USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 697 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 NoAdj-H: A 855 ARGHH11 : A 855 ARG NH1 : A 889 THR OG1 :(H bumps) USER MOD NoAdj-H: A 890 HIS H : A 890 HIS N : A 855 ARG O :(H bumps) USER MOD Single : A 836 SER OG : rot 180:sc= 0 USER MOD Single : A 840 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 842 CYS SG : rot 180:sc= 0 USER MOD Single : A 843 GLN : amide:sc= -0.463 K(o=-0.46,f=-3.7!) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -90:sc= -2.5! USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 881 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.6!) USER MOD Single : A 885 MET CE :methyl 139:sc= -16.6! (180deg=-24.8!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 890 HIS : no HD1:sc= -13.9! C(o=-14!,f=-17!) USER MOD Single : A 894 SER OG : rot 180:sc= 0 USER MOD Single : A 897 LYS NZ :NH3+ 153:sc= -16.6! (180deg=-17.1!) USER MOD Single : A 898 ASN : amide:sc= -28.4! C(o=-28!,f=-38!) USER MOD Single : A 902 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.77) USER MOD Single : A 903 GLN : amide:sc= -5.12! C(o=-5.1!,f=-10!) USER MOD Single : A 905 SER OG : rot 155:sc= -1.04! USER MOD Single : A 912 CYS SG : rot 170:sc= -13.4! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot 80:sc= 0.00531 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 835 -13.230 -3.821 12.313 1.00 0.00 N ATOM 2 CA GLY A 835 -12.238 -3.979 11.268 1.00 0.00 C ATOM 3 C GLY A 835 -12.553 -3.058 10.098 1.00 0.00 C ATOM 4 O GLY A 835 -13.716 -2.858 9.757 1.00 0.00 O ATOM 0 HA2 GLY A 835 -11.247 -3.753 11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -12.218 -5.015 10.929 1.00 0.00 H new ATOM 8 N SER A 836 -11.510 -2.496 9.482 1.00 0.00 N ATOM 9 CA SER A 836 -11.680 -1.601 8.355 1.00 0.00 C ATOM 10 C SER A 836 -11.552 -2.380 7.054 1.00 0.00 C ATOM 11 O SER A 836 -12.491 -2.429 6.262 1.00 0.00 O ATOM 12 CB SER A 836 -10.636 -0.491 8.427 1.00 0.00 C ATOM 13 OG SER A 836 -11.226 0.676 8.955 1.00 0.00 O ATOM 0 H SER A 836 -10.539 -2.651 9.753 1.00 0.00 H new ATOM 0 HA SER A 836 -12.672 -1.151 8.389 1.00 0.00 H new ATOM 0 HB2 SER A 836 -9.800 -0.804 9.053 1.00 0.00 H new ATOM 0 HB3 SER A 836 -10.234 -0.291 7.434 1.00 0.00 H new ATOM 0 HG SER A 836 -10.555 1.389 9.003 1.00 0.00 H new ATOM 19 N ALA A 837 -10.385 -2.990 6.834 1.00 0.00 N ATOM 20 CA ALA A 837 -10.139 -3.761 5.632 1.00 0.00 C ATOM 21 C ALA A 837 -11.374 -4.581 5.285 1.00 0.00 C ATOM 22 O ALA A 837 -11.967 -4.395 4.225 1.00 0.00 O ATOM 23 CB ALA A 837 -8.931 -4.668 5.848 1.00 0.00 C ATOM 0 H ALA A 837 -9.597 -2.959 7.481 1.00 0.00 H new ATOM 0 HA ALA A 837 -9.927 -3.089 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -8.745 -5.248 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -8.055 -4.060 6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -9.128 -5.345 6.679 1.00 0.00 H new ATOM 29 N ASP A 838 -11.760 -5.491 6.183 1.00 0.00 N ATOM 30 CA ASP A 838 -12.919 -6.334 5.967 1.00 0.00 C ATOM 31 C ASP A 838 -14.083 -5.490 5.466 1.00 0.00 C ATOM 32 O ASP A 838 -14.836 -5.923 4.597 1.00 0.00 O ATOM 33 CB ASP A 838 -13.283 -7.040 7.269 1.00 0.00 C ATOM 34 CG ASP A 838 -12.052 -7.661 7.914 1.00 0.00 C ATOM 35 OD1 ASP A 838 -11.563 -8.665 7.352 1.00 0.00 O ATOM 36 OD2 ASP A 838 -11.623 -7.121 8.956 1.00 0.00 O ATOM 0 H ASP A 838 -11.279 -5.657 7.067 1.00 0.00 H new ATOM 0 HA ASP A 838 -12.691 -7.087 5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -13.739 -6.329 7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -14.025 -7.814 7.072 1.00 0.00 H new ATOM 41 N GLU A 839 -14.229 -4.283 6.018 1.00 0.00 N ATOM 42 CA GLU A 839 -15.300 -3.390 5.622 1.00 0.00 C ATOM 43 C GLU A 839 -14.966 -2.739 4.287 1.00 0.00 C ATOM 44 O GLU A 839 -15.863 -2.380 3.528 1.00 0.00 O ATOM 45 CB GLU A 839 -15.503 -2.332 6.704 1.00 0.00 C ATOM 46 CG GLU A 839 -16.766 -2.652 7.497 1.00 0.00 C ATOM 47 CD GLU A 839 -17.825 -1.579 7.289 1.00 0.00 C ATOM 48 OE1 GLU A 839 -17.635 -0.478 7.848 1.00 0.00 O ATOM 49 OE2 GLU A 839 -18.805 -1.880 6.573 1.00 0.00 O ATOM 0 H GLU A 839 -13.614 -3.909 6.741 1.00 0.00 H new ATOM 0 HA GLU A 839 -16.225 -3.955 5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -14.640 -2.306 7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -15.586 -1.344 6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -17.159 -3.621 7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -16.525 -2.730 8.557 1.00 0.00 H new ATOM 56 N THR A 840 -13.671 -2.588 4.002 1.00 0.00 N ATOM 57 CA THR A 840 -13.231 -1.984 2.761 1.00 0.00 C ATOM 58 C THR A 840 -13.319 -2.998 1.630 1.00 0.00 C ATOM 59 O THR A 840 -13.879 -2.709 0.575 1.00 0.00 O ATOM 60 CB THR A 840 -11.800 -1.477 2.922 1.00 0.00 C ATOM 61 OG1 THR A 840 -11.644 -0.914 4.205 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.513 -0.417 1.863 1.00 0.00 C ATOM 0 H THR A 840 -12.914 -2.879 4.621 1.00 0.00 H new ATOM 0 HA THR A 840 -13.877 -1.141 2.515 1.00 0.00 H new ATOM 0 HB THR A 840 -11.104 -2.307 2.802 1.00 0.00 H new ATOM 0 HG1 THR A 840 -10.725 -0.590 4.310 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.491 -0.055 1.978 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.634 -0.852 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 840 -12.208 0.414 1.982 1.00 0.00 H new ATOM 70 N LEU A 841 -12.762 -4.191 1.852 1.00 0.00 N ATOM 71 CA LEU A 841 -12.779 -5.242 0.854 1.00 0.00 C ATOM 72 C LEU A 841 -14.208 -5.717 0.629 1.00 0.00 C ATOM 73 O LEU A 841 -14.455 -6.566 -0.225 1.00 0.00 O ATOM 74 CB LEU A 841 -11.893 -6.395 1.315 1.00 0.00 C ATOM 75 CG LEU A 841 -10.441 -6.099 0.949 1.00 0.00 C ATOM 76 CD1 LEU A 841 -10.107 -6.761 -0.384 1.00 0.00 C ATOM 77 CD2 LEU A 841 -10.245 -4.590 0.832 1.00 0.00 C ATOM 0 H LEU A 841 -12.293 -4.446 2.721 1.00 0.00 H new ATOM 0 HA LEU A 841 -12.392 -4.858 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -11.987 -6.532 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -12.215 -7.325 0.846 1.00 0.00 H new ATOM 0 HG LEU A 841 -9.783 -6.492 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -9.070 -6.550 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -10.248 -7.839 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -10.764 -6.368 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -9.208 -4.377 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -10.903 -4.197 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -10.484 -4.117 1.785 1.00 0.00 H new ATOM 89 N CYS A 842 -15.149 -5.165 1.399 1.00 0.00 N ATOM 90 CA CYS A 842 -16.547 -5.529 1.284 1.00 0.00 C ATOM 91 C CYS A 842 -16.999 -5.363 -0.160 1.00 0.00 C ATOM 92 O CYS A 842 -18.117 -5.738 -0.507 1.00 0.00 O ATOM 93 CB CYS A 842 -17.378 -4.653 2.217 1.00 0.00 C ATOM 94 SG CYS A 842 -18.853 -5.574 2.718 1.00 0.00 S ATOM 0 H CYS A 842 -14.957 -4.460 2.111 1.00 0.00 H new ATOM 0 HA CYS A 842 -16.684 -6.571 1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -16.793 -4.372 3.092 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -17.662 -3.729 1.714 1.00 0.00 H new ATOM 0 HG CYS A 842 -19.572 -4.841 3.516 1.00 0.00 H new ATOM 100 N GLN A 843 -16.129 -4.801 -1.001 1.00 0.00 N ATOM 101 CA GLN A 843 -16.446 -4.590 -2.399 1.00 0.00 C ATOM 102 C GLN A 843 -15.511 -5.415 -3.272 1.00 0.00 C ATOM 103 O GLN A 843 -14.671 -4.864 -3.980 1.00 0.00 O ATOM 104 CB GLN A 843 -16.322 -3.105 -2.728 1.00 0.00 C ATOM 105 CG GLN A 843 -16.818 -2.278 -1.545 1.00 0.00 C ATOM 106 CD GLN A 843 -18.092 -1.527 -1.904 1.00 0.00 C ATOM 107 OE1 GLN A 843 -18.578 -1.626 -3.029 1.00 0.00 O ATOM 108 NE2 GLN A 843 -18.633 -0.774 -0.944 1.00 0.00 N ATOM 0 H GLN A 843 -15.198 -4.486 -0.729 1.00 0.00 H new ATOM 0 HA GLN A 843 -17.469 -4.910 -2.596 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.284 -2.856 -2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -16.903 -2.869 -3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -17.004 -2.931 -0.692 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -16.047 -1.570 -1.242 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -18.192 -0.724 -0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -19.487 -0.248 -1.129 1.00 0.00 H new ATOM 117 N THR A 844 -15.657 -6.741 -3.221 1.00 0.00 N ATOM 118 CA THR A 844 -14.826 -7.630 -4.007 1.00 0.00 C ATOM 119 C THR A 844 -13.389 -7.571 -3.510 1.00 0.00 C ATOM 120 O THR A 844 -12.900 -8.520 -2.902 1.00 0.00 O ATOM 121 CB THR A 844 -14.906 -7.231 -5.478 1.00 0.00 C ATOM 122 OG1 THR A 844 -15.331 -8.337 -6.242 1.00 0.00 O ATOM 123 CG2 THR A 844 -13.530 -6.780 -5.958 1.00 0.00 C ATOM 0 H THR A 844 -16.348 -7.215 -2.639 1.00 0.00 H new ATOM 0 HA THR A 844 -15.183 -8.654 -3.901 1.00 0.00 H new ATOM 0 HB THR A 844 -15.617 -6.414 -5.595 1.00 0.00 H new ATOM 0 HG1 THR A 844 -15.384 -8.081 -7.186 1.00 0.00 H new ATOM 0 HG21 THR A 844 -13.587 -6.495 -7.009 1.00 0.00 H new ATOM 0 HG22 THR A 844 -13.201 -5.925 -5.367 1.00 0.00 H new ATOM 0 HG23 THR A 844 -12.818 -7.597 -5.842 1.00 0.00 H new ATOM 131 N LYS A 845 -12.712 -6.450 -3.770 1.00 0.00 N ATOM 132 CA LYS A 845 -11.337 -6.274 -3.348 1.00 0.00 C ATOM 133 C LYS A 845 -11.017 -4.790 -3.229 1.00 0.00 C ATOM 134 O LYS A 845 -9.906 -4.420 -2.858 1.00 0.00 O ATOM 135 CB LYS A 845 -10.407 -6.947 -4.354 1.00 0.00 C ATOM 136 CG LYS A 845 -9.543 -7.979 -3.635 1.00 0.00 C ATOM 137 CD LYS A 845 -10.352 -9.253 -3.411 1.00 0.00 C ATOM 138 CE LYS A 845 -10.662 -9.404 -1.925 1.00 0.00 C ATOM 139 NZ LYS A 845 -10.854 -10.818 -1.566 1.00 0.00 N ATOM 0 H LYS A 845 -13.103 -5.653 -4.273 1.00 0.00 H new ATOM 0 HA LYS A 845 -11.192 -6.736 -2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -10.990 -7.428 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -9.776 -6.201 -4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -8.654 -8.199 -4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -9.201 -7.580 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -11.278 -9.214 -3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -9.793 -10.119 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -9.847 -8.983 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -11.560 -8.838 -1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -11.064 -10.893 -0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -11.647 -11.210 -2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -9.988 -11.351 -1.781 1.00 0.00 H new ATOM 153 N VAL A 846 -11.998 -3.940 -3.545 1.00 0.00 N ATOM 154 CA VAL A 846 -11.818 -2.504 -3.473 1.00 0.00 C ATOM 155 C VAL A 846 -10.449 -2.128 -4.021 1.00 0.00 C ATOM 156 O VAL A 846 -9.427 -2.561 -3.494 1.00 0.00 O ATOM 157 CB VAL A 846 -11.965 -2.047 -2.024 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.429 -1.723 -1.739 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.498 -3.159 -1.090 1.00 0.00 C ATOM 0 H VAL A 846 -12.925 -4.232 -3.853 1.00 0.00 H new ATOM 0 HA VAL A 846 -12.578 -2.007 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 846 -11.358 -1.157 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.535 -1.397 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -13.762 -0.928 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -14.037 -2.613 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.603 -2.833 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -12.105 -4.050 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -10.452 -3.390 -1.293 1.00 0.00 H new ATOM 169 N LEU A 847 -10.431 -1.320 -5.084 1.00 0.00 N ATOM 170 CA LEU A 847 -9.190 -0.890 -5.697 1.00 0.00 C ATOM 171 C LEU A 847 -9.374 0.483 -6.327 1.00 0.00 C ATOM 172 O LEU A 847 -9.455 0.603 -7.547 1.00 0.00 O ATOM 173 CB LEU A 847 -8.761 -1.912 -6.745 1.00 0.00 C ATOM 174 CG LEU A 847 -8.995 -3.321 -6.207 1.00 0.00 C ATOM 175 CD1 LEU A 847 -7.999 -3.611 -5.088 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.417 -3.428 -5.664 1.00 0.00 C ATOM 0 H LEU A 847 -11.270 -0.954 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 847 -8.411 -0.818 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.326 -1.764 -7.665 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.708 -1.776 -6.992 1.00 0.00 H new ATOM 0 HG LEU A 847 -8.858 -4.044 -7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -8.166 -4.617 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -6.983 -3.535 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.135 -2.888 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.585 -4.434 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.555 -2.705 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -11.128 -3.222 -6.464 1.00 0.00 H new ATOM 188 N LEU A 848 -9.439 1.522 -5.490 1.00 0.00 N ATOM 189 CA LEU A 848 -9.612 2.879 -5.967 1.00 0.00 C ATOM 190 C LEU A 848 -8.259 3.477 -6.325 1.00 0.00 C ATOM 191 O LEU A 848 -7.225 2.846 -6.119 1.00 0.00 O ATOM 192 CB LEU A 848 -10.304 3.712 -4.891 1.00 0.00 C ATOM 193 CG LEU A 848 -11.786 3.847 -5.228 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.591 3.971 -3.938 1.00 0.00 C ATOM 195 CD2 LEU A 848 -12.001 5.092 -6.084 1.00 0.00 C ATOM 0 H LEU A 848 -9.373 1.439 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.234 2.877 -6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.183 3.239 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -9.843 4.698 -4.827 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.116 2.966 -5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.650 4.068 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.437 3.082 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.262 4.852 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -13.059 5.189 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -11.672 5.973 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -11.425 5.004 -7.005 1.00 0.00 H new ATOM 207 N ASP A 849 -8.268 4.699 -6.862 1.00 0.00 N ATOM 208 CA ASP A 849 -7.045 5.375 -7.246 1.00 0.00 C ATOM 209 C ASP A 849 -6.357 5.935 -6.010 1.00 0.00 C ATOM 210 O ASP A 849 -5.945 7.093 -5.998 1.00 0.00 O ATOM 211 CB ASP A 849 -7.370 6.489 -8.237 1.00 0.00 C ATOM 212 CG ASP A 849 -8.144 7.610 -7.560 1.00 0.00 C ATOM 213 OD1 ASP A 849 -9.070 7.275 -6.789 1.00 0.00 O ATOM 214 OD2 ASP A 849 -7.797 8.781 -7.825 1.00 0.00 O ATOM 0 H ASP A 849 -9.117 5.236 -7.038 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.368 4.668 -7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -6.447 6.884 -8.662 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -7.955 6.086 -9.064 1.00 0.00 H new ATOM 219 N ILE A 850 -6.235 5.111 -4.967 1.00 0.00 N ATOM 220 CA ILE A 850 -5.598 5.525 -3.733 1.00 0.00 C ATOM 221 C ILE A 850 -4.100 5.680 -3.953 1.00 0.00 C ATOM 222 O ILE A 850 -3.635 6.747 -4.348 1.00 0.00 O ATOM 223 CB ILE A 850 -5.882 4.495 -2.643 1.00 0.00 C ATOM 224 CG1 ILE A 850 -6.962 3.530 -3.124 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.361 5.208 -1.382 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.334 4.173 -2.945 1.00 0.00 C ATOM 0 H ILE A 850 -6.574 4.149 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 850 -6.000 6.488 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 850 -4.971 3.939 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -6.800 3.279 -4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -6.909 2.598 -2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.564 4.473 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -5.590 5.897 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.272 5.764 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.106 3.484 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.494 4.402 -1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.383 5.093 -3.527 1.00 0.00 H new ATOM 238 N PHE A 851 -3.342 4.611 -3.697 1.00 0.00 N ATOM 239 CA PHE A 851 -1.904 4.636 -3.869 1.00 0.00 C ATOM 240 C PHE A 851 -1.562 4.993 -5.309 1.00 0.00 C ATOM 241 O PHE A 851 -0.495 4.635 -5.803 1.00 0.00 O ATOM 242 CB PHE A 851 -1.325 3.273 -3.498 1.00 0.00 C ATOM 243 CG PHE A 851 -1.986 2.645 -2.294 1.00 0.00 C ATOM 244 CD1 PHE A 851 -2.055 3.350 -1.086 1.00 0.00 C ATOM 245 CD2 PHE A 851 -2.528 1.358 -2.385 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.666 2.767 0.030 1.00 0.00 C ATOM 247 CE2 PHE A 851 -3.139 0.775 -1.269 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.208 1.479 -0.061 1.00 0.00 C ATOM 0 H PHE A 851 -3.711 3.718 -3.369 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.469 5.392 -3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.426 2.600 -4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.258 3.381 -3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -1.637 4.343 -1.016 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -2.475 0.814 -3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.720 3.311 0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -3.557 -0.218 -1.340 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.679 1.029 0.800 1.00 0.00 H new ATOM 258 N THR A 852 -2.472 5.701 -5.983 1.00 0.00 N ATOM 259 CA THR A 852 -2.258 6.101 -7.359 1.00 0.00 C ATOM 260 C THR A 852 -0.809 6.523 -7.557 1.00 0.00 C ATOM 261 O THR A 852 -0.398 7.582 -7.088 1.00 0.00 O ATOM 262 CB THR A 852 -3.207 7.244 -7.708 1.00 0.00 C ATOM 263 OG1 THR A 852 -3.692 7.068 -9.020 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.459 8.572 -7.617 1.00 0.00 C ATOM 0 H THR A 852 -3.363 6.005 -5.589 1.00 0.00 H new ATOM 0 HA THR A 852 -2.462 5.260 -8.022 1.00 0.00 H new ATOM 0 HB THR A 852 -4.043 7.248 -7.009 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.303 7.801 -9.244 1.00 0.00 H new ATOM 0 HG21 THR A 852 -3.136 9.389 -7.866 1.00 0.00 H new ATOM 0 HG22 THR A 852 -2.083 8.709 -6.603 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.623 8.567 -8.317 1.00 0.00 H new ATOM 272 N GLY A 853 -0.034 5.691 -8.257 1.00 0.00 N ATOM 273 CA GLY A 853 1.362 5.985 -8.511 1.00 0.00 C ATOM 274 C GLY A 853 2.180 5.804 -7.240 1.00 0.00 C ATOM 275 O GLY A 853 3.397 5.975 -7.252 1.00 0.00 O ATOM 0 H GLY A 853 -0.358 4.810 -8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.743 5.328 -9.293 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.465 7.007 -8.875 1.00 0.00 H new ATOM 279 N VAL A 854 1.507 5.456 -6.141 1.00 0.00 N ATOM 280 CA VAL A 854 2.171 5.254 -4.869 1.00 0.00 C ATOM 281 C VAL A 854 2.917 3.928 -4.884 1.00 0.00 C ATOM 282 O VAL A 854 2.302 2.866 -4.819 1.00 0.00 O ATOM 283 CB VAL A 854 1.137 5.281 -3.747 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.748 4.692 -2.478 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.710 6.722 -3.483 1.00 0.00 C ATOM 0 H VAL A 854 0.498 5.310 -6.116 1.00 0.00 H new ATOM 0 HA VAL A 854 2.893 6.053 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 854 0.268 4.692 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 854 1.010 4.711 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 854 2.054 3.663 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.617 5.281 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -0.029 6.742 -2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.579 7.311 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.274 7.144 -4.389 1.00 0.00 H new ATOM 295 N ARG A 855 4.248 3.991 -4.969 1.00 0.00 N ATOM 296 CA ARG A 855 5.070 2.798 -4.992 1.00 0.00 C ATOM 297 C ARG A 855 5.596 2.507 -3.593 1.00 0.00 C ATOM 298 O ARG A 855 6.725 2.866 -3.265 1.00 0.00 O ATOM 299 CB ARG A 855 6.223 2.995 -5.972 1.00 0.00 C ATOM 300 CG ARG A 855 7.381 3.691 -5.262 1.00 0.00 C ATOM 301 CD ARG A 855 8.325 4.293 -6.299 1.00 0.00 C ATOM 302 NE ARG A 855 7.581 5.020 -7.328 1.00 0.00 N ATOM 303 CZ ARG A 855 7.540 6.358 -7.385 1.00 0.00 C ATOM 304 NH1 ARG A 855 8.200 7.088 -6.476 1.00 0.00 N ATOM 305 NH2 ARG A 855 6.839 6.966 -8.352 1.00 0.00 N ATOM 0 H ARG A 855 4.773 4.864 -5.023 1.00 0.00 H new ATOM 0 HA ARG A 855 4.473 1.947 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.549 2.032 -6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 855 5.893 3.591 -6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 855 7.001 4.472 -4.603 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.918 2.979 -4.635 1.00 0.00 H new ATOM 0 HD2 ARG A 855 9.027 4.967 -5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 855 8.914 3.501 -6.762 1.00 0.00 H new ATOM 0 HE ARG A 855 7.072 4.485 -8.032 1.00 0.00 H new ATOM 0 HH12 ARG A 855 8.169 8.107 -6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 855 6.337 6.410 -9.044 1.00 0.00 H new ATOM 0 HH22 ARG A 855 6.808 7.985 -8.396 1.00 0.00 H new ATOM 319 N LEU A 856 4.774 1.853 -2.769 1.00 0.00 N ATOM 320 CA LEU A 856 5.159 1.517 -1.413 1.00 0.00 C ATOM 321 C LEU A 856 5.589 0.059 -1.344 1.00 0.00 C ATOM 322 O LEU A 856 4.955 -0.807 -1.944 1.00 0.00 O ATOM 323 CB LEU A 856 3.987 1.780 -0.472 1.00 0.00 C ATOM 324 CG LEU A 856 3.301 0.459 -0.134 1.00 0.00 C ATOM 325 CD1 LEU A 856 4.345 -0.552 0.331 1.00 0.00 C ATOM 326 CD2 LEU A 856 2.281 0.686 0.978 1.00 0.00 C ATOM 0 H LEU A 856 3.835 1.548 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 856 6.001 2.138 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 856 4.340 2.263 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 856 3.277 2.462 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 856 2.794 0.076 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 856 3.856 -1.496 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 856 5.074 -0.714 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 856 4.853 -0.170 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 856 1.791 -0.257 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 856 2.788 1.069 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 856 1.535 1.408 0.646 1.00 0.00 H new ATOM 338 N TYR A 857 6.671 -0.213 -0.610 1.00 0.00 N ATOM 339 CA TYR A 857 7.179 -1.563 -0.470 1.00 0.00 C ATOM 340 C TYR A 857 6.344 -2.325 0.550 1.00 0.00 C ATOM 341 O TYR A 857 6.518 -2.148 1.754 1.00 0.00 O ATOM 342 CB TYR A 857 8.642 -1.512 -0.041 1.00 0.00 C ATOM 343 CG TYR A 857 8.990 -2.511 1.036 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.694 -3.868 0.854 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.608 -2.082 2.216 1.00 0.00 C ATOM 346 CE1 TYR A 857 9.016 -4.794 1.853 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.930 -3.008 3.215 1.00 0.00 C ATOM 348 CZ TYR A 857 9.634 -4.364 3.034 1.00 0.00 C ATOM 349 OH TYR A 857 9.948 -5.267 4.007 1.00 0.00 O ATOM 0 H TYR A 857 7.208 0.493 -0.105 1.00 0.00 H new ATOM 0 HA TYR A 857 7.112 -2.083 -1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.274 -1.693 -0.911 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.872 -0.509 0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 857 8.218 -4.200 -0.057 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.837 -1.036 2.356 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.788 -5.840 1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.407 -2.676 4.125 1.00 0.00 H new ATOM 0 HH TYR A 857 10.372 -4.803 4.759 1.00 0.00 H new ATOM 359 N LEU A 858 5.436 -3.175 0.065 1.00 0.00 N ATOM 360 CA LEU A 858 4.581 -3.958 0.934 1.00 0.00 C ATOM 361 C LEU A 858 5.339 -5.175 1.445 1.00 0.00 C ATOM 362 O LEU A 858 5.660 -6.078 0.674 1.00 0.00 O ATOM 363 CB LEU A 858 3.331 -4.383 0.168 1.00 0.00 C ATOM 364 CG LEU A 858 2.379 -5.110 1.113 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.734 -4.768 2.557 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.945 -4.675 0.824 1.00 0.00 C ATOM 0 H LEU A 858 5.280 -3.333 -0.931 1.00 0.00 H new ATOM 0 HA LEU A 858 4.280 -3.356 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.839 -3.510 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.604 -5.034 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 858 2.470 -6.186 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 858 2.054 -5.288 3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.758 -5.079 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.644 -3.692 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.264 -5.194 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.854 -3.599 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.691 -4.921 -0.207 1.00 0.00 H new ATOM 378 N PRO A 859 5.626 -5.198 2.748 1.00 0.00 N ATOM 379 CA PRO A 859 6.336 -6.271 3.409 1.00 0.00 C ATOM 380 C PRO A 859 5.434 -7.492 3.514 1.00 0.00 C ATOM 381 O PRO A 859 4.224 -7.360 3.680 1.00 0.00 O ATOM 382 CB PRO A 859 6.677 -5.722 4.793 1.00 0.00 C ATOM 383 CG PRO A 859 5.529 -4.750 5.062 1.00 0.00 C ATOM 384 CD PRO A 859 5.264 -4.153 3.682 1.00 0.00 C ATOM 0 HA PRO A 859 7.231 -6.582 2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.722 -6.512 5.542 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.644 -5.219 4.802 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.651 -5.260 5.458 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.807 -3.985 5.787 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.218 -3.867 3.569 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.859 -3.254 3.519 1.00 0.00 H new ATOM 392 N PRO A 860 6.027 -8.685 3.415 1.00 0.00 N ATOM 393 CA PRO A 860 5.330 -9.951 3.491 1.00 0.00 C ATOM 394 C PRO A 860 4.894 -10.208 4.926 1.00 0.00 C ATOM 395 O PRO A 860 3.957 -10.966 5.166 1.00 0.00 O ATOM 396 CB PRO A 860 6.354 -10.989 3.036 1.00 0.00 C ATOM 397 CG PRO A 860 7.682 -10.365 3.465 1.00 0.00 C ATOM 398 CD PRO A 860 7.448 -8.877 3.220 1.00 0.00 C ATOM 0 HA PRO A 860 4.431 -9.978 2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 860 6.189 -11.956 3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 860 6.313 -11.153 1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 860 7.908 -10.573 4.511 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.517 -10.746 2.877 1.00 0.00 H new ATOM 0 HD2 PRO A 860 8.028 -8.267 3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.751 -8.590 2.213 1.00 0.00 H new ATOM 406 N SER A 861 5.577 -9.574 5.882 1.00 0.00 N ATOM 407 CA SER A 861 5.256 -9.738 7.286 1.00 0.00 C ATOM 408 C SER A 861 4.041 -8.893 7.640 1.00 0.00 C ATOM 409 O SER A 861 3.459 -9.057 8.710 1.00 0.00 O ATOM 410 CB SER A 861 6.461 -9.336 8.132 1.00 0.00 C ATOM 411 OG SER A 861 6.913 -10.452 8.866 1.00 0.00 O ATOM 0 H SER A 861 6.357 -8.942 5.700 1.00 0.00 H new ATOM 0 HA SER A 861 5.018 -10.782 7.490 1.00 0.00 H new ATOM 0 HB2 SER A 861 7.259 -8.961 7.492 1.00 0.00 H new ATOM 0 HB3 SER A 861 6.189 -8.527 8.810 1.00 0.00 H new ATOM 0 HG SER A 861 7.688 -10.195 9.408 1.00 0.00 H new ATOM 417 N THR A 862 3.658 -7.987 6.739 1.00 0.00 N ATOM 418 CA THR A 862 2.515 -7.126 6.963 1.00 0.00 C ATOM 419 C THR A 862 1.231 -7.941 6.900 1.00 0.00 C ATOM 420 O THR A 862 1.111 -8.853 6.086 1.00 0.00 O ATOM 421 CB THR A 862 2.502 -6.015 5.916 1.00 0.00 C ATOM 422 OG1 THR A 862 3.025 -4.833 6.479 1.00 0.00 O ATOM 423 CG2 THR A 862 1.068 -5.767 5.455 1.00 0.00 C ATOM 0 H THR A 862 4.130 -7.837 5.847 1.00 0.00 H new ATOM 0 HA THR A 862 2.586 -6.675 7.953 1.00 0.00 H new ATOM 0 HB THR A 862 3.112 -6.312 5.063 1.00 0.00 H new ATOM 0 HG1 THR A 862 2.298 -4.312 6.880 1.00 0.00 H new ATOM 0 HG21 THR A 862 1.058 -4.974 4.707 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.662 -6.681 5.020 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.458 -5.469 6.308 1.00 0.00 H new ATOM 431 N PRO A 863 0.269 -7.608 7.765 1.00 0.00 N ATOM 432 CA PRO A 863 -1.016 -8.268 7.849 1.00 0.00 C ATOM 433 C PRO A 863 -1.866 -7.886 6.647 1.00 0.00 C ATOM 434 O PRO A 863 -1.752 -6.776 6.130 1.00 0.00 O ATOM 435 CB PRO A 863 -1.637 -7.752 9.145 1.00 0.00 C ATOM 436 CG PRO A 863 -1.040 -6.351 9.272 1.00 0.00 C ATOM 437 CD PRO A 863 0.377 -6.541 8.736 1.00 0.00 C ATOM 0 HA PRO A 863 -0.935 -9.355 7.849 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -2.725 -7.724 9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.377 -8.381 9.996 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.599 -5.618 8.689 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -1.039 -6.003 10.305 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.752 -5.626 8.277 1.00 0.00 H new ATOM 0 HD3 PRO A 863 1.070 -6.803 9.536 1.00 0.00 H new ATOM 445 N ASP A 864 -2.721 -8.809 6.200 1.00 0.00 N ATOM 446 CA ASP A 864 -3.583 -8.565 5.060 1.00 0.00 C ATOM 447 C ASP A 864 -2.744 -8.452 3.795 1.00 0.00 C ATOM 448 O ASP A 864 -3.235 -8.005 2.761 1.00 0.00 O ATOM 449 CB ASP A 864 -4.384 -7.288 5.294 1.00 0.00 C ATOM 450 CG ASP A 864 -5.843 -7.607 5.588 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.588 -7.810 4.606 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.185 -7.642 6.790 1.00 0.00 O ATOM 0 H ASP A 864 -2.829 -9.733 6.618 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.277 -9.396 4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -3.954 -6.732 6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.318 -6.647 4.415 1.00 0.00 H new ATOM 457 N PHE A 865 -1.475 -8.859 3.879 1.00 0.00 N ATOM 458 CA PHE A 865 -0.579 -8.800 2.742 1.00 0.00 C ATOM 459 C PHE A 865 -1.269 -9.369 1.510 1.00 0.00 C ATOM 460 O PHE A 865 -1.213 -8.777 0.435 1.00 0.00 O ATOM 461 CB PHE A 865 0.694 -9.580 3.058 1.00 0.00 C ATOM 462 CG PHE A 865 1.823 -9.308 2.093 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.408 -8.037 2.041 1.00 0.00 C ATOM 464 CD2 PHE A 865 2.284 -10.326 1.249 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.454 -7.784 1.145 1.00 0.00 C ATOM 466 CE2 PHE A 865 3.329 -10.072 0.353 1.00 0.00 C ATOM 467 CZ PHE A 865 3.914 -8.802 0.301 1.00 0.00 C ATOM 0 H PHE A 865 -1.052 -9.233 4.729 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.313 -7.763 2.537 1.00 0.00 H new ATOM 0 HB2 PHE A 865 1.022 -9.331 4.067 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.469 -10.646 3.050 1.00 0.00 H new ATOM 0 HD1 PHE A 865 2.053 -7.252 2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 865 1.833 -11.307 1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.906 -6.804 1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 865 3.684 -10.857 -0.299 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.721 -8.607 -0.390 1.00 0.00 H new ATOM 477 N SER A 866 -1.922 -10.523 1.669 1.00 0.00 N ATOM 478 CA SER A 866 -2.619 -11.163 0.572 1.00 0.00 C ATOM 479 C SER A 866 -3.061 -10.116 -0.440 1.00 0.00 C ATOM 480 O SER A 866 -2.409 -9.926 -1.465 1.00 0.00 O ATOM 481 CB SER A 866 -3.821 -11.933 1.114 1.00 0.00 C ATOM 482 OG SER A 866 -4.571 -12.450 0.038 1.00 0.00 O ATOM 0 H SER A 866 -1.977 -11.028 2.554 1.00 0.00 H new ATOM 0 HA SER A 866 -1.951 -11.864 0.071 1.00 0.00 H new ATOM 0 HB2 SER A 866 -3.486 -12.744 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 866 -4.443 -11.276 1.723 1.00 0.00 H new ATOM 0 HG SER A 866 -5.342 -12.946 0.385 1.00 0.00 H new ATOM 488 N ARG A 867 -4.173 -9.436 -0.151 1.00 0.00 N ATOM 489 CA ARG A 867 -4.696 -8.414 -1.035 1.00 0.00 C ATOM 490 C ARG A 867 -3.771 -7.205 -1.030 1.00 0.00 C ATOM 491 O ARG A 867 -3.533 -6.599 -2.072 1.00 0.00 O ATOM 492 CB ARG A 867 -6.099 -8.021 -0.582 1.00 0.00 C ATOM 493 CG ARG A 867 -6.914 -9.281 -0.301 1.00 0.00 C ATOM 494 CD ARG A 867 -7.513 -9.197 1.100 1.00 0.00 C ATOM 495 NE ARG A 867 -8.521 -10.238 1.303 1.00 0.00 N ATOM 496 CZ ARG A 867 -9.011 -10.548 2.511 1.00 0.00 C ATOM 497 NH1 ARG A 867 -8.579 -9.892 3.598 1.00 0.00 N ATOM 498 NH2 ARG A 867 -9.932 -11.513 2.634 1.00 0.00 N ATOM 0 H ARG A 867 -4.725 -9.582 0.694 1.00 0.00 H new ATOM 0 HA ARG A 867 -4.751 -8.801 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -6.044 -7.403 0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.587 -7.423 -1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -7.707 -9.387 -1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -6.280 -10.164 -0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -6.723 -9.301 1.844 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.964 -8.216 1.248 1.00 0.00 H new ATOM 0 HE ARG A 867 -8.865 -10.749 0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.878 -9.157 3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -8.952 -10.128 4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -10.261 -12.012 1.808 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -10.304 -11.748 3.554 1.00 0.00 H new ATOM 512 N LEU A 868 -3.247 -6.856 0.148 1.00 0.00 N ATOM 513 CA LEU A 868 -2.352 -5.725 0.282 1.00 0.00 C ATOM 514 C LEU A 868 -1.496 -5.592 -0.970 1.00 0.00 C ATOM 515 O LEU A 868 -1.433 -4.521 -1.570 1.00 0.00 O ATOM 516 CB LEU A 868 -1.477 -5.913 1.518 1.00 0.00 C ATOM 517 CG LEU A 868 -2.091 -5.163 2.696 1.00 0.00 C ATOM 518 CD1 LEU A 868 -0.988 -4.470 3.489 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.077 -4.120 2.176 1.00 0.00 C ATOM 0 H LEU A 868 -3.434 -7.349 1.021 1.00 0.00 H new ATOM 0 HA LEU A 868 -2.932 -4.810 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -1.387 -6.973 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.470 -5.544 1.323 1.00 0.00 H new ATOM 0 HG LEU A 868 -2.614 -5.867 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -1.427 -3.934 4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -0.284 -5.215 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.464 -3.765 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.516 -3.584 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.554 -3.415 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -3.866 -4.615 1.610 1.00 0.00 H new ATOM 531 N ARG A 869 -0.837 -6.684 -1.362 1.00 0.00 N ATOM 532 CA ARG A 869 0.011 -6.685 -2.537 1.00 0.00 C ATOM 533 C ARG A 869 -0.825 -6.394 -3.776 1.00 0.00 C ATOM 534 O ARG A 869 -0.888 -5.254 -4.231 1.00 0.00 O ATOM 535 CB ARG A 869 0.707 -8.037 -2.660 1.00 0.00 C ATOM 536 CG ARG A 869 1.846 -7.933 -3.670 1.00 0.00 C ATOM 537 CD ARG A 869 3.180 -7.879 -2.930 1.00 0.00 C ATOM 538 NE ARG A 869 3.644 -9.223 -2.587 1.00 0.00 N ATOM 539 CZ ARG A 869 4.329 -9.995 -3.442 1.00 0.00 C ATOM 540 NH1 ARG A 869 4.616 -9.543 -4.670 1.00 0.00 N ATOM 541 NH2 ARG A 869 4.727 -11.219 -3.069 1.00 0.00 N ATOM 0 H ARG A 869 -0.880 -7.579 -0.875 1.00 0.00 H new ATOM 0 HA ARG A 869 0.770 -5.908 -2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 869 1.094 -8.348 -1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 869 -0.006 -8.798 -2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 869 1.827 -8.789 -4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 869 1.722 -7.040 -4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 869 3.924 -7.381 -3.551 1.00 0.00 H new ATOM 0 HD3 ARG A 869 3.073 -7.285 -2.023 1.00 0.00 H new ATOM 0 HE ARG A 869 3.437 -9.588 -1.657 1.00 0.00 H new ATOM 0 HH11 ARG A 869 4.313 -8.611 -4.954 1.00 0.00 H new ATOM 0 HH12 ARG A 869 5.137 -10.130 -5.321 1.00 0.00 H new ATOM 0 HH21 ARG A 869 4.509 -11.563 -2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 869 5.248 -11.806 -3.720 1.00 0.00 H new ATOM 555 N ARG A 870 -1.466 -7.430 -4.321 1.00 0.00 N ATOM 556 CA ARG A 870 -2.293 -7.282 -5.502 1.00 0.00 C ATOM 557 C ARG A 870 -3.109 -6.001 -5.403 1.00 0.00 C ATOM 558 O ARG A 870 -3.021 -5.137 -6.272 1.00 0.00 O ATOM 559 CB ARG A 870 -3.206 -8.496 -5.638 1.00 0.00 C ATOM 560 CG ARG A 870 -2.707 -9.384 -6.775 1.00 0.00 C ATOM 561 CD ARG A 870 -1.366 -10.001 -6.387 1.00 0.00 C ATOM 562 NE ARG A 870 -1.522 -11.410 -6.024 1.00 0.00 N ATOM 563 CZ ARG A 870 -1.687 -12.380 -6.934 1.00 0.00 C ATOM 564 NH1 ARG A 870 -1.713 -12.077 -8.239 1.00 0.00 N ATOM 565 NH2 ARG A 870 -1.826 -13.653 -6.539 1.00 0.00 N ATOM 0 H ARG A 870 -1.423 -8.381 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 870 -1.661 -7.219 -6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -3.223 -9.058 -4.704 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -4.229 -8.175 -5.835 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -3.434 -10.169 -6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -2.600 -8.798 -7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -0.666 -9.911 -7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -0.938 -9.451 -5.549 1.00 0.00 H new ATOM 0 HE ARG A 870 -1.504 -11.665 -5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -1.607 -11.108 -8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 870 -1.839 -12.815 -8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -1.806 -13.884 -5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 870 -1.952 -14.391 -7.232 1.00 0.00 H new ATOM 579 N TYR A 871 -3.907 -5.881 -4.339 1.00 0.00 N ATOM 580 CA TYR A 871 -4.734 -4.708 -4.135 1.00 0.00 C ATOM 581 C TYR A 871 -3.953 -3.455 -4.503 1.00 0.00 C ATOM 582 O TYR A 871 -4.310 -2.753 -5.446 1.00 0.00 O ATOM 583 CB TYR A 871 -5.188 -4.656 -2.679 1.00 0.00 C ATOM 584 CG TYR A 871 -6.263 -3.628 -2.420 1.00 0.00 C ATOM 585 CD1 TYR A 871 -7.385 -3.563 -3.255 1.00 0.00 C ATOM 586 CD2 TYR A 871 -6.139 -2.740 -1.344 1.00 0.00 C ATOM 587 CE1 TYR A 871 -8.382 -2.610 -3.014 1.00 0.00 C ATOM 588 CE2 TYR A 871 -7.136 -1.788 -1.104 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.258 -1.723 -1.939 1.00 0.00 C ATOM 590 OH TYR A 871 -9.230 -0.795 -1.704 1.00 0.00 O ATOM 0 H TYR A 871 -3.992 -6.588 -3.609 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.615 -4.762 -4.775 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.558 -5.639 -2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.328 -4.438 -2.046 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -7.481 -4.248 -4.085 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -5.274 -2.790 -0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -9.247 -2.559 -3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -7.040 -1.103 -0.274 1.00 0.00 H new ATOM 600 N PHE A 872 -2.884 -3.174 -3.754 1.00 0.00 N ATOM 601 CA PHE A 872 -2.060 -2.009 -4.006 1.00 0.00 C ATOM 602 C PHE A 872 -1.700 -1.941 -5.484 1.00 0.00 C ATOM 603 O PHE A 872 -2.450 -1.386 -6.283 1.00 0.00 O ATOM 604 CB PHE A 872 -0.803 -2.080 -3.145 1.00 0.00 C ATOM 605 CG PHE A 872 -0.067 -0.765 -3.043 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.599 -0.248 -4.160 1.00 0.00 C ATOM 607 CD2 PHE A 872 -0.048 -0.065 -1.831 1.00 0.00 C ATOM 608 CE1 PHE A 872 1.283 0.970 -4.066 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.636 1.153 -1.736 1.00 0.00 C ATOM 610 CZ PHE A 872 1.302 1.670 -2.854 1.00 0.00 C ATOM 0 H PHE A 872 -2.575 -3.745 -2.967 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.611 -1.106 -3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -1.076 -2.413 -2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.131 -2.832 -3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.585 -0.789 -5.095 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.561 -0.465 -0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.796 1.369 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.650 1.693 -0.801 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.830 2.609 -2.781 1.00 0.00 H new ATOM 620 N VAL A 873 -0.547 -2.509 -5.845 1.00 0.00 N ATOM 621 CA VAL A 873 -0.093 -2.510 -7.221 1.00 0.00 C ATOM 622 C VAL A 873 -1.292 -2.524 -8.158 1.00 0.00 C ATOM 623 O VAL A 873 -1.256 -1.912 -9.223 1.00 0.00 O ATOM 624 CB VAL A 873 0.796 -3.728 -7.461 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.384 -4.853 -6.516 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.639 -4.194 -8.906 1.00 0.00 C ATOM 0 H VAL A 873 0.086 -2.974 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 873 0.487 -1.609 -7.419 1.00 0.00 H new ATOM 0 HB VAL A 873 1.836 -3.461 -7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 873 1.018 -5.723 -6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.495 -4.520 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.656 -5.121 -6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.273 -5.064 -9.079 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.401 -4.461 -9.091 1.00 0.00 H new ATOM 0 HG23 VAL A 873 0.933 -3.391 -9.581 1.00 0.00 H new ATOM 636 N ALA A 874 -2.356 -3.224 -7.759 1.00 0.00 N ATOM 637 CA ALA A 874 -3.558 -3.314 -8.563 1.00 0.00 C ATOM 638 C ALA A 874 -4.115 -1.920 -8.815 1.00 0.00 C ATOM 639 O ALA A 874 -4.374 -1.551 -9.958 1.00 0.00 O ATOM 640 CB ALA A 874 -4.585 -4.185 -7.846 1.00 0.00 C ATOM 0 H ALA A 874 -2.401 -3.736 -6.878 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.323 -3.770 -9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.490 -4.253 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.174 -5.183 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -4.827 -3.742 -6.880 1.00 0.00 H new ATOM 646 N PHE A 875 -4.298 -1.145 -7.744 1.00 0.00 N ATOM 647 CA PHE A 875 -4.823 0.201 -7.856 1.00 0.00 C ATOM 648 C PHE A 875 -4.191 0.903 -9.050 1.00 0.00 C ATOM 649 O PHE A 875 -4.878 1.588 -9.805 1.00 0.00 O ATOM 650 CB PHE A 875 -4.539 0.965 -6.566 1.00 0.00 C ATOM 651 CG PHE A 875 -5.096 0.294 -5.333 1.00 0.00 C ATOM 652 CD1 PHE A 875 -5.759 -0.934 -5.444 1.00 0.00 C ATOM 653 CD2 PHE A 875 -4.952 0.901 -4.080 1.00 0.00 C ATOM 654 CE1 PHE A 875 -6.276 -1.556 -4.302 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.470 0.280 -2.938 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.132 -0.949 -3.048 1.00 0.00 C ATOM 0 H PHE A 875 -4.087 -1.436 -6.789 1.00 0.00 H new ATOM 0 HA PHE A 875 -5.901 0.164 -8.011 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.461 1.081 -6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -4.960 1.967 -6.646 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -5.871 -1.401 -6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -4.441 1.849 -3.995 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -6.786 -2.504 -4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -5.359 0.749 -1.971 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.531 -1.429 -2.166 1.00 0.00 H new ATOM 666 N ASP A 876 -2.878 0.731 -9.220 1.00 0.00 N ATOM 667 CA ASP A 876 -2.162 1.349 -10.318 1.00 0.00 C ATOM 668 C ASP A 876 -0.781 1.785 -9.851 1.00 0.00 C ATOM 669 O ASP A 876 -0.062 2.462 -10.583 1.00 0.00 O ATOM 670 CB ASP A 876 -2.960 2.541 -10.838 1.00 0.00 C ATOM 671 CG ASP A 876 -3.887 2.123 -11.970 1.00 0.00 C ATOM 672 OD1 ASP A 876 -3.888 0.913 -12.285 1.00 0.00 O ATOM 673 OD2 ASP A 876 -4.578 3.021 -12.498 1.00 0.00 O ATOM 0 H ASP A 876 -2.295 0.165 -8.604 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.039 0.631 -11.129 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.544 2.975 -10.026 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.278 3.315 -11.189 1.00 0.00 H new ATOM 678 N GLY A 877 -0.410 1.397 -8.629 1.00 0.00 N ATOM 679 CA GLY A 877 0.882 1.753 -8.077 1.00 0.00 C ATOM 680 C GLY A 877 1.913 0.684 -8.414 1.00 0.00 C ATOM 681 O GLY A 877 1.888 0.117 -9.504 1.00 0.00 O ATOM 0 H GLY A 877 -0.993 0.835 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 877 1.203 2.716 -8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.805 1.865 -6.996 1.00 0.00 H new ATOM 685 N ASP A 878 2.820 0.411 -7.474 1.00 0.00 N ATOM 686 CA ASP A 878 3.853 -0.585 -7.676 1.00 0.00 C ATOM 687 C ASP A 878 4.399 -1.040 -6.330 1.00 0.00 C ATOM 688 O ASP A 878 4.322 -0.307 -5.347 1.00 0.00 O ATOM 689 CB ASP A 878 4.965 0.005 -8.539 1.00 0.00 C ATOM 690 CG ASP A 878 4.807 -0.418 -9.992 1.00 0.00 C ATOM 691 OD1 ASP A 878 3.737 -0.984 -10.306 1.00 0.00 O ATOM 692 OD2 ASP A 878 5.759 -0.169 -10.763 1.00 0.00 O ATOM 0 H ASP A 878 2.853 0.872 -6.565 1.00 0.00 H new ATOM 0 HA ASP A 878 3.434 -1.451 -8.188 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.947 1.093 -8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.935 -0.323 -8.164 1.00 0.00 H new ATOM 697 N LEU A 879 4.952 -2.255 -6.287 1.00 0.00 N ATOM 698 CA LEU A 879 5.506 -2.801 -5.065 1.00 0.00 C ATOM 699 C LEU A 879 6.912 -3.324 -5.324 1.00 0.00 C ATOM 700 O LEU A 879 7.115 -4.155 -6.206 1.00 0.00 O ATOM 701 CB LEU A 879 4.601 -3.916 -4.550 1.00 0.00 C ATOM 702 CG LEU A 879 3.149 -3.447 -4.579 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.299 -4.365 -3.706 1.00 0.00 C ATOM 704 CD2 LEU A 879 3.065 -2.019 -4.049 1.00 0.00 C ATOM 0 H LEU A 879 5.024 -2.875 -7.094 1.00 0.00 H new ATOM 0 HA LEU A 879 5.564 -2.020 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 879 4.719 -4.808 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.886 -4.190 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 879 2.779 -3.477 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 879 1.262 -4.030 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 879 2.358 -5.385 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.669 -4.337 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 879 2.028 -1.684 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 879 3.436 -1.989 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 879 3.671 -1.363 -4.674 1.00 0.00 H new ATOM 716 N VAL A 880 7.884 -2.835 -4.550 1.00 0.00 N ATOM 717 CA VAL A 880 9.263 -3.254 -4.698 1.00 0.00 C ATOM 718 C VAL A 880 9.656 -4.151 -3.533 1.00 0.00 C ATOM 719 O VAL A 880 9.285 -3.889 -2.392 1.00 0.00 O ATOM 720 CB VAL A 880 10.164 -2.024 -4.761 1.00 0.00 C ATOM 721 CG1 VAL A 880 11.085 -2.129 -5.973 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.303 -0.770 -4.883 1.00 0.00 C ATOM 0 H VAL A 880 7.731 -2.146 -3.814 1.00 0.00 H new ATOM 0 HA VAL A 880 9.378 -3.820 -5.622 1.00 0.00 H new ATOM 0 HB VAL A 880 10.765 -1.966 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.729 -1.250 -6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.700 -3.025 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.486 -2.187 -6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.945 0.109 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.703 -0.828 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.645 -0.695 -4.017 1.00 0.00 H new ATOM 732 N GLN A 881 10.411 -5.214 -3.824 1.00 0.00 N ATOM 733 CA GLN A 881 10.849 -6.143 -2.802 1.00 0.00 C ATOM 734 C GLN A 881 11.803 -5.444 -1.843 1.00 0.00 C ATOM 735 O GLN A 881 12.732 -4.765 -2.274 1.00 0.00 O ATOM 736 CB GLN A 881 11.527 -7.340 -3.462 1.00 0.00 C ATOM 737 CG GLN A 881 10.626 -7.893 -4.563 1.00 0.00 C ATOM 738 CD GLN A 881 11.429 -8.194 -5.820 1.00 0.00 C ATOM 739 OE1 GLN A 881 12.425 -8.912 -5.765 1.00 0.00 O ATOM 740 NE2 GLN A 881 10.992 -7.643 -6.955 1.00 0.00 N ATOM 0 H GLN A 881 10.728 -5.445 -4.766 1.00 0.00 H new ATOM 0 HA GLN A 881 9.989 -6.496 -2.233 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.489 -7.042 -3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.728 -8.112 -2.720 1.00 0.00 H new ATOM 0 HG2 GLN A 881 10.134 -8.801 -4.214 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.840 -7.173 -4.792 1.00 0.00 H new ATOM 0 HE21 GLN A 881 10.159 -7.054 -6.948 1.00 0.00 H new ATOM 0 HE22 GLN A 881 11.491 -7.811 -7.829 1.00 0.00 H new ATOM 749 N GLU A 882 11.571 -5.612 -0.539 1.00 0.00 N ATOM 750 CA GLU A 882 12.411 -4.998 0.470 1.00 0.00 C ATOM 751 C GLU A 882 13.809 -4.770 -0.087 1.00 0.00 C ATOM 752 O GLU A 882 14.207 -3.633 -0.330 1.00 0.00 O ATOM 753 CB GLU A 882 12.460 -5.894 1.704 1.00 0.00 C ATOM 754 CG GLU A 882 13.222 -5.185 2.818 1.00 0.00 C ATOM 755 CD GLU A 882 13.928 -6.189 3.718 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.356 -7.232 3.179 1.00 0.00 O ATOM 757 OE2 GLU A 882 14.026 -5.894 4.929 1.00 0.00 O ATOM 0 H GLU A 882 10.804 -6.171 -0.165 1.00 0.00 H new ATOM 0 HA GLU A 882 11.995 -4.032 0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.449 -6.131 2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.946 -6.839 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.953 -4.501 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.532 -4.583 3.409 1.00 0.00 H new ATOM 764 N PHE A 883 14.556 -5.858 -0.291 1.00 0.00 N ATOM 765 CA PHE A 883 15.903 -5.770 -0.818 1.00 0.00 C ATOM 766 C PHE A 883 15.868 -5.221 -2.237 1.00 0.00 C ATOM 767 O PHE A 883 16.866 -5.276 -2.951 1.00 0.00 O ATOM 768 CB PHE A 883 16.550 -7.152 -0.788 1.00 0.00 C ATOM 769 CG PHE A 883 15.961 -8.115 -1.791 1.00 0.00 C ATOM 770 CD1 PHE A 883 16.435 -8.131 -3.108 1.00 0.00 C ATOM 771 CD2 PHE A 883 14.940 -8.991 -1.404 1.00 0.00 C ATOM 772 CE1 PHE A 883 15.888 -9.023 -4.039 1.00 0.00 C ATOM 773 CE2 PHE A 883 14.392 -9.882 -2.335 1.00 0.00 C ATOM 774 CZ PHE A 883 14.866 -9.898 -3.652 1.00 0.00 C ATOM 0 H PHE A 883 14.242 -6.809 -0.096 1.00 0.00 H new ATOM 0 HA PHE A 883 16.495 -5.092 -0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.618 -7.049 -0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.445 -7.572 0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 883 17.223 -7.455 -3.406 1.00 0.00 H new ATOM 0 HD2 PHE A 883 14.575 -8.980 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 883 16.254 -9.036 -5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 883 13.603 -10.557 -2.037 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.443 -10.585 -4.370 1.00 0.00 H new ATOM 784 N ASP A 884 14.713 -4.690 -2.645 1.00 0.00 N ATOM 785 CA ASP A 884 14.554 -4.135 -3.974 1.00 0.00 C ATOM 786 C ASP A 884 13.682 -2.890 -3.911 1.00 0.00 C ATOM 787 O ASP A 884 12.462 -2.977 -4.034 1.00 0.00 O ATOM 788 CB ASP A 884 13.932 -5.185 -4.891 1.00 0.00 C ATOM 789 CG ASP A 884 14.860 -6.381 -5.056 1.00 0.00 C ATOM 790 OD1 ASP A 884 16.085 -6.172 -4.921 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.326 -7.481 -5.313 1.00 0.00 O ATOM 0 H ASP A 884 13.876 -4.637 -2.065 1.00 0.00 H new ATOM 0 HA ASP A 884 15.528 -3.853 -4.374 1.00 0.00 H new ATOM 0 HB2 ASP A 884 12.978 -5.514 -4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.723 -4.744 -5.866 1.00 0.00 H new ATOM 796 N MET A 885 14.309 -1.727 -3.719 1.00 0.00 N ATOM 797 CA MET A 885 13.586 -0.474 -3.640 1.00 0.00 C ATOM 798 C MET A 885 14.413 0.642 -4.262 1.00 0.00 C ATOM 799 O MET A 885 13.867 1.547 -4.889 1.00 0.00 O ATOM 800 CB MET A 885 13.271 -0.162 -2.180 1.00 0.00 C ATOM 801 CG MET A 885 14.311 -0.825 -1.281 1.00 0.00 C ATOM 802 SD MET A 885 13.833 -0.903 0.463 1.00 0.00 S ATOM 803 CE MET A 885 12.429 -2.037 0.327 1.00 0.00 C ATOM 0 H MET A 885 15.320 -1.636 -3.616 1.00 0.00 H new ATOM 0 HA MET A 885 12.650 -0.556 -4.193 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.271 0.916 -2.020 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.274 -0.522 -1.927 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.496 -1.837 -1.642 1.00 0.00 H new ATOM 0 HG3 MET A 885 15.251 -0.279 -1.366 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.451 -2.744 1.156 1.00 0.00 H new ATOM 0 HE2 MET A 885 11.499 -1.470 0.358 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.491 -2.581 -0.616 1.00 0.00 H new ATOM 813 N THR A 886 15.735 0.576 -4.087 1.00 0.00 N ATOM 814 CA THR A 886 16.626 1.580 -4.634 1.00 0.00 C ATOM 815 C THR A 886 15.856 2.504 -5.567 1.00 0.00 C ATOM 816 O THR A 886 15.926 3.724 -5.434 1.00 0.00 O ATOM 817 CB THR A 886 17.770 0.894 -5.375 1.00 0.00 C ATOM 818 OG1 THR A 886 17.319 0.465 -6.640 1.00 0.00 O ATOM 819 CG2 THR A 886 18.248 -0.311 -4.570 1.00 0.00 C ATOM 0 H THR A 886 16.204 -0.167 -3.569 1.00 0.00 H new ATOM 0 HA THR A 886 17.042 2.180 -3.825 1.00 0.00 H new ATOM 0 HB THR A 886 18.594 1.596 -5.501 1.00 0.00 H new ATOM 0 HG1 THR A 886 18.053 0.026 -7.117 1.00 0.00 H new ATOM 0 HG21 THR A 886 19.065 -0.801 -5.099 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.596 0.020 -3.592 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.425 -1.014 -4.443 1.00 0.00 H new ATOM 827 N SER A 887 15.120 1.918 -6.514 1.00 0.00 N ATOM 828 CA SER A 887 14.341 2.690 -7.461 1.00 0.00 C ATOM 829 C SER A 887 12.904 2.810 -6.973 1.00 0.00 C ATOM 830 O SER A 887 12.137 3.619 -7.489 1.00 0.00 O ATOM 831 CB SER A 887 14.393 2.016 -8.829 1.00 0.00 C ATOM 832 OG SER A 887 15.342 2.672 -9.640 1.00 0.00 O ATOM 0 H SER A 887 15.053 0.908 -6.638 1.00 0.00 H new ATOM 0 HA SER A 887 14.758 3.693 -7.548 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.658 0.964 -8.718 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.411 2.049 -9.300 1.00 0.00 H new ATOM 0 HG SER A 887 15.377 2.239 -10.518 1.00 0.00 H new ATOM 838 N ALA A 888 12.542 2.002 -5.974 1.00 0.00 N ATOM 839 CA ALA A 888 11.203 2.021 -5.423 1.00 0.00 C ATOM 840 C ALA A 888 10.771 3.457 -5.166 1.00 0.00 C ATOM 841 O ALA A 888 11.522 4.391 -5.441 1.00 0.00 O ATOM 842 CB ALA A 888 11.174 1.209 -4.131 1.00 0.00 C ATOM 0 H ALA A 888 13.167 1.327 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 888 10.507 1.575 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 888 10.166 1.223 -3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.466 0.180 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.869 1.644 -3.412 1.00 0.00 H new ATOM 848 N THR A 889 9.558 3.634 -4.639 1.00 0.00 N ATOM 849 CA THR A 889 9.038 4.955 -4.350 1.00 0.00 C ATOM 850 C THR A 889 8.425 4.979 -2.957 1.00 0.00 C ATOM 851 O THR A 889 8.608 5.938 -2.211 1.00 0.00 O ATOM 852 CB THR A 889 8.001 5.335 -5.404 1.00 0.00 C ATOM 853 OG1 THR A 889 8.172 6.687 -5.765 1.00 0.00 O ATOM 854 CG2 THR A 889 6.600 5.133 -4.834 1.00 0.00 C ATOM 0 H THR A 889 8.922 2.871 -4.406 1.00 0.00 H new ATOM 0 HA THR A 889 9.850 5.682 -4.378 1.00 0.00 H new ATOM 0 HB THR A 889 8.129 4.705 -6.284 1.00 0.00 H new ATOM 0 HG21 THR A 889 5.859 5.404 -5.586 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.468 4.088 -4.555 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.471 5.763 -3.954 1.00 0.00 H new ATOM 862 N HIS A 890 7.694 3.918 -2.607 1.00 0.00 N ATOM 863 CA HIS A 890 7.058 3.826 -1.308 1.00 0.00 C ATOM 864 C HIS A 890 7.466 2.531 -0.620 1.00 0.00 C ATOM 865 O HIS A 890 7.905 1.589 -1.275 1.00 0.00 O ATOM 866 CB HIS A 890 5.543 3.893 -1.479 1.00 0.00 C ATOM 867 CG HIS A 890 5.030 5.304 -1.558 1.00 0.00 C ATOM 868 ND1 HIS A 890 4.938 6.072 -2.697 1.00 0.00 N ATOM 869 CD2 HIS A 890 4.570 6.056 -0.511 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.431 7.264 -2.336 1.00 0.00 C ATOM 871 NE2 HIS A 890 4.191 7.304 -1.015 1.00 0.00 N ATOM 0 HA HIS A 890 7.379 4.660 -0.684 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.260 3.356 -2.384 1.00 0.00 H new ATOM 0 HB3 HIS A 890 5.064 3.383 -0.643 1.00 0.00 H new ATOM 0 HD2 HIS A 890 4.510 5.742 0.520 1.00 0.00 H new ATOM 0 HE1 HIS A 890 4.242 8.080 -3.017 1.00 0.00 H new ATOM 0 HE2 HIS A 890 3.809 8.088 -0.486 1.00 0.00 H new ATOM 879 N VAL A 891 7.320 2.487 0.707 1.00 0.00 N ATOM 880 CA VAL A 891 7.673 1.311 1.476 1.00 0.00 C ATOM 881 C VAL A 891 6.770 1.206 2.697 1.00 0.00 C ATOM 882 O VAL A 891 6.478 2.209 3.344 1.00 0.00 O ATOM 883 CB VAL A 891 9.138 1.397 1.892 1.00 0.00 C ATOM 884 CG1 VAL A 891 10.028 1.156 0.676 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.424 2.783 2.464 1.00 0.00 C ATOM 0 H VAL A 891 6.957 3.260 1.265 1.00 0.00 H new ATOM 0 HA VAL A 891 7.535 0.417 0.868 1.00 0.00 H new ATOM 0 HB VAL A 891 9.345 0.641 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.075 1.218 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.825 0.166 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.821 1.912 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.471 2.845 2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.217 3.539 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.789 2.956 3.333 1.00 0.00 H new ATOM 895 N LEU A 892 6.330 -0.015 3.013 1.00 0.00 N ATOM 896 CA LEU A 892 5.465 -0.245 4.153 1.00 0.00 C ATOM 897 C LEU A 892 6.306 -0.523 5.391 1.00 0.00 C ATOM 898 O LEU A 892 7.103 -1.458 5.406 1.00 0.00 O ATOM 899 CB LEU A 892 4.536 -1.419 3.856 1.00 0.00 C ATOM 900 CG LEU A 892 3.117 -1.067 4.296 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.255 -0.796 3.067 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.526 -2.232 5.085 1.00 0.00 C ATOM 0 H LEU A 892 6.565 -0.857 2.487 1.00 0.00 H new ATOM 0 HA LEU A 892 4.860 0.642 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.552 -1.649 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.880 -2.311 4.380 1.00 0.00 H new ATOM 0 HG LEU A 892 3.142 -0.177 4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.242 -0.545 3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.677 0.036 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.229 -1.685 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.513 -1.982 5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.501 -3.122 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.141 -2.426 5.964 1.00 0.00 H new ATOM 914 N GLY A 893 6.126 0.293 6.433 1.00 0.00 N ATOM 915 CA GLY A 893 6.869 0.127 7.666 1.00 0.00 C ATOM 916 C GLY A 893 8.361 0.047 7.376 1.00 0.00 C ATOM 917 O GLY A 893 8.827 -0.910 6.762 1.00 0.00 O ATOM 0 H GLY A 893 5.469 1.073 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.666 0.962 8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.542 -0.779 8.177 1.00 0.00 H new ATOM 921 N SER A 894 9.112 1.058 7.819 1.00 0.00 N ATOM 922 CA SER A 894 10.544 1.097 7.606 1.00 0.00 C ATOM 923 C SER A 894 10.845 1.635 6.215 1.00 0.00 C ATOM 924 O SER A 894 9.961 1.688 5.362 1.00 0.00 O ATOM 925 CB SER A 894 11.121 -0.305 7.780 1.00 0.00 C ATOM 926 OG SER A 894 10.961 -0.716 9.120 1.00 0.00 O ATOM 0 H SER A 894 8.741 1.860 8.329 1.00 0.00 H new ATOM 0 HA SER A 894 11.006 1.760 8.337 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.617 -1.003 7.112 1.00 0.00 H new ATOM 0 HB3 SER A 894 12.177 -0.311 7.510 1.00 0.00 H new ATOM 0 HG SER A 894 11.330 -1.617 9.232 1.00 0.00 H new ATOM 932 N ARG A 895 12.099 2.033 5.986 1.00 0.00 N ATOM 933 CA ARG A 895 12.510 2.564 4.702 1.00 0.00 C ATOM 934 C ARG A 895 13.907 2.065 4.361 1.00 0.00 C ATOM 935 O ARG A 895 14.227 1.861 3.192 1.00 0.00 O ATOM 936 CB ARG A 895 12.478 4.089 4.749 1.00 0.00 C ATOM 937 CG ARG A 895 13.248 4.577 5.973 1.00 0.00 C ATOM 938 CD ARG A 895 13.486 6.080 5.859 1.00 0.00 C ATOM 939 NE ARG A 895 13.114 6.766 7.096 1.00 0.00 N ATOM 940 CZ ARG A 895 13.940 6.867 8.146 1.00 0.00 C ATOM 941 NH1 ARG A 895 15.165 6.327 8.090 1.00 0.00 N ATOM 942 NH2 ARG A 895 13.541 7.507 9.254 1.00 0.00 N ATOM 0 H ARG A 895 12.844 1.994 6.682 1.00 0.00 H new ATOM 0 HA ARG A 895 11.824 2.223 3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.919 4.501 3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.447 4.441 4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.687 4.355 6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 895 14.200 4.052 6.050 1.00 0.00 H new ATOM 0 HD2 ARG A 895 14.536 6.269 5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 895 12.906 6.481 5.028 1.00 0.00 H new ATOM 0 HE ARG A 895 12.186 7.185 7.162 1.00 0.00 H new ATOM 0 HH11 ARG A 895 15.469 5.839 7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 895 15.793 6.404 8.890 1.00 0.00 H new ATOM 0 HH21 ARG A 895 12.608 7.917 9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 895 14.170 7.584 10.053 1.00 0.00 H new ATOM 956 N ASP A 896 14.739 1.869 5.386 1.00 0.00 N ATOM 957 CA ASP A 896 16.095 1.397 5.190 1.00 0.00 C ATOM 958 C ASP A 896 16.260 0.881 3.768 1.00 0.00 C ATOM 959 O ASP A 896 16.823 1.567 2.919 1.00 0.00 O ATOM 960 CB ASP A 896 16.401 0.297 6.204 1.00 0.00 C ATOM 961 CG ASP A 896 17.516 -0.610 5.702 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.675 -0.142 5.709 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.187 -1.754 5.320 1.00 0.00 O ATOM 0 H ASP A 896 14.488 2.033 6.361 1.00 0.00 H new ATOM 0 HA ASP A 896 16.796 2.218 5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.691 0.744 7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.503 -0.292 6.389 1.00 0.00 H new ATOM 968 N LYS A 897 15.767 -0.333 3.510 1.00 0.00 N ATOM 969 CA LYS A 897 15.864 -0.931 2.194 1.00 0.00 C ATOM 970 C LYS A 897 15.825 0.154 1.127 1.00 0.00 C ATOM 971 O LYS A 897 16.460 0.024 0.083 1.00 0.00 O ATOM 972 CB LYS A 897 14.717 -1.920 2.000 1.00 0.00 C ATOM 973 CG LYS A 897 13.753 -1.817 3.178 1.00 0.00 C ATOM 974 CD LYS A 897 12.819 -0.628 2.969 1.00 0.00 C ATOM 975 CE LYS A 897 12.155 -0.264 4.294 1.00 0.00 C ATOM 976 NZ LYS A 897 10.785 0.226 4.081 1.00 0.00 N ATOM 0 H LYS A 897 15.297 -0.915 4.203 1.00 0.00 H new ATOM 0 HA LYS A 897 16.809 -1.466 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.193 -1.708 1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 897 15.107 -2.935 1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.174 -2.736 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.309 -1.697 4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.379 0.225 2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 897 12.061 -0.874 2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.135 -1.137 4.947 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.743 0.500 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.213 0.037 4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.807 1.250 3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.365 -0.262 3.264 1.00 0.00 H new ATOM 990 N ASN A 898 15.076 1.227 1.392 1.00 0.00 N ATOM 991 CA ASN A 898 14.960 2.327 0.455 1.00 0.00 C ATOM 992 C ASN A 898 14.501 3.582 1.183 1.00 0.00 C ATOM 993 O ASN A 898 13.309 3.766 1.418 1.00 0.00 O ATOM 994 CB ASN A 898 13.975 1.951 -0.648 1.00 0.00 C ATOM 995 CG ASN A 898 14.620 2.086 -2.020 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.765 1.684 -2.212 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.879 2.651 -2.976 1.00 0.00 N ATOM 0 H ASN A 898 14.543 1.350 2.253 1.00 0.00 H new ATOM 0 HA ASN A 898 15.932 2.529 0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.632 0.927 -0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 898 13.096 2.592 -0.590 1.00 0.00 H new ATOM 0 HD21 ASN A 898 14.259 2.765 -3.916 1.00 0.00 H new ATOM 0 HD22 ASN A 898 12.933 2.969 -2.767 1.00 0.00 H new ATOM 1004 N PRO A 899 15.452 4.448 1.541 1.00 0.00 N ATOM 1005 CA PRO A 899 15.204 5.692 2.236 1.00 0.00 C ATOM 1006 C PRO A 899 14.556 6.688 1.285 1.00 0.00 C ATOM 1007 O PRO A 899 14.054 7.724 1.715 1.00 0.00 O ATOM 1008 CB PRO A 899 16.583 6.175 2.679 1.00 0.00 C ATOM 1009 CG PRO A 899 17.502 5.614 1.595 1.00 0.00 C ATOM 1010 CD PRO A 899 16.864 4.263 1.281 1.00 0.00 C ATOM 0 HA PRO A 899 14.529 5.577 3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.634 7.263 2.729 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.846 5.798 3.667 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.535 6.260 0.718 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.527 5.505 1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 899 17.040 3.974 0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 899 17.281 3.474 1.907 1.00 0.00 H new ATOM 1018 N ALA A 900 14.570 6.372 -0.013 1.00 0.00 N ATOM 1019 CA ALA A 900 13.988 7.240 -1.017 1.00 0.00 C ATOM 1020 C ALA A 900 12.512 6.912 -1.188 1.00 0.00 C ATOM 1021 O ALA A 900 11.823 7.544 -1.986 1.00 0.00 O ATOM 1022 CB ALA A 900 14.738 7.065 -2.334 1.00 0.00 C ATOM 0 H ALA A 900 14.982 5.516 -0.385 1.00 0.00 H new ATOM 0 HA ALA A 900 14.074 8.280 -0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 900 14.302 7.717 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.787 7.325 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.662 6.028 -2.661 1.00 0.00 H new ATOM 1028 N ALA A 901 12.028 5.920 -0.437 1.00 0.00 N ATOM 1029 CA ALA A 901 10.639 5.513 -0.510 1.00 0.00 C ATOM 1030 C ALA A 901 9.846 6.185 0.601 1.00 0.00 C ATOM 1031 O ALA A 901 10.273 7.201 1.144 1.00 0.00 O ATOM 1032 CB ALA A 901 10.549 3.994 -0.397 1.00 0.00 C ATOM 0 H ALA A 901 12.587 5.387 0.229 1.00 0.00 H new ATOM 0 HA ALA A 901 10.216 5.819 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.505 3.686 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 901 11.106 3.535 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 901 10.972 3.674 0.555 1.00 0.00 H new ATOM 1038 N GLN A 902 8.686 5.615 0.938 1.00 0.00 N ATOM 1039 CA GLN A 902 7.841 6.162 1.980 1.00 0.00 C ATOM 1040 C GLN A 902 7.526 5.085 3.008 1.00 0.00 C ATOM 1041 O GLN A 902 7.172 3.964 2.648 1.00 0.00 O ATOM 1042 CB GLN A 902 6.558 6.707 1.358 1.00 0.00 C ATOM 1043 CG GLN A 902 6.753 8.176 0.993 1.00 0.00 C ATOM 1044 CD GLN A 902 7.198 8.982 2.205 1.00 0.00 C ATOM 1045 OE1 GLN A 902 8.055 9.855 2.091 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.613 8.686 3.368 1.00 0.00 N ATOM 0 H GLN A 902 8.318 4.772 0.497 1.00 0.00 H new ATOM 0 HA GLN A 902 8.360 6.977 2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 902 6.299 6.132 0.469 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.729 6.602 2.058 1.00 0.00 H new ATOM 0 HG2 GLN A 902 7.497 8.262 0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.821 8.584 0.602 1.00 0.00 H new ATOM 0 HE21 GLN A 902 5.906 7.952 3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 902 6.873 9.194 4.213 1.00 0.00 H new ATOM 1055 N GLN A 903 7.654 5.427 4.292 1.00 0.00 N ATOM 1056 CA GLN A 903 7.384 4.490 5.364 1.00 0.00 C ATOM 1057 C GLN A 903 5.921 4.583 5.774 1.00 0.00 C ATOM 1058 O GLN A 903 5.611 5.014 6.883 1.00 0.00 O ATOM 1059 CB GLN A 903 8.298 4.795 6.547 1.00 0.00 C ATOM 1060 CG GLN A 903 9.755 4.712 6.100 1.00 0.00 C ATOM 1061 CD GLN A 903 10.379 6.098 6.024 1.00 0.00 C ATOM 1062 OE1 GLN A 903 10.711 6.689 7.049 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.537 6.617 4.804 1.00 0.00 N ATOM 0 H GLN A 903 7.945 6.353 4.607 1.00 0.00 H new ATOM 0 HA GLN A 903 7.581 3.474 5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 903 8.083 5.789 6.939 1.00 0.00 H new ATOM 0 HB3 GLN A 903 8.114 4.087 7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 903 10.319 4.093 6.797 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.814 4.228 5.125 1.00 0.00 H new ATOM 0 HE21 GLN A 903 10.245 6.087 3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 903 10.949 7.543 4.693 1.00 0.00 H new ATOM 1072 N VAL A 904 5.021 4.176 4.876 1.00 0.00 N ATOM 1073 CA VAL A 904 3.598 4.214 5.148 1.00 0.00 C ATOM 1074 C VAL A 904 3.190 2.973 5.930 1.00 0.00 C ATOM 1075 O VAL A 904 4.010 2.089 6.166 1.00 0.00 O ATOM 1076 CB VAL A 904 2.831 4.300 3.832 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.788 4.694 2.710 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.209 2.943 3.516 1.00 0.00 C ATOM 0 H VAL A 904 5.263 3.816 3.953 1.00 0.00 H new ATOM 0 HA VAL A 904 3.362 5.092 5.749 1.00 0.00 H new ATOM 0 HB VAL A 904 2.044 5.049 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.240 4.756 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.233 5.663 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.575 3.945 2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.661 3.004 2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 904 2.996 2.193 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.525 2.661 4.317 1.00 0.00 H new ATOM 1088 N SER A 905 1.918 2.910 6.332 1.00 0.00 N ATOM 1089 CA SER A 905 1.410 1.780 7.083 1.00 0.00 C ATOM 1090 C SER A 905 0.123 1.274 6.447 1.00 0.00 C ATOM 1091 O SER A 905 -0.245 1.706 5.357 1.00 0.00 O ATOM 1092 CB SER A 905 1.170 2.198 8.531 1.00 0.00 C ATOM 1093 OG SER A 905 -0.192 2.519 8.706 1.00 0.00 O ATOM 0 H SER A 905 1.226 3.636 6.145 1.00 0.00 H new ATOM 0 HA SER A 905 2.141 0.971 7.069 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.454 1.391 9.206 1.00 0.00 H new ATOM 0 HB3 SER A 905 1.793 3.057 8.781 1.00 0.00 H new ATOM 0 HG SER A 905 -0.439 2.397 9.647 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.562 0.356 7.132 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.805 -0.236 6.686 1.00 0.00 C ATOM 1101 C PRO A 906 -2.926 0.787 6.798 1.00 0.00 C ATOM 1102 O PRO A 906 -3.891 0.739 6.038 1.00 0.00 O ATOM 1103 CB PRO A 906 -2.040 -1.412 7.631 1.00 0.00 C ATOM 1104 CG PRO A 906 -1.374 -0.945 8.925 1.00 0.00 C ATOM 1105 CD PRO A 906 -0.158 -0.175 8.416 1.00 0.00 C ATOM 0 HA PRO A 906 -1.772 -0.559 5.646 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -3.102 -1.612 7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -1.591 -2.330 7.253 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -2.036 -0.312 9.516 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -1.086 -1.784 9.558 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.120 0.624 9.104 1.00 0.00 H new ATOM 0 HD3 PRO A 906 0.710 -0.827 8.318 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.799 1.713 7.751 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.802 2.739 7.955 1.00 0.00 C ATOM 1115 C GLU A 907 -3.785 3.721 6.792 1.00 0.00 C ATOM 1116 O GLU A 907 -4.819 4.281 6.434 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.531 3.458 9.273 1.00 0.00 C ATOM 1118 CG GLU A 907 -3.780 2.502 10.435 1.00 0.00 C ATOM 1119 CD GLU A 907 -2.556 2.409 11.335 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -1.826 3.422 11.406 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -2.373 1.328 11.935 1.00 0.00 O ATOM 0 H GLU A 907 -2.006 1.766 8.391 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.790 2.281 8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.502 3.818 9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -4.177 4.332 9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -4.637 2.844 11.015 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -4.029 1.513 10.050 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.607 3.928 6.200 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.467 4.838 5.081 1.00 0.00 C ATOM 1130 C TRP A 908 -3.195 4.282 3.866 1.00 0.00 C ATOM 1131 O TRP A 908 -3.905 5.011 3.177 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.986 5.044 4.777 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.701 5.878 3.568 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.641 7.227 3.548 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.436 5.446 2.199 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.359 7.657 2.268 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.223 6.597 1.394 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.354 4.199 1.554 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 0.056 6.518 0.027 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 -0.075 4.108 0.183 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.130 5.262 -0.582 1.00 0.00 C ATOM 0 H TRP A 908 -1.739 3.473 6.484 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.911 5.801 5.334 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.514 5.511 5.642 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.518 4.068 4.646 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.791 7.870 4.403 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.263 8.637 2.000 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.509 3.295 2.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.213 7.416 -0.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 -0.018 3.138 -0.288 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.344 5.182 -1.638 1.00 0.00 H new ATOM 1152 N ILE A 909 -3.017 2.985 3.605 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.656 2.335 2.478 1.00 0.00 C ATOM 1154 C ILE A 909 -5.165 2.513 2.570 1.00 0.00 C ATOM 1155 O ILE A 909 -5.796 2.971 1.620 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.285 0.855 2.468 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -2.036 0.648 1.616 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.439 0.045 1.883 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -0.976 -0.081 2.436 1.00 0.00 C ATOM 0 H ILE A 909 -2.431 2.368 4.167 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.312 2.788 1.548 1.00 0.00 H new ATOM 0 HB ILE A 909 -3.088 0.524 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.282 0.071 0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.651 1.610 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.174 -1.012 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.331 0.191 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.636 0.377 0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.084 -0.229 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.722 0.514 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.364 -1.049 2.753 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.744 2.150 3.716 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.173 2.275 3.921 1.00 0.00 C ATOM 1173 C TRP A 910 -7.595 3.728 3.755 1.00 0.00 C ATOM 1174 O TRP A 910 -8.440 4.041 2.918 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.534 1.762 5.312 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.911 0.455 5.682 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -6.178 0.226 6.793 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -6.950 -0.815 4.962 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.763 -1.089 6.810 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.211 -1.778 5.702 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.533 -1.252 3.759 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -6.059 -3.099 5.274 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.386 -2.576 3.320 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -6.652 -3.500 4.073 1.00 0.00 C ATOM 0 H TRP A 910 -5.236 1.767 4.513 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.703 1.678 3.179 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -7.238 2.510 6.047 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.618 1.663 5.377 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.952 0.960 7.552 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.195 -1.501 7.550 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -8.104 -0.556 3.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.490 -3.802 5.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -7.844 -2.886 2.392 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -6.544 -4.518 3.728 1.00 0.00 H new ATOM 1195 N ALA A 911 -7.004 4.617 4.556 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.321 6.030 4.496 1.00 0.00 C ATOM 1197 C ALA A 911 -7.076 6.554 3.088 1.00 0.00 C ATOM 1198 O ALA A 911 -7.773 7.456 2.630 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.467 6.785 5.511 1.00 0.00 C ATOM 0 H ALA A 911 -6.301 4.374 5.254 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.372 6.182 4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.704 7.848 5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.674 6.408 6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.412 6.639 5.279 1.00 0.00 H new ATOM 1205 N CYS A 912 -6.081 5.985 2.404 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.746 6.391 1.054 1.00 0.00 C ATOM 1207 C CYS A 912 -6.836 5.931 0.097 1.00 0.00 C ATOM 1208 O CYS A 912 -7.654 6.734 -0.346 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.395 5.796 0.665 1.00 0.00 C ATOM 1210 SG CYS A 912 -3.099 6.622 1.620 1.00 0.00 S ATOM 0 H CYS A 912 -5.494 5.237 2.774 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.676 7.477 1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.384 4.724 0.862 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.218 5.926 -0.403 1.00 0.00 H new ATOM 0 HG CYS A 912 -1.973 5.992 1.459 1.00 0.00 H new ATOM 1216 N ILE A 913 -6.846 4.634 -0.222 1.00 0.00 N ATOM 1217 CA ILE A 913 -7.834 4.074 -1.122 1.00 0.00 C ATOM 1218 C ILE A 913 -9.211 4.629 -0.784 1.00 0.00 C ATOM 1219 O ILE A 913 -9.978 4.979 -1.679 1.00 0.00 O ATOM 1220 CB ILE A 913 -7.820 2.553 -1.008 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -8.998 1.973 -1.786 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -7.933 2.151 0.460 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -8.957 0.449 -1.711 1.00 0.00 C ATOM 0 H ILE A 913 -6.173 3.956 0.137 1.00 0.00 H new ATOM 0 HA ILE A 913 -7.595 4.350 -2.149 1.00 0.00 H new ATOM 0 HB ILE A 913 -6.887 2.167 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -9.937 2.343 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -8.956 2.298 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -7.923 1.064 0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -7.092 2.564 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.865 2.537 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -9.798 0.035 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -8.024 0.088 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -9.020 0.134 -0.669 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.523 4.709 0.511 1.00 0.00 N ATOM 1236 CA ARG A 914 -10.803 5.218 0.960 1.00 0.00 C ATOM 1237 C ARG A 914 -10.912 6.701 0.632 1.00 0.00 C ATOM 1238 O ARG A 914 -12.012 7.221 0.458 1.00 0.00 O ATOM 1239 CB ARG A 914 -10.945 4.985 2.461 1.00 0.00 C ATOM 1240 CG ARG A 914 -12.369 5.321 2.896 1.00 0.00 C ATOM 1241 CD ARG A 914 -12.327 6.357 4.016 1.00 0.00 C ATOM 1242 NE ARG A 914 -12.368 5.712 5.329 1.00 0.00 N ATOM 1243 CZ ARG A 914 -12.762 6.350 6.439 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -13.143 7.633 6.375 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -12.776 5.705 7.614 1.00 0.00 N ATOM 0 H ARG A 914 -8.897 4.424 1.264 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.608 4.692 0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -10.715 3.947 2.702 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -10.232 5.604 3.005 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -12.938 5.707 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -12.878 4.420 3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -11.420 6.955 3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -13.170 7.040 3.916 1.00 0.00 H new ATOM 0 HE ARG A 914 -12.084 4.735 5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -13.133 8.124 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -13.443 8.119 7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -12.487 4.728 7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -13.076 6.191 8.459 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.766 7.381 0.547 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.740 8.797 0.241 1.00 0.00 C ATOM 1261 C LYS A 915 -9.651 9.000 -1.265 1.00 0.00 C ATOM 1262 O LYS A 915 -9.824 10.113 -1.755 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.552 9.447 0.945 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.884 9.649 2.420 1.00 0.00 C ATOM 1265 CD LYS A 915 -9.866 10.808 2.568 1.00 0.00 C ATOM 1266 CE LYS A 915 -10.487 10.774 3.961 1.00 0.00 C ATOM 1267 NZ LYS A 915 -11.879 11.248 3.930 1.00 0.00 N ATOM 0 H LYS A 915 -8.846 6.964 0.688 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.658 9.266 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.667 8.819 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.319 10.404 0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.316 8.738 2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -7.974 9.856 2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -9.352 11.756 2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -10.645 10.738 1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -10.454 9.757 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -9.902 11.396 4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -12.278 11.215 4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -11.905 12.226 3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -12.439 10.638 3.301 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.380 7.918 -1.999 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.269 7.981 -3.442 1.00 0.00 C ATOM 1283 C ARG A 916 -8.069 8.833 -3.829 1.00 0.00 C ATOM 1284 O ARG A 916 -7.814 9.048 -5.012 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.554 8.561 -4.025 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.589 7.451 -4.181 1.00 0.00 C ATOM 1287 CD ARG A 916 -12.040 6.979 -2.801 1.00 0.00 C ATOM 1288 NE ARG A 916 -12.682 8.064 -2.059 1.00 0.00 N ATOM 1289 CZ ARG A 916 -13.633 7.850 -1.139 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -14.032 6.600 -0.866 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -14.186 8.886 -0.493 1.00 0.00 N ATOM 0 H ARG A 916 -9.234 6.988 -1.607 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.123 6.978 -3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -10.941 9.344 -3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.351 9.022 -4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -12.444 7.814 -4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -11.163 6.618 -4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -12.735 6.146 -2.907 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -11.181 6.609 -2.241 1.00 0.00 H new ATOM 0 HE ARG A 916 -12.394 9.024 -2.250 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -13.612 5.812 -1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -14.756 6.437 -0.166 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -13.883 9.837 -0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -14.910 8.723 0.207 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.330 9.317 -2.828 1.00 0.00 N ATOM 1306 CA ARG A 917 -6.163 10.142 -3.068 1.00 0.00 C ATOM 1307 C ARG A 917 -5.127 9.898 -1.981 1.00 0.00 C ATOM 1308 O ARG A 917 -5.388 10.144 -0.805 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.577 11.611 -3.100 1.00 0.00 C ATOM 1310 CG ARG A 917 -7.953 11.765 -2.458 1.00 0.00 C ATOM 1311 CD ARG A 917 -9.032 11.626 -3.528 1.00 0.00 C ATOM 1312 NE ARG A 917 -10.292 12.223 -3.084 1.00 0.00 N ATOM 1313 CZ ARG A 917 -11.333 12.416 -3.906 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -11.246 12.056 -5.193 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -12.461 12.969 -3.439 1.00 0.00 N ATOM 0 H ARG A 917 -7.528 9.146 -1.842 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.720 9.882 -4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -5.845 12.218 -2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -6.601 11.971 -4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -8.092 11.009 -1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -8.032 12.737 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -8.701 12.109 -4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -9.186 10.572 -3.759 1.00 0.00 H new ATOM 0 HE ARG A 917 -10.382 12.504 -2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -10.387 11.635 -5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -12.038 12.203 -5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -12.527 13.243 -2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -13.254 13.116 -4.064 1.00 0.00 H new ATOM 1329 N LEU A 918 -3.947 9.412 -2.376 1.00 0.00 N ATOM 1330 CA LEU A 918 -2.879 9.138 -1.436 1.00 0.00 C ATOM 1331 C LEU A 918 -2.854 10.209 -0.355 1.00 0.00 C ATOM 1332 O LEU A 918 -2.741 11.395 -0.656 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.548 9.090 -2.179 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.381 7.722 -2.835 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -2.473 6.781 -2.336 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -1.489 7.868 -4.350 1.00 0.00 C ATOM 0 H LEU A 918 -3.716 9.202 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 918 -3.049 8.173 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.513 9.874 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.726 9.276 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.404 7.313 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -2.354 5.804 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -2.396 6.676 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -3.450 7.189 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -1.370 6.891 -4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -2.466 8.277 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -0.709 8.540 -4.707 1.00 0.00 H new ATOM 1348 N VAL A 919 -2.961 9.788 0.908 1.00 0.00 N ATOM 1349 CA VAL A 919 -2.950 10.710 2.025 1.00 0.00 C ATOM 1350 C VAL A 919 -1.550 10.787 2.616 1.00 0.00 C ATOM 1351 O VAL A 919 -0.582 10.379 1.978 1.00 0.00 O ATOM 1352 CB VAL A 919 -3.956 10.247 3.075 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -5.072 9.458 2.398 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.252 9.358 4.096 1.00 0.00 C ATOM 0 H VAL A 919 -3.056 8.808 1.174 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.234 11.705 1.683 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.380 11.115 3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.790 9.127 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.575 10.092 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.649 8.590 1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -3.970 9.027 4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.828 8.490 3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.455 9.921 4.581 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.444 11.311 3.839 1.00 0.00 N ATOM 1365 CA ALA A 920 -0.165 11.438 4.508 1.00 0.00 C ATOM 1366 C ALA A 920 0.360 10.060 4.884 1.00 0.00 C ATOM 1367 O ALA A 920 -0.207 9.390 5.744 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.326 12.312 5.749 1.00 0.00 C ATOM 0 H ALA A 920 -2.237 11.653 4.381 1.00 0.00 H new ATOM 0 HA ALA A 920 0.555 11.909 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.635 12.408 6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.682 13.299 5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -1.046 11.853 6.426 1.00 0.00 H new ATOM 1374 N PRO A 921 1.448 9.637 4.235 1.00 0.00 N ATOM 1375 CA PRO A 921 2.086 8.358 4.461 1.00 0.00 C ATOM 1376 C PRO A 921 2.806 8.376 5.802 1.00 0.00 C ATOM 1377 O PRO A 921 3.567 9.298 6.087 1.00 0.00 O ATOM 1378 CB PRO A 921 3.077 8.206 3.309 1.00 0.00 C ATOM 1379 CG PRO A 921 3.455 9.654 2.995 1.00 0.00 C ATOM 1380 CD PRO A 921 2.140 10.398 3.218 1.00 0.00 C ATOM 0 HA PRO A 921 1.378 7.530 4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 921 3.946 7.615 3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.626 7.710 2.450 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.244 10.019 3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 921 3.816 9.766 1.973 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.317 11.423 3.544 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.556 10.452 2.299 1.00 0.00 H new ATOM 1388 N CYS A 922 2.562 7.354 6.625 1.00 0.00 N ATOM 1389 CA CYS A 922 3.183 7.252 7.930 1.00 0.00 C ATOM 1390 C CYS A 922 2.311 7.950 8.965 1.00 0.00 C ATOM 1391 O CYS A 922 1.911 7.338 9.953 1.00 0.00 O ATOM 1392 CB CYS A 922 4.574 7.879 7.881 1.00 0.00 C ATOM 1393 SG CYS A 922 5.549 7.238 9.265 1.00 0.00 S ATOM 0 H CYS A 922 1.932 6.584 6.400 1.00 0.00 H new ATOM 0 HA CYS A 922 3.283 6.204 8.212 1.00 0.00 H new ATOM 0 HB2 CYS A 922 5.061 7.644 6.935 1.00 0.00 H new ATOM 0 HB3 CYS A 922 4.501 8.965 7.941 1.00 0.00 H new ATOM 0 HG CYS A 922 6.001 6.056 8.967 1.00 0.00 H new TER 1399 CYS A 922