 1.00 0.00 C ATOM 128 CD GLU A 7 -6.721 -26.584 -20.442 1.00 0.00 C ATOM 129 OE1 GLU A 7 -5.689 -27.219 -20.301 1.00 0.00 O ATOM 130 OE2 GLU A 7 -7.827 -27.006 -20.146 1.00 0.00 O ATOM 0 H GLU A 7 -3.852 -24.501 -24.247 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.167 -23.525 -22.843 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.687 -25.838 -21.721 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.620 -24.458 -20.643 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.934 -24.440 -20.284 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.298 -25.075 -21.876 1.00 0.00 H new ATOM 137 N GLY A 8 -4.675 -21.741 -21.828 1.00 0.00 N ATOM 138 CA GLY A 8 -3.780 -20.576 -21.578 1.00 0.00 C ATOM 139 C GLY A 8 -4.459 -19.607 -20.610 1.00 0.00 C ATOM 140 O GLY A 8 -5.014 -18.603 -21.008 1.00 0.00 O ATOM 0 H GLY A 8 -5.631 -21.635 -21.488 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.831 -20.916 -21.163 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.554 -20.070 -22.517 1.00 0.00 H new ATOM 144 N SER A 9 -4.422 -19.902 -19.338 1.00 0.00 N ATOM 145 CA SER A 9 -5.066 -19.001 -18.346 1.00 0.00 C ATOM 146 C SER A 9 -4.287 -17.688 -18.234 1.00 0.00 C ATOM 147 O SER A 9 -3.818 -17.322 -17.174 1.00 0.00 O ATOM 148 CB SER A 9 -5.019 -19.768 -17.025 1.00 0.00 C ATOM 149 OG SER A 9 -6.139 -20.639 -16.946 1.00 0.00 O ATOM 0 H SER A 9 -3.973 -20.729 -18.945 1.00 0.00 H new ATOM 0 HA SER A 9 -6.085 -18.739 -18.629 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.094 -20.340 -16.956 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.026 -19.071 -16.187 1.00 0.00 H new ATOM 0 HG SER A 9 -6.110 -21.133 -16.100 1.00 0.00 H new ATOM 155 N TYR A 10 -4.143 -16.978 -19.319 1.00 0.00 N ATOM 156 CA TYR A 10 -3.392 -15.689 -19.273 1.00 0.00 C ATOM 157 C TYR A 10 -4.361 -14.510 -19.385 1.00 0.00 C ATOM 158 O TYR A 10 -5.431 -14.624 -19.952 1.00 0.00 O ATOM 159 CB TYR A 10 -2.458 -15.733 -20.482 1.00 0.00 C ATOM 160 CG TYR A 10 -3.273 -15.685 -21.752 1.00 0.00 C ATOM 161 CD1 TYR A 10 -3.678 -14.452 -22.277 1.00 0.00 C ATOM 162 CD2 TYR A 10 -3.625 -16.872 -22.403 1.00 0.00 C ATOM 163 CE1 TYR A 10 -4.434 -14.407 -23.454 1.00 0.00 C ATOM 164 CE2 TYR A 10 -4.381 -16.828 -23.581 1.00 0.00 C ATOM 165 CZ TYR A 10 -4.785 -15.595 -24.107 1.00 0.00 C ATOM 166 OH TYR A 10 -5.530 -15.551 -25.267 1.00 0.00 O ATOM 0 H TYR A 10 -4.512 -17.233 -20.235 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.844 -15.562 -18.339 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.765 -14.892 -20.450 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.857 -16.642 -20.457 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.407 -13.536 -21.774 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.314 -17.823 -21.997 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.747 -13.456 -23.859 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.652 -17.745 -24.083 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.685 -16.463 -25.591 1.00 0.00 H new ATOM 176 N ASP A 11 -3.996 -13.376 -18.850 1.00 0.00 N ATOM 177 CA ASP A 11 -4.893 -12.193 -18.927 1.00 0.00 C ATOM 178 C ASP A 11 -4.156 -10.938 -18.453 1.00 0.00 C ATOM 179 O ASP A 11 -2.954 -10.940 -18.283 1.00 0.00 O ATOM 180 CB ASP A 11 -6.059 -12.518 -17.993 1.00 0.00 C ATOM 181 CG ASP A 11 -7.261 -12.980 -18.817 1.00 0.00 C ATOM 182 OD1 ASP A 11 -7.524 -12.368 -19.840 1.00 0.00 O ATOM 183 OD2 ASP A 11 -7.900 -13.938 -18.412 1.00 0.00 O ATOM 0 H ASP A 11 -3.114 -13.220 -18.363 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.230 -11.996 -19.945 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.768 -13.296 -17.288 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.324 -11.639 -17.406 1.00 0.00 H new ATOM 188 N LEU A 12 -4.869 -9.866 -18.239 1.00 0.00 N ATOM 189 CA LEU A 12 -4.210 -8.610 -17.775 1.00 0.00 C ATOM 190 C LEU A 12 -3.108 -8.198 -18.754 1.00 0.00 C ATOM 191 O LEU A 12 -2.626 -8.996 -19.534 1.00 0.00 O ATOM 192 CB LEU A 12 -3.614 -8.955 -16.410 1.00 0.00 C ATOM 193 CG LEU A 12 -4.739 -9.273 -15.425 1.00 0.00 C ATOM 194 CD1 LEU A 12 -4.140 -9.683 -14.080 1.00 0.00 C ATOM 195 CD2 LEU A 12 -5.614 -8.030 -15.235 1.00 0.00 C ATOM 0 H LEU A 12 -5.879 -9.805 -18.365 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.909 -7.776 -17.715 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.944 -9.810 -16.500 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.018 -8.120 -16.040 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.345 -10.090 -15.816 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.943 -9.910 -13.378 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.515 -10.566 -14.214 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.534 -8.866 -13.687 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.417 -8.254 -14.533 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.007 -7.214 -14.843 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.042 -7.736 -16.194 1.00 0.00 H new ATOM 207 N GLY A 13 -2.706 -6.957 -18.721 1.00 0.00 N ATOM 208 CA GLY A 13 -1.635 -6.495 -19.649 1.00 0.00 C ATOM 209 C GLY A 13 -0.301 -6.441 -18.903 1.00 0.00 C ATOM 210 O GLY A 13 0.451 -7.394 -18.885 1.00 0.00 O ATOM 0 H GLY A 13 -3.073 -6.243 -18.092 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.560 -7.171 -20.500 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.882 -5.510 -20.045 1.00 0.00 H new ATOM 214 N LYS A 14 -0.001 -5.331 -18.284 1.00 0.00 N ATOM 215 CA LYS A 14 1.284 -5.218 -17.537 1.00 0.00 C ATOM 216 C LYS A 14 1.302 -3.934 -16.704 1.00 0.00 C ATOM 217 O LYS A 14 0.704 -2.947 -17.075 1.00 0.00 O ATOM 218 CB LYS A 14 2.372 -5.179 -18.612 1.00 0.00 C ATOM 219 CG LYS A 14 1.949 -4.235 -19.740 1.00 0.00 C ATOM 220 CD LYS A 14 2.937 -4.354 -20.902 1.00 0.00 C ATOM 221 CE LYS A 14 4.053 -3.322 -20.732 1.00 0.00 C ATOM 222 NZ LYS A 14 5.314 -4.115 -20.740 1.00 0.00 N ATOM 0 H LYS A 14 -0.590 -4.498 -18.263 1.00 0.00 H new ATOM 0 HA LYS A 14 1.430 -6.047 -16.844 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.314 -4.843 -18.178 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.542 -6.180 -19.007 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.943 -4.482 -20.078 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.920 -3.208 -19.377 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.358 -5.359 -20.933 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.421 -4.195 -21.849 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.041 -2.591 -21.540 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.940 -2.769 -19.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.127 -3.476 -20.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.300 -4.798 -19.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.397 -4.626 -21.642 1.00 0.00 H new ATOM 236 N LYS A 15 1.985 -3.965 -15.581 1.00 0.00 N ATOM 237 CA LYS A 15 2.079 -2.774 -14.665 1.00 0.00 C ATOM 238 C LYS A 15 1.557 -1.489 -15.321 1.00 0.00 C ATOM 239 O LYS A 15 2.120 -1.010 -16.285 1.00 0.00 O ATOM 240 CB LYS A 15 3.572 -2.639 -14.363 1.00 0.00 C ATOM 241 CG LYS A 15 4.343 -2.449 -15.671 1.00 0.00 C ATOM 242 CD LYS A 15 5.686 -3.176 -15.581 1.00 0.00 C ATOM 243 CE LYS A 15 5.490 -4.657 -15.916 1.00 0.00 C ATOM 244 NZ LYS A 15 6.535 -4.962 -16.932 1.00 0.00 N ATOM 0 H LYS A 15 2.494 -4.785 -15.252 1.00 0.00 H new ATOM 0 HA LYS A 15 1.469 -2.917 -13.773 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.744 -1.791 -13.701 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.930 -3.528 -13.843 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.762 -2.837 -16.508 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.504 -1.388 -15.860 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.401 -2.728 -16.271 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.102 -3.071 -14.579 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.606 -5.281 -15.030 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.491 -4.844 -16.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.465 -5.961 -17.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.395 -4.357 -17.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.476 -4.781 -16.527 1.00 0.00 H new ATOM 258 N PRO A 16 0.491 -0.972 -14.766 1.00 0.00 N ATOM 259 CA PRO A 16 -0.122 0.275 -15.293 1.00 0.00 C ATOM 260 C PRO A 16 0.756 1.481 -14.953 1.00 0.00 C ATOM 261 O PRO A 16 0.657 2.048 -13.884 1.00 0.00 O ATOM 262 CB PRO A 16 -1.457 0.354 -14.557 1.00 0.00 C ATOM 263 CG PRO A 16 -1.251 -0.426 -13.298 1.00 0.00 C ATOM 264 CD PRO A 16 -0.238 -1.496 -13.605 1.00 0.00 C ATOM 0 HA PRO A 16 -0.236 0.274 -16.377 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.728 1.387 -14.341 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.264 -0.069 -15.156 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.897 0.222 -12.496 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.188 -0.868 -12.960 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.428 -1.669 -12.760 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.719 -2.448 -13.832 1.00 0.00 H new ATOM 272 N ILE A 17 1.615 1.879 -15.852 1.00 0.00 N ATOM 273 CA ILE A 17 2.493 3.050 -15.565 1.00 0.00 C ATOM 274 C ILE A 17 1.715 4.351 -15.767 1.00 0.00 C ATOM 275 O ILE A 17 0.643 4.362 -16.336 1.00 0.00 O ATOM 276 CB ILE A 17 3.652 2.965 -16.559 1.00 0.00 C ATOM 277 CG1 ILE A 17 4.021 1.502 -16.822 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.867 3.695 -15.985 1.00 0.00 C ATOM 279 CD1 ILE A 17 3.530 1.100 -18.213 1.00 0.00 C ATOM 0 H ILE A 17 1.747 1.448 -16.767 1.00 0.00 H new ATOM 0 HA ILE A 17 2.852 3.039 -14.536 1.00 0.00 H new ATOM 0 HB ILE A 17 3.347 3.429 -17.497 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.101 1.369 -16.752 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.571 0.860 -16.065 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.695 3.636 -16.692 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.614 4.741 -15.810 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.160 3.230 -15.044 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.791 0.059 -18.404 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.448 1.218 -18.265 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.001 1.736 -18.963 1.00 0.00 H new ATOM 291 N TYR A 18 2.247 5.447 -15.305 1.00 0.00 N ATOM 292 CA TYR A 18 1.538 6.749 -15.470 1.00 0.00 C ATOM 293 C TYR A 18 2.540 7.906 -15.413 1.00 0.00 C ATOM 294 O TYR A 18 2.739 8.516 -14.381 1.00 0.00 O ATOM 295 CB TYR A 18 0.565 6.823 -14.293 1.00 0.00 C ATOM 296 CG TYR A 18 -0.638 7.645 -14.685 1.00 0.00 C ATOM 297 CD1 TYR A 18 -1.646 7.079 -15.476 1.00 0.00 C ATOM 298 CD2 TYR A 18 -0.747 8.974 -14.259 1.00 0.00 C ATOM 299 CE1 TYR A 18 -2.762 7.842 -15.840 1.00 0.00 C ATOM 300 CE2 TYR A 18 -1.863 9.736 -14.623 1.00 0.00 C ATOM 301 CZ TYR A 18 -2.871 9.170 -15.413 1.00 0.00 C ATOM 302 OH TYR A 18 -3.971 9.922 -15.772 1.00 0.00 O ATOM 0 H TYR A 18 3.143 5.499 -14.820 1.00 0.00 H new ATOM 0 HA TYR A 18 1.023 6.821 -16.428 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.254 5.820 -14.001 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.057 7.268 -13.428 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.562 6.054 -15.805 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.030 9.411 -13.650 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.539 7.406 -16.450 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.947 10.761 -14.294 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.890 10.822 -15.392 1.00 0.00 H new ATOM 312 N LYS A 19 3.170 8.212 -16.514 1.00 0.00 N ATOM 313 CA LYS A 19 4.159 9.329 -16.520 1.00 0.00 C ATOM 314 C LYS A 19 4.152 10.034 -17.880 1.00 0.00 C ATOM 315 O LYS A 19 3.779 9.462 -18.884 1.00 0.00 O ATOM 316 CB LYS A 19 5.512 8.662 -16.268 1.00 0.00 C ATOM 317 CG LYS A 19 6.635 9.640 -16.620 1.00 0.00 C ATOM 318 CD LYS A 19 7.904 9.255 -15.858 1.00 0.00 C ATOM 319 CE LYS A 19 8.943 10.369 -16.000 1.00 0.00 C ATOM 320 NZ LYS A 19 10.252 9.713 -15.722 1.00 0.00 N ATOM 0 H LYS A 19 3.044 7.738 -17.408 1.00 0.00 H new ATOM 0 HA LYS A 19 3.932 10.086 -15.769 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.592 8.360 -15.224 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.601 7.757 -16.869 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.823 9.623 -17.693 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.339 10.657 -16.364 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.673 9.091 -14.805 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.304 8.318 -16.246 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.923 10.802 -17.000 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.751 11.180 -15.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.016 10.415 -15.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.244 9.316 -14.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.411 8.950 -16.411 1.00 0.00 H new ATOM 334 N LYS A 20 4.563 11.272 -17.917 1.00 0.00 N ATOM 335 CA LYS A 20 4.582 12.014 -19.209 1.00 0.00 C ATOM 336 C LYS A 20 5.016 13.464 -18.978 1.00 0.00 C ATOM 337 O LYS A 20 4.536 14.131 -18.083 1.00 0.00 O ATOM 338 CB LYS A 20 3.143 11.960 -19.724 1.00 0.00 C ATOM 339 CG LYS A 20 3.150 11.672 -21.227 1.00 0.00 C ATOM 340 CD LYS A 20 3.717 10.274 -21.478 1.00 0.00 C ATOM 341 CE LYS A 20 3.592 9.931 -22.964 1.00 0.00 C ATOM 342 NZ LYS A 20 4.068 11.146 -23.681 1.00 0.00 N ATOM 0 H LYS A 20 4.887 11.802 -17.108 1.00 0.00 H new ATOM 0 HA LYS A 20 5.284 11.581 -19.922 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.586 11.186 -19.197 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.639 12.906 -19.526 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.138 11.742 -21.626 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.750 12.418 -21.748 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.762 10.234 -21.171 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.180 9.539 -20.878 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.195 9.060 -23.220 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.562 9.694 -23.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.335 10.893 -24.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.308 11.856 -23.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.894 11.539 -23.187 1.00 0.00 H new ATOM 356 N ALA A 21 5.921 13.958 -19.779 1.00 0.00 N ATOM 357 CA ALA A 21 6.385 15.364 -19.604 1.00 0.00 C ATOM 358 C ALA A 21 7.248 15.789 -20.795 1.00 0.00 C ATOM 359 O ALA A 21 8.374 15.352 -20.931 1.00 0.00 O ATOM 360 CB ALA A 21 7.212 15.352 -18.319 1.00 0.00 C ATOM 0 H ALA A 21 6.359 13.449 -20.547 1.00 0.00 H new ATOM 0 HA ALA A 21 5.555 16.068 -19.547 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.591 16.355 -18.121 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.587 15.029 -17.487 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.050 14.664 -18.432 1.00 0.00 H new ATOM 366 N PRO A 22 6.687 16.630 -21.619 1.00 0.00 N ATOM 367 CA PRO A 22 7.410 17.125 -22.815 1.00 0.00 C ATOM 368 C PRO A 22 8.499 18.122 -22.406 1.00 0.00 C ATOM 369 O PRO A 22 8.793 18.290 -21.239 1.00 0.00 O ATOM 370 CB PRO A 22 6.322 17.815 -23.632 1.00 0.00 C ATOM 371 CG PRO A 22 5.274 18.201 -22.635 1.00 0.00 C ATOM 372 CD PRO A 22 5.337 17.194 -21.515 1.00 0.00 C ATOM 0 HA PRO A 22 7.914 16.333 -23.369 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.714 18.690 -24.152 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.916 17.148 -24.392 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.453 19.208 -22.258 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.286 18.204 -23.096 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.175 17.665 -20.545 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.573 16.424 -21.627 1.00 0.00 H new ATOM 380 N THR A 23 9.097 18.786 -23.358 1.00 0.00 N ATOM 381 CA THR A 23 10.162 19.772 -23.028 1.00 0.00 C ATOM 382 C THR A 23 10.533 20.583 -24.272 1.00 0.00 C ATOM 383 O THR A 23 10.224 20.208 -25.386 1.00 0.00 O ATOM 384 CB THR A 23 11.352 18.932 -22.556 1.00 0.00 C ATOM 385 OG1 THR A 23 11.113 18.477 -21.231 1.00 0.00 O ATOM 386 CG2 THR A 23 12.623 19.781 -22.583 1.00 0.00 C ATOM 0 H THR A 23 8.892 18.687 -24.352 1.00 0.00 H new ATOM 0 HA THR A 23 9.844 20.485 -22.268 1.00 0.00 H new ATOM 0 HB THR A 23 11.476 18.076 -23.219 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.223 18.768 -20.941 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.469 19.181 -22.247 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.807 20.129 -23.600 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.501 20.639 -21.922 1.00 0.00 H new ATOM 394 N ASN A 24 11.195 21.693 -24.092 1.00 0.00 N ATOM 395 CA ASN A 24 11.586 22.527 -25.264 1.00 0.00 C ATOM 396 C ASN A 24 12.617 23.578 -24.844 1.00 0.00 C ATOM 397 O ASN A 24 12.868 23.783 -23.673 1.00 0.00 O ATOM 398 CB ASN A 24 10.292 23.199 -25.721 1.00 0.00 C ATOM 399 CG ASN A 24 10.622 24.355 -26.667 1.00 0.00 C ATOM 400 OD1 ASN A 24 10.814 25.549 -26.176 1.00 0.00 O flip ATOM 401 ND2 ASN A 24 10.706 24.170 -27.865 1.00 0.00 N flip ATOM 0 H ASN A 24 11.482 22.059 -23.184 1.00 0.00 H new ATOM 0 HA ASN A 24 12.041 21.936 -26.059 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.652 22.475 -26.225 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.738 23.568 -24.858 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.556 23.237 -28.249 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.927 24.948 -28.487 1.00 0.00 H new ATOM 408 N GLU A 25 13.218 24.247 -25.791 1.00 0.00 N ATOM 409 CA GLU A 25 14.232 25.283 -25.445 1.00 0.00 C ATOM 410 C GLU A 25 14.352 26.306 -26.578 1.00 0.00 C ATOM 411 O GLU A 25 13.891 26.083 -27.681 1.00 0.00 O ATOM 412 CB GLU A 25 15.543 24.514 -25.276 1.00 0.00 C ATOM 413 CG GLU A 25 16.339 25.111 -24.114 1.00 0.00 C ATOM 414 CD GLU A 25 15.485 25.088 -22.845 1.00 0.00 C ATOM 415 OE1 GLU A 25 15.400 24.039 -22.229 1.00 0.00 O ATOM 416 OE2 GLU A 25 14.929 26.122 -22.510 1.00 0.00 O ATOM 0 H GLU A 25 13.050 24.120 -26.789 1.00 0.00 H new ATOM 0 HA GLU A 25 13.965 25.837 -24.545 1.00 0.00 H new ATOM 0 HB2 GLU A 25 15.337 23.461 -25.086 1.00 0.00 H new ATOM 0 HB3 GLU A 25 16.127 24.564 -26.195 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.256 24.543 -23.958 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.633 26.134 -24.349 1.00 0.00 H new ATOM 423 N PHE A 26 14.967 27.426 -26.316 1.00 0.00 N ATOM 424 CA PHE A 26 15.114 28.462 -27.379 1.00 0.00 C ATOM 425 C PHE A 26 16.517 28.396 -27.989 1.00 0.00 C ATOM 426 O PHE A 26 17.390 27.716 -27.490 1.00 0.00 O ATOM 427 CB PHE A 26 14.902 29.797 -26.664 1.00 0.00 C ATOM 428 CG PHE A 26 15.342 30.926 -27.564 1.00 0.00 C ATOM 429 CD1 PHE A 26 14.552 31.297 -28.658 1.00 0.00 C ATOM 430 CD2 PHE A 26 16.540 31.602 -27.305 1.00 0.00 C ATOM 431 CE1 PHE A 26 14.958 32.344 -29.494 1.00 0.00 C ATOM 432 CE2 PHE A 26 16.948 32.650 -28.140 1.00 0.00 C ATOM 433 CZ PHE A 26 16.156 33.021 -29.235 1.00 0.00 C ATOM 0 H PHE A 26 15.374 27.669 -25.413 1.00 0.00 H new ATOM 0 HA PHE A 26 14.405 28.321 -28.195 1.00 0.00 H new ATOM 0 HB2 PHE A 26 13.851 29.917 -26.399 1.00 0.00 H new ATOM 0 HB3 PHE A 26 15.469 29.817 -25.734 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.628 30.775 -28.858 1.00 0.00 H new ATOM 0 HD2 PHE A 26 17.150 31.315 -26.461 1.00 0.00 H new ATOM 0 HE1 PHE A 26 14.348 32.629 -30.338 1.00 0.00 H new ATOM 0 HE2 PHE A 26 17.872 33.172 -27.940 1.00 0.00 H new ATOM 0 HZ PHE A 26 16.470 33.829 -29.879 1.00 0.00 H new ATOM 443 N TYR A 27 16.739 29.099 -29.067 1.00 0.00 N ATOM 444 CA TYR A 27 18.086 29.075 -29.707 1.00 0.00 C ATOM 445 C TYR A 27 18.394 30.436 -30.339 1.00 0.00 C ATOM 446 O TYR A 27 17.514 31.248 -30.550 1.00 0.00 O ATOM 447 CB TYR A 27 17.994 27.993 -30.782 1.00 0.00 C ATOM 448 CG TYR A 27 18.752 26.768 -30.331 1.00 0.00 C ATOM 449 CD1 TYR A 27 20.150 26.746 -30.398 1.00 0.00 C ATOM 450 CD2 TYR A 27 18.058 25.654 -29.843 1.00 0.00 C ATOM 451 CE1 TYR A 27 20.854 25.610 -29.980 1.00 0.00 C ATOM 452 CE2 TYR A 27 18.761 24.519 -29.424 1.00 0.00 C ATOM 453 CZ TYR A 27 20.159 24.497 -29.492 1.00 0.00 C ATOM 454 OH TYR A 27 20.852 23.377 -29.079 1.00 0.00 O ATOM 0 H TYR A 27 16.047 29.688 -29.531 1.00 0.00 H new ATOM 0 HA TYR A 27 18.881 28.870 -28.990 1.00 0.00 H new ATOM 0 HB2 TYR A 27 16.951 27.739 -30.969 1.00 0.00 H new ATOM 0 HB3 TYR A 27 18.405 28.363 -31.721 1.00 0.00 H new ATOM 0 HD1 TYR A 27 20.686 27.606 -30.772 1.00 0.00 H new ATOM 0 HD2 TYR A 27 16.979 25.671 -29.790 1.00 0.00 H new ATOM 0 HE1 TYR A 27 21.933 25.592 -30.034 1.00 0.00 H new ATOM 0 HE2 TYR A 27 18.225 23.660 -29.048 1.00 0.00 H new ATOM 0 HH TYR A 27 20.219 22.697 -28.768 1.00 0.00 H new ATOM 464 N ALA A 28 19.637 30.690 -30.644 1.00 0.00 N ATOM 465 CA ALA A 28 20.000 31.998 -31.261 1.00 0.00 C ATOM 466 C ALA A 28 20.245 31.824 -32.763 1.00 0.00 C ATOM 467 O ALA A 28 19.744 30.859 -33.317 1.00 0.00 O ATOM 468 CB ALA A 28 21.287 32.426 -30.555 1.00 0.00 C ATOM 469 OXT ALA A 28 20.928 32.659 -33.333 1.00 0.00 O ATOM 0 H ALA A 28 20.416 30.050 -30.493 1.00 0.00 H new ATOM 0 HA ALA A 28 19.209 32.740 -31.151 1.00 0.00 H new ATOM 0 HB1 ALA A 28 21.620 33.384 -30.955 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.100 32.524 -29.486 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.060 31.675 -30.721 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 -12.568 -25.918 8.302 1.00 0.00 N ATOM 477 CA ARG B 1 -12.467 -25.825 6.817 1.00 0.00 C ATOM 478 C ARG B 1 -11.001 -25.889 6.381 1.00 0.00 C ATOM 479 O ARG B 1 -10.260 -24.936 6.518 1.00 0.00 O ATOM 480 CB ARG B 1 -13.072 -24.467 6.462 1.00 0.00 C ATOM 481 CG ARG B 1 -14.399 -24.289 7.204 1.00 0.00 C ATOM 482 CD ARG B 1 -15.134 -23.067 6.651 1.00 0.00 C ATOM 483 NE ARG B 1 -16.150 -22.729 7.685 1.00 0.00 N ATOM 484 CZ ARG B 1 -17.086 -21.859 7.421 1.00 0.00 C ATOM 485 NH1 ARG B 1 -18.155 -22.228 6.770 1.00 0.00 N ATOM 486 NH2 ARG B 1 -16.954 -20.619 7.808 1.00 0.00 N ATOM 0 H1 ARG B 1 -13.520 -26.244 8.565 1.00 0.00 H new ATOM 0 H2 ARG B 1 -11.860 -26.593 8.657 1.00 0.00 H new ATOM 0 H3 ARG B 1 -12.394 -24.982 8.721 1.00 0.00 H new ATOM 0 HA ARG B 1 -12.983 -26.644 6.317 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -12.382 -23.668 6.732 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -13.233 -24.399 5.386 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -15.015 -25.181 7.087 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -14.217 -24.165 8.271 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -14.449 -22.236 6.484 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -15.604 -23.289 5.693 1.00 0.00 H new ATOM 0 HE ARG B 1 -16.115 -23.178 8.600 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -18.259 -23.197 6.467 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -18.887 -21.548 6.564 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -16.119 -20.330 8.317 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -17.686 -19.940 7.601 1.00 0.00 H new ATOM 502 N MET B 2 -10.576 -27.006 5.858 1.00 0.00 N ATOM 503 CA MET B 2 -9.157 -27.130 5.415 1.00 0.00 C ATOM 504 C MET B 2 -9.034 -28.203 4.329 1.00 0.00 C ATOM 505 O MET B 2 -9.207 -29.379 4.581 1.00 0.00 O ATOM 506 CB MET B 2 -8.386 -27.546 6.668 1.00 0.00 C ATOM 507 CG MET B 2 -8.440 -26.417 7.699 1.00 0.00 C ATOM 508 SD MET B 2 -7.205 -26.717 8.987 1.00 0.00 S ATOM 509 CE MET B 2 -7.655 -25.330 10.060 1.00 0.00 C ATOM 0 H MET B 2 -11.149 -27.838 5.718 1.00 0.00 H new ATOM 0 HA MET B 2 -8.774 -26.202 4.990 1.00 0.00 H new ATOM 0 HB2 MET B 2 -8.816 -28.456 7.087 1.00 0.00 H new ATOM 0 HB3 MET B 2 -7.350 -27.771 6.413 1.00 0.00 H new ATOM 0 HG2 MET B 2 -8.251 -25.459 7.215 1.00 0.00 H new ATOM 0 HG3 MET B 2 -9.435 -26.360 8.140 1.00 0.00 H new ATOM 0 HE1 MET B 2 -7.006 -25.322 10.936 1.00 0.00 H new ATOM 0 HE2 MET B 2 -7.538 -24.394 9.513 1.00 0.00 H new ATOM 0 HE3 MET B 2 -8.692 -25.437 10.378 1.00 0.00 H new ATOM 519 N LYS B 3 -8.737 -27.806 3.122 1.00 0.00 N ATOM 520 CA LYS B 3 -8.603 -28.803 2.020 1.00 0.00 C ATOM 521 C LYS B 3 -7.157 -28.851 1.523 1.00 0.00 C ATOM 522 O LYS B 3 -6.253 -28.350 2.163 1.00 0.00 O ATOM 523 CB LYS B 3 -9.534 -28.300 0.916 1.00 0.00 C ATOM 524 CG LYS B 3 -10.989 -28.502 1.343 1.00 0.00 C ATOM 525 CD LYS B 3 -11.664 -29.502 0.403 1.00 0.00 C ATOM 526 CE LYS B 3 -12.174 -30.699 1.211 1.00 0.00 C ATOM 527 NZ LYS B 3 -13.618 -30.810 0.862 1.00 0.00 N ATOM 0 H LYS B 3 -8.581 -26.835 2.850 1.00 0.00 H new ATOM 0 HA LYS B 3 -8.861 -29.812 2.342 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -9.345 -27.245 0.719 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -9.338 -28.837 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -11.030 -28.867 2.369 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -11.521 -27.551 1.321 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -12.492 -29.024 -0.120 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -10.958 -29.837 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -11.634 -31.610 0.952 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -12.037 -30.541 2.281 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -14.039 -31.609 1.377 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -14.108 -29.931 1.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -13.717 -30.967 -0.161 1.00 0.00 H new ATOM 541 N LYS B 4 -6.930 -29.450 0.386 1.00 0.00 N ATOM 542 CA LYS B 4 -5.540 -29.529 -0.151 1.00 0.00 C ATOM 543 C LYS B 4 -5.565 -29.540 -1.682 1.00 0.00 C ATOM 544 O LYS B 4 -5.117 -30.477 -2.313 1.00 0.00 O ATOM 545 CB LYS B 4 -4.983 -30.848 0.386 1.00 0.00 C ATOM 546 CG LYS B 4 -5.314 -30.974 1.875 1.00 0.00 C ATOM 547 CD LYS B 4 -4.687 -32.254 2.431 1.00 0.00 C ATOM 548 CE LYS B 4 -5.157 -32.469 3.871 1.00 0.00 C ATOM 549 NZ LYS B 4 -4.697 -33.841 4.224 1.00 0.00 N ATOM 0 H LYS B 4 -7.645 -29.888 -0.194 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.931 -28.677 0.150 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -5.410 -31.686 -0.164 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -3.904 -30.886 0.238 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -4.937 -30.107 2.417 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.394 -30.994 2.018 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -4.969 -33.107 1.814 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -3.600 -32.183 2.399 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -4.729 -31.724 4.542 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -6.241 -32.383 3.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -4.982 -34.063 5.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -5.126 -34.529 3.573 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -3.661 -33.890 4.147 1.00 0.00 H new ATOM 563 N LYS B 5 -6.086 -28.506 -2.284 1.00 0.00 N ATOM 564 CA LYS B 5 -6.138 -28.458 -3.773 1.00 0.00 C ATOM 565 C LYS B 5 -6.621 -27.082 -4.241 1.00 0.00 C ATOM 566 O LYS B 5 -7.676 -26.619 -3.855 1.00 0.00 O ATOM 567 CB LYS B 5 -7.141 -29.542 -4.170 1.00 0.00 C ATOM 568 CG LYS B 5 -8.397 -29.415 -3.305 1.00 0.00 C ATOM 569 CD LYS B 5 -9.325 -30.601 -3.576 1.00 0.00 C ATOM 570 CE LYS B 5 -9.392 -31.493 -2.333 1.00 0.00 C ATOM 571 NZ LYS B 5 -9.058 -32.859 -2.822 1.00 0.00 N ATOM 0 H LYS B 5 -6.478 -27.693 -1.809 1.00 0.00 H new ATOM 0 HA LYS B 5 -5.160 -28.622 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -7.401 -29.444 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -6.696 -30.529 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -8.124 -29.387 -2.250 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -8.911 -28.479 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -10.322 -30.244 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -8.960 -31.174 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -8.686 -31.163 -1.571 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -10.384 -31.467 -1.881 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -9.083 -33.528 -2.026 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -9.751 -33.149 -3.541 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -8.106 -32.855 -3.241 1.00 0.00 H new ATOM 585 N ASP B 6 -5.856 -26.425 -5.071 1.00 0.00 N ATOM 586 CA ASP B 6 -6.272 -25.081 -5.563 1.00 0.00 C ATOM 587 C ASP B 6 -5.482 -24.710 -6.821 1.00 0.00 C ATOM 588 O ASP B 6 -4.690 -25.484 -7.319 1.00 0.00 O ATOM 589 CB ASP B 6 -5.942 -24.121 -4.419 1.00 0.00 C ATOM 590 CG ASP B 6 -7.205 -23.848 -3.600 1.00 0.00 C ATOM 591 OD1 ASP B 6 -8.284 -24.103 -4.110 1.00 0.00 O ATOM 592 OD2 ASP B 6 -7.072 -23.389 -2.478 1.00 0.00 O ATOM 0 H ASP B 6 -4.962 -26.761 -5.429 1.00 0.00 H new ATOM 0 HA ASP B 6 -7.328 -25.048 -5.831 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -5.169 -24.550 -3.782 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -5.545 -23.187 -4.817 1.00 0.00 H new ATOM 597 N GLU B 7 -5.693 -23.531 -7.338 1.00 0.00 N ATOM 598 CA GLU B 7 -4.954 -23.111 -8.564 1.00 0.00 C ATOM 599 C GLU B 7 -5.344 -21.683 -8.955 1.00 0.00 C ATOM 600 O GLU B 7 -6.401 -21.200 -8.601 1.00 0.00 O ATOM 601 CB GLU B 7 -5.388 -24.101 -9.646 1.00 0.00 C ATOM 602 CG GLU B 7 -4.210 -25.009 -10.009 1.00 0.00 C ATOM 603 CD GLU B 7 -4.736 -26.387 -10.415 1.00 0.00 C ATOM 604 OE1 GLU B 7 -5.942 -26.537 -10.505 1.00 0.00 O ATOM 605 OE2 GLU B 7 -3.921 -27.271 -10.628 1.00 0.00 O ATOM 0 H GLU B 7 -6.344 -22.840 -6.966 1.00 0.00 H new ATOM 0 HA GLU B 7 -3.874 -23.115 -8.417 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -6.227 -24.700 -9.291 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -5.732 -23.563 -10.529 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -3.638 -24.571 -10.827 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -3.533 -25.102 -9.160 1.00 0.00 H new ATOM 612 N GLY B 8 -4.498 -21.005 -9.681 1.00 0.00 N ATOM 613 CA GLY B 8 -4.822 -19.610 -10.093 1.00 0.00 C ATOM 614 C GLY B 8 -3.823 -19.146 -11.154 1.00 0.00 C ATOM 615 O GLY B 8 -2.883 -18.431 -10.867 1.00 0.00 O ATOM 0 H GLY B 8 -3.597 -21.356 -10.006 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.837 -19.563 -10.488 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.785 -18.947 -9.229 1.00 0.00 H new ATOM 619 N SER B 9 -4.016 -19.548 -12.381 1.00 0.00 N ATOM 620 CA SER B 9 -3.078 -19.132 -13.458 1.00 0.00 C ATOM 621 C SER B 9 -3.231 -17.637 -13.749 1.00 0.00 C ATOM 622 O SER B 9 -3.529 -17.239 -14.858 1.00 0.00 O ATOM 623 CB SER B 9 -3.483 -19.961 -14.676 1.00 0.00 C ATOM 624 OG SER B 9 -2.839 -21.226 -14.619 1.00 0.00 O ATOM 0 H SER B 9 -4.784 -20.147 -12.683 1.00 0.00 H new ATOM 0 HA SER B 9 -2.036 -19.294 -13.182 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.565 -20.092 -14.698 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.206 -19.440 -15.593 1.00 0.00 H new ATOM 0 HG SER B 9 -3.098 -21.761 -15.398 1.00 0.00 H new ATOM 630 N TYR B 10 -3.030 -16.808 -12.763 1.00 0.00 N ATOM 631 CA TYR B 10 -3.164 -15.340 -12.984 1.00 0.00 C ATOM 632 C TYR B 10 -1.784 -14.677 -12.990 1.00 0.00 C ATOM 633 O TYR B 10 -0.849 -15.163 -12.385 1.00 0.00 O ATOM 634 CB TYR B 10 -3.996 -14.835 -11.805 1.00 0.00 C ATOM 635 CG TYR B 10 -3.202 -14.983 -10.528 1.00 0.00 C ATOM 636 CD1 TYR B 10 -2.300 -13.984 -10.146 1.00 0.00 C ATOM 637 CD2 TYR B 10 -3.369 -16.120 -9.729 1.00 0.00 C ATOM 638 CE1 TYR B 10 -1.563 -14.123 -8.962 1.00 0.00 C ATOM 639 CE2 TYR B 10 -2.634 -16.258 -8.546 1.00 0.00 C ATOM 640 CZ TYR B 10 -1.731 -15.259 -8.163 1.00 0.00 C ATOM 641 OH TYR B 10 -1.005 -15.395 -6.996 1.00 0.00 O ATOM 0 H TYR B 10 -2.779 -17.083 -11.813 1.00 0.00 H new ATOM 0 HA TYR B 10 -3.631 -15.108 -13.941 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -4.267 -13.790 -11.958 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -4.926 -15.399 -11.735 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -2.172 -13.107 -10.763 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -4.065 -16.891 -10.025 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -0.865 -13.353 -8.667 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -2.763 -17.135 -7.929 1.00 0.00 H new ATOM 0 HH TYR B 10 -1.242 -16.240 -6.560 1.00 0.00 H new ATOM 651 N ASP B 11 -1.649 -13.569 -13.668 1.00 0.00 N ATOM 652 CA ASP B 11 -0.333 -12.878 -13.711 1.00 0.00 C ATOM 653 C ASP B 11 -0.482 -11.496 -14.354 1.00 0.00 C ATOM 654 O ASP B 11 -1.577 -11.009 -14.554 1.00 0.00 O ATOM 655 CB ASP B 11 0.558 -13.777 -14.568 1.00 0.00 C ATOM 656 CG ASP B 11 1.473 -14.601 -13.661 1.00 0.00 C ATOM 657 OD1 ASP B 11 1.998 -14.039 -12.714 1.00 0.00 O ATOM 658 OD2 ASP B 11 1.635 -15.780 -13.930 1.00 0.00 O ATOM 0 H ASP B 11 -2.395 -13.114 -14.194 1.00 0.00 H new ATOM 0 HA ASP B 11 0.084 -12.721 -12.716 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -0.056 -14.438 -15.181 1.00 0.00 H new ATOM 0 HB3 ASP B 11 1.154 -13.172 -15.251 1.00 0.00 H new ATOM 663 N LEU B 12 0.612 -10.862 -14.678 1.00 0.00 N ATOM 664 CA LEU B 12 0.535 -9.512 -15.307 1.00 0.00 C ATOM 665 C LEU B 12 -0.262 -8.556 -14.415 1.00 0.00 C ATOM 666 O LEU B 12 -1.016 -8.973 -13.557 1.00 0.00 O ATOM 667 CB LEU B 12 -0.190 -9.734 -16.636 1.00 0.00 C ATOM 668 CG LEU B 12 0.668 -10.615 -17.544 1.00 0.00 C ATOM 669 CD1 LEU B 12 -0.085 -10.894 -18.846 1.00 0.00 C ATOM 670 CD2 LEU B 12 1.980 -9.894 -17.861 1.00 0.00 C ATOM 0 H LEU B 12 1.556 -11.220 -14.534 1.00 0.00 H new ATOM 0 HA LEU B 12 1.520 -9.067 -15.449 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.156 -10.207 -16.461 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.386 -8.777 -17.120 1.00 0.00 H new ATOM 0 HG LEU B 12 0.882 -11.557 -17.039 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.527 -11.522 -19.493 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -1.021 -11.407 -18.623 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.299 -9.952 -19.352 1.00 0.00 H new ATOM 0 HD21 LEU B 12 2.593 -10.521 -18.508 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.765 -8.952 -18.366 1.00 0.00 H new ATOM 0 HD23 LEU B 12 2.518 -9.694 -16.935 1.00 0.00 H new ATOM 682 N GLY B 13 -0.101 -7.276 -14.610 1.00 0.00 N ATOM 683 CA GLY B 13 -0.849 -6.294 -13.774 1.00 0.00 C ATOM 684 C GLY B 13 -2.054 -5.770 -14.556 1.00 0.00 C ATOM 685 O GLY B 13 -3.140 -6.312 -14.478 1.00 0.00 O ATOM 0 H GLY B 13 0.516 -6.867 -15.312 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.180 -6.766 -12.849 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -0.196 -5.467 -13.494 1.00 0.00 H new ATOM 689 N LYS B 14 -1.873 -4.723 -15.312 1.00 0.00 N ATOM 690 CA LYS B 14 -3.010 -4.168 -16.101 1.00 0.00 C ATOM 691 C LYS B 14 -2.504 -3.108 -17.084 1.00 0.00 C ATOM 692 O LYS B 14 -1.534 -2.431 -16.819 1.00 0.00 O ATOM 693 CB LYS B 14 -3.949 -3.541 -15.068 1.00 0.00 C ATOM 694 CG LYS B 14 -3.135 -2.738 -14.052 1.00 0.00 C ATOM 695 CD LYS B 14 -4.048 -2.285 -12.911 1.00 0.00 C ATOM 696 CE LYS B 14 -4.626 -0.905 -13.235 1.00 0.00 C ATOM 697 NZ LYS B 14 -6.103 -1.081 -13.163 1.00 0.00 N ATOM 0 H LYS B 14 -0.988 -4.227 -15.418 1.00 0.00 H new ATOM 0 HA LYS B 14 -3.513 -4.934 -16.691 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -4.671 -2.892 -15.565 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -4.518 -4.319 -14.559 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -2.320 -3.347 -13.660 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -2.682 -1.872 -14.535 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -4.855 -3.004 -12.769 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -3.488 -2.246 -11.977 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -4.282 -0.156 -12.522 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -4.316 -0.569 -14.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -6.571 -0.176 -13.374 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -6.402 -1.795 -13.857 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -6.369 -1.394 -12.208 1.00 0.00 H new ATOM 711 N LYS B 15 -3.167 -2.983 -18.213 1.00 0.00 N ATOM 712 CA LYS B 15 -2.773 -1.985 -19.268 1.00 0.00 C ATOM 713 C LYS B 15 -1.736 -0.972 -18.760 1.00 0.00 C ATOM 714 O LYS B 15 -2.017 -0.187 -17.876 1.00 0.00 O ATOM 715 CB LYS B 15 -4.074 -1.268 -19.624 1.00 0.00 C ATOM 716 CG LYS B 15 -4.657 -0.612 -18.371 1.00 0.00 C ATOM 717 CD LYS B 15 -6.183 -0.706 -18.407 1.00 0.00 C ATOM 718 CE LYS B 15 -6.623 -2.077 -17.890 1.00 0.00 C ATOM 719 NZ LYS B 15 -7.671 -1.786 -16.872 1.00 0.00 N ATOM 0 H LYS B 15 -3.984 -3.544 -18.454 1.00 0.00 H new ATOM 0 HA LYS B 15 -2.306 -2.481 -20.119 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -3.888 -0.514 -20.389 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -4.789 -1.977 -20.042 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -4.273 -1.105 -17.478 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -4.348 0.432 -18.317 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -6.621 0.083 -17.795 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -6.543 -0.557 -19.425 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -7.017 -2.695 -18.697 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -5.786 -2.621 -17.451 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -8.023 -2.679 -16.471 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -7.265 -1.202 -16.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -8.458 -1.274 -17.320 1.00 0.00 H new ATOM 733 N PRO B 16 -0.568 -1.029 -19.344 1.00 0.00 N ATOM 734 CA PRO B 16 0.530 -0.105 -18.956 1.00 0.00 C ATOM 735 C PRO B 16 0.237 1.309 -19.463 1.00 0.00 C ATOM 736 O PRO B 16 0.538 1.647 -20.591 1.00 0.00 O ATOM 737 CB PRO B 16 1.752 -0.689 -19.661 1.00 0.00 C ATOM 738 CG PRO B 16 1.202 -1.454 -20.820 1.00 0.00 C ATOM 739 CD PRO B 16 -0.162 -1.948 -20.413 1.00 0.00 C ATOM 0 HA PRO B 16 0.663 -0.023 -17.877 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.429 0.098 -19.993 1.00 0.00 H new ATOM 0 HB3 PRO B 16 2.320 -1.338 -18.994 1.00 0.00 H new ATOM 0 HG2 PRO B 16 1.135 -0.820 -21.704 1.00 0.00 H new ATOM 0 HG3 PRO B 16 1.854 -2.289 -21.076 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -0.862 -1.922 -21.249 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -0.124 -2.979 -20.060 1.00 0.00 H new ATOM 747 N ILE B 17 -0.347 2.139 -18.643 1.00 0.00 N ATOM 748 CA ILE B 17 -0.655 3.527 -19.094 1.00 0.00 C ATOM 749 C ILE B 17 0.607 4.390 -19.030 1.00 0.00 C ATOM 750 O ILE B 17 1.597 4.015 -18.438 1.00 0.00 O ATOM 751 CB ILE B 17 -1.713 4.063 -18.127 1.00 0.00 C ATOM 752 CG1 ILE B 17 -2.660 2.938 -17.700 1.00 0.00 C ATOM 753 CG2 ILE B 17 -2.519 5.164 -18.819 1.00 0.00 C ATOM 754 CD1 ILE B 17 -2.347 2.538 -16.257 1.00 0.00 C ATOM 0 H ILE B 17 -0.623 1.919 -17.686 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.013 3.544 -20.123 1.00 0.00 H new ATOM 0 HB ILE B 17 -1.215 4.464 -17.244 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.696 3.267 -17.782 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -2.545 2.079 -18.361 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.274 5.548 -18.133 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -1.851 5.973 -19.114 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.007 4.756 -19.704 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.019 1.737 -15.948 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.315 2.192 -16.191 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -2.484 3.399 -15.603 1.00 0.00 H new ATOM 766 N TYR B 18 0.577 5.544 -19.636 1.00 0.00 N ATOM 767 CA TYR B 18 1.774 6.432 -19.610 1.00 0.00 C ATOM 768 C TYR B 18 1.357 7.888 -19.834 1.00 0.00 C ATOM 769 O TYR B 18 1.406 8.395 -20.936 1.00 0.00 O ATOM 770 CB TYR B 18 2.655 5.943 -20.761 1.00 0.00 C ATOM 771 CG TYR B 18 4.103 6.219 -20.439 1.00 0.00 C ATOM 772 CD1 TYR B 18 4.797 5.380 -19.559 1.00 0.00 C ATOM 773 CD2 TYR B 18 4.754 7.314 -21.020 1.00 0.00 C ATOM 774 CE1 TYR B 18 6.141 5.635 -19.261 1.00 0.00 C ATOM 775 CE2 TYR B 18 6.098 7.570 -20.722 1.00 0.00 C ATOM 776 CZ TYR B 18 6.791 6.731 -19.843 1.00 0.00 C ATOM 777 OH TYR B 18 8.115 6.983 -19.548 1.00 0.00 O ATOM 0 H TYR B 18 -0.225 5.911 -20.149 1.00 0.00 H new ATOM 0 HA TYR B 18 2.295 6.395 -18.654 1.00 0.00 H new ATOM 0 HB2 TYR B 18 2.504 4.875 -20.920 1.00 0.00 H new ATOM 0 HB3 TYR B 18 2.375 6.446 -21.686 1.00 0.00 H new ATOM 0 HD1 TYR B 18 4.295 4.536 -19.110 1.00 0.00 H new ATOM 0 HD2 TYR B 18 4.219 7.962 -21.699 1.00 0.00 H new ATOM 0 HE1 TYR B 18 6.676 4.987 -18.583 1.00 0.00 H new ATOM 0 HE2 TYR B 18 6.599 8.415 -21.171 1.00 0.00 H new ATOM 0 HH TYR B 18 8.413 7.779 -20.036 1.00 0.00 H new ATOM 787 N LYS B 19 0.945 8.563 -18.795 1.00 0.00 N ATOM 788 CA LYS B 19 0.525 9.985 -18.951 1.00 0.00 C ATOM 789 C LYS B 19 0.867 10.780 -17.688 1.00 0.00 C ATOM 790 O LYS B 19 0.989 10.230 -16.612 1.00 0.00 O ATOM 791 CB LYS B 19 -0.990 9.931 -19.156 1.00 0.00 C ATOM 792 CG LYS B 19 -1.583 11.326 -18.956 1.00 0.00 C ATOM 793 CD LYS B 19 -2.917 11.426 -19.699 1.00 0.00 C ATOM 794 CE LYS B 19 -3.381 12.884 -19.722 1.00 0.00 C ATOM 795 NZ LYS B 19 -4.851 12.815 -19.952 1.00 0.00 N ATOM 0 H LYS B 19 0.881 8.192 -17.847 1.00 0.00 H new ATOM 0 HA LYS B 19 1.032 10.476 -19.782 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.219 9.567 -20.158 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.438 9.230 -18.452 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -1.731 11.521 -17.894 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -0.891 12.083 -19.326 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -2.807 11.052 -20.717 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -3.665 10.803 -19.210 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -3.151 13.387 -18.782 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -2.883 13.445 -20.513 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -5.243 13.778 -19.981 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -5.039 12.338 -20.857 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -5.299 12.281 -19.180 1.00 0.00 H new ATOM 809 N LYS B 20 1.020 12.070 -17.811 1.00 0.00 N ATOM 810 CA LYS B 20 1.352 12.901 -16.620 1.00 0.00 C ATOM 811 C LYS B 20 1.567 14.359 -17.036 1.00 0.00 C ATOM 812 O LYS B 20 2.260 14.645 -17.992 1.00 0.00 O ATOM 813 CB LYS B 20 2.646 12.306 -16.064 1.00 0.00 C ATOM 814 CG LYS B 20 2.559 12.231 -14.538 1.00 0.00 C ATOM 815 CD LYS B 20 1.460 11.248 -14.135 1.00 0.00 C ATOM 816 CE LYS B 20 1.469 11.067 -12.615 1.00 0.00 C ATOM 817 NZ LYS B 20 1.572 12.446 -12.064 1.00 0.00 N ATOM 0 H LYS B 20 0.929 12.585 -18.687 1.00 0.00 H new ATOM 0 HA LYS B 20 0.552 12.896 -15.879 1.00 0.00 H new ATOM 0 HB2 LYS B 20 2.809 11.311 -16.479 1.00 0.00 H new ATOM 0 HB3 LYS B 20 3.497 12.919 -16.361 1.00 0.00 H new ATOM 0 HG2 LYS B 20 3.516 11.912 -14.124 1.00 0.00 H new ATOM 0 HG3 LYS B 20 2.347 13.218 -14.127 1.00 0.00 H new ATOM 0 HD2 LYS B 20 0.488 11.618 -14.462 1.00 0.00 H new ATOM 0 HD3 LYS B 20 1.617 10.288 -14.627 1.00 0.00 H new ATOM 0 HE2 LYS B 20 0.561 10.571 -12.271 1.00 0.00 H new ATOM 0 HE3 LYS B 20 2.309 10.451 -12.296 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 1.187 12.463 -11.098 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 2.570 12.738 -12.045 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 1.031 13.101 -12.664 1.00 0.00 H new ATOM 831 N ALA B 21 0.979 15.282 -16.326 1.00 0.00 N ATOM 832 CA ALA B 21 1.151 16.719 -16.682 1.00 0.00 C ATOM 833 C ALA B 21 0.581 17.611 -15.575 1.00 0.00 C ATOM 834 O ALA B 21 -0.619 17.713 -15.416 1.00 0.00 O ATOM 835 CB ALA B 21 0.362 16.903 -17.978 1.00 0.00 C ATOM 0 H ALA B 21 0.387 15.104 -15.515 1.00 0.00 H new ATOM 0 HA ALA B 21 2.200 16.992 -16.801 1.00 0.00 H new ATOM 0 HB1 ALA B 21 0.439 17.939 -18.307 1.00 0.00 H new ATOM 0 HB2 ALA B 21 0.768 16.247 -18.748 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -0.685 16.654 -17.805 1.00 0.00 H new ATOM 841 N PRO B 22 1.470 18.228 -14.845 1.00 0.00 N ATOM 842 CA PRO B 22 1.057 19.124 -13.737 1.00 0.00 C ATOM 843 C PRO B 22 0.482 20.430 -14.293 1.00 0.00 C ATOM 844 O PRO B 22 0.255 20.565 -15.479 1.00 0.00 O ATOM 845 CB PRO B 22 2.358 19.380 -12.981 1.00 0.00 C ATOM 846 CG PRO B 22 3.441 19.162 -13.989 1.00 0.00 C ATOM 847 CD PRO B 22 2.927 18.150 -14.981 1.00 0.00 C ATOM 0 HA PRO B 22 0.280 18.695 -13.104 1.00 0.00 H new ATOM 0 HB2 PRO B 22 2.389 20.394 -12.581 1.00 0.00 H new ATOM 0 HB3 PRO B 22 2.463 18.700 -12.135 1.00 0.00 H new ATOM 0 HG2 PRO B 22 3.695 20.097 -14.489 1.00 0.00 H new ATOM 0 HG3 PRO B 22 4.349 18.801 -13.506 1.00 0.00 H new ATOM 0 HD2 PRO B 22 3.246 18.388 -15.996 1.00 0.00 H new ATOM 0 HD3 PRO B 22 3.296 17.149 -14.757 1.00 0.00 H new ATOM 855 N THR B 23 0.248 21.395 -13.445 1.00 0.00 N ATOM 856 CA THR B 23 -0.307 22.691 -13.921 1.00 0.00 C ATOM 857 C THR B 23 -0.266 23.728 -12.793 1.00 0.00 C ATOM 858 O THR B 23 -0.114 23.395 -11.635 1.00 0.00 O ATOM 859 CB THR B 23 -1.753 22.384 -14.318 1.00 0.00 C ATOM 860 OG1 THR B 23 -1.766 21.715 -15.571 1.00 0.00 O ATOM 861 CG2 THR B 23 -2.545 23.690 -14.429 1.00 0.00 C ATOM 0 H THR B 23 0.418 21.340 -12.441 1.00 0.00 H new ATOM 0 HA THR B 23 0.263 23.104 -14.754 1.00 0.00 H new ATOM 0 HB THR B 23 -2.210 21.748 -13.559 1.00 0.00 H new ATOM 0 HG1 THR B 23 -0.847 21.507 -15.841 1.00 0.00 H new ATOM 0 HG21 THR B 23 -3.574 23.469 -14.712 1.00 0.00 H new ATOM 0 HG22 THR B 23 -2.535 24.204 -13.468 1.00 0.00 H new ATOM 0 HG23 THR B 23 -2.090 24.328 -15.186 1.00 0.00 H new ATOM 869 N ASN B 24 -0.400 24.983 -13.125 1.00 0.00 N ATOM 870 CA ASN B 24 -0.368 26.040 -12.074 1.00 0.00 C ATOM 871 C ASN B 24 -0.868 27.369 -12.645 1.00 0.00 C ATOM 872 O ASN B 24 -1.040 27.517 -13.839 1.00 0.00 O ATOM 873 CB ASN B 24 1.101 26.150 -11.666 1.00 0.00 C ATOM 874 CG ASN B 24 1.318 27.442 -10.877 1.00 0.00 C ATOM 875 OD1 ASN B 24 1.637 28.535 -11.513 1.00 0.00 O flip ATOM 876 ND2 ASN B 24 1.196 27.457 -9.668 1.00 0.00 N flip ATOM 0 H ASN B 24 -0.530 25.322 -14.078 1.00 0.00 H new ATOM 0 HA ASN B 24 -1.009 25.798 -11.226 1.00 0.00 H new ATOM 0 HB2 ASN B 24 1.386 25.290 -11.060 1.00 0.00 H new ATOM 0 HB3 ASN B 24 1.737 26.141 -12.551 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.947 26.603 -9.170 1.00 0.00 H new ATOM 0 HD22 ASN B 24 1.343 28.324 -9.151 1.00 0.00 H new ATOM 883 N GLU B 25 -1.102 28.338 -11.802 1.00 0.00 N ATOM 884 CA GLU B 25 -1.591 29.656 -12.299 1.00 0.00 C ATOM 885 C GLU B 25 -1.234 30.762 -11.301 1.00 0.00 C ATOM 886 O GLU B 25 -0.882 30.500 -10.168 1.00 0.00 O ATOM 887 CB GLU B 25 -3.108 29.501 -12.408 1.00 0.00 C ATOM 888 CG GLU B 25 -3.608 30.232 -13.655 1.00 0.00 C ATOM 889 CD GLU B 25 -2.879 29.697 -14.889 1.00 0.00 C ATOM 890 OE1 GLU B 25 -3.264 28.645 -15.370 1.00 0.00 O ATOM 891 OE2 GLU B 25 -1.946 30.349 -15.330 1.00 0.00 O ATOM 0 H GLU B 25 -0.976 28.274 -10.792 1.00 0.00 H new ATOM 0 HA GLU B 25 -1.141 29.931 -13.253 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.373 28.445 -12.462 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.590 29.906 -11.518 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.683 30.091 -13.765 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -3.436 31.304 -13.554 1.00 0.00 H new ATOM 898 N PHE B 26 -1.323 31.997 -11.713 1.00 0.00 N ATOM 899 CA PHE B 26 -0.990 33.118 -10.789 1.00 0.00 C ATOM 900 C PHE B 26 -2.271 33.727 -10.212 1.00 0.00 C ATOM 901 O PHE B 26 -3.364 33.426 -10.649 1.00 0.00 O ATOM 902 CB PHE B 26 -0.252 34.139 -11.655 1.00 0.00 C ATOM 903 CG PHE B 26 -0.146 35.449 -10.909 1.00 0.00 C ATOM 904 CD1 PHE B 26 0.757 35.578 -9.848 1.00 0.00 C ATOM 905 CD2 PHE B 26 -0.951 36.532 -11.281 1.00 0.00 C ATOM 906 CE1 PHE B 26 0.854 36.793 -9.157 1.00 0.00 C ATOM 907 CE2 PHE B 26 -0.854 37.746 -10.590 1.00 0.00 C ATOM 908 CZ PHE B 26 0.049 37.876 -9.528 1.00 0.00 C ATOM 0 H PHE B 26 -1.612 32.278 -12.650 1.00 0.00 H new ATOM 0 HA PHE B 26 -0.386 32.790 -9.943 1.00 0.00 H new ATOM 0 HB2 PHE B 26 0.742 33.769 -11.905 1.00 0.00 H new ATOM 0 HB3 PHE B 26 -0.783 34.286 -12.596 1.00 0.00 H new ATOM 0 HD1 PHE B 26 1.378 34.742 -9.562 1.00 0.00 H new ATOM 0 HD2 PHE B 26 -1.647 36.431 -12.101 1.00 0.00 H new ATOM 0 HE1 PHE B 26 1.550 36.894 -8.338 1.00 0.00 H new ATOM 0 HE2 PHE B 26 -1.475 38.582 -10.876 1.00 0.00 H new ATOM 0 HZ PHE B 26 0.124 38.812 -8.995 1.00 0.00 H new ATOM 918 N TYR B 27 -2.145 34.582 -9.235 1.00 0.00 N ATOM 919 CA TYR B 27 -3.356 35.209 -8.632 1.00 0.00 C ATOM 920 C TYR B 27 -3.041 36.637 -8.178 1.00 0.00 C ATOM 921 O TYR B 27 -1.896 37.019 -8.044 1.00 0.00 O ATOM 922 CB TYR B 27 -3.702 34.329 -7.431 1.00 0.00 C ATOM 923 CG TYR B 27 -4.920 33.496 -7.752 1.00 0.00 C ATOM 924 CD1 TYR B 27 -6.193 34.077 -7.718 1.00 0.00 C ATOM 925 CD2 TYR B 27 -4.776 32.143 -8.081 1.00 0.00 C ATOM 926 CE1 TYR B 27 -7.322 33.305 -8.015 1.00 0.00 C ATOM 927 CE2 TYR B 27 -5.905 31.371 -8.378 1.00 0.00 C ATOM 928 CZ TYR B 27 -7.179 31.952 -8.345 1.00 0.00 C ATOM 929 OH TYR B 27 -8.293 31.191 -8.638 1.00 0.00 O ATOM 0 H TYR B 27 -1.257 34.874 -8.828 1.00 0.00 H new ATOM 0 HA TYR B 27 -4.182 35.275 -9.340 1.00 0.00 H new ATOM 0 HB2 TYR B 27 -2.860 33.682 -7.186 1.00 0.00 H new ATOM 0 HB3 TYR B 27 -3.893 34.949 -6.555 1.00 0.00 H new ATOM 0 HD1 TYR B 27 -6.304 35.121 -7.463 1.00 0.00 H new ATOM 0 HD2 TYR B 27 -3.794 31.695 -8.106 1.00 0.00 H new ATOM 0 HE1 TYR B 27 -8.304 33.753 -7.990 1.00 0.00 H new ATOM 0 HE2 TYR B 27 -5.794 30.327 -8.633 1.00 0.00 H new ATOM 0 HH TYR B 27 -8.017 30.274 -8.847 1.00 0.00 H new ATOM 939 N ALA B 28 -4.050 37.429 -7.940 1.00 0.00 N ATOM 940 CA ALA B 28 -3.808 38.833 -7.495 1.00 0.00 C ATOM 941 C ALA B 28 -4.062 38.961 -5.990 1.00 0.00 C ATOM 942 O ALA B 28 -4.002 37.949 -5.311 1.00 0.00 O ATOM 943 CB ALA B 28 -4.811 39.676 -8.282 1.00 0.00 C ATOM 944 OXT ALA B 28 -4.311 40.069 -5.545 1.00 0.00 O ATOM 0 H ALA B 28 -5.031 37.166 -8.034 1.00 0.00 H new ATOM 0 HA ALA B 28 -2.781 39.152 -7.672 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -4.697 40.725 -8.010 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -4.629 39.556 -9.350 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -5.824 39.349 -8.048 1.00 0.00 H new TER 950 ALA B 28