USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 GLN : amide:sc= 2.03 K(o=2.7,f=-3!) USER MOD Set 1.2: A 50 SER OG : rot -68:sc= 0.637 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0424) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.381 (180deg=-0.529) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0546 USER MOD Single : A 9 GLN : amide:sc= 1.35 K(o=1.4,f=-0.047) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 174:sc=-0.00744 (180deg=-0.0566) USER MOD Single : A 22 SER OG : rot 83:sc= 1.04 USER MOD Single : A 23 THR OG1 : rot 70:sc= 0.986 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0321) USER MOD Single : A 30 THR OG1 : rot 81:sc= 2.28 USER MOD Single : A 32 THR OG1 : rot 80:sc= 0.745 USER MOD Single : A 33 SER OG : rot -79:sc= 1.07 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 71:sc= 1.24 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 43 LYS NZ :NH3+ -144:sc= 1.16 (180deg=0.377) USER MOD Single : A 44 ASN : amide:sc= 1.66 K(o=1.7,f=-0.0061) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -154:sc= 0 (180deg=-0.0442) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= 1.02 (180deg=1.02) USER MOD Single : A 51 GLN : amide:sc= -0.198! C(o=-0.2!,f=-3.7!) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc=-0.00242 (180deg=-0.0437) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.849 10.338 10.902 1.00 0.00 N ATOM 2 CA MET A 1 -17.960 9.861 9.530 1.00 0.00 C ATOM 3 C MET A 1 -16.853 8.853 9.189 1.00 0.00 C ATOM 4 O MET A 1 -16.716 8.453 8.033 1.00 0.00 O ATOM 5 CB MET A 1 -17.954 11.055 8.564 1.00 0.00 C ATOM 6 CG MET A 1 -19.106 12.026 8.855 1.00 0.00 C ATOM 7 SD MET A 1 -19.357 13.350 7.642 1.00 0.00 S ATOM 8 CE MET A 1 -17.788 14.235 7.773 1.00 0.00 C ATOM 0 H1 MET A 1 -18.693 10.895 11.145 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.772 9.526 11.547 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.002 10.935 10.995 1.00 0.00 H new ATOM 0 HA MET A 1 -18.907 9.331 9.423 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.004 11.583 8.644 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.033 10.694 7.539 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.029 11.451 8.931 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.933 12.482 9.830 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.816 15.121 7.138 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.625 14.535 8.808 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.975 13.584 7.452 1.00 0.00 H new ATOM 18 N ALA A 2 -16.084 8.416 10.195 1.00 0.00 N ATOM 19 CA ALA A 2 -14.990 7.460 10.051 1.00 0.00 C ATOM 20 C ALA A 2 -15.383 6.295 9.141 1.00 0.00 C ATOM 21 O ALA A 2 -14.710 6.025 8.150 1.00 0.00 O ATOM 22 CB ALA A 2 -14.556 6.958 11.431 1.00 0.00 C ATOM 0 H ALA A 2 -16.214 8.730 11.157 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.148 7.966 9.579 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.739 6.245 11.318 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.221 7.801 12.036 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.398 6.471 11.922 1.00 0.00 H new ATOM 28 N SER A 3 -16.505 5.642 9.443 1.00 0.00 N ATOM 29 CA SER A 3 -17.046 4.548 8.654 1.00 0.00 C ATOM 30 C SER A 3 -17.183 4.912 7.170 1.00 0.00 C ATOM 31 O SER A 3 -16.881 4.098 6.299 1.00 0.00 O ATOM 32 CB SER A 3 -18.399 4.163 9.257 1.00 0.00 C ATOM 33 OG SER A 3 -18.303 4.205 10.670 1.00 0.00 O ATOM 0 H SER A 3 -17.071 5.867 10.261 1.00 0.00 H new ATOM 0 HA SER A 3 -16.358 3.703 8.689 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.174 4.848 8.912 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.687 3.164 8.929 1.00 0.00 H new ATOM 0 HG SER A 3 -19.167 3.961 11.064 1.00 0.00 H new ATOM 39 N VAL A 4 -17.638 6.131 6.874 1.00 0.00 N ATOM 40 CA VAL A 4 -17.802 6.585 5.503 1.00 0.00 C ATOM 41 C VAL A 4 -16.425 6.797 4.876 1.00 0.00 C ATOM 42 O VAL A 4 -16.199 6.381 3.746 1.00 0.00 O ATOM 43 CB VAL A 4 -18.659 7.860 5.432 1.00 0.00 C ATOM 44 CG1 VAL A 4 -18.974 8.218 3.974 1.00 0.00 C ATOM 45 CG2 VAL A 4 -19.978 7.702 6.202 1.00 0.00 C ATOM 0 H VAL A 4 -17.900 6.823 7.577 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.334 5.821 4.936 1.00 0.00 H new ATOM 0 HB VAL A 4 -18.079 8.659 5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -19.581 9.123 3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -18.044 8.387 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.521 7.399 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -20.555 8.624 6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -20.552 6.879 5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -19.765 7.491 7.250 1.00 0.00 H new ATOM 55 N LEU A 5 -15.490 7.423 5.598 1.00 0.00 N ATOM 56 CA LEU A 5 -14.127 7.581 5.097 1.00 0.00 C ATOM 57 C LEU A 5 -13.527 6.213 4.748 1.00 0.00 C ATOM 58 O LEU A 5 -12.992 6.024 3.656 1.00 0.00 O ATOM 59 CB LEU A 5 -13.250 8.341 6.105 1.00 0.00 C ATOM 60 CG LEU A 5 -13.767 9.749 6.450 1.00 0.00 C ATOM 61 CD1 LEU A 5 -12.841 10.380 7.496 1.00 0.00 C ATOM 62 CD2 LEU A 5 -13.833 10.662 5.220 1.00 0.00 C ATOM 0 H LEU A 5 -15.652 7.824 6.522 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.161 8.178 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.179 7.756 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -12.241 8.425 5.702 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.780 9.645 6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.201 11.378 7.746 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.832 9.762 8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.831 10.449 7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.204 11.644 5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.837 10.765 4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.505 10.228 4.480 1.00 0.00 H new ATOM 74 N GLU A 6 -13.658 5.246 5.660 1.00 0.00 N ATOM 75 CA GLU A 6 -13.249 3.866 5.433 1.00 0.00 C ATOM 76 C GLU A 6 -13.928 3.308 4.176 1.00 0.00 C ATOM 77 O GLU A 6 -13.260 2.747 3.312 1.00 0.00 O ATOM 78 CB GLU A 6 -13.570 3.018 6.672 1.00 0.00 C ATOM 79 CG GLU A 6 -12.707 3.412 7.879 1.00 0.00 C ATOM 80 CD GLU A 6 -13.219 2.758 9.158 1.00 0.00 C ATOM 81 OE1 GLU A 6 -13.020 1.530 9.286 1.00 0.00 O ATOM 82 OE2 GLU A 6 -13.815 3.492 9.978 1.00 0.00 O ATOM 0 H GLU A 6 -14.056 5.406 6.586 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.172 3.830 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.624 3.133 6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.411 1.965 6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.673 3.114 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.711 4.496 7.994 1.00 0.00 H new ATOM 89 N GLU A 7 -15.249 3.465 4.064 1.00 0.00 N ATOM 90 CA GLU A 7 -16.012 3.018 2.905 1.00 0.00 C ATOM 91 C GLU A 7 -15.441 3.606 1.605 1.00 0.00 C ATOM 92 O GLU A 7 -15.172 2.877 0.651 1.00 0.00 O ATOM 93 CB GLU A 7 -17.491 3.381 3.116 1.00 0.00 C ATOM 94 CG GLU A 7 -18.426 2.855 2.024 1.00 0.00 C ATOM 95 CD GLU A 7 -18.412 1.330 1.941 1.00 0.00 C ATOM 96 OE1 GLU A 7 -18.859 0.704 2.926 1.00 0.00 O ATOM 97 OE2 GLU A 7 -17.939 0.818 0.904 1.00 0.00 O ATOM 0 H GLU A 7 -15.820 3.910 4.783 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.934 1.936 2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.817 2.987 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.584 4.466 3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -19.442 3.198 2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.130 3.273 1.062 1.00 0.00 H new ATOM 104 N LEU A 8 -15.235 4.924 1.561 1.00 0.00 N ATOM 105 CA LEU A 8 -14.656 5.590 0.403 1.00 0.00 C ATOM 106 C LEU A 8 -13.265 5.027 0.101 1.00 0.00 C ATOM 107 O LEU A 8 -12.969 4.708 -1.049 1.00 0.00 O ATOM 108 CB LEU A 8 -14.616 7.110 0.622 1.00 0.00 C ATOM 109 CG LEU A 8 -16.011 7.762 0.663 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.881 9.208 1.152 1.00 0.00 C ATOM 111 CD2 LEU A 8 -16.689 7.769 -0.714 1.00 0.00 C ATOM 0 H LEU A 8 -15.466 5.555 2.328 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.286 5.397 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -14.098 7.321 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -14.033 7.569 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.627 7.172 1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.867 9.672 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.445 9.216 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.238 9.766 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -17.669 8.238 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.075 8.329 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.805 6.745 -1.068 1.00 0.00 H new ATOM 123 N GLN A 9 -12.414 4.878 1.123 1.00 0.00 N ATOM 124 CA GLN A 9 -11.095 4.276 0.959 1.00 0.00 C ATOM 125 C GLN A 9 -11.222 2.878 0.352 1.00 0.00 C ATOM 126 O GLN A 9 -10.462 2.523 -0.549 1.00 0.00 O ATOM 127 CB GLN A 9 -10.341 4.262 2.299 1.00 0.00 C ATOM 128 CG GLN A 9 -8.846 3.914 2.165 1.00 0.00 C ATOM 129 CD GLN A 9 -8.524 2.429 2.352 1.00 0.00 C ATOM 130 OE1 GLN A 9 -8.178 2.004 3.448 1.00 0.00 O ATOM 131 NE2 GLN A 9 -8.601 1.633 1.290 1.00 0.00 N ATOM 0 H GLN A 9 -12.622 5.170 2.078 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.509 4.879 0.266 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.436 5.241 2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.815 3.541 2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.499 4.227 1.180 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.284 4.491 2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.892 2.012 0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.369 0.643 1.376 1.00 0.00 H new ATOM 140 N LYS A 10 -12.163 2.072 0.841 1.00 0.00 N ATOM 141 CA LYS A 10 -12.393 0.746 0.302 1.00 0.00 C ATOM 142 C LYS A 10 -12.791 0.834 -1.168 1.00 0.00 C ATOM 143 O LYS A 10 -12.234 0.112 -1.989 1.00 0.00 O ATOM 144 CB LYS A 10 -13.442 0.004 1.129 1.00 0.00 C ATOM 145 CG LYS A 10 -13.672 -1.390 0.532 1.00 0.00 C ATOM 146 CD LYS A 10 -14.451 -2.281 1.493 1.00 0.00 C ATOM 147 CE LYS A 10 -15.855 -1.728 1.777 1.00 0.00 C ATOM 148 NZ LYS A 10 -16.649 -2.661 2.595 1.00 0.00 N ATOM 0 H LYS A 10 -12.779 2.323 1.615 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.467 0.174 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.110 -0.082 2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.376 0.565 1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.217 -1.300 -0.408 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.712 -1.852 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.534 -3.283 1.072 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.901 -2.373 2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.773 -0.771 2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.370 -1.540 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.591 -2.256 2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.748 -3.566 2.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.169 -2.821 3.504 1.00 0.00 H new ATOM 162 N ASP A 11 -13.731 1.714 -1.518 1.00 0.00 N ATOM 163 CA ASP A 11 -14.107 1.904 -2.916 1.00 0.00 C ATOM 164 C ASP A 11 -12.864 2.243 -3.749 1.00 0.00 C ATOM 165 O ASP A 11 -12.600 1.611 -4.771 1.00 0.00 O ATOM 166 CB ASP A 11 -15.201 2.971 -3.028 1.00 0.00 C ATOM 167 CG ASP A 11 -15.780 3.039 -4.439 1.00 0.00 C ATOM 168 OD1 ASP A 11 -16.220 1.977 -4.928 1.00 0.00 O ATOM 169 OD2 ASP A 11 -15.797 4.160 -4.991 1.00 0.00 O ATOM 0 H ASP A 11 -14.241 2.301 -0.857 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.522 0.979 -3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.998 2.751 -2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.790 3.943 -2.756 1.00 0.00 H new ATOM 174 N LEU A 12 -12.048 3.183 -3.258 1.00 0.00 N ATOM 175 CA LEU A 12 -10.740 3.497 -3.828 1.00 0.00 C ATOM 176 C LEU A 12 -9.925 2.208 -4.019 1.00 0.00 C ATOM 177 O LEU A 12 -9.349 1.977 -5.082 1.00 0.00 O ATOM 178 CB LEU A 12 -10.009 4.525 -2.946 1.00 0.00 C ATOM 179 CG LEU A 12 -9.131 5.517 -3.729 1.00 0.00 C ATOM 180 CD1 LEU A 12 -8.539 6.533 -2.746 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.992 4.832 -4.492 1.00 0.00 C ATOM 0 H LEU A 12 -12.283 3.751 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.869 3.949 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.747 5.085 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.385 3.993 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.766 6.004 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.914 7.242 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.346 7.069 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.935 6.011 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.408 5.582 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.349 4.304 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.408 4.122 -5.207 1.00 0.00 H new ATOM 193 N GLU A 13 -9.892 1.342 -3.000 1.00 0.00 N ATOM 194 CA GLU A 13 -9.164 0.086 -3.065 1.00 0.00 C ATOM 195 C GLU A 13 -9.716 -0.786 -4.200 1.00 0.00 C ATOM 196 O GLU A 13 -8.946 -1.355 -4.970 1.00 0.00 O ATOM 197 CB GLU A 13 -9.225 -0.605 -1.695 1.00 0.00 C ATOM 198 CG GLU A 13 -8.016 -1.507 -1.423 1.00 0.00 C ATOM 199 CD GLU A 13 -8.017 -1.983 0.028 1.00 0.00 C ATOM 200 OE1 GLU A 13 -7.926 -1.101 0.911 1.00 0.00 O ATOM 201 OE2 GLU A 13 -8.120 -3.213 0.226 1.00 0.00 O ATOM 0 H GLU A 13 -10.370 1.499 -2.113 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.114 0.266 -3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.288 0.153 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.136 -1.200 -1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.038 -2.366 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.095 -0.963 -1.632 1.00 0.00 H new ATOM 208 N GLU A 14 -11.043 -0.870 -4.326 1.00 0.00 N ATOM 209 CA GLU A 14 -11.684 -1.608 -5.406 1.00 0.00 C ATOM 210 C GLU A 14 -11.228 -1.083 -6.771 1.00 0.00 C ATOM 211 O GLU A 14 -10.738 -1.868 -7.584 1.00 0.00 O ATOM 212 CB GLU A 14 -13.212 -1.595 -5.262 1.00 0.00 C ATOM 213 CG GLU A 14 -13.666 -2.341 -4.000 1.00 0.00 C ATOM 214 CD GLU A 14 -15.172 -2.225 -3.794 1.00 0.00 C ATOM 215 OE1 GLU A 14 -15.903 -2.730 -4.673 1.00 0.00 O ATOM 216 OE2 GLU A 14 -15.565 -1.639 -2.762 1.00 0.00 O ATOM 0 H GLU A 14 -11.698 -0.428 -3.681 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.371 -2.650 -5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.566 -0.565 -5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.665 -2.055 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.388 -3.392 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.147 -1.937 -3.131 1.00 0.00 H new ATOM 223 N VAL A 15 -11.362 0.223 -7.043 1.00 0.00 N ATOM 224 CA VAL A 15 -10.881 0.739 -8.326 1.00 0.00 C ATOM 225 C VAL A 15 -9.388 0.471 -8.508 1.00 0.00 C ATOM 226 O VAL A 15 -8.986 0.091 -9.600 1.00 0.00 O ATOM 227 CB VAL A 15 -11.276 2.198 -8.625 1.00 0.00 C ATOM 228 CG1 VAL A 15 -10.932 3.187 -7.513 1.00 0.00 C ATOM 229 CG2 VAL A 15 -10.637 2.693 -9.930 1.00 0.00 C ATOM 0 H VAL A 15 -11.781 0.913 -6.420 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.413 0.171 -9.089 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.362 2.170 -8.712 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.245 4.189 -7.807 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.449 2.900 -6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.856 3.179 -7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.935 3.725 -10.112 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.552 2.638 -9.847 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.970 2.067 -10.758 1.00 0.00 H new ATOM 239 N LYS A 16 -8.564 0.628 -7.468 1.00 0.00 N ATOM 240 CA LYS A 16 -7.142 0.314 -7.569 1.00 0.00 C ATOM 241 C LYS A 16 -6.942 -1.140 -8.023 1.00 0.00 C ATOM 242 O LYS A 16 -6.240 -1.404 -8.999 1.00 0.00 O ATOM 243 CB LYS A 16 -6.447 0.619 -6.235 1.00 0.00 C ATOM 244 CG LYS A 16 -4.918 0.595 -6.367 1.00 0.00 C ATOM 245 CD LYS A 16 -4.220 0.758 -5.008 1.00 0.00 C ATOM 246 CE LYS A 16 -4.548 2.097 -4.335 1.00 0.00 C ATOM 247 NZ LYS A 16 -3.733 2.302 -3.126 1.00 0.00 N ATOM 0 H LYS A 16 -8.858 0.969 -6.553 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.680 0.944 -8.329 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.765 1.598 -5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.758 -0.111 -5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.608 -0.345 -6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.599 1.394 -7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.518 -0.058 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.142 0.679 -5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.372 2.912 -5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.606 2.125 -4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.977 3.216 -2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.920 1.536 -2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.725 2.299 -3.382 1.00 0.00 H new ATOM 261 N VAL A 17 -7.576 -2.089 -7.332 1.00 0.00 N ATOM 262 CA VAL A 17 -7.520 -3.502 -7.689 1.00 0.00 C ATOM 263 C VAL A 17 -7.939 -3.695 -9.152 1.00 0.00 C ATOM 264 O VAL A 17 -7.209 -4.317 -9.925 1.00 0.00 O ATOM 265 CB VAL A 17 -8.363 -4.326 -6.697 1.00 0.00 C ATOM 266 CG1 VAL A 17 -8.594 -5.761 -7.185 1.00 0.00 C ATOM 267 CG2 VAL A 17 -7.655 -4.389 -5.335 1.00 0.00 C ATOM 0 H VAL A 17 -8.144 -1.895 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.497 -3.869 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.329 -3.828 -6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.193 -6.302 -6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.120 -5.740 -8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.634 -6.262 -7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.257 -4.973 -4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.679 -4.859 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.526 -3.379 -4.945 1.00 0.00 H new ATOM 277 N LEU A 18 -9.092 -3.148 -9.550 1.00 0.00 N ATOM 278 CA LEU A 18 -9.524 -3.229 -10.941 1.00 0.00 C ATOM 279 C LEU A 18 -8.486 -2.625 -11.884 1.00 0.00 C ATOM 280 O LEU A 18 -8.264 -3.181 -12.958 1.00 0.00 O ATOM 281 CB LEU A 18 -10.878 -2.547 -11.167 1.00 0.00 C ATOM 282 CG LEU A 18 -12.081 -3.244 -10.514 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.345 -2.540 -11.018 1.00 0.00 C ATOM 284 CD2 LEU A 18 -12.175 -4.734 -10.868 1.00 0.00 C ATOM 0 H LEU A 18 -9.734 -2.650 -8.933 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.634 -4.290 -11.164 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.820 -1.527 -10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.057 -2.478 -12.240 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.968 -3.180 -9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.224 -3.008 -10.575 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.313 -1.488 -10.735 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.399 -2.622 -12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.045 -5.170 -10.377 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.274 -4.846 -11.948 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.273 -5.246 -10.531 1.00 0.00 H new ATOM 296 N LEU A 19 -7.871 -1.501 -11.510 1.00 0.00 N ATOM 297 CA LEU A 19 -6.879 -0.816 -12.322 1.00 0.00 C ATOM 298 C LEU A 19 -5.764 -1.798 -12.676 1.00 0.00 C ATOM 299 O LEU A 19 -5.419 -1.958 -13.844 1.00 0.00 O ATOM 300 CB LEU A 19 -6.324 0.417 -11.580 1.00 0.00 C ATOM 301 CG LEU A 19 -5.651 1.433 -12.515 1.00 0.00 C ATOM 302 CD1 LEU A 19 -6.695 2.393 -13.101 1.00 0.00 C ATOM 303 CD2 LEU A 19 -4.611 2.249 -11.740 1.00 0.00 C ATOM 0 H LEU A 19 -8.055 -1.039 -10.620 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.342 -0.458 -13.241 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.137 0.908 -11.045 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.603 0.089 -10.831 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.166 0.885 -13.323 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.203 3.107 -13.761 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.434 1.826 -13.666 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.191 2.929 -12.292 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.139 2.967 -12.410 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.100 2.782 -10.925 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.853 1.580 -11.333 1.00 0.00 H new ATOM 315 N GLU A 20 -5.230 -2.477 -11.656 1.00 0.00 N ATOM 316 CA GLU A 20 -4.187 -3.469 -11.851 1.00 0.00 C ATOM 317 C GLU A 20 -4.699 -4.652 -12.679 1.00 0.00 C ATOM 318 O GLU A 20 -4.049 -5.064 -13.636 1.00 0.00 O ATOM 319 CB GLU A 20 -3.632 -3.941 -10.497 1.00 0.00 C ATOM 320 CG GLU A 20 -3.086 -2.795 -9.629 1.00 0.00 C ATOM 321 CD GLU A 20 -2.064 -1.936 -10.365 1.00 0.00 C ATOM 322 OE1 GLU A 20 -0.972 -2.475 -10.647 1.00 0.00 O ATOM 323 OE2 GLU A 20 -2.397 -0.763 -10.640 1.00 0.00 O ATOM 0 H GLU A 20 -5.510 -2.351 -10.683 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.374 -3.003 -12.409 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.420 -4.458 -9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.837 -4.666 -10.671 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.914 -2.167 -9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.627 -3.211 -8.732 1.00 0.00 H new ATOM 330 N LYS A 21 -5.834 -5.238 -12.288 1.00 0.00 N ATOM 331 CA LYS A 21 -6.284 -6.495 -12.876 1.00 0.00 C ATOM 332 C LYS A 21 -6.802 -6.331 -14.309 1.00 0.00 C ATOM 333 O LYS A 21 -6.362 -7.037 -15.215 1.00 0.00 O ATOM 334 CB LYS A 21 -7.364 -7.137 -11.997 1.00 0.00 C ATOM 335 CG LYS A 21 -6.801 -7.598 -10.646 1.00 0.00 C ATOM 336 CD LYS A 21 -7.887 -8.230 -9.762 1.00 0.00 C ATOM 337 CE LYS A 21 -8.526 -9.497 -10.351 1.00 0.00 C ATOM 338 NZ LYS A 21 -7.521 -10.518 -10.695 1.00 0.00 N ATOM 0 H LYS A 21 -6.453 -4.862 -11.570 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.413 -7.148 -12.925 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.169 -6.421 -11.830 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.798 -7.989 -12.519 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.002 -8.320 -10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.359 -6.748 -10.127 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.453 -8.474 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.669 -7.492 -9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.233 -9.913 -9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.095 -9.234 -11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.001 -11.391 -10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.924 -10.169 -11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.928 -10.715 -9.864 1.00 0.00 H new ATOM 352 N SER A 22 -7.767 -5.429 -14.507 1.00 0.00 N ATOM 353 CA SER A 22 -8.528 -5.301 -15.747 1.00 0.00 C ATOM 354 C SER A 22 -7.645 -5.258 -16.992 1.00 0.00 C ATOM 355 O SER A 22 -7.930 -5.950 -17.968 1.00 0.00 O ATOM 356 CB SER A 22 -9.443 -4.075 -15.685 1.00 0.00 C ATOM 357 OG SER A 22 -10.274 -4.146 -14.545 1.00 0.00 O ATOM 0 H SER A 22 -8.045 -4.755 -13.794 1.00 0.00 H new ATOM 0 HA SER A 22 -9.137 -6.201 -15.837 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.843 -3.165 -15.651 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.053 -4.021 -16.587 1.00 0.00 H new ATOM 0 HG SER A 22 -9.788 -3.807 -13.764 1.00 0.00 H new ATOM 363 N THR A 23 -6.592 -4.438 -16.963 1.00 0.00 N ATOM 364 CA THR A 23 -5.597 -4.290 -18.023 1.00 0.00 C ATOM 365 C THR A 23 -6.131 -3.638 -19.305 1.00 0.00 C ATOM 366 O THR A 23 -5.546 -2.667 -19.784 1.00 0.00 O ATOM 367 CB THR A 23 -4.863 -5.620 -18.269 1.00 0.00 C ATOM 368 OG1 THR A 23 -4.416 -6.162 -17.041 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.632 -5.419 -19.157 1.00 0.00 C ATOM 0 H THR A 23 -6.403 -3.833 -16.164 1.00 0.00 H new ATOM 0 HA THR A 23 -4.862 -3.570 -17.663 1.00 0.00 H new ATOM 0 HB THR A 23 -5.568 -6.291 -18.760 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.187 -6.469 -16.519 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.135 -6.377 -19.312 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.940 -5.010 -20.119 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.943 -4.727 -18.673 1.00 0.00 H new ATOM 377 N ARG A 24 -7.232 -4.142 -19.870 1.00 0.00 N ATOM 378 CA ARG A 24 -7.935 -3.466 -20.948 1.00 0.00 C ATOM 379 C ARG A 24 -8.239 -2.035 -20.493 1.00 0.00 C ATOM 380 O ARG A 24 -8.495 -1.816 -19.308 1.00 0.00 O ATOM 381 CB ARG A 24 -9.232 -4.218 -21.281 1.00 0.00 C ATOM 382 CG ARG A 24 -9.039 -5.714 -21.574 1.00 0.00 C ATOM 383 CD ARG A 24 -8.108 -5.969 -22.766 1.00 0.00 C ATOM 384 NE ARG A 24 -7.978 -7.406 -23.042 1.00 0.00 N ATOM 385 CZ ARG A 24 -8.867 -8.158 -23.706 1.00 0.00 C ATOM 386 NH1 ARG A 24 -10.000 -7.622 -24.174 1.00 0.00 N ATOM 387 NH2 ARG A 24 -8.614 -9.457 -23.898 1.00 0.00 N ATOM 0 H ARG A 24 -7.654 -5.027 -19.590 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.322 -3.443 -21.849 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.925 -4.110 -20.447 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.699 -3.748 -22.146 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.632 -6.204 -20.689 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.009 -6.169 -21.772 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.496 -5.460 -23.649 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.125 -5.545 -22.560 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.138 -7.872 -22.698 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.194 -6.632 -24.027 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.669 -8.204 -24.678 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.751 -9.867 -23.540 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.284 -10.038 -24.402 1.00 0.00 H new ATOM 401 N LYS A 25 -8.243 -1.068 -21.417 1.00 0.00 N ATOM 402 CA LYS A 25 -8.296 0.371 -21.141 1.00 0.00 C ATOM 403 C LYS A 25 -9.532 0.891 -20.390 1.00 0.00 C ATOM 404 O LYS A 25 -9.710 2.106 -20.294 1.00 0.00 O ATOM 405 CB LYS A 25 -8.073 1.137 -22.456 1.00 0.00 C ATOM 406 CG LYS A 25 -6.577 1.210 -22.769 1.00 0.00 C ATOM 407 CD LYS A 25 -6.352 1.825 -24.156 1.00 0.00 C ATOM 408 CE LYS A 25 -4.863 2.043 -24.450 1.00 0.00 C ATOM 409 NZ LYS A 25 -4.110 0.776 -24.473 1.00 0.00 N ATOM 0 H LYS A 25 -8.208 -1.275 -22.415 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.494 0.558 -20.427 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.600 0.640 -23.270 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.486 2.142 -22.376 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.069 1.808 -22.012 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.142 0.211 -22.732 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.780 1.172 -24.916 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.878 2.777 -24.221 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.754 2.546 -25.411 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.438 2.703 -23.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.123 0.964 -24.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.135 0.340 -23.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.540 0.129 -25.165 1.00 0.00 H new ATOM 423 N ARG A 26 -10.337 0.029 -19.762 1.00 0.00 N ATOM 424 CA ARG A 26 -11.373 0.517 -18.863 1.00 0.00 C ATOM 425 C ARG A 26 -10.736 1.247 -17.677 1.00 0.00 C ATOM 426 O ARG A 26 -11.422 2.025 -17.019 1.00 0.00 O ATOM 427 CB ARG A 26 -12.312 -0.600 -18.396 1.00 0.00 C ATOM 428 CG ARG A 26 -11.639 -1.702 -17.561 1.00 0.00 C ATOM 429 CD ARG A 26 -12.685 -2.424 -16.702 1.00 0.00 C ATOM 430 NE ARG A 26 -13.265 -1.502 -15.719 1.00 0.00 N ATOM 431 CZ ARG A 26 -14.259 -1.782 -14.870 1.00 0.00 C ATOM 432 NH1 ARG A 26 -14.736 -3.026 -14.755 1.00 0.00 N ATOM 433 NH2 ARG A 26 -14.758 -0.777 -14.149 1.00 0.00 N ATOM 0 H ARG A 26 -10.290 -0.985 -19.859 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.991 1.223 -19.418 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.116 -0.157 -17.807 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.773 -1.058 -19.271 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.142 -2.415 -18.219 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.870 -1.267 -16.923 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.472 -2.828 -17.339 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.224 -3.269 -16.190 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.874 -0.561 -15.680 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.341 -3.778 -15.320 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.495 -3.223 -14.102 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.380 0.164 -14.257 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.517 -0.950 -13.490 1.00 0.00 H new ATOM 447 N LEU A 27 -9.443 0.998 -17.415 1.00 0.00 N ATOM 448 CA LEU A 27 -8.622 1.707 -16.443 1.00 0.00 C ATOM 449 C LEU A 27 -8.965 3.195 -16.419 1.00 0.00 C ATOM 450 O LEU A 27 -9.389 3.716 -15.392 1.00 0.00 O ATOM 451 CB LEU A 27 -7.126 1.562 -16.791 1.00 0.00 C ATOM 452 CG LEU A 27 -6.444 0.322 -16.201 1.00 0.00 C ATOM 453 CD1 LEU A 27 -6.907 -0.977 -16.854 1.00 0.00 C ATOM 454 CD2 LEU A 27 -4.926 0.442 -16.375 1.00 0.00 C ATOM 0 H LEU A 27 -8.927 0.264 -17.900 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.824 1.269 -15.466 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.021 1.535 -17.876 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.599 2.450 -16.442 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.720 0.281 -15.147 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.390 -1.820 -16.395 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.982 -1.091 -16.714 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.681 -0.949 -17.920 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.441 -0.439 -15.956 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.686 0.518 -17.436 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.570 1.333 -15.858 1.00 0.00 H new ATOM 466 N ARG A 28 -8.750 3.875 -17.547 1.00 0.00 N ATOM 467 CA ARG A 28 -8.824 5.326 -17.626 1.00 0.00 C ATOM 468 C ARG A 28 -10.230 5.799 -17.246 1.00 0.00 C ATOM 469 O ARG A 28 -10.404 6.673 -16.392 1.00 0.00 O ATOM 470 CB ARG A 28 -8.411 5.760 -19.045 1.00 0.00 C ATOM 471 CG ARG A 28 -8.191 7.272 -19.177 1.00 0.00 C ATOM 472 CD ARG A 28 -6.850 7.723 -18.572 1.00 0.00 C ATOM 473 NE ARG A 28 -6.815 9.179 -18.387 1.00 0.00 N ATOM 474 CZ ARG A 28 -7.543 9.833 -17.472 1.00 0.00 C ATOM 475 NH1 ARG A 28 -8.263 9.145 -16.581 1.00 0.00 N ATOM 476 NH2 ARG A 28 -7.568 11.169 -17.463 1.00 0.00 N ATOM 0 H ARG A 28 -8.519 3.427 -18.434 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.138 5.791 -16.918 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.494 5.241 -19.324 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.181 5.449 -19.751 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.224 7.551 -20.230 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.006 7.800 -18.682 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.696 7.228 -17.613 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.032 7.417 -19.224 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.200 9.725 -18.991 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.257 8.125 -16.599 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.818 9.640 -15.883 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.032 11.694 -18.154 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.123 11.664 -16.765 1.00 0.00 H new ATOM 490 N ASP A 29 -11.232 5.192 -17.886 1.00 0.00 N ATOM 491 CA ASP A 29 -12.642 5.490 -17.664 1.00 0.00 C ATOM 492 C ASP A 29 -13.011 5.287 -16.193 1.00 0.00 C ATOM 493 O ASP A 29 -13.527 6.193 -15.533 1.00 0.00 O ATOM 494 CB ASP A 29 -13.506 4.587 -18.557 1.00 0.00 C ATOM 495 CG ASP A 29 -13.212 4.798 -20.038 1.00 0.00 C ATOM 496 OD1 ASP A 29 -12.152 4.298 -20.474 1.00 0.00 O ATOM 497 OD2 ASP A 29 -14.043 5.454 -20.700 1.00 0.00 O ATOM 0 H ASP A 29 -11.079 4.466 -18.586 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.826 6.533 -17.921 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.328 3.543 -18.297 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.560 4.788 -18.364 1.00 0.00 H new ATOM 502 N THR A 30 -12.750 4.078 -15.691 1.00 0.00 N ATOM 503 CA THR A 30 -13.075 3.652 -14.337 1.00 0.00 C ATOM 504 C THR A 30 -12.409 4.588 -13.331 1.00 0.00 C ATOM 505 O THR A 30 -13.064 5.077 -12.413 1.00 0.00 O ATOM 506 CB THR A 30 -12.655 2.186 -14.132 1.00 0.00 C ATOM 507 OG1 THR A 30 -13.277 1.375 -15.107 1.00 0.00 O ATOM 508 CG2 THR A 30 -13.069 1.664 -12.754 1.00 0.00 C ATOM 0 H THR A 30 -12.292 3.348 -16.237 1.00 0.00 H new ATOM 0 HA THR A 30 -14.152 3.707 -14.178 1.00 0.00 H new ATOM 0 HB THR A 30 -11.569 2.145 -14.217 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.777 1.433 -15.948 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.754 0.626 -12.649 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.596 2.267 -11.979 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.152 1.727 -12.651 1.00 0.00 H new ATOM 516 N LEU A 31 -11.113 4.855 -13.523 1.00 0.00 N ATOM 517 CA LEU A 31 -10.348 5.766 -12.693 1.00 0.00 C ATOM 518 C LEU A 31 -11.065 7.108 -12.649 1.00 0.00 C ATOM 519 O LEU A 31 -11.454 7.543 -11.571 1.00 0.00 O ATOM 520 CB LEU A 31 -8.906 5.870 -13.220 1.00 0.00 C ATOM 521 CG LEU A 31 -7.927 6.728 -12.397 1.00 0.00 C ATOM 522 CD1 LEU A 31 -8.129 8.240 -12.566 1.00 0.00 C ATOM 523 CD2 LEU A 31 -7.928 6.352 -10.911 1.00 0.00 C ATOM 0 H LEU A 31 -10.566 4.433 -14.273 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.277 5.395 -11.670 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.497 4.862 -13.292 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.942 6.272 -14.232 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.946 6.495 -12.812 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.402 8.775 -11.955 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.992 8.511 -13.613 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.137 8.510 -12.250 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.222 6.986 -10.375 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.928 6.495 -10.500 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.636 5.308 -10.800 1.00 0.00 H new ATOM 535 N THR A 32 -11.262 7.751 -13.804 1.00 0.00 N ATOM 536 CA THR A 32 -11.878 9.073 -13.850 1.00 0.00 C ATOM 537 C THR A 32 -13.222 9.075 -13.123 1.00 0.00 C ATOM 538 O THR A 32 -13.436 9.867 -12.205 1.00 0.00 O ATOM 539 CB THR A 32 -12.043 9.542 -15.303 1.00 0.00 C ATOM 540 OG1 THR A 32 -10.827 9.371 -15.989 1.00 0.00 O ATOM 541 CG2 THR A 32 -12.421 11.025 -15.368 1.00 0.00 C ATOM 0 H THR A 32 -11.003 7.375 -14.716 1.00 0.00 H new ATOM 0 HA THR A 32 -11.218 9.773 -13.337 1.00 0.00 H new ATOM 0 HB THR A 32 -12.837 8.950 -15.758 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.734 8.434 -16.262 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.531 11.327 -16.410 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.363 11.184 -14.843 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.639 11.621 -14.898 1.00 0.00 H new ATOM 549 N SER A 33 -14.134 8.199 -13.551 1.00 0.00 N ATOM 550 CA SER A 33 -15.488 8.167 -13.024 1.00 0.00 C ATOM 551 C SER A 33 -15.472 7.942 -11.510 1.00 0.00 C ATOM 552 O SER A 33 -15.994 8.765 -10.754 1.00 0.00 O ATOM 553 CB SER A 33 -16.313 7.102 -13.758 1.00 0.00 C ATOM 554 OG SER A 33 -15.642 5.858 -13.764 1.00 0.00 O ATOM 0 H SER A 33 -13.950 7.498 -14.269 1.00 0.00 H new ATOM 0 HA SER A 33 -15.964 9.132 -13.198 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.285 6.993 -13.276 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.500 7.424 -14.783 1.00 0.00 H new ATOM 0 HG SER A 33 -14.947 5.865 -14.454 1.00 0.00 H new ATOM 560 N GLU A 34 -14.876 6.834 -11.066 1.00 0.00 N ATOM 561 CA GLU A 34 -14.923 6.466 -9.663 1.00 0.00 C ATOM 562 C GLU A 34 -14.162 7.483 -8.807 1.00 0.00 C ATOM 563 O GLU A 34 -14.643 7.860 -7.742 1.00 0.00 O ATOM 564 CB GLU A 34 -14.461 5.018 -9.466 1.00 0.00 C ATOM 565 CG GLU A 34 -14.968 4.484 -8.117 1.00 0.00 C ATOM 566 CD GLU A 34 -14.762 2.981 -7.974 1.00 0.00 C ATOM 567 OE1 GLU A 34 -15.273 2.248 -8.850 1.00 0.00 O ATOM 568 OE2 GLU A 34 -14.088 2.589 -7.000 1.00 0.00 O ATOM 0 H GLU A 34 -14.360 6.184 -11.659 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.956 6.500 -9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.836 4.394 -10.278 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.373 4.967 -9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.449 4.998 -7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.028 4.714 -8.013 1.00 0.00 H new ATOM 575 N LYS A 35 -13.009 7.976 -9.274 1.00 0.00 N ATOM 576 CA LYS A 35 -12.297 9.054 -8.596 1.00 0.00 C ATOM 577 C LYS A 35 -13.219 10.262 -8.426 1.00 0.00 C ATOM 578 O LYS A 35 -13.353 10.782 -7.320 1.00 0.00 O ATOM 579 CB LYS A 35 -11.020 9.424 -9.365 1.00 0.00 C ATOM 580 CG LYS A 35 -10.219 10.537 -8.679 1.00 0.00 C ATOM 581 CD LYS A 35 -8.915 10.790 -9.443 1.00 0.00 C ATOM 582 CE LYS A 35 -8.155 11.966 -8.821 1.00 0.00 C ATOM 583 NZ LYS A 35 -6.879 12.207 -9.514 1.00 0.00 N ATOM 0 H LYS A 35 -12.552 7.641 -10.122 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.996 8.715 -7.605 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.392 8.539 -9.466 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.287 9.742 -10.373 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.811 11.452 -8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.998 10.256 -7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.294 9.895 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.134 11.002 -10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.771 12.864 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.966 11.762 -7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.389 13.009 -9.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.283 11.357 -9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.063 12.425 -10.514 1.00 0.00 H new ATOM 597 N SER A 36 -13.856 10.709 -9.514 1.00 0.00 N ATOM 598 CA SER A 36 -14.763 11.848 -9.462 1.00 0.00 C ATOM 599 C SER A 36 -15.848 11.619 -8.411 1.00 0.00 C ATOM 600 O SER A 36 -16.050 12.472 -7.547 1.00 0.00 O ATOM 601 CB SER A 36 -15.368 12.135 -10.840 1.00 0.00 C ATOM 602 OG SER A 36 -14.342 12.411 -11.771 1.00 0.00 O ATOM 0 H SER A 36 -13.756 10.294 -10.441 1.00 0.00 H new ATOM 0 HA SER A 36 -14.192 12.729 -9.169 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.953 11.278 -11.175 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.051 12.982 -10.777 1.00 0.00 H new ATOM 0 HG SER A 36 -13.853 11.586 -11.972 1.00 0.00 H new ATOM 608 N LYS A 37 -16.533 10.471 -8.463 1.00 0.00 N ATOM 609 CA LYS A 37 -17.526 10.100 -7.463 1.00 0.00 C ATOM 610 C LYS A 37 -16.949 10.197 -6.046 1.00 0.00 C ATOM 611 O LYS A 37 -17.496 10.920 -5.214 1.00 0.00 O ATOM 612 CB LYS A 37 -18.072 8.693 -7.746 1.00 0.00 C ATOM 613 CG LYS A 37 -18.942 8.604 -9.011 1.00 0.00 C ATOM 614 CD LYS A 37 -20.223 9.455 -8.980 1.00 0.00 C ATOM 615 CE LYS A 37 -21.100 9.157 -7.756 1.00 0.00 C ATOM 616 NZ LYS A 37 -22.390 9.865 -7.836 1.00 0.00 N ATOM 0 H LYS A 37 -16.411 9.777 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.354 10.806 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.235 8.002 -7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.659 8.363 -6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.342 8.909 -9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.220 7.562 -9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.953 10.511 -8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.798 9.272 -9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.276 8.084 -7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.575 9.455 -6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.960 9.644 -6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.221 10.890 -7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.900 9.561 -8.690 1.00 0.00 H new ATOM 630 N ILE A 38 -15.844 9.496 -5.771 1.00 0.00 N ATOM 631 CA ILE A 38 -15.205 9.495 -4.458 1.00 0.00 C ATOM 632 C ILE A 38 -14.956 10.932 -3.988 1.00 0.00 C ATOM 633 O ILE A 38 -15.378 11.303 -2.893 1.00 0.00 O ATOM 634 CB ILE A 38 -13.915 8.645 -4.479 1.00 0.00 C ATOM 635 CG1 ILE A 38 -14.276 7.149 -4.578 1.00 0.00 C ATOM 636 CG2 ILE A 38 -13.062 8.891 -3.222 1.00 0.00 C ATOM 637 CD1 ILE A 38 -13.069 6.269 -4.923 1.00 0.00 C ATOM 0 H ILE A 38 -15.368 8.912 -6.459 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.874 9.031 -3.734 1.00 0.00 H new ATOM 0 HB ILE A 38 -13.330 8.941 -5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.702 6.819 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -15.047 7.015 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -12.162 8.278 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.782 9.943 -3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.637 8.626 -2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.383 5.227 -4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.657 6.577 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.307 6.377 -4.151 1.00 0.00 H new ATOM 649 N GLU A 39 -14.272 11.739 -4.803 1.00 0.00 N ATOM 650 CA GLU A 39 -13.954 13.117 -4.457 1.00 0.00 C ATOM 651 C GLU A 39 -15.231 13.915 -4.181 1.00 0.00 C ATOM 652 O GLU A 39 -15.335 14.589 -3.159 1.00 0.00 O ATOM 653 CB GLU A 39 -13.116 13.754 -5.574 1.00 0.00 C ATOM 654 CG GLU A 39 -11.712 13.130 -5.630 1.00 0.00 C ATOM 655 CD GLU A 39 -10.865 13.707 -6.762 1.00 0.00 C ATOM 656 OE1 GLU A 39 -11.430 13.904 -7.860 1.00 0.00 O ATOM 657 OE2 GLU A 39 -9.660 13.930 -6.514 1.00 0.00 O ATOM 0 H GLU A 39 -13.926 11.452 -5.718 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.363 13.129 -3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.617 13.618 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.035 14.828 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.205 13.296 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.801 12.051 -5.760 1.00 0.00 H new ATOM 664 N THR A 40 -16.210 13.828 -5.084 1.00 0.00 N ATOM 665 CA THR A 40 -17.490 14.513 -4.949 1.00 0.00 C ATOM 666 C THR A 40 -18.143 14.167 -3.607 1.00 0.00 C ATOM 667 O THR A 40 -18.499 15.058 -2.834 1.00 0.00 O ATOM 668 CB THR A 40 -18.384 14.152 -6.147 1.00 0.00 C ATOM 669 OG1 THR A 40 -17.755 14.570 -7.339 1.00 0.00 O ATOM 670 CG2 THR A 40 -19.760 14.815 -6.096 1.00 0.00 C ATOM 0 H THR A 40 -16.132 13.274 -5.937 1.00 0.00 H new ATOM 0 HA THR A 40 -17.340 15.593 -4.954 1.00 0.00 H new ATOM 0 HB THR A 40 -18.526 13.072 -6.111 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.152 13.865 -7.655 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.339 14.518 -6.970 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.281 14.502 -5.192 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.642 15.899 -6.090 1.00 0.00 H new ATOM 678 N GLU A 41 -18.293 12.870 -3.324 1.00 0.00 N ATOM 679 CA GLU A 41 -18.878 12.382 -2.085 1.00 0.00 C ATOM 680 C GLU A 41 -18.093 12.901 -0.879 1.00 0.00 C ATOM 681 O GLU A 41 -18.680 13.423 0.066 1.00 0.00 O ATOM 682 CB GLU A 41 -18.919 10.849 -2.108 1.00 0.00 C ATOM 683 CG GLU A 41 -19.947 10.336 -3.127 1.00 0.00 C ATOM 684 CD GLU A 41 -19.861 8.821 -3.286 1.00 0.00 C ATOM 685 OE1 GLU A 41 -20.094 8.134 -2.268 1.00 0.00 O ATOM 686 OE2 GLU A 41 -19.565 8.380 -4.416 1.00 0.00 O ATOM 0 H GLU A 41 -18.006 12.126 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.898 12.755 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.932 10.460 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -19.169 10.474 -1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.951 10.614 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.777 10.815 -4.091 1.00 0.00 H new ATOM 693 N LEU A 42 -16.767 12.761 -0.915 1.00 0.00 N ATOM 694 CA LEU A 42 -15.887 13.211 0.154 1.00 0.00 C ATOM 695 C LEU A 42 -16.128 14.695 0.448 1.00 0.00 C ATOM 696 O LEU A 42 -16.412 15.065 1.586 1.00 0.00 O ATOM 697 CB LEU A 42 -14.428 12.923 -0.233 1.00 0.00 C ATOM 698 CG LEU A 42 -13.410 13.268 0.865 1.00 0.00 C ATOM 699 CD1 LEU A 42 -13.592 12.382 2.104 1.00 0.00 C ATOM 700 CD2 LEU A 42 -11.994 13.074 0.308 1.00 0.00 C ATOM 0 H LEU A 42 -16.274 12.328 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 42 -16.104 12.665 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.331 11.867 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.183 13.489 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.568 14.304 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.854 12.656 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.594 12.523 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.457 11.337 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.263 13.316 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.864 12.037 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.847 13.730 -0.550 1.00 0.00 H new ATOM 712 N LYS A 43 -16.046 15.549 -0.575 1.00 0.00 N ATOM 713 CA LYS A 43 -16.280 16.970 -0.380 1.00 0.00 C ATOM 714 C LYS A 43 -17.706 17.230 0.107 1.00 0.00 C ATOM 715 O LYS A 43 -17.902 18.080 0.976 1.00 0.00 O ATOM 716 CB LYS A 43 -15.952 17.780 -1.639 1.00 0.00 C ATOM 717 CG LYS A 43 -14.478 17.699 -2.067 1.00 0.00 C ATOM 718 CD LYS A 43 -13.449 17.988 -0.961 1.00 0.00 C ATOM 719 CE LYS A 43 -13.639 19.334 -0.246 1.00 0.00 C ATOM 720 NZ LYS A 43 -13.606 20.472 -1.180 1.00 0.00 N ATOM 0 H LYS A 43 -15.822 15.280 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.598 17.311 0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.578 17.427 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.213 18.824 -1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.288 16.702 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.316 18.403 -2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.496 17.189 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.450 17.961 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.591 19.330 0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.857 19.459 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.141 21.283 -0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.076 20.205 -2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.578 20.733 -1.443 1.00 0.00 H new ATOM 734 N ASN A 44 -18.703 16.513 -0.414 1.00 0.00 N ATOM 735 CA ASN A 44 -20.069 16.645 0.088 1.00 0.00 C ATOM 736 C ASN A 44 -20.118 16.355 1.589 1.00 0.00 C ATOM 737 O ASN A 44 -20.708 17.119 2.346 1.00 0.00 O ATOM 738 CB ASN A 44 -21.069 15.769 -0.679 1.00 0.00 C ATOM 739 CG ASN A 44 -21.629 16.498 -1.895 1.00 0.00 C ATOM 740 OD1 ASN A 44 -22.750 16.997 -1.864 1.00 0.00 O ATOM 741 ND2 ASN A 44 -20.849 16.579 -2.965 1.00 0.00 N ATOM 0 H ASN A 44 -18.592 15.843 -1.175 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.374 17.678 -0.080 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -20.579 14.849 -0.998 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -21.886 15.482 -0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.175 17.068 -3.798 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -19.923 16.152 -2.954 1.00 0.00 H new ATOM 748 N LYS A 45 -19.483 15.273 2.038 1.00 0.00 N ATOM 749 CA LYS A 45 -19.416 14.968 3.460 1.00 0.00 C ATOM 750 C LYS A 45 -18.696 16.085 4.225 1.00 0.00 C ATOM 751 O LYS A 45 -19.149 16.481 5.295 1.00 0.00 O ATOM 752 CB LYS A 45 -18.772 13.589 3.678 1.00 0.00 C ATOM 753 CG LYS A 45 -19.651 12.450 3.138 1.00 0.00 C ATOM 754 CD LYS A 45 -20.821 12.121 4.080 1.00 0.00 C ATOM 755 CE LYS A 45 -21.832 11.209 3.376 1.00 0.00 C ATOM 756 NZ LYS A 45 -22.920 10.812 4.287 1.00 0.00 N ATOM 0 H LYS A 45 -19.010 14.597 1.437 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.427 14.919 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.800 13.561 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.595 13.436 4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.042 12.728 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.040 11.559 2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.446 11.633 4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.311 13.042 4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.249 11.724 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.324 10.319 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.588 10.195 3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.522 10.299 5.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.418 11.661 4.623 1.00 0.00 H new ATOM 770 N MET A 46 -17.587 16.605 3.689 1.00 0.00 N ATOM 771 CA MET A 46 -16.836 17.672 4.344 1.00 0.00 C ATOM 772 C MET A 46 -17.644 18.968 4.498 1.00 0.00 C ATOM 773 O MET A 46 -17.677 19.530 5.590 1.00 0.00 O ATOM 774 CB MET A 46 -15.533 17.962 3.588 1.00 0.00 C ATOM 775 CG MET A 46 -14.486 16.860 3.775 1.00 0.00 C ATOM 776 SD MET A 46 -12.947 17.158 2.868 1.00 0.00 S ATOM 777 CE MET A 46 -11.945 15.794 3.497 1.00 0.00 C ATOM 0 H MET A 46 -17.191 16.300 2.800 1.00 0.00 H new ATOM 0 HA MET A 46 -16.608 17.311 5.347 1.00 0.00 H new ATOM 0 HB2 MET A 46 -15.751 18.075 2.526 1.00 0.00 H new ATOM 0 HB3 MET A 46 -15.122 18.911 3.931 1.00 0.00 H new ATOM 0 HG2 MET A 46 -14.259 16.763 4.837 1.00 0.00 H new ATOM 0 HG3 MET A 46 -14.910 15.909 3.452 1.00 0.00 H new ATOM 0 HE1 MET A 46 -10.889 16.058 3.433 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.208 15.599 4.537 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.132 14.900 2.901 1.00 0.00 H new ATOM 787 N GLN A 47 -18.237 19.479 3.412 1.00 0.00 N ATOM 788 CA GLN A 47 -18.833 20.817 3.404 1.00 0.00 C ATOM 789 C GLN A 47 -20.133 20.947 2.599 1.00 0.00 C ATOM 790 O GLN A 47 -20.591 22.067 2.379 1.00 0.00 O ATOM 791 CB GLN A 47 -17.764 21.840 2.960 1.00 0.00 C ATOM 792 CG GLN A 47 -17.086 21.563 1.604 1.00 0.00 C ATOM 793 CD GLN A 47 -18.040 21.700 0.420 1.00 0.00 C ATOM 794 OE1 GLN A 47 -18.332 22.806 -0.024 1.00 0.00 O ATOM 795 NE2 GLN A 47 -18.557 20.581 -0.072 1.00 0.00 N ATOM 0 H GLN A 47 -18.316 18.982 2.525 1.00 0.00 H new ATOM 0 HA GLN A 47 -19.152 21.028 4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.228 22.825 2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -16.991 21.885 3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.252 22.253 1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.668 20.556 1.612 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.290 19.679 0.323 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -19.221 20.623 -0.845 1.00 0.00 H new ATOM 804 N GLN A 48 -20.731 19.836 2.157 1.00 0.00 N ATOM 805 CA GLN A 48 -21.882 19.805 1.259 1.00 0.00 C ATOM 806 C GLN A 48 -21.598 20.596 -0.023 1.00 0.00 C ATOM 807 O GLN A 48 -21.111 20.042 -1.008 1.00 0.00 O ATOM 808 CB GLN A 48 -23.164 20.252 1.978 1.00 0.00 C ATOM 809 CG GLN A 48 -23.518 19.286 3.117 1.00 0.00 C ATOM 810 CD GLN A 48 -24.820 19.685 3.801 1.00 0.00 C ATOM 811 OE1 GLN A 48 -24.847 19.966 4.993 1.00 0.00 O ATOM 812 NE2 GLN A 48 -25.918 19.719 3.050 1.00 0.00 N ATOM 0 H GLN A 48 -20.414 18.904 2.425 1.00 0.00 H new ATOM 0 HA GLN A 48 -22.055 18.774 0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.030 21.258 2.377 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -23.988 20.298 1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.608 18.274 2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -22.710 19.272 3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.866 19.480 2.060 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -26.811 19.984 3.465 1.00 0.00 H new ATOM 821 N LYS A 49 -21.857 21.899 0.011 1.00 0.00 N ATOM 822 CA LYS A 49 -21.563 22.851 -1.042 1.00 0.00 C ATOM 823 C LYS A 49 -21.561 24.218 -0.360 1.00 0.00 C ATOM 824 O LYS A 49 -22.616 24.807 -0.135 1.00 0.00 O ATOM 825 CB LYS A 49 -22.601 22.735 -2.171 1.00 0.00 C ATOM 826 CG LYS A 49 -22.186 23.454 -3.463 1.00 0.00 C ATOM 827 CD LYS A 49 -22.100 24.978 -3.303 1.00 0.00 C ATOM 828 CE LYS A 49 -22.042 25.686 -4.658 1.00 0.00 C ATOM 829 NZ LYS A 49 -20.820 25.344 -5.401 1.00 0.00 N ATOM 0 H LYS A 49 -22.301 22.337 0.818 1.00 0.00 H new ATOM 0 HA LYS A 49 -20.601 22.672 -1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -22.771 21.681 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -23.550 23.146 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -21.218 23.074 -3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -22.902 23.217 -4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -22.964 25.335 -2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -21.215 25.234 -2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -22.916 25.412 -5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -22.086 26.765 -4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.809 25.856 -6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.986 25.613 -4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.799 24.320 -5.583 1.00 0.00 H new ATOM 843 N SER A 50 -20.380 24.718 0.003 1.00 0.00 N ATOM 844 CA SER A 50 -20.229 25.964 0.741 1.00 0.00 C ATOM 845 C SER A 50 -20.430 27.186 -0.168 1.00 0.00 C ATOM 846 O SER A 50 -19.503 27.960 -0.390 1.00 0.00 O ATOM 847 CB SER A 50 -18.894 25.964 1.500 1.00 0.00 C ATOM 848 OG SER A 50 -17.835 25.414 0.740 1.00 0.00 O ATOM 0 H SER A 50 -19.494 24.261 -0.211 1.00 0.00 H new ATOM 0 HA SER A 50 -21.017 26.039 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.641 26.986 1.782 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.006 25.397 2.424 1.00 0.00 H new ATOM 0 HG SER A 50 -17.986 24.454 0.616 1.00 0.00 H new ATOM 854 N GLN A 51 -21.673 27.351 -0.640 1.00 0.00 N ATOM 855 CA GLN A 51 -22.253 28.441 -1.424 1.00 0.00 C ATOM 856 C GLN A 51 -21.336 29.139 -2.443 1.00 0.00 C ATOM 857 O GLN A 51 -21.572 29.033 -3.643 1.00 0.00 O ATOM 858 CB GLN A 51 -23.089 29.391 -0.539 1.00 0.00 C ATOM 859 CG GLN A 51 -22.462 29.876 0.779 1.00 0.00 C ATOM 860 CD GLN A 51 -21.430 30.980 0.588 1.00 0.00 C ATOM 861 OE1 GLN A 51 -20.232 30.735 0.687 1.00 0.00 O ATOM 862 NE2 GLN A 51 -21.875 32.198 0.295 1.00 0.00 N ATOM 0 H GLN A 51 -22.377 26.636 -0.457 1.00 0.00 H new ATOM 0 HA GLN A 51 -22.943 27.946 -2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -23.341 30.269 -1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -24.026 28.889 -0.300 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -23.252 30.237 1.437 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -21.991 29.031 1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -22.878 32.370 0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -21.214 32.960 0.146 1.00 0.00 H new ATOM 871 N LYS A 52 -20.328 29.880 -1.994 1.00 0.00 N ATOM 872 CA LYS A 52 -19.395 30.576 -2.862 1.00 0.00 C ATOM 873 C LYS A 52 -18.417 29.575 -3.482 1.00 0.00 C ATOM 874 O LYS A 52 -18.037 29.709 -4.643 1.00 0.00 O ATOM 875 CB LYS A 52 -18.663 31.641 -2.035 1.00 0.00 C ATOM 876 CG LYS A 52 -17.716 32.496 -2.889 1.00 0.00 C ATOM 877 CD LYS A 52 -17.112 33.661 -2.090 1.00 0.00 C ATOM 878 CE LYS A 52 -16.346 33.221 -0.835 1.00 0.00 C ATOM 879 NZ LYS A 52 -15.304 32.226 -1.141 1.00 0.00 N ATOM 0 H LYS A 52 -20.137 30.013 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.924 31.066 -3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -19.395 32.288 -1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -18.094 31.154 -1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.914 31.869 -3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -18.259 32.889 -3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.438 34.222 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.912 34.341 -1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.888 34.092 -0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.046 32.801 -0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.735 32.046 -0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.751 31.340 -1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.689 32.589 -1.897 1.00 0.00 H new ATOM 893 N LYS A 53 -17.962 28.600 -2.693 1.00 0.00 N ATOM 894 CA LYS A 53 -16.906 27.694 -3.111 1.00 0.00 C ATOM 895 C LYS A 53 -17.477 26.607 -4.031 1.00 0.00 C ATOM 896 O LYS A 53 -18.571 26.098 -3.774 1.00 0.00 O ATOM 897 CB LYS A 53 -16.237 27.072 -1.882 1.00 0.00 C ATOM 898 CG LYS A 53 -15.695 28.143 -0.926 1.00 0.00 C ATOM 899 CD LYS A 53 -14.948 27.479 0.234 1.00 0.00 C ATOM 900 CE LYS A 53 -14.429 28.536 1.215 1.00 0.00 C ATOM 901 NZ LYS A 53 -13.711 27.912 2.340 1.00 0.00 N ATOM 0 H LYS A 53 -18.316 28.422 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 53 -16.154 28.252 -3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.956 26.445 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -15.421 26.423 -2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.026 28.816 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.516 28.748 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.612 26.788 0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.114 26.892 -0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.765 29.225 0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.264 29.125 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.371 28.651 2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.354 27.273 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.901 27.370 1.977 1.00 0.00 H new ATOM 915 N PRO A 54 -16.748 26.212 -5.088 1.00 0.00 N ATOM 916 CA PRO A 54 -17.174 25.171 -6.010 1.00 0.00 C ATOM 917 C PRO A 54 -17.014 23.789 -5.363 1.00 0.00 C ATOM 918 O PRO A 54 -16.188 22.986 -5.789 1.00 0.00 O ATOM 919 CB PRO A 54 -16.287 25.362 -7.246 1.00 0.00 C ATOM 920 CG PRO A 54 -14.981 25.887 -6.649 1.00 0.00 C ATOM 921 CD PRO A 54 -15.471 26.772 -5.504 1.00 0.00 C ATOM 0 HA PRO A 54 -18.228 25.236 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.138 24.426 -7.785 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -16.723 26.070 -7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.344 25.078 -6.292 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.400 26.452 -7.378 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -14.758 26.775 -4.679 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -15.585 27.806 -5.830 1.00 0.00 H new ATOM 929 N GLU A 55 -17.806 23.501 -4.323 1.00 0.00 N ATOM 930 CA GLU A 55 -17.795 22.224 -3.620 1.00 0.00 C ATOM 931 C GLU A 55 -16.365 21.848 -3.215 1.00 0.00 C ATOM 932 O GLU A 55 -16.106 21.442 -2.083 1.00 0.00 O ATOM 933 CB GLU A 55 -18.436 21.144 -4.507 1.00 0.00 C ATOM 934 CG GLU A 55 -18.772 19.876 -3.714 1.00 0.00 C ATOM 935 CD GLU A 55 -19.203 18.744 -4.640 1.00 0.00 C ATOM 936 OE1 GLU A 55 -18.291 18.052 -5.141 1.00 0.00 O ATOM 937 OE2 GLU A 55 -20.429 18.591 -4.832 1.00 0.00 O ATOM 0 H GLU A 55 -18.482 24.164 -3.944 1.00 0.00 H new ATOM 0 HA GLU A 55 -18.381 22.307 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -19.345 21.540 -4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -17.756 20.893 -5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.902 19.565 -3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -19.569 20.090 -3.002 1.00 0.00 H new TER 944 GLU A 55