USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=18 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+ -177:sc= -0.0876 (180deg=-0.108) 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+ 126:sc= -0.144 (180deg=-1.28) USER MOD Single : A 5 LYS NZ :NH3+ 155:sc= -1.04 (180deg=-2.09!) USER MOD Single : A 9 SER OG : rot 22:sc= 1.13 USER MOD Single : A 10 TYR OH : rot 30: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+ -169:sc= -0.0109 (180deg=-0.131) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -48:sc= -0.369! USER MOD Single : A 24 ASN : amide:sc= -0.373 K(o=-0.37,f=-2.9!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ -174:sc= -0.042 (180deg=-0.0965) 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+ 141:sc= -0.167 (180deg=-1.2) USER MOD Single : B 5 LYS NZ :NH3+ 156:sc= -1.08 (180deg=-2.23!) USER MOD Single : B 9 SER OG : rot 20:sc= 1.11 USER MOD Single : B 10 TYR OH : rot 30: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+ -170:sc=-0.00938 (180deg=-0.125) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot -43:sc= -0.317! USER MOD Single : B 24 ASN : amide:sc= -0.364 K(o=-0.36,f=-3.1!) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -0.063 -30.990 -41.427 1.00 0.00 N ATOM 2 CA ARG A 1 0.931 -31.716 -40.584 1.00 0.00 C ATOM 3 C ARG A 1 1.343 -30.853 -39.389 1.00 0.00 C ATOM 4 O ARG A 1 1.943 -31.327 -38.445 1.00 0.00 O ATOM 5 CB ARG A 1 2.126 -31.963 -41.504 1.00 0.00 C ATOM 6 CG ARG A 1 2.249 -33.462 -41.791 1.00 0.00 C ATOM 7 CD ARG A 1 2.265 -33.693 -43.304 1.00 0.00 C ATOM 8 NE ARG A 1 3.289 -34.752 -43.519 1.00 0.00 N ATOM 9 CZ ARG A 1 3.134 -35.624 -44.478 1.00 0.00 C ATOM 10 NH1 ARG A 1 2.393 -36.681 -44.285 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.720 -35.439 -45.630 1.00 0.00 N ATOM 0 H1 ARG A 1 -0.373 -31.605 -42.206 1.00 0.00 H new ATOM 0 H2 ARG A 1 -0.884 -30.727 -40.846 1.00 0.00 H new ATOM 0 H3 ARG A 1 0.374 -30.131 -41.817 1.00 0.00 H new ATOM 0 HA ARG A 1 0.529 -32.645 -40.180 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.000 -31.413 -42.436 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.040 -31.595 -41.037 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.162 -33.855 -41.343 1.00 0.00 H new ATOM 0 HG3 ARG A 1 1.415 -33.999 -41.339 1.00 0.00 H new ATOM 0 HD2 ARG A 1 1.287 -34.010 -43.666 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.522 -32.780 -43.840 1.00 0.00 H new ATOM 0 HE ARG A 1 4.111 -34.796 -42.917 1.00 0.00 H new ATOM 0 HH11 ARG A 1 1.935 -36.825 -43.385 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.272 -37.363 -45.034 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.299 -34.613 -45.781 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.599 -36.121 -46.379 1.00 0.00 H new ATOM 27 N MET A 2 1.026 -29.587 -39.422 1.00 0.00 N ATOM 28 CA MET A 2 1.399 -28.694 -38.288 1.00 0.00 C ATOM 29 C MET A 2 0.203 -28.498 -37.353 1.00 0.00 C ATOM 30 O MET A 2 -0.934 -28.693 -37.734 1.00 0.00 O ATOM 31 CB MET A 2 1.793 -27.369 -38.940 1.00 0.00 C ATOM 32 CG MET A 2 3.242 -27.449 -39.427 1.00 0.00 C ATOM 33 SD MET A 2 4.080 -25.881 -39.089 1.00 0.00 S ATOM 34 CE MET A 2 3.382 -24.949 -40.473 1.00 0.00 C ATOM 0 H MET A 2 0.525 -29.133 -40.185 1.00 0.00 H new ATOM 0 HA MET A 2 2.208 -29.108 -37.686 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.129 -27.152 -39.776 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.683 -26.553 -38.225 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.761 -28.266 -38.926 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.266 -27.664 -40.495 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.771 -23.931 -40.459 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.658 -25.430 -41.411 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.296 -24.924 -40.384 1.00 0.00 H new ATOM 44 N LYS A 3 0.450 -28.114 -36.130 1.00 0.00 N ATOM 45 CA LYS A 3 -0.673 -27.905 -35.172 1.00 0.00 C ATOM 46 C LYS A 3 -0.597 -26.502 -34.565 1.00 0.00 C ATOM 47 O LYS A 3 0.378 -25.797 -34.728 1.00 0.00 O ATOM 48 CB LYS A 3 -0.474 -28.968 -34.091 1.00 0.00 C ATOM 49 CG LYS A 3 -1.704 -29.010 -33.183 1.00 0.00 C ATOM 50 CD LYS A 3 -2.967 -29.143 -34.037 1.00 0.00 C ATOM 51 CE LYS A 3 -2.788 -30.286 -35.038 1.00 0.00 C ATOM 52 NZ LYS A 3 -4.148 -30.523 -35.598 1.00 0.00 N ATOM 0 H LYS A 3 1.381 -27.936 -35.753 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.647 -27.990 -35.653 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.315 -29.944 -34.550 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.417 -28.743 -33.504 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.630 -29.850 -32.492 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.754 -28.104 -32.580 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.831 -29.335 -33.400 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.161 -28.210 -34.565 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.080 -30.017 -35.822 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.400 -31.181 -34.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.107 -31.295 -36.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.799 -30.783 -34.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.488 -29.656 -36.061 1.00 0.00 H new ATOM 66 N LYS A 4 -1.621 -26.092 -33.867 1.00 0.00 N ATOM 67 CA LYS A 4 -1.607 -24.733 -33.251 1.00 0.00 C ATOM 68 C LYS A 4 -1.736 -24.842 -31.729 1.00 0.00 C ATOM 69 O LYS A 4 -1.242 -25.769 -31.119 1.00 0.00 O ATOM 70 CB LYS A 4 -2.820 -24.017 -33.843 1.00 0.00 C ATOM 71 CG LYS A 4 -2.535 -22.517 -33.934 1.00 0.00 C ATOM 72 CD LYS A 4 -2.261 -22.137 -35.390 1.00 0.00 C ATOM 73 CE LYS A 4 -1.666 -20.728 -35.447 1.00 0.00 C ATOM 74 NZ LYS A 4 -0.311 -20.858 -34.843 1.00 0.00 N ATOM 0 H LYS A 4 -2.466 -26.638 -33.696 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.680 -24.197 -33.453 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.044 -24.416 -34.832 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.698 -24.194 -33.222 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.385 -21.951 -33.553 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.677 -22.261 -33.313 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.573 -22.852 -35.840 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.185 -22.177 -35.967 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.608 -20.365 -36.473 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.279 -20.018 -34.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.400 -20.483 -35.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.275 -20.322 -33.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.111 -21.860 -34.651 1.00 0.00 H new ATOM 88 N LYS A 5 -2.397 -23.901 -31.112 1.00 0.00 N ATOM 89 CA LYS A 5 -2.557 -23.951 -29.630 1.00 0.00 C ATOM 90 C LYS A 5 -3.943 -23.438 -29.229 1.00 0.00 C ATOM 91 O LYS A 5 -4.717 -23.000 -30.057 1.00 0.00 O ATOM 92 CB LYS A 5 -1.460 -23.039 -29.072 1.00 0.00 C ATOM 93 CG LYS A 5 -1.356 -21.760 -29.912 1.00 0.00 C ATOM 94 CD LYS A 5 -2.573 -20.869 -29.652 1.00 0.00 C ATOM 95 CE LYS A 5 -2.774 -20.702 -28.143 1.00 0.00 C ATOM 96 NZ LYS A 5 -1.425 -20.368 -27.610 1.00 0.00 N ATOM 0 H LYS A 5 -2.833 -23.100 -31.569 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.471 -24.966 -29.243 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.681 -22.785 -28.035 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.504 -23.563 -29.075 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.441 -21.223 -29.662 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.298 -22.013 -30.971 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.430 -19.895 -30.120 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.463 -21.311 -30.101 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.491 -19.911 -27.925 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.161 -21.616 -27.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.525 -19.840 -26.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.894 -21.245 -27.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.913 -19.785 -28.303 1.00 0.00 H new ATOM 110 N ASP A 6 -4.263 -23.490 -27.965 1.00 0.00 N ATOM 111 CA ASP A 6 -5.598 -23.005 -27.512 1.00 0.00 C ATOM 112 C ASP A 6 -5.436 -21.986 -26.383 1.00 0.00 C ATOM 113 O ASP A 6 -4.341 -21.710 -25.934 1.00 0.00 O ATOM 114 CB ASP A 6 -6.322 -24.254 -27.009 1.00 0.00 C ATOM 115 CG ASP A 6 -6.563 -25.212 -28.178 1.00 0.00 C ATOM 116 OD1 ASP A 6 -6.479 -24.766 -29.310 1.00 0.00 O ATOM 117 OD2 ASP A 6 -6.826 -26.375 -27.920 1.00 0.00 O ATOM 0 H ASP A 6 -3.658 -23.847 -27.226 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.150 -22.508 -28.310 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.728 -24.746 -26.239 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.271 -23.977 -26.551 1.00 0.00 H new ATOM 122 N GLU A 7 -6.519 -21.424 -25.918 1.00 0.00 N ATOM 123 CA GLU A 7 -6.426 -20.422 -24.817 1.00 0.00 C ATOM 124 C GLU A 7 -6.434 -21.128 -23.458 1.00 0.00 C ATOM 125 O GLU A 7 -6.347 -22.337 -23.376 1.00 0.00 O ATOM 126 CB GLU A 7 -7.668 -19.545 -24.973 1.00 0.00 C ATOM 127 CG GLU A 7 -7.821 -19.130 -26.438 1.00 0.00 C ATOM 128 CD GLU A 7 -8.868 -20.018 -27.114 1.00 0.00 C ATOM 129 OE1 GLU A 7 -10.046 -19.773 -26.907 1.00 0.00 O ATOM 130 OE2 GLU A 7 -8.475 -20.926 -27.827 1.00 0.00 O ATOM 0 H GLU A 7 -7.463 -21.615 -26.252 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.507 -19.838 -24.866 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.553 -20.089 -24.644 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.583 -18.661 -24.341 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.121 -18.084 -26.501 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.865 -19.219 -26.954 1.00 0.00 H new ATOM 137 N GLY A 8 -6.536 -20.382 -22.392 1.00 0.00 N ATOM 138 CA GLY A 8 -6.549 -21.010 -21.041 1.00 0.00 C ATOM 139 C GLY A 8 -7.030 -19.991 -20.007 1.00 0.00 C ATOM 140 O GLY A 8 -8.214 -19.812 -19.802 1.00 0.00 O ATOM 0 H GLY A 8 -6.611 -19.365 -22.399 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.204 -21.881 -21.040 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.550 -21.362 -20.783 1.00 0.00 H new ATOM 144 N SER A 9 -6.120 -19.319 -19.356 1.00 0.00 N ATOM 145 CA SER A 9 -6.524 -18.311 -18.340 1.00 0.00 C ATOM 146 C SER A 9 -5.309 -17.494 -17.892 1.00 0.00 C ATOM 147 O SER A 9 -4.791 -17.677 -16.808 1.00 0.00 O ATOM 148 CB SER A 9 -7.086 -19.124 -17.173 1.00 0.00 C ATOM 149 OG SER A 9 -8.474 -19.348 -17.384 1.00 0.00 O ATOM 0 H SER A 9 -5.114 -19.426 -19.485 1.00 0.00 H new ATOM 0 HA SER A 9 -7.255 -17.603 -18.730 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.560 -20.075 -17.091 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.930 -18.591 -16.235 1.00 0.00 H new ATOM 0 HG SER A 9 -8.678 -19.260 -18.338 1.00 0.00 H new ATOM 155 N TYR A 10 -4.850 -16.594 -18.719 1.00 0.00 N ATOM 156 CA TYR A 10 -3.669 -15.767 -18.340 1.00 0.00 C ATOM 157 C TYR A 10 -3.279 -14.841 -19.496 1.00 0.00 C ATOM 158 O TYR A 10 -2.984 -15.287 -20.588 1.00 0.00 O ATOM 159 CB TYR A 10 -2.554 -16.775 -18.060 1.00 0.00 C ATOM 160 CG TYR A 10 -1.230 -16.053 -17.981 1.00 0.00 C ATOM 161 CD1 TYR A 10 -0.575 -15.661 -19.156 1.00 0.00 C ATOM 162 CD2 TYR A 10 -0.658 -15.773 -16.735 1.00 0.00 C ATOM 163 CE1 TYR A 10 0.652 -14.992 -19.084 1.00 0.00 C ATOM 164 CE2 TYR A 10 0.570 -15.103 -16.662 1.00 0.00 C ATOM 165 CZ TYR A 10 1.225 -14.713 -17.837 1.00 0.00 C ATOM 166 OH TYR A 10 2.434 -14.052 -17.765 1.00 0.00 O ATOM 0 H TYR A 10 -5.241 -16.396 -19.640 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.869 -15.131 -17.478 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.750 -17.300 -17.125 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.523 -17.528 -18.848 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.017 -15.875 -20.118 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.164 -16.074 -15.829 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.157 -14.691 -19.990 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.011 -14.887 -15.700 1.00 0.00 H new ATOM 0 HH TYR A 10 2.526 -13.454 -18.536 1.00 0.00 H new ATOM 176 N ASP A 11 -3.275 -13.558 -19.266 1.00 0.00 N ATOM 177 CA ASP A 11 -2.904 -12.607 -20.347 1.00 0.00 C ATOM 178 C ASP A 11 -2.733 -11.196 -19.777 1.00 0.00 C ATOM 179 O ASP A 11 -1.656 -10.805 -19.374 1.00 0.00 O ATOM 180 CB ASP A 11 -4.073 -12.653 -21.329 1.00 0.00 C ATOM 181 CG ASP A 11 -3.705 -13.539 -22.521 1.00 0.00 C ATOM 182 OD1 ASP A 11 -2.784 -13.182 -23.238 1.00 0.00 O ATOM 183 OD2 ASP A 11 -4.350 -14.559 -22.697 1.00 0.00 O ATOM 0 H ASP A 11 -3.514 -13.127 -18.373 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.960 -12.870 -20.824 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.962 -13.043 -20.834 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.314 -11.647 -21.671 1.00 0.00 H new ATOM 188 N LEU A 12 -3.788 -10.429 -19.740 1.00 0.00 N ATOM 189 CA LEU A 12 -3.685 -9.044 -19.196 1.00 0.00 C ATOM 190 C LEU A 12 -2.492 -8.318 -19.823 1.00 0.00 C ATOM 191 O LEU A 12 -1.792 -8.858 -20.657 1.00 0.00 O ATOM 192 CB LEU A 12 -3.474 -9.224 -17.693 1.00 0.00 C ATOM 193 CG LEU A 12 -4.830 -9.373 -17.000 1.00 0.00 C ATOM 194 CD1 LEU A 12 -5.527 -10.637 -17.508 1.00 0.00 C ATOM 195 CD2 LEU A 12 -4.620 -9.480 -15.489 1.00 0.00 C ATOM 0 H LEU A 12 -4.717 -10.701 -20.063 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.570 -8.447 -19.414 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.859 -10.104 -17.504 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.938 -8.367 -17.285 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.449 -8.503 -17.221 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.493 -10.743 -17.014 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.676 -10.562 -18.585 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.909 -11.507 -17.287 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.585 -9.586 -14.994 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.001 -10.350 -15.268 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.123 -8.580 -15.126 1.00 0.00 H new ATOM 207 N GLY A 13 -2.254 -7.097 -19.427 1.00 0.00 N ATOM 208 CA GLY A 13 -1.106 -6.339 -20.001 1.00 0.00 C ATOM 209 C GLY A 13 0.135 -6.556 -19.132 1.00 0.00 C ATOM 210 O GLY A 13 0.889 -7.486 -19.332 1.00 0.00 O ATOM 0 H GLY A 13 -2.804 -6.592 -18.732 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.911 -6.671 -21.021 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.346 -5.277 -20.051 1.00 0.00 H new ATOM 214 N LYS A 14 0.351 -5.705 -18.166 1.00 0.00 N ATOM 215 CA LYS A 14 1.540 -5.863 -17.285 1.00 0.00 C ATOM 216 C LYS A 14 1.450 -4.906 -16.094 1.00 0.00 C ATOM 217 O LYS A 14 0.836 -5.206 -15.090 1.00 0.00 O ATOM 218 CB LYS A 14 2.740 -5.524 -18.171 1.00 0.00 C ATOM 219 CG LYS A 14 3.309 -6.809 -18.776 1.00 0.00 C ATOM 220 CD LYS A 14 4.819 -6.861 -18.539 1.00 0.00 C ATOM 221 CE LYS A 14 5.491 -7.618 -19.686 1.00 0.00 C ATOM 222 NZ LYS A 14 5.847 -8.946 -19.111 1.00 0.00 N ATOM 0 H LYS A 14 -0.246 -4.907 -17.950 1.00 0.00 H new ATOM 0 HA LYS A 14 1.617 -6.868 -16.871 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.438 -4.839 -18.964 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.506 -5.016 -17.585 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.830 -7.678 -18.326 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.097 -6.845 -19.844 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.222 -5.850 -18.471 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.032 -7.354 -17.590 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.819 -7.723 -20.537 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.376 -7.091 -20.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.313 -9.525 -19.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.493 -8.814 -18.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.984 -9.427 -18.787 1.00 0.00 H new ATOM 236 N LYS A 15 2.058 -3.756 -16.195 1.00 0.00 N ATOM 237 CA LYS A 15 2.005 -2.783 -15.067 1.00 0.00 C ATOM 238 C LYS A 15 1.499 -1.425 -15.564 1.00 0.00 C ATOM 239 O LYS A 15 2.038 -0.867 -16.499 1.00 0.00 O ATOM 240 CB LYS A 15 3.449 -2.669 -14.577 1.00 0.00 C ATOM 241 CG LYS A 15 3.911 -4.019 -14.027 1.00 0.00 C ATOM 242 CD LYS A 15 4.769 -3.797 -12.779 1.00 0.00 C ATOM 243 CE LYS A 15 5.691 -5.002 -12.572 1.00 0.00 C ATOM 244 NZ LYS A 15 6.288 -4.800 -11.222 1.00 0.00 N ATOM 0 H LYS A 15 2.589 -3.448 -17.010 1.00 0.00 H new ATOM 0 HA LYS A 15 1.329 -3.104 -14.275 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.098 -2.357 -15.395 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.522 -1.905 -13.803 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.048 -4.638 -13.782 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.484 -4.555 -14.784 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.360 -2.888 -12.888 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.131 -3.659 -11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.135 -5.938 -12.622 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.461 -5.047 -13.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.933 -5.587 -11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.816 -3.904 -11.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.531 -4.768 -10.509 1.00 0.00 H new ATOM 258 N PRO A 16 0.473 -0.938 -14.917 1.00 0.00 N ATOM 259 CA PRO A 16 -0.117 0.369 -15.299 1.00 0.00 C ATOM 260 C PRO A 16 0.805 1.516 -14.875 1.00 0.00 C ATOM 261 O PRO A 16 0.897 1.856 -13.713 1.00 0.00 O ATOM 262 CB PRO A 16 -1.428 0.411 -14.521 1.00 0.00 C ATOM 263 CG PRO A 16 -1.215 -0.496 -13.352 1.00 0.00 C ATOM 264 CD PRO A 16 -0.228 -1.550 -13.783 1.00 0.00 C ATOM 0 HA PRO A 16 -0.261 0.476 -16.374 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.662 1.425 -14.196 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.262 0.073 -15.136 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.834 0.062 -12.496 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.155 -0.952 -13.042 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.461 -1.804 -12.978 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.731 -2.472 -14.075 1.00 0.00 H new ATOM 272 N ILE A 17 1.490 2.115 -15.812 1.00 0.00 N ATOM 273 CA ILE A 17 2.405 3.240 -15.461 1.00 0.00 C ATOM 274 C ILE A 17 1.656 4.573 -15.536 1.00 0.00 C ATOM 275 O ILE A 17 0.471 4.616 -15.800 1.00 0.00 O ATOM 276 CB ILE A 17 3.518 3.194 -16.506 1.00 0.00 C ATOM 277 CG1 ILE A 17 3.943 1.743 -16.745 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.719 3.999 -16.008 1.00 0.00 C ATOM 279 CD1 ILE A 17 3.347 1.249 -18.065 1.00 0.00 C ATOM 0 H ILE A 17 1.456 1.875 -16.803 1.00 0.00 H new ATOM 0 HA ILE A 17 2.796 3.149 -14.448 1.00 0.00 H new ATOM 0 HB ILE A 17 3.152 3.622 -17.439 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.030 1.671 -16.775 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.604 1.113 -15.922 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.513 3.966 -16.754 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.420 5.034 -15.842 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.081 3.571 -15.073 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.649 0.216 -18.236 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.260 1.306 -18.017 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.707 1.873 -18.883 1.00 0.00 H new ATOM 291 N TYR A 18 2.335 5.662 -15.304 1.00 0.00 N ATOM 292 CA TYR A 18 1.660 6.990 -15.362 1.00 0.00 C ATOM 293 C TYR A 18 2.703 8.110 -15.423 1.00 0.00 C ATOM 294 O TYR A 18 3.052 8.701 -14.422 1.00 0.00 O ATOM 295 CB TYR A 18 0.852 7.081 -14.068 1.00 0.00 C ATOM 296 CG TYR A 18 -0.424 7.845 -14.323 1.00 0.00 C ATOM 297 CD1 TYR A 18 -1.339 7.384 -15.278 1.00 0.00 C ATOM 298 CD2 TYR A 18 -0.694 9.018 -13.606 1.00 0.00 C ATOM 299 CE1 TYR A 18 -2.522 8.093 -15.515 1.00 0.00 C ATOM 300 CE2 TYR A 18 -1.876 9.727 -13.843 1.00 0.00 C ATOM 301 CZ TYR A 18 -2.790 9.265 -14.798 1.00 0.00 C ATOM 302 OH TYR A 18 -3.957 9.965 -15.031 1.00 0.00 O ATOM 0 H TYR A 18 3.329 5.690 -15.077 1.00 0.00 H new ATOM 0 HA TYR A 18 1.029 7.094 -16.244 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.622 6.081 -13.699 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.438 7.579 -13.295 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.131 6.480 -15.832 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.011 9.375 -12.870 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.228 7.736 -16.251 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.084 10.631 -13.289 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.988 10.753 -14.449 1.00 0.00 H new ATOM 312 N LYS A 19 3.201 8.406 -16.593 1.00 0.00 N ATOM 313 CA LYS A 19 4.221 9.487 -16.717 1.00 0.00 C ATOM 314 C LYS A 19 4.107 10.169 -18.084 1.00 0.00 C ATOM 315 O LYS A 19 3.542 9.626 -19.013 1.00 0.00 O ATOM 316 CB LYS A 19 5.568 8.778 -16.582 1.00 0.00 C ATOM 317 CG LYS A 19 6.630 9.781 -16.127 1.00 0.00 C ATOM 318 CD LYS A 19 6.290 10.281 -14.721 1.00 0.00 C ATOM 319 CE LYS A 19 6.400 11.807 -14.681 1.00 0.00 C ATOM 320 NZ LYS A 19 6.845 12.124 -13.296 1.00 0.00 N ATOM 0 H LYS A 19 2.946 7.947 -17.467 1.00 0.00 H new ATOM 0 HA LYS A 19 4.092 10.264 -15.964 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.491 7.962 -15.863 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.855 8.336 -17.536 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.614 9.312 -16.130 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.675 10.620 -16.822 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.281 9.971 -14.447 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.968 9.838 -13.992 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.115 12.171 -15.419 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.443 12.278 -14.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.765 13.148 -13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.246 11.616 -12.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.835 11.830 -13.174 1.00 0.00 H new ATOM 334 N LYS A 20 4.640 11.352 -18.213 1.00 0.00 N ATOM 335 CA LYS A 20 4.566 12.069 -19.517 1.00 0.00 C ATOM 336 C LYS A 20 5.048 13.514 -19.355 1.00 0.00 C ATOM 337 O LYS A 20 4.721 14.183 -18.395 1.00 0.00 O ATOM 338 CB LYS A 20 3.087 12.039 -19.908 1.00 0.00 C ATOM 339 CG LYS A 20 2.925 11.297 -21.236 1.00 0.00 C ATOM 340 CD LYS A 20 2.591 12.300 -22.343 1.00 0.00 C ATOM 341 CE LYS A 20 3.656 12.223 -23.441 1.00 0.00 C ATOM 342 NZ LYS A 20 3.755 13.608 -23.978 1.00 0.00 N ATOM 0 H LYS A 20 5.125 11.855 -17.470 1.00 0.00 H new ATOM 0 HA LYS A 20 5.196 11.606 -20.276 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.504 11.546 -19.130 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.703 13.055 -19.998 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.843 10.762 -21.480 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.134 10.552 -21.154 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.607 12.083 -22.760 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.548 13.309 -21.933 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.612 11.885 -23.041 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.369 11.517 -24.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.466 13.636 -24.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.832 13.900 -24.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.036 14.257 -23.215 1.00 0.00 H new ATOM 356 N ALA A 21 5.824 13.998 -20.286 1.00 0.00 N ATOM 357 CA ALA A 21 6.326 15.399 -20.185 1.00 0.00 C ATOM 358 C ALA A 21 5.834 16.225 -21.375 1.00 0.00 C ATOM 359 O ALA A 21 6.308 16.062 -22.483 1.00 0.00 O ATOM 360 CB ALA A 21 7.849 15.275 -20.209 1.00 0.00 C ATOM 0 H ALA A 21 6.132 13.485 -21.112 1.00 0.00 H new ATOM 0 HA ALA A 21 5.972 15.901 -19.285 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.296 16.267 -20.138 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.178 14.668 -19.366 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.161 14.802 -21.140 1.00 0.00 H new ATOM 366 N PRO A 22 4.895 17.089 -21.104 1.00 0.00 N ATOM 367 CA PRO A 22 4.326 17.956 -22.163 1.00 0.00 C ATOM 368 C PRO A 22 5.329 19.044 -22.560 1.00 0.00 C ATOM 369 O PRO A 22 6.475 19.022 -22.156 1.00 0.00 O ATOM 370 CB PRO A 22 3.094 18.566 -21.503 1.00 0.00 C ATOM 371 CG PRO A 22 3.378 18.520 -20.035 1.00 0.00 C ATOM 372 CD PRO A 22 4.281 17.337 -19.795 1.00 0.00 C ATOM 0 HA PRO A 22 4.088 17.415 -23.079 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.931 19.589 -21.841 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.194 18.002 -21.749 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.856 19.443 -19.706 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.453 18.420 -19.467 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.033 17.556 -19.036 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.719 16.470 -19.447 1.00 0.00 H new ATOM 380 N THR A 23 4.904 19.997 -23.345 1.00 0.00 N ATOM 381 CA THR A 23 5.828 21.085 -23.764 1.00 0.00 C ATOM 382 C THR A 23 5.035 22.248 -24.367 1.00 0.00 C ATOM 383 O THR A 23 3.827 22.196 -24.477 1.00 0.00 O ATOM 384 CB THR A 23 6.741 20.454 -24.817 1.00 0.00 C ATOM 385 OG1 THR A 23 7.133 19.158 -24.389 1.00 0.00 O ATOM 386 CG2 THR A 23 7.981 21.327 -25.010 1.00 0.00 C ATOM 0 H THR A 23 3.956 20.067 -23.714 1.00 0.00 H new ATOM 0 HA THR A 23 6.396 21.488 -22.925 1.00 0.00 H new ATOM 0 HB THR A 23 6.204 20.376 -25.762 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.446 19.201 -23.461 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.630 20.876 -25.760 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.679 22.320 -25.342 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.520 21.408 -24.066 1.00 0.00 H new ATOM 394 N ASN A 24 5.707 23.296 -24.757 1.00 0.00 N ATOM 395 CA ASN A 24 4.991 24.461 -25.353 1.00 0.00 C ATOM 396 C ASN A 24 3.919 23.979 -26.333 1.00 0.00 C ATOM 397 O ASN A 24 3.906 22.834 -26.740 1.00 0.00 O ATOM 398 CB ASN A 24 6.071 25.257 -26.087 1.00 0.00 C ATOM 399 CG ASN A 24 6.052 26.710 -25.606 1.00 0.00 C ATOM 400 OD1 ASN A 24 5.487 27.012 -24.575 1.00 0.00 O ATOM 401 ND2 ASN A 24 6.650 27.627 -26.316 1.00 0.00 N ATOM 0 H ASN A 24 6.720 23.397 -24.689 1.00 0.00 H new ATOM 0 HA ASN A 24 4.483 25.063 -24.599 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.051 24.815 -25.904 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.899 25.217 -27.163 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.643 28.598 -26.005 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.125 27.372 -27.182 1.00 0.00 H new ATOM 408 N GLU A 25 3.020 24.843 -26.716 1.00 0.00 N ATOM 409 CA GLU A 25 1.949 24.433 -27.669 1.00 0.00 C ATOM 410 C GLU A 25 1.418 25.654 -28.426 1.00 0.00 C ATOM 411 O GLU A 25 2.160 26.548 -28.781 1.00 0.00 O ATOM 412 CB GLU A 25 0.853 23.823 -26.797 1.00 0.00 C ATOM 413 CG GLU A 25 0.242 24.910 -25.910 1.00 0.00 C ATOM 414 CD GLU A 25 -0.288 24.280 -24.620 1.00 0.00 C ATOM 415 OE1 GLU A 25 0.481 23.603 -23.956 1.00 0.00 O ATOM 416 OE2 GLU A 25 -1.451 24.484 -24.318 1.00 0.00 O ATOM 0 H GLU A 25 2.980 25.815 -26.411 1.00 0.00 H new ATOM 0 HA GLU A 25 2.311 23.729 -28.418 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.082 23.375 -27.424 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.266 23.025 -26.180 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.991 25.667 -25.676 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.566 25.414 -26.440 1.00 0.00 H new ATOM 423 N PHE A 26 0.137 25.700 -28.671 1.00 0.00 N ATOM 424 CA PHE A 26 -0.441 26.864 -29.403 1.00 0.00 C ATOM 425 C PHE A 26 -1.968 26.763 -29.436 1.00 0.00 C ATOM 426 O PHE A 26 -2.526 25.691 -29.567 1.00 0.00 O ATOM 427 CB PHE A 26 0.134 26.768 -30.817 1.00 0.00 C ATOM 428 CG PHE A 26 0.928 28.015 -31.123 1.00 0.00 C ATOM 429 CD1 PHE A 26 0.484 29.259 -30.661 1.00 0.00 C ATOM 430 CD2 PHE A 26 2.110 27.926 -31.870 1.00 0.00 C ATOM 431 CE1 PHE A 26 1.221 30.416 -30.945 1.00 0.00 C ATOM 432 CE2 PHE A 26 2.846 29.082 -32.154 1.00 0.00 C ATOM 433 CZ PHE A 26 2.402 30.327 -31.692 1.00 0.00 C ATOM 0 H PHE A 26 -0.534 24.983 -28.396 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.196 27.814 -28.927 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.771 25.888 -30.903 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.672 26.650 -31.542 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.427 29.327 -30.085 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.453 26.966 -32.226 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.879 31.376 -30.588 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.757 29.014 -32.730 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.970 31.219 -31.912 1.00 0.00 H new ATOM 443 N TYR A 27 -2.648 27.871 -29.321 1.00 0.00 N ATOM 444 CA TYR A 27 -4.138 27.837 -29.345 1.00 0.00 C ATOM 445 C TYR A 27 -4.652 28.215 -30.737 1.00 0.00 C ATOM 446 O TYR A 27 -3.909 28.242 -31.698 1.00 0.00 O ATOM 447 CB TYR A 27 -4.576 28.875 -28.313 1.00 0.00 C ATOM 448 CG TYR A 27 -5.099 28.173 -27.082 1.00 0.00 C ATOM 449 CD1 TYR A 27 -5.999 27.108 -27.214 1.00 0.00 C ATOM 450 CD2 TYR A 27 -4.686 28.587 -25.811 1.00 0.00 C ATOM 451 CE1 TYR A 27 -6.485 26.458 -26.074 1.00 0.00 C ATOM 452 CE2 TYR A 27 -5.171 27.935 -24.670 1.00 0.00 C ATOM 453 CZ TYR A 27 -6.070 26.871 -24.802 1.00 0.00 C ATOM 454 OH TYR A 27 -6.549 26.228 -23.678 1.00 0.00 O ATOM 0 H TYR A 27 -2.237 28.798 -29.212 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.532 26.846 -29.118 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.736 29.517 -28.049 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.349 29.518 -28.734 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.318 26.789 -28.195 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.993 29.409 -25.710 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.180 25.638 -26.175 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.851 28.253 -23.689 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.161 26.637 -22.877 1.00 0.00 H new ATOM 464 N ALA A 28 -5.919 28.507 -30.853 1.00 0.00 N ATOM 465 CA ALA A 28 -6.479 28.882 -32.183 1.00 0.00 C ATOM 466 C ALA A 28 -8.003 29.016 -32.097 1.00 0.00 C ATOM 467 O ALA A 28 -8.637 28.065 -31.672 1.00 0.00 O ATOM 468 CB ALA A 28 -6.093 27.733 -33.115 1.00 0.00 C ATOM 469 OXT ALA A 28 -8.506 30.066 -32.459 1.00 0.00 O ATOM 0 H ALA A 28 -6.590 28.502 -30.085 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.096 29.839 -32.537 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.471 27.935 -34.117 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.007 27.640 -33.148 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.525 26.803 -32.745 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 -12.064 -24.978 10.761 1.00 0.00 N ATOM 477 CA ARG B 1 -13.295 -25.312 9.986 1.00 0.00 C ATOM 478 C ARG B 1 -13.334 -24.506 8.685 1.00 0.00 C ATOM 479 O ARG B 1 -14.103 -24.792 7.789 1.00 0.00 O ATOM 480 CB ARG B 1 -14.457 -24.915 10.897 1.00 0.00 C ATOM 481 CG ARG B 1 -15.195 -26.173 11.361 1.00 0.00 C ATOM 482 CD ARG B 1 -15.266 -26.190 12.889 1.00 0.00 C ATOM 483 NE ARG B 1 -16.636 -26.681 13.204 1.00 0.00 N ATOM 484 CZ ARG B 1 -16.840 -27.414 14.264 1.00 0.00 C ATOM 485 NH1 ARG B 1 -16.622 -28.700 14.221 1.00 0.00 N ATOM 486 NH2 ARG B 1 -17.260 -26.860 15.369 1.00 0.00 N ATOM 0 H1 ARG B 1 -11.996 -25.602 11.590 1.00 0.00 H new ATOM 0 H2 ARG B 1 -11.227 -25.111 10.158 1.00 0.00 H new ATOM 0 H3 ARG B 1 -12.110 -23.988 11.076 1.00 0.00 H new ATOM 0 HA ARG B 1 -13.336 -26.365 9.709 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -14.085 -24.360 11.758 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -15.141 -24.255 10.364 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -16.200 -26.194 10.940 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -14.680 -27.063 11.001 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -14.505 -26.845 13.313 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -15.098 -25.196 13.303 1.00 0.00 H new ATOM 0 HE ARG B 1 -17.416 -26.444 12.591 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -16.292 -29.133 13.358 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -16.782 -29.272 15.050 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -17.429 -25.855 15.403 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -17.420 -27.433 16.198 1.00 0.00 H new ATOM 502 N MET B 2 -12.509 -23.500 8.573 1.00 0.00 N ATOM 503 CA MET B 2 -12.500 -22.678 7.329 1.00 0.00 C ATOM 504 C MET B 2 -11.359 -23.122 6.410 1.00 0.00 C ATOM 505 O MET B 2 -10.402 -23.733 6.842 1.00 0.00 O ATOM 506 CB MET B 2 -12.278 -21.242 7.806 1.00 0.00 C ATOM 507 CG MET B 2 -13.610 -20.643 8.259 1.00 0.00 C ATOM 508 SD MET B 2 -13.714 -18.920 7.711 1.00 0.00 S ATOM 509 CE MET B 2 -12.650 -18.210 8.991 1.00 0.00 C ATOM 0 H MET B 2 -11.841 -23.212 9.289 1.00 0.00 H new ATOM 0 HA MET B 2 -13.423 -22.780 6.759 1.00 0.00 H new ATOM 0 HB2 MET B 2 -11.562 -21.227 8.628 1.00 0.00 H new ATOM 0 HB3 MET B 2 -11.852 -20.642 7.002 1.00 0.00 H new ATOM 0 HG2 MET B 2 -14.439 -21.218 7.846 1.00 0.00 H new ATOM 0 HG3 MET B 2 -13.695 -20.696 9.344 1.00 0.00 H new ATOM 0 HE1 MET B 2 -12.572 -17.133 8.843 1.00 0.00 H new ATOM 0 HE2 MET B 2 -13.078 -18.411 9.973 1.00 0.00 H new ATOM 0 HE3 MET B 2 -11.658 -18.658 8.929 1.00 0.00 H new ATOM 519 N LYS B 3 -11.454 -22.821 5.144 1.00 0.00 N ATOM 520 CA LYS B 3 -10.373 -23.226 4.198 1.00 0.00 C ATOM 521 C LYS B 3 -9.863 -22.007 3.424 1.00 0.00 C ATOM 522 O LYS B 3 -10.444 -20.941 3.474 1.00 0.00 O ATOM 523 CB LYS B 3 -11.033 -24.227 3.249 1.00 0.00 C ATOM 524 CG LYS B 3 -9.962 -24.895 2.386 1.00 0.00 C ATOM 525 CD LYS B 3 -8.853 -25.445 3.284 1.00 0.00 C ATOM 526 CE LYS B 3 -9.471 -26.275 4.411 1.00 0.00 C ATOM 527 NZ LYS B 3 -8.325 -26.996 5.031 1.00 0.00 N ATOM 0 H LYS B 3 -12.232 -22.313 4.723 1.00 0.00 H new ATOM 0 HA LYS B 3 -9.514 -23.657 4.712 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -11.577 -24.980 3.819 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -11.760 -23.719 2.616 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -10.403 -25.701 1.800 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -9.549 -24.176 1.679 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -8.169 -26.059 2.699 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -8.268 -24.625 3.701 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -9.977 -25.639 5.138 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -10.214 -26.973 4.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -8.670 -27.588 5.814 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -7.867 -27.598 4.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -7.637 -26.306 5.395 1.00 0.00 H new ATOM 541 N LYS B 4 -8.782 -22.157 2.709 1.00 0.00 N ATOM 542 CA LYS B 4 -8.237 -21.006 1.933 1.00 0.00 C ATOM 543 C LYS B 4 -8.206 -21.343 0.440 1.00 0.00 C ATOM 544 O LYS B 4 -9.064 -22.040 -0.067 1.00 0.00 O ATOM 545 CB LYS B 4 -6.818 -20.807 2.466 1.00 0.00 C ATOM 546 CG LYS B 4 -6.439 -19.328 2.367 1.00 0.00 C ATOM 547 CD LYS B 4 -6.486 -18.693 3.759 1.00 0.00 C ATOM 548 CE LYS B 4 -6.425 -17.170 3.629 1.00 0.00 C ATOM 549 NZ LYS B 4 -7.724 -16.785 3.008 1.00 0.00 N ATOM 0 H LYS B 4 -8.253 -23.025 2.628 1.00 0.00 H new ATOM 0 HA LYS B 4 -8.845 -20.108 2.044 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -6.757 -21.141 3.502 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.115 -21.413 1.894 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -5.440 -19.226 1.943 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -7.125 -18.810 1.696 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -7.400 -18.988 4.274 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -5.651 -19.051 4.362 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -6.296 -16.695 4.602 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -5.584 -16.860 3.009 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -8.069 -15.905 3.442 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -7.591 -16.639 1.987 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -8.420 -17.542 3.161 1.00 0.00 H new ATOM 563 N LYS B 5 -7.226 -20.854 -0.269 1.00 0.00 N ATOM 564 CA LYS B 5 -7.143 -21.146 -1.729 1.00 0.00 C ATOM 565 C LYS B 5 -5.682 -21.321 -2.152 1.00 0.00 C ATOM 566 O LYS B 5 -4.773 -21.155 -1.362 1.00 0.00 O ATOM 567 CB LYS B 5 -7.764 -19.930 -2.423 1.00 0.00 C ATOM 568 CG LYS B 5 -7.294 -18.636 -1.747 1.00 0.00 C ATOM 569 CD LYS B 5 -5.822 -18.383 -2.081 1.00 0.00 C ATOM 570 CE LYS B 5 -5.609 -18.502 -3.592 1.00 0.00 C ATOM 571 NZ LYS B 5 -6.704 -17.695 -4.199 1.00 0.00 N ATOM 0 H LYS B 5 -6.479 -20.265 0.099 1.00 0.00 H new ATOM 0 HA LYS B 5 -7.662 -22.068 -1.992 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -7.484 -19.921 -3.476 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -8.851 -19.995 -2.383 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -7.903 -17.797 -2.084 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -7.424 -18.711 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -5.527 -17.391 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -5.191 -19.101 -1.557 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -4.630 -18.122 -3.884 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -5.658 -19.541 -3.917 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -6.421 -17.386 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -7.566 -18.273 -4.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -6.891 -16.862 -3.605 1.00 0.00 H new ATOM 585 N ASP B 6 -5.448 -21.656 -3.392 1.00 0.00 N ATOM 586 CA ASP B 6 -4.046 -21.842 -3.862 1.00 0.00 C ATOM 587 C ASP B 6 -3.791 -20.995 -5.112 1.00 0.00 C ATOM 588 O ASP B 6 -4.678 -20.338 -5.620 1.00 0.00 O ATOM 589 CB ASP B 6 -3.933 -23.331 -4.191 1.00 0.00 C ATOM 590 CG ASP B 6 -4.090 -24.150 -2.909 1.00 0.00 C ATOM 591 OD1 ASP B 6 -3.946 -23.578 -1.841 1.00 0.00 O ATOM 592 OD2 ASP B 6 -4.350 -25.337 -3.017 1.00 0.00 O ATOM 0 H ASP B 6 -6.167 -21.809 -4.099 1.00 0.00 H new ATOM 0 HA ASP B 6 -3.315 -21.533 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -4.700 -23.614 -4.912 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -2.968 -23.540 -4.653 1.00 0.00 H new ATOM 597 N GLU B 7 -2.585 -21.006 -5.611 1.00 0.00 N ATOM 598 CA GLU B 7 -2.274 -20.200 -6.827 1.00 0.00 C ATOM 599 C GLU B 7 -2.604 -21.002 -8.091 1.00 0.00 C ATOM 600 O GLU B 7 -3.196 -22.060 -8.028 1.00 0.00 O ATOM 601 CB GLU B 7 -0.774 -19.921 -6.746 1.00 0.00 C ATOM 602 CG GLU B 7 -0.421 -19.436 -5.338 1.00 0.00 C ATOM 603 CD GLU B 7 0.170 -20.594 -4.531 1.00 0.00 C ATOM 604 OE1 GLU B 7 1.334 -20.898 -4.734 1.00 0.00 O ATOM 605 OE2 GLU B 7 -0.552 -21.157 -3.725 1.00 0.00 O ATOM 0 H GLU B 7 -1.802 -21.537 -5.230 1.00 0.00 H new ATOM 0 HA GLU B 7 -2.857 -19.280 -6.873 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -0.212 -20.824 -6.983 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.493 -19.168 -7.483 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.294 -18.615 -5.393 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.311 -19.050 -4.841 1.00 0.00 H new ATOM 612 N GLY B 8 -2.223 -20.504 -9.236 1.00 0.00 N ATOM 613 CA GLY B 8 -2.514 -21.239 -10.499 1.00 0.00 C ATOM 614 C GLY B 8 -1.675 -20.653 -11.636 1.00 0.00 C ATOM 615 O GLY B 8 -0.533 -21.018 -11.830 1.00 0.00 O ATOM 0 H GLY B 8 -1.724 -19.622 -9.351 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -2.289 -22.298 -10.376 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.574 -21.164 -10.740 1.00 0.00 H new ATOM 619 N SER B 9 -2.231 -19.743 -12.388 1.00 0.00 N ATOM 620 CA SER B 9 -1.466 -19.132 -13.508 1.00 0.00 C ATOM 621 C SER B 9 -2.232 -17.938 -14.084 1.00 0.00 C ATOM 622 O SER B 9 -2.808 -18.013 -15.151 1.00 0.00 O ATOM 623 CB SER B 9 -1.333 -20.240 -14.551 1.00 0.00 C ATOM 624 OG SER B 9 -0.167 -21.005 -14.278 1.00 0.00 O ATOM 0 H SER B 9 -3.184 -19.397 -12.274 1.00 0.00 H new ATOM 0 HA SER B 9 -0.494 -18.758 -13.187 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.215 -20.881 -14.532 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.273 -19.809 -15.550 1.00 0.00 H new ATOM 0 HG SER B 9 0.100 -20.872 -13.345 1.00 0.00 H new ATOM 630 N TYR B 10 -2.244 -16.836 -13.385 1.00 0.00 N ATOM 631 CA TYR B 10 -2.973 -15.638 -13.893 1.00 0.00 C ATOM 632 C TYR B 10 -2.903 -14.503 -12.869 1.00 0.00 C ATOM 633 O TYR B 10 -3.329 -14.645 -11.739 1.00 0.00 O ATOM 634 CB TYR B 10 -4.418 -16.105 -14.079 1.00 0.00 C ATOM 635 CG TYR B 10 -5.312 -14.904 -14.280 1.00 0.00 C ATOM 636 CD1 TYR B 10 -5.707 -14.133 -13.180 1.00 0.00 C ATOM 637 CD2 TYR B 10 -5.746 -14.562 -15.567 1.00 0.00 C ATOM 638 CE1 TYR B 10 -6.536 -13.021 -13.366 1.00 0.00 C ATOM 639 CE2 TYR B 10 -6.576 -13.450 -15.753 1.00 0.00 C ATOM 640 CZ TYR B 10 -6.970 -12.680 -14.652 1.00 0.00 C ATOM 641 OH TYR B 10 -7.788 -11.582 -14.836 1.00 0.00 O ATOM 0 H TYR B 10 -1.781 -16.713 -12.485 1.00 0.00 H new ATOM 0 HA TYR B 10 -2.545 -15.255 -14.820 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -4.488 -16.772 -14.938 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -4.743 -16.672 -13.207 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -5.372 -14.397 -12.188 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.440 -15.156 -16.416 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -6.841 -12.426 -12.518 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -6.912 -13.186 -16.745 1.00 0.00 H new ATOM 0 HH TYR B 10 -7.597 -10.913 -14.146 1.00 0.00 H new ATOM 651 N ASP B 11 -2.369 -13.376 -13.253 1.00 0.00 N ATOM 652 CA ASP B 11 -2.273 -12.235 -12.306 1.00 0.00 C ATOM 653 C ASP B 11 -1.845 -10.964 -13.047 1.00 0.00 C ATOM 654 O ASP B 11 -2.666 -10.206 -13.523 1.00 0.00 O ATOM 655 CB ASP B 11 -1.208 -12.652 -11.293 1.00 0.00 C ATOM 656 CG ASP B 11 -1.884 -13.147 -10.014 1.00 0.00 C ATOM 657 OD1 ASP B 11 -2.547 -12.350 -9.371 1.00 0.00 O ATOM 658 OD2 ASP B 11 -1.728 -14.315 -9.698 1.00 0.00 O ATOM 0 H ASP B 11 -1.995 -13.198 -14.185 1.00 0.00 H new ATOM 0 HA ASP B 11 -3.227 -12.014 -11.827 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -0.580 -13.438 -11.713 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -0.555 -11.809 -11.068 1.00 0.00 H new ATOM 663 N LEU B 12 -0.566 -10.728 -13.148 1.00 0.00 N ATOM 664 CA LEU B 12 -0.087 -9.508 -13.858 1.00 0.00 C ATOM 665 C LEU B 12 -0.843 -8.273 -13.356 1.00 0.00 C ATOM 666 O LEU B 12 -1.682 -8.361 -12.482 1.00 0.00 O ATOM 667 CB LEU B 12 -0.395 -9.762 -15.334 1.00 0.00 C ATOM 668 CG LEU B 12 0.751 -10.553 -15.965 1.00 0.00 C ATOM 669 CD1 LEU B 12 0.860 -11.922 -15.290 1.00 0.00 C ATOM 670 CD2 LEU B 12 0.475 -10.744 -17.459 1.00 0.00 C ATOM 0 H LEU B 12 0.168 -11.327 -12.770 1.00 0.00 H new ATOM 0 HA LEU B 12 0.974 -9.321 -13.689 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.329 -10.315 -15.432 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.529 -8.815 -15.857 1.00 0.00 H new ATOM 0 HG LEU B 12 1.685 -10.007 -15.832 1.00 0.00 H new ATOM 0 HD11 LEU B 12 1.677 -12.486 -15.740 1.00 0.00 H new ATOM 0 HD12 LEU B 12 1.054 -11.789 -14.226 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.074 -12.468 -15.423 1.00 0.00 H new ATOM 0 HD21 LEU B 12 1.291 -11.308 -17.911 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.459 -11.290 -17.589 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.396 -9.770 -17.942 1.00 0.00 H new ATOM 682 N GLY B 13 -0.552 -7.124 -13.903 1.00 0.00 N ATOM 683 CA GLY B 13 -1.254 -5.888 -13.458 1.00 0.00 C ATOM 684 C GLY B 13 -2.492 -5.662 -14.326 1.00 0.00 C ATOM 685 O GLY B 13 -3.564 -6.153 -14.034 1.00 0.00 O ATOM 0 H GLY B 13 0.141 -6.989 -14.639 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.543 -5.979 -12.411 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -0.585 -5.031 -13.531 1.00 0.00 H new ATOM 689 N LYS B 14 -2.353 -4.924 -15.393 1.00 0.00 N ATOM 690 CA LYS B 14 -3.522 -4.669 -16.281 1.00 0.00 C ATOM 691 C LYS B 14 -3.066 -3.991 -17.576 1.00 0.00 C ATOM 692 O LYS B 14 -2.665 -4.644 -18.520 1.00 0.00 O ATOM 693 CB LYS B 14 -4.440 -3.748 -15.475 1.00 0.00 C ATOM 694 CG LYS B 14 -5.483 -4.587 -14.735 1.00 0.00 C ATOM 695 CD LYS B 14 -6.879 -4.022 -15.004 1.00 0.00 C ATOM 696 CE LYS B 14 -7.778 -4.279 -13.793 1.00 0.00 C ATOM 697 NZ LYS B 14 -8.678 -5.389 -14.211 1.00 0.00 N ATOM 0 H LYS B 14 -1.480 -4.487 -15.688 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.030 -5.588 -16.573 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -3.855 -3.166 -14.763 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -4.933 -3.038 -16.138 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -5.430 -5.625 -15.064 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -5.277 -4.581 -13.665 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -6.817 -2.952 -15.203 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -7.306 -4.488 -15.892 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -7.191 -4.555 -12.917 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -8.347 -3.388 -13.527 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -9.326 -5.623 -13.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -9.229 -5.095 -15.043 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -8.109 -6.226 -14.451 1.00 0.00 H new ATOM 711 N LYS B 15 -3.127 -2.691 -17.631 1.00 0.00 N ATOM 712 CA LYS B 15 -2.697 -1.976 -18.868 1.00 0.00 C ATOM 713 C LYS B 15 -1.649 -0.912 -18.525 1.00 0.00 C ATOM 714 O LYS B 15 -1.877 -0.069 -17.680 1.00 0.00 O ATOM 715 CB LYS B 15 -3.970 -1.321 -19.407 1.00 0.00 C ATOM 716 CG LYS B 15 -4.974 -2.405 -19.801 1.00 0.00 C ATOM 717 CD LYS B 15 -5.691 -1.992 -21.089 1.00 0.00 C ATOM 718 CE LYS B 15 -7.041 -2.708 -21.175 1.00 0.00 C ATOM 719 NZ LYS B 15 -7.534 -2.436 -22.553 1.00 0.00 N ATOM 0 H LYS B 15 -3.456 -2.091 -16.874 1.00 0.00 H new ATOM 0 HA LYS B 15 -2.242 -2.646 -19.598 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -4.403 -0.667 -18.651 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -3.734 -0.698 -20.270 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -4.461 -3.356 -19.947 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -5.698 -2.553 -19.000 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -5.839 -0.912 -21.105 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -5.079 -2.243 -21.955 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -6.932 -3.778 -20.999 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -7.736 -2.331 -20.425 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -8.457 -2.895 -22.688 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -7.634 -1.410 -22.690 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -6.855 -2.813 -23.245 1.00 0.00 H new ATOM 733 N PRO B 16 -0.532 -0.987 -19.198 1.00 0.00 N ATOM 734 CA PRO B 16 0.566 -0.017 -18.962 1.00 0.00 C ATOM 735 C PRO B 16 0.206 1.352 -19.546 1.00 0.00 C ATOM 736 O PRO B 16 0.235 1.555 -20.744 1.00 0.00 O ATOM 737 CB PRO B 16 1.750 -0.630 -19.704 1.00 0.00 C ATOM 738 CG PRO B 16 1.140 -1.495 -20.760 1.00 0.00 C ATOM 739 CD PRO B 16 -0.188 -1.972 -20.230 1.00 0.00 C ATOM 0 HA PRO B 16 0.771 0.149 -17.904 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.383 0.141 -20.143 1.00 0.00 H new ATOM 0 HB3 PRO B 16 2.378 -1.213 -19.031 1.00 0.00 H new ATOM 0 HG2 PRO B 16 1.007 -0.936 -21.686 1.00 0.00 H new ATOM 0 HG3 PRO B 16 1.790 -2.340 -20.988 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -0.942 -2.007 -21.016 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -0.114 -2.977 -19.814 1.00 0.00 H new ATOM 747 N ILE B 17 -0.135 2.294 -18.709 1.00 0.00 N ATOM 748 CA ILE B 17 -0.496 3.648 -19.216 1.00 0.00 C ATOM 749 C ILE B 17 0.750 4.536 -19.284 1.00 0.00 C ATOM 750 O ILE B 17 1.847 4.104 -18.994 1.00 0.00 O ATOM 751 CB ILE B 17 -1.495 4.205 -18.205 1.00 0.00 C ATOM 752 CG1 ILE B 17 -2.488 3.111 -17.803 1.00 0.00 C ATOM 753 CG2 ILE B 17 -2.256 5.375 -18.829 1.00 0.00 C ATOM 754 CD1 ILE B 17 -2.123 2.575 -16.417 1.00 0.00 C ATOM 0 H ILE B 17 -0.179 2.184 -17.696 1.00 0.00 H new ATOM 0 HA ILE B 17 -0.917 3.610 -20.221 1.00 0.00 H new ATOM 0 HB ILE B 17 -0.957 4.549 -17.321 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.502 3.511 -17.795 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -2.470 2.302 -18.534 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.969 5.772 -18.106 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -1.552 6.158 -19.112 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.790 5.031 -19.714 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -2.830 1.796 -16.130 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.115 2.160 -16.441 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -2.163 3.387 -15.691 1.00 0.00 H new ATOM 766 N TYR B 18 0.589 5.774 -19.664 1.00 0.00 N ATOM 767 CA TYR B 18 1.765 6.687 -19.749 1.00 0.00 C ATOM 768 C TYR B 18 1.297 8.141 -19.852 1.00 0.00 C ATOM 769 O TYR B 18 1.203 8.699 -20.927 1.00 0.00 O ATOM 770 CB TYR B 18 2.499 6.269 -21.023 1.00 0.00 C ATOM 771 CG TYR B 18 3.986 6.446 -20.828 1.00 0.00 C ATOM 772 CD1 TYR B 18 4.644 5.759 -19.800 1.00 0.00 C ATOM 773 CD2 TYR B 18 4.706 7.297 -21.674 1.00 0.00 C ATOM 774 CE1 TYR B 18 6.023 5.924 -19.619 1.00 0.00 C ATOM 775 CE2 TYR B 18 6.085 7.461 -21.493 1.00 0.00 C ATOM 776 CZ TYR B 18 6.743 6.775 -20.466 1.00 0.00 C ATOM 777 OH TYR B 18 8.102 6.936 -20.286 1.00 0.00 O ATOM 0 H TYR B 18 -0.305 6.193 -19.919 1.00 0.00 H new ATOM 0 HA TYR B 18 2.405 6.620 -18.869 1.00 0.00 H new ATOM 0 HB2 TYR B 18 2.274 5.229 -21.261 1.00 0.00 H new ATOM 0 HB3 TYR B 18 2.158 6.870 -21.866 1.00 0.00 H new ATOM 0 HD1 TYR B 18 4.088 5.102 -19.147 1.00 0.00 H new ATOM 0 HD2 TYR B 18 4.198 7.827 -22.466 1.00 0.00 H new ATOM 0 HE1 TYR B 18 6.531 5.395 -18.826 1.00 0.00 H new ATOM 0 HE2 TYR B 18 6.641 8.117 -22.146 1.00 0.00 H new ATOM 0 HH TYR B 18 8.449 7.559 -20.958 1.00 0.00 H new ATOM 787 N LYS B 19 1.002 8.760 -18.741 1.00 0.00 N ATOM 788 CA LYS B 19 0.541 10.178 -18.776 1.00 0.00 C ATOM 789 C LYS B 19 0.970 10.907 -17.500 1.00 0.00 C ATOM 790 O LYS B 19 1.277 10.293 -16.497 1.00 0.00 O ATOM 791 CB LYS B 19 -0.984 10.095 -18.861 1.00 0.00 C ATOM 792 CG LYS B 19 -1.533 11.390 -19.464 1.00 0.00 C ATOM 793 CD LYS B 19 -1.051 11.525 -20.910 1.00 0.00 C ATOM 794 CE LYS B 19 -0.504 12.935 -21.136 1.00 0.00 C ATOM 795 NZ LYS B 19 -0.811 13.242 -22.562 1.00 0.00 N ATOM 0 H LYS B 19 1.060 8.345 -17.811 1.00 0.00 H new ATOM 0 HA LYS B 19 0.967 10.731 -19.613 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.279 9.243 -19.473 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.406 9.936 -17.869 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.623 11.385 -19.432 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -1.200 12.246 -18.877 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -0.277 10.786 -21.117 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -1.873 11.328 -21.598 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -0.976 13.654 -20.467 1.00 0.00 H new ATOM 0 HE3 LYS B 19 0.568 12.978 -20.945 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -0.322 14.116 -22.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -0.489 12.457 -23.163 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -1.837 13.367 -22.677 1.00 0.00 H new ATOM 809 N LYS B 20 0.992 12.211 -17.530 1.00 0.00 N ATOM 810 CA LYS B 20 1.399 12.981 -16.320 1.00 0.00 C ATOM 811 C LYS B 20 1.569 14.461 -16.669 1.00 0.00 C ATOM 812 O LYS B 20 2.123 14.809 -17.694 1.00 0.00 O ATOM 813 CB LYS B 20 2.735 12.374 -15.889 1.00 0.00 C ATOM 814 CG LYS B 20 2.603 11.801 -14.476 1.00 0.00 C ATOM 815 CD LYS B 20 3.360 12.693 -13.491 1.00 0.00 C ATOM 816 CE LYS B 20 2.394 13.208 -12.422 1.00 0.00 C ATOM 817 NZ LYS B 20 2.905 14.560 -12.058 1.00 0.00 N ATOM 0 H LYS B 20 0.745 12.778 -18.341 1.00 0.00 H new ATOM 0 HA LYS B 20 0.654 12.925 -15.526 1.00 0.00 H new ATOM 0 HB2 LYS B 20 3.031 11.589 -16.585 1.00 0.00 H new ATOM 0 HB3 LYS B 20 3.516 13.134 -15.913 1.00 0.00 H new ATOM 0 HG2 LYS B 20 1.552 11.740 -14.194 1.00 0.00 H new ATOM 0 HG3 LYS B 20 3.001 10.787 -14.445 1.00 0.00 H new ATOM 0 HD2 LYS B 20 4.170 12.132 -13.025 1.00 0.00 H new ATOM 0 HD3 LYS B 20 3.815 13.531 -14.019 1.00 0.00 H new ATOM 0 HE2 LYS B 20 1.375 13.261 -12.804 1.00 0.00 H new ATOM 0 HE3 LYS B 20 2.375 12.547 -11.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 2.293 14.978 -11.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 3.875 14.477 -11.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 2.905 15.170 -12.901 1.00 0.00 H new ATOM 831 N ALA B 21 1.098 15.338 -15.825 1.00 0.00 N ATOM 832 CA ALA B 21 1.233 16.796 -16.110 1.00 0.00 C ATOM 833 C ALA B 21 2.061 17.474 -15.014 1.00 0.00 C ATOM 834 O ALA B 21 1.593 17.662 -13.908 1.00 0.00 O ATOM 835 CB ALA B 21 -0.198 17.333 -16.111 1.00 0.00 C ATOM 0 H ALA B 21 0.626 15.109 -14.951 1.00 0.00 H new ATOM 0 HA ALA B 21 1.740 16.987 -17.055 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.185 18.404 -16.314 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.777 16.824 -16.882 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -0.654 17.154 -15.137 1.00 0.00 H new ATOM 841 N PRO B 22 3.269 17.818 -15.363 1.00 0.00 N ATOM 842 CA PRO B 22 4.181 18.484 -14.401 1.00 0.00 C ATOM 843 C PRO B 22 3.745 19.933 -14.167 1.00 0.00 C ATOM 844 O PRO B 22 2.688 20.350 -14.596 1.00 0.00 O ATOM 845 CB PRO B 22 5.538 18.429 -15.097 1.00 0.00 C ATOM 846 CG PRO B 22 5.222 18.330 -16.556 1.00 0.00 C ATOM 847 CD PRO B 22 3.896 17.622 -16.675 1.00 0.00 C ATOM 0 HA PRO B 22 4.192 18.009 -13.420 1.00 0.00 H new ATOM 0 HB2 PRO B 22 6.129 19.319 -14.881 1.00 0.00 H new ATOM 0 HB3 PRO B 22 6.120 17.571 -14.760 1.00 0.00 H new ATOM 0 HG2 PRO B 22 5.172 19.321 -17.007 1.00 0.00 H new ATOM 0 HG3 PRO B 22 6.001 17.779 -17.083 1.00 0.00 H new ATOM 0 HD2 PRO B 22 3.288 18.045 -17.475 1.00 0.00 H new ATOM 0 HD3 PRO B 22 4.028 16.564 -16.900 1.00 0.00 H new ATOM 855 N THR B 23 4.554 20.704 -13.492 1.00 0.00 N ATOM 856 CA THR B 23 4.191 22.123 -13.233 1.00 0.00 C ATOM 857 C THR B 23 5.417 22.905 -12.754 1.00 0.00 C ATOM 858 O THR B 23 6.493 22.359 -12.605 1.00 0.00 O ATOM 859 CB THR B 23 3.125 22.071 -12.136 1.00 0.00 C ATOM 860 OG1 THR B 23 2.210 21.021 -12.415 1.00 0.00 O ATOM 861 CG2 THR B 23 2.377 23.404 -12.084 1.00 0.00 C ATOM 0 H THR B 23 5.452 20.410 -13.109 1.00 0.00 H new ATOM 0 HA THR B 23 3.826 22.623 -14.130 1.00 0.00 H new ATOM 0 HB THR B 23 3.603 21.889 -11.174 1.00 0.00 H new ATOM 0 HG1 THR B 23 1.981 21.031 -13.368 1.00 0.00 H new ATOM 0 HG21 THR B 23 1.618 23.365 -11.302 1.00 0.00 H new ATOM 0 HG22 THR B 23 3.081 24.208 -11.867 1.00 0.00 H new ATOM 0 HG23 THR B 23 1.898 23.590 -13.045 1.00 0.00 H new ATOM 869 N ASN B 24 5.264 24.177 -12.512 1.00 0.00 N ATOM 870 CA ASN B 24 6.422 24.992 -12.043 1.00 0.00 C ATOM 871 C ASN B 24 7.215 24.224 -10.982 1.00 0.00 C ATOM 872 O ASN B 24 6.752 23.239 -10.440 1.00 0.00 O ATOM 873 CB ASN B 24 5.801 26.252 -11.440 1.00 0.00 C ATOM 874 CG ASN B 24 6.421 27.490 -12.092 1.00 0.00 C ATOM 875 OD1 ASN B 24 7.033 27.397 -13.137 1.00 0.00 O ATOM 876 ND2 ASN B 24 6.287 28.653 -11.515 1.00 0.00 N ATOM 0 H ASN B 24 4.388 24.688 -12.618 1.00 0.00 H new ATOM 0 HA ASN B 24 7.116 25.226 -12.850 1.00 0.00 H new ATOM 0 HB2 ASN B 24 4.722 26.248 -11.595 1.00 0.00 H new ATOM 0 HB3 ASN B 24 5.968 26.273 -10.363 1.00 0.00 H new ATOM 0 HD21 ASN B 24 6.696 29.484 -11.942 1.00 0.00 H new ATOM 0 HD22 ASN B 24 5.773 28.731 -10.637 1.00 0.00 H new ATOM 883 N GLU B 25 8.406 24.664 -10.683 1.00 0.00 N ATOM 884 CA GLU B 25 9.226 23.958 -9.658 1.00 0.00 C ATOM 885 C GLU B 25 10.246 24.920 -9.043 1.00 0.00 C ATOM 886 O GLU B 25 9.961 26.080 -8.816 1.00 0.00 O ATOM 887 CB GLU B 25 9.938 22.840 -10.421 1.00 0.00 C ATOM 888 CG GLU B 25 10.927 23.449 -11.415 1.00 0.00 C ATOM 889 CD GLU B 25 11.104 22.503 -12.604 1.00 0.00 C ATOM 890 OE1 GLU B 25 10.104 22.141 -13.202 1.00 0.00 O ATOM 891 OE2 GLU B 25 12.237 22.157 -12.897 1.00 0.00 O ATOM 0 H GLU B 25 8.847 25.482 -11.104 1.00 0.00 H new ATOM 0 HA GLU B 25 8.619 23.571 -8.839 1.00 0.00 H new ATOM 0 HB2 GLU B 25 10.463 22.187 -9.724 1.00 0.00 H new ATOM 0 HB3 GLU B 25 9.209 22.224 -10.948 1.00 0.00 H new ATOM 0 HG2 GLU B 25 10.564 24.418 -11.758 1.00 0.00 H new ATOM 0 HG3 GLU B 25 11.887 23.623 -10.929 1.00 0.00 H new ATOM 898 N PHE B 26 11.432 24.449 -8.769 1.00 0.00 N ATOM 899 CA PHE B 26 12.468 25.338 -8.168 1.00 0.00 C ATOM 900 C PHE B 26 13.808 24.603 -8.081 1.00 0.00 C ATOM 901 O PHE B 26 13.863 23.421 -7.808 1.00 0.00 O ATOM 902 CB PHE B 26 11.944 25.666 -6.769 1.00 0.00 C ATOM 903 CG PHE B 26 11.762 27.159 -6.638 1.00 0.00 C ATOM 904 CD1 PHE B 26 12.679 28.032 -7.235 1.00 0.00 C ATOM 905 CD2 PHE B 26 10.675 27.671 -5.918 1.00 0.00 C ATOM 906 CE1 PHE B 26 12.510 29.416 -7.113 1.00 0.00 C ATOM 907 CE2 PHE B 26 10.506 29.055 -5.796 1.00 0.00 C ATOM 908 CZ PHE B 26 11.423 29.928 -6.393 1.00 0.00 C ATOM 0 H PHE B 26 11.729 23.487 -8.935 1.00 0.00 H new ATOM 0 HA PHE B 26 12.637 26.237 -8.761 1.00 0.00 H new ATOM 0 HB2 PHE B 26 10.996 25.157 -6.595 1.00 0.00 H new ATOM 0 HB3 PHE B 26 12.643 25.306 -6.014 1.00 0.00 H new ATOM 0 HD1 PHE B 26 13.517 27.637 -7.790 1.00 0.00 H new ATOM 0 HD2 PHE B 26 9.967 26.998 -5.457 1.00 0.00 H new ATOM 0 HE1 PHE B 26 13.218 30.089 -7.574 1.00 0.00 H new ATOM 0 HE2 PHE B 26 9.668 29.450 -5.241 1.00 0.00 H new ATOM 0 HZ PHE B 26 11.292 30.996 -6.299 1.00 0.00 H new ATOM 918 N TYR B 27 14.890 25.296 -8.312 1.00 0.00 N ATOM 919 CA TYR B 27 16.226 24.637 -8.243 1.00 0.00 C ATOM 920 C TYR B 27 16.889 24.927 -6.894 1.00 0.00 C ATOM 921 O TYR B 27 16.254 25.383 -5.964 1.00 0.00 O ATOM 922 CB TYR B 27 17.034 25.258 -9.382 1.00 0.00 C ATOM 923 CG TYR B 27 17.177 24.257 -10.503 1.00 0.00 C ATOM 924 CD1 TYR B 27 17.544 22.937 -10.219 1.00 0.00 C ATOM 925 CD2 TYR B 27 16.943 24.650 -11.826 1.00 0.00 C ATOM 926 CE1 TYR B 27 17.676 22.008 -11.258 1.00 0.00 C ATOM 927 CE2 TYR B 27 17.076 23.722 -12.865 1.00 0.00 C ATOM 928 CZ TYR B 27 17.443 22.400 -12.582 1.00 0.00 C ATOM 929 OH TYR B 27 17.574 21.485 -13.606 1.00 0.00 O ATOM 0 H TYR B 27 14.907 26.289 -8.545 1.00 0.00 H new ATOM 0 HA TYR B 27 16.157 23.553 -8.337 1.00 0.00 H new ATOM 0 HB2 TYR B 27 16.538 26.158 -9.745 1.00 0.00 H new ATOM 0 HB3 TYR B 27 18.018 25.559 -9.022 1.00 0.00 H new ATOM 0 HD1 TYR B 27 17.725 22.635 -9.198 1.00 0.00 H new ATOM 0 HD2 TYR B 27 16.660 25.669 -12.045 1.00 0.00 H new ATOM 0 HE1 TYR B 27 17.958 20.989 -11.038 1.00 0.00 H new ATOM 0 HE2 TYR B 27 16.896 24.025 -13.886 1.00 0.00 H new ATOM 0 HH TYR B 27 17.376 21.921 -14.461 1.00 0.00 H new ATOM 939 N ALA B 28 18.163 24.666 -6.780 1.00 0.00 N ATOM 940 CA ALA B 28 18.864 24.927 -5.490 1.00 0.00 C ATOM 941 C ALA B 28 20.298 24.391 -5.550 1.00 0.00 C ATOM 942 O ALA B 28 20.458 23.216 -5.840 1.00 0.00 O ATOM 943 CB ALA B 28 18.054 24.172 -4.437 1.00 0.00 C ATOM 944 OXT ALA B 28 21.210 25.164 -5.305 1.00 0.00 O ATOM 0 H ALA B 28 18.748 24.284 -7.523 1.00 0.00 H new ATOM 0 HA ALA B 28 18.931 25.991 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA B 28 18.508 24.315 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA B 28 17.032 24.552 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA B 28 18.043 23.109 -4.680 1.00 0.00 H new TER 950 ALA B 28