USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 651 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 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 11 ASN : amide:sc= 1.03 K(o=2.2,f=-1.6) USER MOD Set 2.2: A 70 TYR OH : rot -11:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 179:sc= -0.0262 (180deg=-0.0262) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.248 X(o=0.25,f=0) USER MOD Single : A 32 TYR OH : rot 141:sc= 1.22 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 50 MET CE :methyl 147:sc= -0.703 (180deg=-1.96!) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0.364 (180deg=0.295) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -145:sc= 0 (180deg=-0.00516) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.337 K(o=-0.34,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.287 9.005 -0.749 1.00 54.42 N ATOM 2 CA GLY A 1 -18.698 7.742 -1.367 1.00 42.11 C ATOM 3 C GLY A 1 -17.562 6.739 -1.359 1.00 4.22 C ATOM 4 O GLY A 1 -16.585 6.944 -2.074 1.00 41.20 O ATOM 0 H1 GLY A 1 -19.082 9.675 -0.767 1.00 54.42 H new ATOM 0 H2 GLY A 1 -18.001 8.833 0.236 1.00 54.42 H new ATOM 0 H3 GLY A 1 -17.485 9.405 -1.277 1.00 54.42 H new ATOM 0 HA2 GLY A 1 -19.554 7.332 -0.831 1.00 42.11 H new ATOM 0 HA3 GLY A 1 -19.021 7.923 -2.392 1.00 42.11 H new ATOM 8 N MET A 2 -17.647 5.663 -0.566 1.00 5.55 N ATOM 9 CA MET A 2 -16.755 4.483 -0.554 1.00 63.34 C ATOM 10 C MET A 2 -15.281 4.737 -0.178 1.00 72.13 C ATOM 11 O MET A 2 -14.536 3.796 0.091 1.00 33.25 O ATOM 12 CB MET A 2 -16.843 3.728 -1.897 1.00 34.32 C ATOM 13 CG MET A 2 -18.186 3.021 -2.102 1.00 64.43 C ATOM 14 SD MET A 2 -18.343 2.239 -3.732 1.00 12.24 S ATOM 15 CE MET A 2 -19.864 1.292 -3.452 1.00 42.12 C ATOM 0 H MET A 2 -18.387 5.583 0.132 1.00 5.55 H new ATOM 0 HA MET A 2 -17.136 3.873 0.265 1.00 63.34 H new ATOM 0 HB2 MET A 2 -16.681 4.431 -2.714 1.00 34.32 H new ATOM 0 HB3 MET A 2 -16.040 2.992 -1.946 1.00 34.32 H new ATOM 0 HG2 MET A 2 -18.311 2.263 -1.329 1.00 64.43 H new ATOM 0 HG3 MET A 2 -18.992 3.743 -1.974 1.00 64.43 H new ATOM 0 HE1 MET A 2 -20.120 0.740 -4.356 1.00 42.12 H new ATOM 0 HE2 MET A 2 -19.711 0.592 -2.631 1.00 42.12 H new ATOM 0 HE3 MET A 2 -20.676 1.974 -3.201 1.00 42.12 H new ATOM 25 N GLN A 3 -14.839 5.993 -0.105 1.00 64.41 N ATOM 26 CA GLN A 3 -13.451 6.450 0.029 1.00 73.31 C ATOM 27 C GLN A 3 -12.756 6.053 1.348 1.00 64.31 C ATOM 28 O GLN A 3 -11.655 6.537 1.604 1.00 22.15 O ATOM 29 CB GLN A 3 -13.444 7.984 -0.153 1.00 13.21 C ATOM 30 CG GLN A 3 -12.175 8.517 -0.841 1.00 22.33 C ATOM 31 CD GLN A 3 -12.259 10.024 -1.079 1.00 3.44 C ATOM 32 OE1 GLN A 3 -12.249 10.816 -0.149 1.00 44.44 O ATOM 33 NE2 GLN A 3 -12.401 10.484 -2.313 1.00 4.11 N ATOM 0 H GLN A 3 -15.489 6.778 -0.140 1.00 64.41 H new ATOM 0 HA GLN A 3 -12.867 5.945 -0.740 1.00 73.31 H new ATOM 0 HB2 GLN A 3 -14.315 8.276 -0.740 1.00 13.21 H new ATOM 0 HB3 GLN A 3 -13.544 8.458 0.824 1.00 13.21 H new ATOM 0 HG2 GLN A 3 -11.304 8.293 -0.225 1.00 22.33 H new ATOM 0 HG3 GLN A 3 -12.033 8.005 -1.792 1.00 22.33 H new ATOM 0 HE21 GLN A 3 -12.411 9.836 -3.101 1.00 4.11 H new ATOM 0 HE22 GLN A 3 -12.500 11.486 -2.475 1.00 4.11 H new ATOM 42 N PHE A 4 -13.387 5.207 2.170 1.00 44.23 N ATOM 43 CA PHE A 4 -12.957 4.715 3.481 1.00 32.12 C ATOM 44 C PHE A 4 -12.689 3.221 3.395 1.00 51.43 C ATOM 45 O PHE A 4 -11.576 2.761 3.617 1.00 43.10 O ATOM 46 CB PHE A 4 -14.035 4.998 4.533 1.00 33.03 C ATOM 47 CG PHE A 4 -13.658 6.081 5.520 1.00 41.53 C ATOM 48 CD1 PHE A 4 -13.285 7.346 5.038 1.00 34.12 C ATOM 49 CD2 PHE A 4 -13.619 5.822 6.900 1.00 22.45 C ATOM 50 CE1 PHE A 4 -12.842 8.345 5.917 1.00 70.30 C ATOM 51 CE2 PHE A 4 -13.183 6.825 7.787 1.00 41.23 C ATOM 52 CZ PHE A 4 -12.779 8.081 7.297 1.00 1.52 C ATOM 0 H PHE A 4 -14.292 4.815 1.910 1.00 44.23 H new ATOM 0 HA PHE A 4 -12.043 5.230 3.776 1.00 32.12 H new ATOM 0 HB2 PHE A 4 -14.956 5.286 4.027 1.00 33.03 H new ATOM 0 HB3 PHE A 4 -14.246 4.079 5.080 1.00 33.03 H new ATOM 0 HD1 PHE A 4 -13.340 7.552 3.979 1.00 34.12 H new ATOM 0 HD2 PHE A 4 -13.922 4.857 7.279 1.00 22.45 H new ATOM 0 HE1 PHE A 4 -12.551 9.313 5.536 1.00 70.30 H new ATOM 0 HE2 PHE A 4 -13.158 6.629 8.849 1.00 41.23 H new ATOM 0 HZ PHE A 4 -12.422 8.839 7.978 1.00 1.52 H new ATOM 62 N LYS A 5 -13.690 2.452 2.955 1.00 5.52 N ATOM 63 CA LYS A 5 -13.506 1.037 2.651 1.00 4.41 C ATOM 64 C LYS A 5 -12.280 0.864 1.754 1.00 45.20 C ATOM 65 O LYS A 5 -11.358 0.119 2.085 1.00 61.13 O ATOM 66 CB LYS A 5 -14.771 0.470 2.007 1.00 31.32 C ATOM 67 CG LYS A 5 -15.849 0.172 3.054 1.00 51.21 C ATOM 68 CD LYS A 5 -15.607 -1.125 3.837 1.00 22.05 C ATOM 69 CE LYS A 5 -15.054 -0.889 5.246 1.00 13.45 C ATOM 70 NZ LYS A 5 -14.762 -2.179 5.906 1.00 22.15 N ATOM 0 H LYS A 5 -14.639 2.792 2.802 1.00 5.52 H new ATOM 0 HA LYS A 5 -13.331 0.478 3.571 1.00 4.41 H new ATOM 0 HB2 LYS A 5 -15.158 1.180 1.276 1.00 31.32 H new ATOM 0 HB3 LYS A 5 -14.526 -0.443 1.465 1.00 31.32 H new ATOM 0 HG2 LYS A 5 -15.902 1.005 3.755 1.00 51.21 H new ATOM 0 HG3 LYS A 5 -16.818 0.111 2.558 1.00 51.21 H new ATOM 0 HD2 LYS A 5 -16.544 -1.677 3.910 1.00 22.05 H new ATOM 0 HD3 LYS A 5 -14.910 -1.752 3.281 1.00 22.05 H new ATOM 0 HE2 LYS A 5 -14.147 -0.287 5.192 1.00 13.45 H new ATOM 0 HE3 LYS A 5 -15.776 -0.325 5.837 1.00 13.45 H new ATOM 0 HZ1 LYS A 5 -14.388 -2.004 6.860 1.00 22.15 H new ATOM 0 HZ2 LYS A 5 -15.635 -2.740 5.974 1.00 22.15 H new ATOM 0 HZ3 LYS A 5 -14.057 -2.702 5.349 1.00 22.15 H new ATOM 84 N ALA A 6 -12.241 1.633 0.663 1.00 63.20 N ATOM 85 CA ALA A 6 -11.154 1.641 -0.300 1.00 65.23 C ATOM 86 C ALA A 6 -9.828 2.115 0.301 1.00 50.23 C ATOM 87 O ALA A 6 -8.783 1.735 -0.218 1.00 71.24 O ATOM 88 CB ALA A 6 -11.545 2.541 -1.478 1.00 1.45 C ATOM 0 H ALA A 6 -12.990 2.283 0.425 1.00 63.20 H new ATOM 0 HA ALA A 6 -10.996 0.615 -0.631 1.00 65.23 H new ATOM 0 HB1 ALA A 6 -10.736 2.556 -2.209 1.00 1.45 H new ATOM 0 HB2 ALA A 6 -12.450 2.155 -1.946 1.00 1.45 H new ATOM 0 HB3 ALA A 6 -11.727 3.554 -1.118 1.00 1.45 H new ATOM 94 N GLU A 7 -9.853 2.951 1.343 1.00 71.01 N ATOM 95 CA GLU A 7 -8.698 3.707 1.826 1.00 30.22 C ATOM 96 C GLU A 7 -7.671 2.695 2.343 1.00 30.35 C ATOM 97 O GLU A 7 -6.559 2.564 1.830 1.00 3.50 O ATOM 98 CB GLU A 7 -9.173 4.770 2.878 1.00 34.15 C ATOM 99 CG GLU A 7 -9.080 4.437 4.384 1.00 63.11 C ATOM 100 CD GLU A 7 -10.001 5.249 5.292 1.00 12.21 C ATOM 101 OE1 GLU A 7 -9.795 6.468 5.473 1.00 11.45 O ATOM 102 OE2 GLU A 7 -10.876 4.607 5.924 1.00 45.51 O ATOM 0 H GLU A 7 -10.699 3.124 1.886 1.00 71.01 H new ATOM 0 HA GLU A 7 -8.210 4.286 1.042 1.00 30.22 H new ATOM 0 HB2 GLU A 7 -8.597 5.680 2.707 1.00 34.15 H new ATOM 0 HB3 GLU A 7 -10.214 5.006 2.658 1.00 34.15 H new ATOM 0 HG2 GLU A 7 -9.305 3.379 4.519 1.00 63.11 H new ATOM 0 HG3 GLU A 7 -8.051 4.589 4.710 1.00 63.11 H new ATOM 109 N ALA A 8 -8.101 1.874 3.297 1.00 71.10 N ATOM 110 CA ALA A 8 -7.204 1.032 4.059 1.00 64.42 C ATOM 111 C ALA A 8 -6.893 -0.228 3.262 1.00 23.03 C ATOM 112 O ALA A 8 -5.836 -0.827 3.446 1.00 44.13 O ATOM 113 CB ALA A 8 -7.833 0.705 5.412 1.00 54.51 C ATOM 0 H ALA A 8 -9.082 1.779 3.558 1.00 71.10 H new ATOM 0 HA ALA A 8 -6.265 1.553 4.245 1.00 64.42 H new ATOM 0 HB1 ALA A 8 -7.156 0.071 5.984 1.00 54.51 H new ATOM 0 HB2 ALA A 8 -8.016 1.629 5.961 1.00 54.51 H new ATOM 0 HB3 ALA A 8 -8.777 0.182 5.258 1.00 54.51 H new ATOM 119 N ARG A 9 -7.787 -0.623 2.350 1.00 33.35 N ATOM 120 CA ARG A 9 -7.543 -1.727 1.437 1.00 54.24 C ATOM 121 C ARG A 9 -6.476 -1.331 0.427 1.00 70.11 C ATOM 122 O ARG A 9 -5.590 -2.137 0.154 1.00 13.34 O ATOM 123 CB ARG A 9 -8.857 -2.155 0.760 1.00 10.54 C ATOM 124 CG ARG A 9 -9.093 -3.661 0.853 1.00 25.22 C ATOM 125 CD ARG A 9 -8.113 -4.524 0.065 1.00 2.22 C ATOM 126 NE ARG A 9 -8.564 -5.916 0.141 1.00 71.33 N ATOM 127 CZ ARG A 9 -7.902 -6.985 0.584 1.00 73.33 C ATOM 128 NH1 ARG A 9 -6.607 -6.921 0.880 1.00 3.33 N ATOM 129 NH2 ARG A 9 -8.583 -8.106 0.733 1.00 5.32 N ATOM 0 H ARG A 9 -8.699 -0.181 2.230 1.00 33.35 H new ATOM 0 HA ARG A 9 -7.170 -2.589 1.990 1.00 54.24 H new ATOM 0 HB2 ARG A 9 -9.691 -1.629 1.225 1.00 10.54 H new ATOM 0 HB3 ARG A 9 -8.837 -1.857 -0.288 1.00 10.54 H new ATOM 0 HG2 ARG A 9 -9.049 -3.955 1.902 1.00 25.22 H new ATOM 0 HG3 ARG A 9 -10.103 -3.876 0.504 1.00 25.22 H new ATOM 0 HD2 ARG A 9 -8.067 -4.196 -0.973 1.00 2.22 H new ATOM 0 HD3 ARG A 9 -7.107 -4.427 0.474 1.00 2.22 H new ATOM 0 HE ARG A 9 -9.513 -6.091 -0.190 1.00 71.33 H new ATOM 0 HH11 ARG A 9 -6.101 -6.042 0.769 1.00 3.33 H new ATOM 0 HH12 ARG A 9 -6.119 -7.751 1.218 1.00 3.33 H new ATOM 0 HH21 ARG A 9 -9.578 -8.131 0.511 1.00 5.32 H new ATOM 0 HH22 ARG A 9 -8.114 -8.947 1.070 1.00 5.32 H new ATOM 143 N ARG A 10 -6.525 -0.105 -0.112 1.00 41.23 N ATOM 144 CA ARG A 10 -5.487 0.433 -0.990 1.00 45.51 C ATOM 145 C ARG A 10 -4.157 0.370 -0.250 1.00 45.42 C ATOM 146 O ARG A 10 -3.247 -0.312 -0.717 1.00 24.23 O ATOM 147 CB ARG A 10 -5.872 1.858 -1.451 1.00 2.42 C ATOM 148 CG ARG A 10 -4.897 2.474 -2.478 1.00 51.25 C ATOM 149 CD ARG A 10 -4.506 3.925 -2.165 1.00 40.12 C ATOM 150 NE ARG A 10 -5.665 4.814 -1.950 1.00 61.13 N ATOM 151 CZ ARG A 10 -5.657 6.153 -2.048 1.00 62.05 C ATOM 152 NH1 ARG A 10 -4.649 6.797 -2.626 1.00 31.00 N ATOM 153 NH2 ARG A 10 -6.697 6.851 -1.605 1.00 33.20 N ATOM 0 H ARG A 10 -7.295 0.544 0.053 1.00 41.23 H new ATOM 0 HA ARG A 10 -5.388 -0.158 -1.900 1.00 45.51 H new ATOM 0 HB2 ARG A 10 -6.871 1.830 -1.886 1.00 2.42 H new ATOM 0 HB3 ARG A 10 -5.923 2.509 -0.578 1.00 2.42 H new ATOM 0 HG2 ARG A 10 -3.994 1.865 -2.519 1.00 51.25 H new ATOM 0 HG3 ARG A 10 -5.353 2.435 -3.467 1.00 51.25 H new ATOM 0 HD2 ARG A 10 -3.877 3.939 -1.275 1.00 40.12 H new ATOM 0 HD3 ARG A 10 -3.905 4.316 -2.986 1.00 40.12 H new ATOM 0 HE ARG A 10 -6.551 4.371 -1.705 1.00 61.13 H new ATOM 0 HH11 ARG A 10 -3.860 6.274 -3.006 1.00 31.00 H new ATOM 0 HH12 ARG A 10 -4.664 7.815 -2.690 1.00 31.00 H new ATOM 0 HH21 ARG A 10 -7.496 6.369 -1.193 1.00 33.20 H new ATOM 0 HH22 ARG A 10 -6.696 7.868 -1.677 1.00 33.20 H new ATOM 167 N ASN A 11 -4.063 1.022 0.906 1.00 2.14 N ATOM 168 CA ASN A 11 -2.805 1.124 1.639 1.00 41.25 C ATOM 169 C ASN A 11 -2.284 -0.270 2.031 1.00 30.24 C ATOM 170 O ASN A 11 -1.114 -0.581 1.813 1.00 12.31 O ATOM 171 CB ASN A 11 -2.969 2.092 2.827 1.00 32.43 C ATOM 172 CG ASN A 11 -3.287 3.533 2.397 1.00 72.14 C ATOM 173 OD1 ASN A 11 -3.105 3.899 1.236 1.00 50.44 O ATOM 174 ND2 ASN A 11 -3.839 4.351 3.278 1.00 71.43 N ATOM 0 H ASN A 11 -4.849 1.490 1.357 1.00 2.14 H new ATOM 0 HA ASN A 11 -2.033 1.550 0.998 1.00 41.25 H new ATOM 0 HB2 ASN A 11 -3.767 1.729 3.475 1.00 32.43 H new ATOM 0 HB3 ASN A 11 -2.053 2.090 3.418 1.00 32.43 H new ATOM 0 HD21 ASN A 11 -4.117 5.291 2.997 1.00 71.43 H new ATOM 0 HD22 ASN A 11 -3.987 4.041 4.239 1.00 71.43 H new ATOM 181 N LYS A 12 -3.141 -1.179 2.527 1.00 11.50 N ATOM 182 CA LYS A 12 -2.710 -2.537 2.891 1.00 14.50 C ATOM 183 C LYS A 12 -2.188 -3.291 1.671 1.00 53.41 C ATOM 184 O LYS A 12 -1.131 -3.905 1.756 1.00 61.33 O ATOM 185 CB LYS A 12 -3.836 -3.324 3.592 1.00 65.22 C ATOM 186 CG LYS A 12 -3.286 -4.540 4.361 1.00 3.44 C ATOM 187 CD LYS A 12 -4.403 -5.422 4.935 1.00 64.11 C ATOM 188 CE LYS A 12 -3.841 -6.498 5.881 1.00 1.54 C ATOM 189 NZ LYS A 12 -4.874 -7.477 6.286 1.00 51.50 N ATOM 0 H LYS A 12 -4.132 -0.998 2.684 1.00 11.50 H new ATOM 0 HA LYS A 12 -1.891 -2.440 3.603 1.00 14.50 H new ATOM 0 HB2 LYS A 12 -4.365 -2.666 4.281 1.00 65.22 H new ATOM 0 HB3 LYS A 12 -4.562 -3.660 2.851 1.00 65.22 H new ATOM 0 HG2 LYS A 12 -2.662 -5.136 3.695 1.00 3.44 H new ATOM 0 HG3 LYS A 12 -2.646 -4.194 5.173 1.00 3.44 H new ATOM 0 HD2 LYS A 12 -5.119 -4.801 5.473 1.00 64.11 H new ATOM 0 HD3 LYS A 12 -4.946 -5.900 4.120 1.00 64.11 H new ATOM 0 HE2 LYS A 12 -3.020 -7.020 5.389 1.00 1.54 H new ATOM 0 HE3 LYS A 12 -3.428 -6.020 6.769 1.00 1.54 H new ATOM 0 HZ1 LYS A 12 -4.452 -8.183 6.922 1.00 51.50 H new ATOM 0 HZ2 LYS A 12 -5.646 -6.984 6.779 1.00 51.50 H new ATOM 0 HZ3 LYS A 12 -5.251 -7.953 5.442 1.00 51.50 H new ATOM 203 N LEU A 13 -2.895 -3.241 0.535 1.00 31.45 N ATOM 204 CA LEU A 13 -2.467 -3.932 -0.679 1.00 65.04 C ATOM 205 C LEU A 13 -1.069 -3.486 -1.097 1.00 71.43 C ATOM 206 O LEU A 13 -0.280 -4.331 -1.518 1.00 30.31 O ATOM 207 CB LEU A 13 -3.450 -3.715 -1.841 1.00 21.22 C ATOM 208 CG LEU A 13 -4.720 -4.568 -1.802 1.00 52.10 C ATOM 209 CD1 LEU A 13 -5.669 -4.101 -2.916 1.00 14.34 C ATOM 210 CD2 LEU A 13 -4.391 -6.045 -1.996 1.00 25.35 C ATOM 0 H LEU A 13 -3.770 -2.726 0.435 1.00 31.45 H new ATOM 0 HA LEU A 13 -2.448 -4.997 -0.445 1.00 65.04 H new ATOM 0 HB2 LEU A 13 -3.740 -2.664 -1.856 1.00 21.22 H new ATOM 0 HB3 LEU A 13 -2.928 -3.915 -2.777 1.00 21.22 H new ATOM 0 HG LEU A 13 -5.195 -4.450 -0.828 1.00 52.10 H new ATOM 0 HD11 LEU A 13 -6.577 -4.703 -2.896 1.00 14.34 H new ATOM 0 HD12 LEU A 13 -5.925 -3.053 -2.760 1.00 14.34 H new ATOM 0 HD13 LEU A 13 -5.179 -4.215 -3.883 1.00 14.34 H new ATOM 0 HD21 LEU A 13 -5.310 -6.630 -1.964 1.00 25.35 H new ATOM 0 HD22 LEU A 13 -3.905 -6.186 -2.961 1.00 25.35 H new ATOM 0 HD23 LEU A 13 -3.723 -6.376 -1.201 1.00 25.35 H new ATOM 222 N MET A 14 -0.747 -2.189 -0.997 1.00 62.15 N ATOM 223 CA MET A 14 0.591 -1.718 -1.308 1.00 45.21 C ATOM 224 C MET A 14 1.599 -2.436 -0.419 1.00 30.20 C ATOM 225 O MET A 14 2.566 -3.010 -0.914 1.00 1.54 O ATOM 226 CB MET A 14 0.654 -0.200 -1.125 1.00 4.32 C ATOM 227 CG MET A 14 1.988 0.377 -1.603 1.00 2.54 C ATOM 228 SD MET A 14 2.318 0.124 -3.367 1.00 63.33 S ATOM 229 CE MET A 14 3.859 1.066 -3.470 1.00 72.05 C ATOM 0 H MET A 14 -1.396 -1.459 -0.704 1.00 62.15 H new ATOM 0 HA MET A 14 0.839 -1.940 -2.346 1.00 45.21 H new ATOM 0 HB2 MET A 14 -0.162 0.266 -1.677 1.00 4.32 H new ATOM 0 HB3 MET A 14 0.508 0.045 -0.073 1.00 4.32 H new ATOM 0 HG2 MET A 14 2.005 1.446 -1.391 1.00 2.54 H new ATOM 0 HG3 MET A 14 2.794 -0.075 -1.026 1.00 2.54 H new ATOM 0 HE1 MET A 14 4.245 1.021 -4.488 1.00 72.05 H new ATOM 0 HE2 MET A 14 3.669 2.105 -3.199 1.00 72.05 H new ATOM 0 HE3 MET A 14 4.592 0.640 -2.785 1.00 72.05 H new ATOM 239 N GLY A 15 1.341 -2.465 0.888 1.00 5.11 N ATOM 240 CA GLY A 15 2.196 -3.145 1.840 1.00 62.44 C ATOM 241 C GLY A 15 2.404 -4.628 1.518 1.00 3.34 C ATOM 242 O GLY A 15 3.533 -5.091 1.649 1.00 23.30 O ATOM 0 H GLY A 15 0.529 -2.014 1.310 1.00 5.11 H new ATOM 0 HA2 GLY A 15 3.165 -2.647 1.867 1.00 62.44 H new ATOM 0 HA3 GLY A 15 1.763 -3.054 2.836 1.00 62.44 H new ATOM 246 N LEU A 16 1.375 -5.368 1.076 1.00 52.42 N ATOM 247 CA LEU A 16 1.545 -6.761 0.659 1.00 42.53 C ATOM 248 C LEU A 16 2.500 -6.848 -0.535 1.00 24.03 C ATOM 249 O LEU A 16 3.367 -7.723 -0.554 1.00 61.11 O ATOM 250 CB LEU A 16 0.207 -7.428 0.272 1.00 31.13 C ATOM 251 CG LEU A 16 -0.638 -8.106 1.373 1.00 42.12 C ATOM 252 CD1 LEU A 16 0.175 -8.889 2.411 1.00 42.51 C ATOM 253 CD2 LEU A 16 -1.552 -7.114 2.086 1.00 33.22 C ATOM 0 H LEU A 16 0.419 -5.021 1.000 1.00 52.42 H new ATOM 0 HA LEU A 16 1.958 -7.293 1.516 1.00 42.53 H new ATOM 0 HB2 LEU A 16 -0.416 -6.667 -0.199 1.00 31.13 H new ATOM 0 HB3 LEU A 16 0.422 -8.180 -0.488 1.00 31.13 H new ATOM 0 HG LEU A 16 -1.240 -8.834 0.830 1.00 42.12 H new ATOM 0 HD11 LEU A 16 -0.500 -9.330 3.144 1.00 42.51 H new ATOM 0 HD12 LEU A 16 0.736 -9.679 1.913 1.00 42.51 H new ATOM 0 HD13 LEU A 16 0.867 -8.215 2.915 1.00 42.51 H new ATOM 0 HD21 LEU A 16 -2.127 -7.635 2.852 1.00 33.22 H new ATOM 0 HD22 LEU A 16 -0.950 -6.334 2.552 1.00 33.22 H new ATOM 0 HD23 LEU A 16 -2.233 -6.663 1.364 1.00 33.22 H new ATOM 265 N TRP A 17 2.340 -5.988 -1.549 1.00 34.34 N ATOM 266 CA TRP A 17 3.230 -5.981 -2.706 1.00 44.11 C ATOM 267 C TRP A 17 4.672 -5.767 -2.239 1.00 25.24 C ATOM 268 O TRP A 17 5.531 -6.598 -2.531 1.00 61.34 O ATOM 269 CB TRP A 17 2.790 -4.940 -3.751 1.00 60.35 C ATOM 270 CG TRP A 17 3.742 -4.794 -4.902 1.00 51.11 C ATOM 271 CD1 TRP A 17 3.945 -5.709 -5.875 1.00 44.33 C ATOM 272 CD2 TRP A 17 4.724 -3.740 -5.149 1.00 43.22 C ATOM 273 NE1 TRP A 17 5.011 -5.323 -6.663 1.00 52.51 N ATOM 274 CE2 TRP A 17 5.527 -4.110 -6.266 1.00 71.22 C ATOM 275 CE3 TRP A 17 5.031 -2.512 -4.531 1.00 0.53 C ATOM 276 CZ2 TRP A 17 6.591 -3.318 -6.723 1.00 63.41 C ATOM 277 CZ3 TRP A 17 6.090 -1.701 -4.981 1.00 62.25 C ATOM 278 CH2 TRP A 17 6.873 -2.106 -6.077 1.00 51.52 C ATOM 0 H TRP A 17 1.599 -5.288 -1.587 1.00 34.34 H new ATOM 0 HA TRP A 17 3.175 -6.948 -3.205 1.00 44.11 H new ATOM 0 HB2 TRP A 17 1.809 -5.219 -4.136 1.00 60.35 H new ATOM 0 HB3 TRP A 17 2.677 -3.973 -3.261 1.00 60.35 H new ATOM 0 HD1 TRP A 17 3.361 -6.607 -6.015 1.00 44.33 H new ATOM 0 HE1 TRP A 17 5.372 -5.870 -7.444 1.00 52.51 H new ATOM 0 HE3 TRP A 17 4.438 -2.184 -3.690 1.00 0.53 H new ATOM 0 HZ2 TRP A 17 7.187 -3.639 -7.564 1.00 63.41 H new ATOM 0 HZ3 TRP A 17 6.302 -0.766 -4.484 1.00 62.25 H new ATOM 0 HH2 TRP A 17 7.688 -1.486 -6.420 1.00 51.52 H new ATOM 289 N VAL A 18 4.917 -4.705 -1.470 1.00 44.14 N ATOM 290 CA VAL A 18 6.236 -4.334 -0.969 1.00 4.30 C ATOM 291 C VAL A 18 6.843 -5.489 -0.166 1.00 44.41 C ATOM 292 O VAL A 18 8.003 -5.825 -0.383 1.00 2.44 O ATOM 293 CB VAL A 18 6.120 -3.066 -0.103 1.00 64.12 C ATOM 294 CG1 VAL A 18 7.478 -2.618 0.458 1.00 64.02 C ATOM 295 CG2 VAL A 18 5.465 -1.878 -0.824 1.00 72.22 C ATOM 0 H VAL A 18 4.182 -4.064 -1.172 1.00 44.14 H new ATOM 0 HA VAL A 18 6.896 -4.125 -1.810 1.00 4.30 H new ATOM 0 HB VAL A 18 5.465 -3.363 0.716 1.00 64.12 H new ATOM 0 HG11 VAL A 18 7.344 -1.720 1.062 1.00 64.02 H new ATOM 0 HG12 VAL A 18 7.896 -3.412 1.077 1.00 64.02 H new ATOM 0 HG13 VAL A 18 8.159 -2.403 -0.366 1.00 64.02 H new ATOM 0 HG21 VAL A 18 5.419 -1.023 -0.149 1.00 72.22 H new ATOM 0 HG22 VAL A 18 6.054 -1.616 -1.703 1.00 72.22 H new ATOM 0 HG23 VAL A 18 4.456 -2.151 -1.133 1.00 72.22 H new ATOM 305 N ALA A 19 6.085 -6.101 0.749 1.00 34.11 N ATOM 306 CA ALA A 19 6.569 -7.168 1.612 1.00 23.44 C ATOM 307 C ALA A 19 7.179 -8.300 0.783 1.00 12.53 C ATOM 308 O ALA A 19 8.267 -8.780 1.090 1.00 33.32 O ATOM 309 CB ALA A 19 5.418 -7.680 2.480 1.00 14.52 C ATOM 0 H ALA A 19 5.106 -5.862 0.908 1.00 34.11 H new ATOM 0 HA ALA A 19 7.353 -6.778 2.261 1.00 23.44 H new ATOM 0 HB1 ALA A 19 5.778 -8.479 3.127 1.00 14.52 H new ATOM 0 HB2 ALA A 19 5.032 -6.864 3.091 1.00 14.52 H new ATOM 0 HB3 ALA A 19 4.622 -8.062 1.841 1.00 14.52 H new ATOM 315 N GLU A 20 6.500 -8.690 -0.290 1.00 1.53 N ATOM 316 CA GLU A 20 6.939 -9.724 -1.212 1.00 70.22 C ATOM 317 C GLU A 20 8.187 -9.291 -1.992 1.00 71.13 C ATOM 318 O GLU A 20 9.100 -10.095 -2.183 1.00 23.24 O ATOM 319 CB GLU A 20 5.736 -10.029 -2.104 1.00 74.04 C ATOM 320 CG GLU A 20 6.036 -10.866 -3.348 1.00 43.31 C ATOM 321 CD GLU A 20 4.742 -11.152 -4.112 1.00 33.34 C ATOM 322 OE1 GLU A 20 3.902 -10.226 -4.223 1.00 54.24 O ATOM 323 OE2 GLU A 20 4.536 -12.290 -4.590 1.00 3.32 O ATOM 0 H GLU A 20 5.602 -8.281 -0.548 1.00 1.53 H new ATOM 0 HA GLU A 20 7.253 -10.628 -0.691 1.00 70.22 H new ATOM 0 HB2 GLU A 20 4.987 -10.550 -1.508 1.00 74.04 H new ATOM 0 HB3 GLU A 20 5.292 -9.085 -2.420 1.00 74.04 H new ATOM 0 HG2 GLU A 20 6.738 -10.336 -3.992 1.00 43.31 H new ATOM 0 HG3 GLU A 20 6.512 -11.803 -3.060 1.00 43.31 H new ATOM 330 N VAL A 21 8.284 -8.022 -2.398 1.00 25.32 N ATOM 331 CA VAL A 21 9.511 -7.474 -2.988 1.00 1.33 C ATOM 332 C VAL A 21 10.672 -7.544 -1.968 1.00 74.04 C ATOM 333 O VAL A 21 11.812 -7.789 -2.364 1.00 13.44 O ATOM 334 CB VAL A 21 9.256 -6.054 -3.557 1.00 0.40 C ATOM 335 CG1 VAL A 21 10.526 -5.425 -4.148 1.00 20.41 C ATOM 336 CG2 VAL A 21 8.217 -6.076 -4.689 1.00 61.44 C ATOM 0 H VAL A 21 7.521 -7.349 -2.328 1.00 25.32 H new ATOM 0 HA VAL A 21 9.817 -8.083 -3.839 1.00 1.33 H new ATOM 0 HB VAL A 21 8.901 -5.469 -2.708 1.00 0.40 H new ATOM 0 HG11 VAL A 21 10.295 -4.432 -4.533 1.00 20.41 H new ATOM 0 HG12 VAL A 21 11.287 -5.345 -3.372 1.00 20.41 H new ATOM 0 HG13 VAL A 21 10.899 -6.051 -4.959 1.00 20.41 H new ATOM 0 HG21 VAL A 21 8.064 -5.063 -5.063 1.00 61.44 H new ATOM 0 HG22 VAL A 21 8.575 -6.712 -5.499 1.00 61.44 H new ATOM 0 HG23 VAL A 21 7.274 -6.469 -4.309 1.00 61.44 H new ATOM 346 N LEU A 22 10.398 -7.407 -0.664 1.00 63.43 N ATOM 347 CA LEU A 22 11.349 -7.600 0.442 1.00 54.52 C ATOM 348 C LEU A 22 11.555 -9.084 0.802 1.00 61.43 C ATOM 349 O LEU A 22 12.266 -9.391 1.761 1.00 72.34 O ATOM 350 CB LEU A 22 10.878 -6.794 1.678 1.00 11.41 C ATOM 351 CG LEU A 22 11.419 -5.354 1.736 1.00 33.23 C ATOM 352 CD1 LEU A 22 10.984 -4.497 0.550 1.00 53.11 C ATOM 353 CD2 LEU A 22 10.935 -4.653 3.010 1.00 5.20 C ATOM 0 H LEU A 22 9.468 -7.147 -0.335 1.00 63.43 H new ATOM 0 HA LEU A 22 12.319 -7.230 0.110 1.00 54.52 H new ATOM 0 HB2 LEU A 22 9.789 -6.761 1.683 1.00 11.41 H new ATOM 0 HB3 LEU A 22 11.185 -7.322 2.581 1.00 11.41 H new ATOM 0 HG LEU A 22 12.505 -5.449 1.717 1.00 33.23 H new ATOM 0 HD11 LEU A 22 11.400 -3.495 0.653 1.00 53.11 H new ATOM 0 HD12 LEU A 22 11.345 -4.946 -0.375 1.00 53.11 H new ATOM 0 HD13 LEU A 22 9.896 -4.438 0.524 1.00 53.11 H new ATOM 0 HD21 LEU A 22 11.326 -3.636 3.036 1.00 5.20 H new ATOM 0 HD22 LEU A 22 9.845 -4.623 3.017 1.00 5.20 H new ATOM 0 HD23 LEU A 22 11.289 -5.201 3.883 1.00 5.20 H new ATOM 365 N GLY A 23 10.909 -10.020 0.101 1.00 50.52 N ATOM 366 CA GLY A 23 11.006 -11.452 0.363 1.00 43.21 C ATOM 367 C GLY A 23 10.338 -11.882 1.672 1.00 13.52 C ATOM 368 O GLY A 23 10.423 -13.056 2.040 1.00 65.43 O ATOM 0 H GLY A 23 10.292 -9.795 -0.680 1.00 50.52 H new ATOM 0 HA2 GLY A 23 10.550 -11.996 -0.464 1.00 43.21 H new ATOM 0 HA3 GLY A 23 12.058 -11.738 0.391 1.00 43.21 H new ATOM 372 N LYS A 24 9.671 -10.964 2.388 1.00 22.13 N ATOM 373 CA LYS A 24 8.925 -11.286 3.601 1.00 44.55 C ATOM 374 C LYS A 24 7.847 -12.298 3.247 1.00 23.31 C ATOM 375 O LYS A 24 7.452 -12.429 2.083 1.00 70.15 O ATOM 376 CB LYS A 24 8.288 -10.030 4.214 1.00 42.22 C ATOM 377 CG LYS A 24 9.293 -9.029 4.800 1.00 4.33 C ATOM 378 CD LYS A 24 8.569 -7.726 5.172 1.00 32.13 C ATOM 379 CE LYS A 24 9.475 -6.702 5.867 1.00 71.04 C ATOM 380 NZ LYS A 24 9.858 -7.093 7.239 1.00 65.01 N ATOM 0 H LYS A 24 9.637 -9.976 2.136 1.00 22.13 H new ATOM 0 HA LYS A 24 9.608 -11.701 4.342 1.00 44.55 H new ATOM 0 HB2 LYS A 24 7.697 -9.527 3.448 1.00 42.22 H new ATOM 0 HB3 LYS A 24 7.597 -10.335 5.000 1.00 42.22 H new ATOM 0 HG2 LYS A 24 9.773 -9.454 5.682 1.00 4.33 H new ATOM 0 HG3 LYS A 24 10.081 -8.824 4.076 1.00 4.33 H new ATOM 0 HD2 LYS A 24 8.154 -7.279 4.268 1.00 32.13 H new ATOM 0 HD3 LYS A 24 7.729 -7.960 5.826 1.00 32.13 H new ATOM 0 HE2 LYS A 24 10.377 -6.563 5.272 1.00 71.04 H new ATOM 0 HE3 LYS A 24 8.964 -5.740 5.901 1.00 71.04 H new ATOM 0 HZ1 LYS A 24 10.469 -6.359 7.651 1.00 65.01 H new ATOM 0 HZ2 LYS A 24 9.003 -7.199 7.821 1.00 65.01 H new ATOM 0 HZ3 LYS A 24 10.372 -7.997 7.212 1.00 65.01 H new ATOM 394 N SER A 25 7.331 -12.985 4.249 1.00 23.30 N ATOM 395 CA SER A 25 6.419 -14.098 4.073 1.00 74.42 C ATOM 396 C SER A 25 5.377 -14.080 5.189 1.00 62.44 C ATOM 397 O SER A 25 5.400 -13.191 6.042 1.00 45.51 O ATOM 398 CB SER A 25 7.257 -15.385 4.048 1.00 34.13 C ATOM 399 OG SER A 25 8.174 -15.440 5.133 1.00 12.14 O ATOM 0 H SER A 25 7.539 -12.780 5.227 1.00 23.30 H new ATOM 0 HA SER A 25 5.867 -14.033 3.135 1.00 74.42 H new ATOM 0 HB2 SER A 25 6.595 -16.250 4.087 1.00 34.13 H new ATOM 0 HB3 SER A 25 7.804 -15.444 3.107 1.00 34.13 H new ATOM 0 HG SER A 25 8.688 -16.273 5.085 1.00 12.14 H new ATOM 405 N GLY A 26 4.495 -15.078 5.202 1.00 71.34 N ATOM 406 CA GLY A 26 3.668 -15.424 6.340 1.00 5.34 C ATOM 407 C GLY A 26 2.915 -14.232 6.928 1.00 50.31 C ATOM 408 O GLY A 26 2.209 -13.485 6.238 1.00 51.50 O ATOM 0 H GLY A 26 4.337 -15.681 4.395 1.00 71.34 H new ATOM 0 HA2 GLY A 26 2.949 -16.186 6.039 1.00 5.34 H new ATOM 0 HA3 GLY A 26 4.295 -15.866 7.114 1.00 5.34 H new ATOM 412 N ASP A 27 3.042 -14.083 8.242 1.00 21.43 N ATOM 413 CA ASP A 27 2.418 -13.003 8.991 1.00 21.11 C ATOM 414 C ASP A 27 3.286 -11.760 8.985 1.00 2.53 C ATOM 415 O ASP A 27 2.743 -10.664 9.013 1.00 5.40 O ATOM 416 CB ASP A 27 2.098 -13.429 10.423 1.00 63.33 C ATOM 417 CG ASP A 27 0.794 -14.207 10.405 1.00 14.32 C ATOM 418 OD1 ASP A 27 -0.274 -13.561 10.338 1.00 14.35 O ATOM 419 OD2 ASP A 27 0.852 -15.465 10.341 1.00 3.34 O ATOM 0 H ASP A 27 3.589 -14.718 8.823 1.00 21.43 H new ATOM 0 HA ASP A 27 1.478 -12.764 8.494 1.00 21.11 H new ATOM 0 HB2 ASP A 27 2.903 -14.044 10.826 1.00 63.33 H new ATOM 0 HB3 ASP A 27 2.011 -12.556 11.069 1.00 63.33 H new ATOM 424 N GLU A 28 4.604 -11.898 8.854 1.00 21.01 N ATOM 425 CA GLU A 28 5.557 -10.823 8.680 1.00 14.42 C ATOM 426 C GLU A 28 5.110 -9.869 7.559 1.00 11.50 C ATOM 427 O GLU A 28 5.142 -8.649 7.744 1.00 23.14 O ATOM 428 CB GLU A 28 6.916 -11.487 8.407 1.00 10.51 C ATOM 429 CG GLU A 28 7.732 -11.816 9.664 1.00 34.03 C ATOM 430 CD GLU A 28 6.910 -12.338 10.849 1.00 61.32 C ATOM 431 OE1 GLU A 28 6.425 -13.492 10.805 1.00 31.03 O ATOM 432 OE2 GLU A 28 6.774 -11.571 11.840 1.00 65.25 O ATOM 0 H GLU A 28 5.051 -12.815 8.868 1.00 21.01 H new ATOM 0 HA GLU A 28 5.630 -10.196 9.569 1.00 14.42 H new ATOM 0 HB2 GLU A 28 6.750 -12.407 7.847 1.00 10.51 H new ATOM 0 HB3 GLU A 28 7.506 -10.828 7.770 1.00 10.51 H new ATOM 0 HG2 GLU A 28 8.485 -12.561 9.406 1.00 34.03 H new ATOM 0 HG3 GLU A 28 8.266 -10.919 9.978 1.00 34.03 H new ATOM 439 N ALA A 29 4.639 -10.402 6.428 1.00 3.20 N ATOM 440 CA ALA A 29 4.112 -9.612 5.324 1.00 3.31 C ATOM 441 C ALA A 29 2.805 -8.895 5.687 1.00 74.44 C ATOM 442 O ALA A 29 2.542 -7.788 5.217 1.00 71.34 O ATOM 443 CB ALA A 29 3.890 -10.541 4.130 1.00 63.23 C ATOM 0 H ALA A 29 4.615 -11.407 6.256 1.00 3.20 H new ATOM 0 HA ALA A 29 4.836 -8.834 5.080 1.00 3.31 H new ATOM 0 HB1 ALA A 29 3.495 -9.968 3.291 1.00 63.23 H new ATOM 0 HB2 ALA A 29 4.837 -10.998 3.843 1.00 63.23 H new ATOM 0 HB3 ALA A 29 3.179 -11.321 4.403 1.00 63.23 H new ATOM 449 N ASN A 30 1.962 -9.524 6.507 1.00 44.34 N ATOM 450 CA ASN A 30 0.649 -9.007 6.891 1.00 71.31 C ATOM 451 C ASN A 30 0.840 -7.891 7.915 1.00 61.41 C ATOM 452 O ASN A 30 0.160 -6.863 7.866 1.00 13.12 O ATOM 453 CB ASN A 30 -0.250 -10.115 7.479 1.00 43.13 C ATOM 454 CG ASN A 30 -1.021 -10.902 6.423 1.00 24.44 C ATOM 455 OD1 ASN A 30 -2.177 -10.575 6.145 1.00 42.44 O ATOM 456 ND2 ASN A 30 -0.430 -11.935 5.841 1.00 63.14 N ATOM 0 H ASN A 30 2.178 -10.426 6.931 1.00 44.34 H new ATOM 0 HA ASN A 30 0.152 -8.623 6.000 1.00 71.31 H new ATOM 0 HB2 ASN A 30 0.367 -10.804 8.055 1.00 43.13 H new ATOM 0 HB3 ASN A 30 -0.959 -9.665 8.174 1.00 43.13 H new ATOM 0 HD21 ASN A 30 -0.932 -12.483 5.143 1.00 63.14 H new ATOM 0 HD22 ASN A 30 0.527 -12.182 6.091 1.00 63.14 H new ATOM 463 N ALA A 31 1.762 -8.094 8.856 1.00 64.24 N ATOM 464 CA ALA A 31 2.228 -7.119 9.820 1.00 1.41 C ATOM 465 C ALA A 31 2.788 -5.908 9.081 1.00 32.43 C ATOM 466 O ALA A 31 2.284 -4.805 9.277 1.00 54.35 O ATOM 467 CB ALA A 31 3.282 -7.756 10.728 1.00 30.43 C ATOM 0 H ALA A 31 2.225 -8.997 8.965 1.00 64.24 H new ATOM 0 HA ALA A 31 1.401 -6.786 10.447 1.00 1.41 H new ATOM 0 HB1 ALA A 31 3.631 -7.020 11.452 1.00 30.43 H new ATOM 0 HB2 ALA A 31 2.844 -8.604 11.254 1.00 30.43 H new ATOM 0 HB3 ALA A 31 4.123 -8.098 10.125 1.00 30.43 H new ATOM 473 N TYR A 32 3.753 -6.113 8.174 1.00 13.54 N ATOM 474 CA TYR A 32 4.368 -5.015 7.427 1.00 72.35 C ATOM 475 C TYR A 32 3.288 -4.192 6.719 1.00 44.13 C ATOM 476 O TYR A 32 3.294 -2.959 6.755 1.00 52.25 O ATOM 477 CB TYR A 32 5.402 -5.554 6.427 1.00 52.14 C ATOM 478 CG TYR A 32 6.027 -4.452 5.590 1.00 71.23 C ATOM 479 CD1 TYR A 32 5.420 -4.050 4.385 1.00 22.31 C ATOM 480 CD2 TYR A 32 7.156 -3.758 6.061 1.00 63.45 C ATOM 481 CE1 TYR A 32 5.901 -2.926 3.693 1.00 21.11 C ATOM 482 CE2 TYR A 32 7.680 -2.676 5.341 1.00 13.22 C ATOM 483 CZ TYR A 32 7.015 -2.213 4.186 1.00 22.43 C ATOM 484 OH TYR A 32 7.389 -1.044 3.604 1.00 65.13 O ATOM 0 H TYR A 32 4.124 -7.034 7.942 1.00 13.54 H new ATOM 0 HA TYR A 32 4.892 -4.362 8.125 1.00 72.35 H new ATOM 0 HB2 TYR A 32 6.186 -6.084 6.969 1.00 52.14 H new ATOM 0 HB3 TYR A 32 4.923 -6.279 5.769 1.00 52.14 H new ATOM 0 HD1 TYR A 32 4.583 -4.607 3.992 1.00 22.31 H new ATOM 0 HD2 TYR A 32 7.623 -4.062 6.986 1.00 63.45 H new ATOM 0 HE1 TYR A 32 5.417 -2.607 2.782 1.00 21.11 H new ATOM 0 HE2 TYR A 32 8.591 -2.198 5.669 1.00 13.22 H new ATOM 0 HH TYR A 32 7.671 -0.410 4.296 1.00 65.13 H new ATOM 494 N ALA A 33 2.313 -4.871 6.109 1.00 70.02 N ATOM 495 CA ALA A 33 1.233 -4.200 5.414 1.00 44.14 C ATOM 496 C ALA A 33 0.357 -3.343 6.329 1.00 12.41 C ATOM 497 O ALA A 33 -0.192 -2.339 5.869 1.00 23.30 O ATOM 498 CB ALA A 33 0.392 -5.226 4.661 1.00 31.23 C ATOM 0 H ALA A 33 2.257 -5.889 6.088 1.00 70.02 H new ATOM 0 HA ALA A 33 1.690 -3.506 4.709 1.00 44.14 H new ATOM 0 HB1 ALA A 33 -0.420 -4.719 4.139 1.00 31.23 H new ATOM 0 HB2 ALA A 33 1.018 -5.749 3.938 1.00 31.23 H new ATOM 0 HB3 ALA A 33 -0.024 -5.944 5.367 1.00 31.23 H new ATOM 504 N ALA A 34 0.214 -3.694 7.608 1.00 10.30 N ATOM 505 CA ALA A 34 -0.467 -2.839 8.568 1.00 74.25 C ATOM 506 C ALA A 34 0.377 -1.606 8.892 1.00 61.05 C ATOM 507 O ALA A 34 -0.183 -0.518 8.997 1.00 23.44 O ATOM 508 CB ALA A 34 -0.812 -3.622 9.831 1.00 23.14 C ATOM 0 H ALA A 34 0.564 -4.569 7.999 1.00 10.30 H new ATOM 0 HA ALA A 34 -1.399 -2.493 8.122 1.00 74.25 H new ATOM 0 HB1 ALA A 34 -1.321 -2.967 10.538 1.00 23.14 H new ATOM 0 HB2 ALA A 34 -1.465 -4.456 9.575 1.00 23.14 H new ATOM 0 HB3 ALA A 34 0.103 -4.003 10.284 1.00 23.14 H new ATOM 514 N GLU A 35 1.704 -1.727 8.982 1.00 74.14 N ATOM 515 CA GLU A 35 2.567 -0.580 9.265 1.00 33.20 C ATOM 516 C GLU A 35 2.519 0.455 8.135 1.00 61.01 C ATOM 517 O GLU A 35 2.620 1.659 8.374 1.00 61.04 O ATOM 518 CB GLU A 35 4.012 -1.010 9.510 1.00 65.02 C ATOM 519 CG GLU A 35 4.189 -2.208 10.448 1.00 14.34 C ATOM 520 CD GLU A 35 3.337 -2.222 11.729 1.00 65.32 C ATOM 521 OE1 GLU A 35 3.036 -1.140 12.286 1.00 42.13 O ATOM 522 OE2 GLU A 35 3.054 -3.330 12.245 1.00 51.35 O ATOM 0 H GLU A 35 2.203 -2.608 8.863 1.00 74.14 H new ATOM 0 HA GLU A 35 2.183 -0.119 10.175 1.00 33.20 H new ATOM 0 HB2 GLU A 35 4.470 -1.250 8.550 1.00 65.02 H new ATOM 0 HB3 GLU A 35 4.561 -0.163 9.922 1.00 65.02 H new ATOM 0 HG2 GLU A 35 3.969 -3.115 9.885 1.00 14.34 H new ATOM 0 HG3 GLU A 35 5.238 -2.259 10.738 1.00 14.34 H new ATOM 529 N VAL A 36 2.368 -0.002 6.890 1.00 24.23 N ATOM 530 CA VAL A 36 2.166 0.871 5.740 1.00 50.52 C ATOM 531 C VAL A 36 0.836 1.626 5.885 1.00 5.44 C ATOM 532 O VAL A 36 0.801 2.840 5.663 1.00 11.32 O ATOM 533 CB VAL A 36 2.266 0.036 4.447 1.00 71.23 C ATOM 534 CG1 VAL A 36 1.806 0.796 3.200 1.00 41.33 C ATOM 535 CG2 VAL A 36 3.718 -0.410 4.227 1.00 73.42 C ATOM 0 H VAL A 36 2.383 -0.994 6.654 1.00 24.23 H new ATOM 0 HA VAL A 36 2.944 1.633 5.687 1.00 50.52 H new ATOM 0 HB VAL A 36 1.602 -0.818 4.584 1.00 71.23 H new ATOM 0 HG11 VAL A 36 1.902 0.152 2.326 1.00 41.33 H new ATOM 0 HG12 VAL A 36 0.764 1.094 3.319 1.00 41.33 H new ATOM 0 HG13 VAL A 36 2.424 1.684 3.066 1.00 41.33 H new ATOM 0 HG21 VAL A 36 3.783 -0.999 3.312 1.00 73.42 H new ATOM 0 HG22 VAL A 36 4.359 0.467 4.140 1.00 73.42 H new ATOM 0 HG23 VAL A 36 4.045 -1.015 5.073 1.00 73.42 H new ATOM 545 N VAL A 37 -0.247 0.940 6.269 1.00 54.22 N ATOM 546 CA VAL A 37 -1.546 1.568 6.515 1.00 44.33 C ATOM 547 C VAL A 37 -1.403 2.619 7.615 1.00 1.20 C ATOM 548 O VAL A 37 -1.883 3.732 7.447 1.00 2.54 O ATOM 549 CB VAL A 37 -2.608 0.499 6.860 1.00 10.43 C ATOM 550 CG1 VAL A 37 -3.968 1.076 7.274 1.00 53.44 C ATOM 551 CG2 VAL A 37 -2.876 -0.430 5.671 1.00 23.40 C ATOM 0 H VAL A 37 -0.245 -0.069 6.418 1.00 54.22 H new ATOM 0 HA VAL A 37 -1.889 2.073 5.612 1.00 44.33 H new ATOM 0 HB VAL A 37 -2.174 -0.036 7.705 1.00 10.43 H new ATOM 0 HG11 VAL A 37 -4.656 0.261 7.499 1.00 53.44 H new ATOM 0 HG12 VAL A 37 -3.844 1.701 8.158 1.00 53.44 H new ATOM 0 HG13 VAL A 37 -4.372 1.677 6.459 1.00 53.44 H new ATOM 0 HG21 VAL A 37 -3.627 -1.169 5.949 1.00 23.40 H new ATOM 0 HG22 VAL A 37 -3.238 0.156 4.826 1.00 23.40 H new ATOM 0 HG23 VAL A 37 -1.953 -0.938 5.391 1.00 23.40 H new ATOM 561 N LYS A 38 -0.754 2.285 8.732 1.00 13.23 N ATOM 562 CA LYS A 38 -0.753 3.124 9.923 1.00 31.24 C ATOM 563 C LYS A 38 -0.038 4.464 9.760 1.00 31.30 C ATOM 564 O LYS A 38 -0.139 5.268 10.682 1.00 63.43 O ATOM 565 CB LYS A 38 -0.163 2.343 11.114 1.00 45.23 C ATOM 566 CG LYS A 38 -1.219 2.129 12.207 1.00 10.23 C ATOM 567 CD LYS A 38 -0.607 1.669 13.535 1.00 5.21 C ATOM 568 CE LYS A 38 0.219 2.804 14.164 1.00 72.22 C ATOM 569 NZ LYS A 38 -0.104 2.996 15.591 1.00 24.12 N ATOM 0 H LYS A 38 -0.216 1.425 8.832 1.00 13.23 H new ATOM 0 HA LYS A 38 -1.797 3.376 10.109 1.00 31.24 H new ATOM 0 HB2 LYS A 38 0.212 1.379 10.771 1.00 45.23 H new ATOM 0 HB3 LYS A 38 0.687 2.887 11.526 1.00 45.23 H new ATOM 0 HG2 LYS A 38 -1.766 3.058 12.366 1.00 10.23 H new ATOM 0 HG3 LYS A 38 -1.942 1.387 11.868 1.00 10.23 H new ATOM 0 HD2 LYS A 38 -1.397 1.362 14.220 1.00 5.21 H new ATOM 0 HD3 LYS A 38 0.027 0.798 13.369 1.00 5.21 H new ATOM 0 HE2 LYS A 38 1.281 2.581 14.059 1.00 72.22 H new ATOM 0 HE3 LYS A 38 0.033 3.731 13.622 1.00 72.22 H new ATOM 0 HZ1 LYS A 38 0.474 3.770 15.977 1.00 24.12 H new ATOM 0 HZ2 LYS A 38 -1.112 3.234 15.690 1.00 24.12 H new ATOM 0 HZ3 LYS A 38 0.097 2.120 16.114 1.00 24.12 H new ATOM 583 N ALA A 39 0.679 4.703 8.659 1.00 52.33 N ATOM 584 CA ALA A 39 1.506 5.895 8.528 1.00 32.30 C ATOM 585 C ALA A 39 0.853 7.041 7.766 1.00 1.12 C ATOM 586 O ALA A 39 1.477 8.096 7.660 1.00 34.33 O ATOM 587 CB ALA A 39 2.869 5.531 7.923 1.00 24.10 C ATOM 0 H ALA A 39 0.700 4.084 7.848 1.00 52.33 H new ATOM 0 HA ALA A 39 1.642 6.276 9.540 1.00 32.30 H new ATOM 0 HB1 ALA A 39 3.478 6.430 7.830 1.00 24.10 H new ATOM 0 HB2 ALA A 39 3.375 4.815 8.571 1.00 24.10 H new ATOM 0 HB3 ALA A 39 2.723 5.088 6.938 1.00 24.10 H new ATOM 593 N ASP A 40 -0.360 6.860 7.241 1.00 43.34 N ATOM 594 CA ASP A 40 -1.151 7.942 6.653 1.00 70.45 C ATOM 595 C ASP A 40 -1.685 8.868 7.768 1.00 42.12 C ATOM 596 O ASP A 40 -0.998 9.066 8.772 1.00 65.44 O ATOM 597 CB ASP A 40 -2.170 7.389 5.640 1.00 5.22 C ATOM 598 CG ASP A 40 -3.556 7.087 6.201 1.00 41.45 C ATOM 599 OD1 ASP A 40 -3.754 6.044 6.857 1.00 14.50 O ATOM 600 OD2 ASP A 40 -4.485 7.861 5.875 1.00 34.44 O ATOM 0 H ASP A 40 -0.824 5.952 7.212 1.00 43.34 H new ATOM 0 HA ASP A 40 -0.535 8.600 6.039 1.00 70.45 H new ATOM 0 HB2 ASP A 40 -2.275 8.108 4.827 1.00 5.22 H new ATOM 0 HB3 ASP A 40 -1.765 6.474 5.206 1.00 5.22 H new ATOM 605 N PHE A 41 -2.810 9.566 7.581 1.00 3.21 N ATOM 606 CA PHE A 41 -3.484 10.431 8.564 1.00 32.30 C ATOM 607 C PHE A 41 -2.791 11.781 8.787 1.00 13.14 C ATOM 608 O PHE A 41 -3.441 12.698 9.303 1.00 2.44 O ATOM 609 CB PHE A 41 -3.660 9.761 9.951 1.00 11.54 C ATOM 610 CG PHE A 41 -4.060 8.297 10.003 1.00 72.14 C ATOM 611 CD1 PHE A 41 -5.415 7.921 9.943 1.00 33.34 C ATOM 612 CD2 PHE A 41 -3.082 7.300 10.191 1.00 3.21 C ATOM 613 CE1 PHE A 41 -5.782 6.567 10.068 1.00 63.31 C ATOM 614 CE2 PHE A 41 -3.438 5.955 10.287 1.00 51.13 C ATOM 615 CZ PHE A 41 -4.791 5.579 10.231 1.00 41.51 C ATOM 0 H PHE A 41 -3.306 9.543 6.690 1.00 3.21 H new ATOM 0 HA PHE A 41 -4.459 10.602 8.108 1.00 32.30 H new ATOM 0 HB2 PHE A 41 -2.720 9.867 10.492 1.00 11.54 H new ATOM 0 HB3 PHE A 41 -4.410 10.329 10.501 1.00 11.54 H new ATOM 0 HD1 PHE A 41 -6.176 8.674 9.801 1.00 33.34 H new ATOM 0 HD2 PHE A 41 -2.042 7.582 10.262 1.00 3.21 H new ATOM 0 HE1 PHE A 41 -6.824 6.286 10.039 1.00 63.31 H new ATOM 0 HE2 PHE A 41 -2.673 5.202 10.404 1.00 51.13 H new ATOM 0 HZ PHE A 41 -5.069 4.539 10.312 1.00 41.51 H new ATOM 625 N GLU A 42 -1.508 11.903 8.448 1.00 14.21 N ATOM 626 CA GLU A 42 -0.677 13.081 8.643 1.00 41.22 C ATOM 627 C GLU A 42 -0.633 13.853 7.327 1.00 30.14 C ATOM 628 O GLU A 42 -1.157 14.965 7.249 1.00 51.42 O ATOM 629 CB GLU A 42 0.724 12.653 9.111 1.00 42.44 C ATOM 630 CG GLU A 42 0.758 12.173 10.566 1.00 61.33 C ATOM 631 CD GLU A 42 0.554 13.317 11.557 1.00 62.01 C ATOM 632 OE1 GLU A 42 1.502 14.110 11.771 1.00 23.31 O ATOM 633 OE2 GLU A 42 -0.555 13.416 12.126 1.00 52.44 O ATOM 0 H GLU A 42 -0.997 11.139 8.006 1.00 14.21 H new ATOM 0 HA GLU A 42 -1.088 13.731 9.415 1.00 41.22 H new ATOM 0 HB2 GLU A 42 1.087 11.855 8.464 1.00 42.44 H new ATOM 0 HB3 GLU A 42 1.410 13.493 8.997 1.00 42.44 H new ATOM 0 HG2 GLU A 42 -0.017 11.422 10.717 1.00 61.33 H new ATOM 0 HG3 GLU A 42 1.714 11.689 10.765 1.00 61.33 H new ATOM 640 N GLU A 43 -0.053 13.273 6.278 1.00 32.41 N ATOM 641 CA GLU A 43 -0.125 13.796 4.924 1.00 45.14 C ATOM 642 C GLU A 43 -1.560 13.808 4.386 1.00 2.13 C ATOM 643 O GLU A 43 -2.419 13.032 4.813 1.00 4.53 O ATOM 644 CB GLU A 43 0.778 13.006 3.972 1.00 10.23 C ATOM 645 CG GLU A 43 0.466 11.508 3.937 1.00 63.12 C ATOM 646 CD GLU A 43 1.420 10.714 4.822 1.00 25.11 C ATOM 647 OE1 GLU A 43 1.649 11.101 5.991 1.00 51.25 O ATOM 648 OE2 GLU A 43 1.977 9.739 4.290 1.00 72.01 O ATOM 0 H GLU A 43 0.488 12.412 6.351 1.00 32.41 H new ATOM 0 HA GLU A 43 0.228 14.826 4.973 1.00 45.14 H new ATOM 0 HB2 GLU A 43 0.677 13.414 2.966 1.00 10.23 H new ATOM 0 HB3 GLU A 43 1.817 13.146 4.270 1.00 10.23 H new ATOM 0 HG2 GLU A 43 -0.560 11.342 4.266 1.00 63.12 H new ATOM 0 HG3 GLU A 43 0.534 11.146 2.911 1.00 63.12 H new ATOM 655 N ALA A 44 -1.775 14.623 3.356 1.00 53.11 N ATOM 656 CA ALA A 44 -2.988 14.684 2.567 1.00 62.44 C ATOM 657 C ALA A 44 -2.598 14.411 1.110 1.00 3.32 C ATOM 658 O ALA A 44 -2.421 15.347 0.322 1.00 72.22 O ATOM 659 CB ALA A 44 -3.680 16.033 2.791 1.00 43.54 C ATOM 0 H ALA A 44 -1.070 15.288 3.039 1.00 53.11 H new ATOM 0 HA ALA A 44 -3.719 13.931 2.863 1.00 62.44 H new ATOM 0 HB1 ALA A 44 -4.593 16.077 2.196 1.00 43.54 H new ATOM 0 HB2 ALA A 44 -3.929 16.143 3.846 1.00 43.54 H new ATOM 0 HB3 ALA A 44 -3.011 16.839 2.490 1.00 43.54 H new ATOM 665 N GLY A 45 -2.446 13.133 0.756 1.00 30.41 N ATOM 666 CA GLY A 45 -2.215 12.668 -0.609 1.00 30.30 C ATOM 667 C GLY A 45 -0.841 12.029 -0.755 1.00 2.21 C ATOM 668 O GLY A 45 0.079 12.679 -1.245 1.00 10.42 O ATOM 0 H GLY A 45 -2.482 12.372 1.434 1.00 30.41 H new ATOM 0 HA2 GLY A 45 -2.984 11.946 -0.884 1.00 30.30 H new ATOM 0 HA3 GLY A 45 -2.303 13.506 -1.300 1.00 30.30 H new ATOM 672 N HIS A 46 -0.711 10.773 -0.311 1.00 51.14 N ATOM 673 CA HIS A 46 0.414 9.841 -0.435 1.00 41.15 C ATOM 674 C HIS A 46 1.812 10.370 -0.079 1.00 23.14 C ATOM 675 O HIS A 46 2.799 9.681 -0.334 1.00 30.10 O ATOM 676 CB HIS A 46 0.341 9.103 -1.789 1.00 45.13 C ATOM 677 CG HIS A 46 0.534 9.896 -3.070 1.00 3.11 C ATOM 678 ND1 HIS A 46 1.407 10.941 -3.285 1.00 11.34 N ATOM 679 CD2 HIS A 46 -0.102 9.648 -4.261 1.00 3.42 C ATOM 680 CE1 HIS A 46 1.289 11.314 -4.569 1.00 44.22 C ATOM 681 NE2 HIS A 46 0.398 10.543 -5.220 1.00 0.10 N ATOM 0 H HIS A 46 -1.478 10.338 0.201 1.00 51.14 H new ATOM 0 HA HIS A 46 0.277 9.120 0.371 1.00 41.15 H new ATOM 0 HB2 HIS A 46 1.092 8.313 -1.774 1.00 45.13 H new ATOM 0 HB3 HIS A 46 -0.633 8.616 -1.847 1.00 45.13 H new ATOM 0 HD2 HIS A 46 -0.857 8.894 -4.431 1.00 3.42 H new ATOM 0 HE1 HIS A 46 1.838 12.127 -5.021 1.00 44.22 H new ATOM 0 HE2 HIS A 46 0.140 10.598 -6.205 1.00 0.10 H new ATOM 689 N GLU A 47 1.907 11.569 0.492 1.00 22.03 N ATOM 690 CA GLU A 47 3.106 12.385 0.478 1.00 65.45 C ATOM 691 C GLU A 47 4.254 11.697 1.221 1.00 43.24 C ATOM 692 O GLU A 47 5.352 11.597 0.663 1.00 31.33 O ATOM 693 CB GLU A 47 2.750 13.776 1.034 1.00 22.10 C ATOM 694 CG GLU A 47 3.725 14.891 0.652 1.00 21.32 C ATOM 695 CD GLU A 47 3.823 15.077 -0.858 1.00 4.32 C ATOM 696 OE1 GLU A 47 2.991 15.811 -1.439 1.00 52.34 O ATOM 697 OE2 GLU A 47 4.709 14.444 -1.481 1.00 5.52 O ATOM 0 H GLU A 47 1.130 12.005 0.988 1.00 22.03 H new ATOM 0 HA GLU A 47 3.472 12.514 -0.540 1.00 65.45 H new ATOM 0 HB2 GLU A 47 1.754 14.048 0.683 1.00 22.10 H new ATOM 0 HB3 GLU A 47 2.699 13.715 2.121 1.00 22.10 H new ATOM 0 HG2 GLU A 47 3.404 15.826 1.112 1.00 21.32 H new ATOM 0 HG3 GLU A 47 4.712 14.661 1.053 1.00 21.32 H new ATOM 704 N ASP A 48 3.997 11.181 2.431 1.00 72.01 N ATOM 705 CA ASP A 48 5.002 10.467 3.221 1.00 10.12 C ATOM 706 C ASP A 48 4.896 8.956 3.026 1.00 45.31 C ATOM 707 O ASP A 48 5.920 8.285 3.074 1.00 52.55 O ATOM 708 CB ASP A 48 4.927 10.829 4.710 1.00 43.55 C ATOM 709 CG ASP A 48 6.293 10.649 5.360 1.00 64.04 C ATOM 710 OD1 ASP A 48 7.068 11.631 5.315 1.00 32.00 O ATOM 711 OD2 ASP A 48 6.613 9.572 5.912 1.00 74.33 O ATOM 0 H ASP A 48 3.087 11.248 2.887 1.00 72.01 H new ATOM 0 HA ASP A 48 5.976 10.789 2.854 1.00 10.12 H new ATOM 0 HB2 ASP A 48 4.593 11.860 4.826 1.00 43.55 H new ATOM 0 HB3 ASP A 48 4.192 10.198 5.209 1.00 43.55 H new ATOM 716 N VAL A 49 3.716 8.423 2.674 1.00 63.11 N ATOM 717 CA VAL A 49 3.487 7.005 2.383 1.00 12.31 C ATOM 718 C VAL A 49 4.530 6.541 1.361 1.00 44.52 C ATOM 719 O VAL A 49 5.091 5.451 1.496 1.00 13.30 O ATOM 720 CB VAL A 49 2.032 6.775 1.881 1.00 1.34 C ATOM 721 CG1 VAL A 49 1.836 5.401 1.217 1.00 43.55 C ATOM 722 CG2 VAL A 49 0.958 6.897 2.984 1.00 42.34 C ATOM 0 H VAL A 49 2.871 8.987 2.582 1.00 63.11 H new ATOM 0 HA VAL A 49 3.599 6.412 3.291 1.00 12.31 H new ATOM 0 HB VAL A 49 1.897 7.576 1.154 1.00 1.34 H new ATOM 0 HG11 VAL A 49 0.802 5.300 0.888 1.00 43.55 H new ATOM 0 HG12 VAL A 49 2.500 5.314 0.357 1.00 43.55 H new ATOM 0 HG13 VAL A 49 2.067 4.614 1.935 1.00 43.55 H new ATOM 0 HG21 VAL A 49 -0.028 6.723 2.553 1.00 42.34 H new ATOM 0 HG22 VAL A 49 1.149 6.158 3.762 1.00 42.34 H new ATOM 0 HG23 VAL A 49 0.993 7.897 3.417 1.00 42.34 H new ATOM 732 N MET A 50 4.803 7.359 0.334 1.00 13.13 N ATOM 733 CA MET A 50 5.842 7.054 -0.636 1.00 70.42 C ATOM 734 C MET A 50 7.209 6.954 0.048 1.00 71.21 C ATOM 735 O MET A 50 7.898 5.959 -0.147 1.00 51.44 O ATOM 736 CB MET A 50 5.848 8.044 -1.810 1.00 31.02 C ATOM 737 CG MET A 50 4.553 8.095 -2.641 1.00 34.02 C ATOM 738 SD MET A 50 4.229 6.757 -3.830 1.00 55.15 S ATOM 739 CE MET A 50 3.552 5.472 -2.751 1.00 1.12 C ATOM 0 H MET A 50 4.312 8.236 0.161 1.00 13.13 H new ATOM 0 HA MET A 50 5.618 6.079 -1.068 1.00 70.42 H new ATOM 0 HB2 MET A 50 6.048 9.042 -1.420 1.00 31.02 H new ATOM 0 HB3 MET A 50 6.675 7.789 -2.473 1.00 31.02 H new ATOM 0 HG2 MET A 50 3.714 8.130 -1.946 1.00 34.02 H new ATOM 0 HG3 MET A 50 4.550 9.036 -3.192 1.00 34.02 H new ATOM 0 HE1 MET A 50 2.809 4.892 -3.298 1.00 1.12 H new ATOM 0 HE2 MET A 50 4.356 4.814 -2.421 1.00 1.12 H new ATOM 0 HE3 MET A 50 3.083 5.936 -1.883 1.00 1.12 H new ATOM 749 N ARG A 51 7.627 7.925 0.863 1.00 11.41 N ATOM 750 CA ARG A 51 8.913 7.889 1.545 1.00 71.32 C ATOM 751 C ARG A 51 9.024 6.665 2.452 1.00 31.13 C ATOM 752 O ARG A 51 10.015 5.942 2.349 1.00 64.12 O ATOM 753 CB ARG A 51 9.083 9.182 2.340 1.00 11.44 C ATOM 754 CG ARG A 51 9.205 10.416 1.429 1.00 65.44 C ATOM 755 CD ARG A 51 10.523 11.169 1.629 1.00 24.10 C ATOM 756 NE ARG A 51 10.673 11.687 3.001 1.00 64.25 N ATOM 757 CZ ARG A 51 11.726 11.512 3.810 1.00 33.22 C ATOM 758 NH1 ARG A 51 12.762 10.757 3.461 1.00 71.31 N ATOM 759 NH2 ARG A 51 11.746 12.130 4.980 1.00 61.05 N ATOM 0 H ARG A 51 7.077 8.760 1.066 1.00 11.41 H new ATOM 0 HA ARG A 51 9.711 7.809 0.807 1.00 71.32 H new ATOM 0 HB2 ARG A 51 8.232 9.309 3.008 1.00 11.44 H new ATOM 0 HB3 ARG A 51 9.972 9.106 2.967 1.00 11.44 H new ATOM 0 HG2 ARG A 51 9.124 10.104 0.388 1.00 65.44 H new ATOM 0 HG3 ARG A 51 8.372 11.091 1.625 1.00 65.44 H new ATOM 0 HD2 ARG A 51 11.356 10.504 1.402 1.00 24.10 H new ATOM 0 HD3 ARG A 51 10.575 11.998 0.923 1.00 24.10 H new ATOM 0 HE ARG A 51 9.896 12.234 3.372 1.00 64.25 H new ATOM 0 HH11 ARG A 51 12.771 10.291 2.554 1.00 71.31 H new ATOM 0 HH12 ARG A 51 13.549 10.644 4.100 1.00 71.31 H new ATOM 0 HH21 ARG A 51 10.967 12.729 5.254 1.00 61.05 H new ATOM 0 HH22 ARG A 51 12.540 12.007 5.608 1.00 61.05 H new ATOM 773 N LYS A 52 7.993 6.404 3.264 1.00 1.44 N ATOM 774 CA LYS A 52 7.883 5.266 4.171 1.00 54.22 C ATOM 775 C LYS A 52 8.216 3.984 3.430 1.00 62.42 C ATOM 776 O LYS A 52 9.018 3.183 3.909 1.00 11.30 O ATOM 777 CB LYS A 52 6.462 5.250 4.781 1.00 32.11 C ATOM 778 CG LYS A 52 6.284 4.332 6.003 1.00 22.01 C ATOM 779 CD LYS A 52 5.933 2.852 5.736 1.00 74.03 C ATOM 780 CE LYS A 52 5.975 1.990 7.019 1.00 62.02 C ATOM 781 NZ LYS A 52 5.281 2.622 8.166 1.00 12.42 N ATOM 0 H LYS A 52 7.176 7.013 3.305 1.00 1.44 H new ATOM 0 HA LYS A 52 8.597 5.352 4.990 1.00 54.22 H new ATOM 0 HB2 LYS A 52 6.196 6.267 5.069 1.00 32.11 H new ATOM 0 HB3 LYS A 52 5.756 4.942 4.010 1.00 32.11 H new ATOM 0 HG2 LYS A 52 7.207 4.360 6.582 1.00 22.01 H new ATOM 0 HG3 LYS A 52 5.500 4.756 6.631 1.00 22.01 H new ATOM 0 HD2 LYS A 52 4.938 2.792 5.295 1.00 74.03 H new ATOM 0 HD3 LYS A 52 6.631 2.443 5.005 1.00 74.03 H new ATOM 0 HE2 LYS A 52 5.518 1.022 6.814 1.00 62.02 H new ATOM 0 HE3 LYS A 52 7.014 1.802 7.289 1.00 62.02 H new ATOM 0 HZ1 LYS A 52 5.415 2.039 9.017 1.00 12.42 H new ATOM 0 HZ2 LYS A 52 5.675 3.570 8.330 1.00 12.42 H new ATOM 0 HZ3 LYS A 52 4.265 2.701 7.957 1.00 12.42 H new ATOM 795 N VAL A 53 7.567 3.757 2.291 1.00 64.11 N ATOM 796 CA VAL A 53 7.659 2.497 1.580 1.00 71.24 C ATOM 797 C VAL A 53 8.914 2.423 0.695 1.00 4.52 C ATOM 798 O VAL A 53 9.370 1.326 0.359 1.00 11.31 O ATOM 799 CB VAL A 53 6.333 2.315 0.813 1.00 32.43 C ATOM 800 CG1 VAL A 53 6.256 3.073 -0.523 1.00 54.11 C ATOM 801 CG2 VAL A 53 5.990 0.853 0.680 1.00 70.41 C ATOM 0 H VAL A 53 6.964 4.445 1.840 1.00 64.11 H new ATOM 0 HA VAL A 53 7.786 1.663 2.271 1.00 71.24 H new ATOM 0 HB VAL A 53 5.563 2.790 1.421 1.00 32.43 H new ATOM 0 HG11 VAL A 53 5.290 2.887 -0.992 1.00 54.11 H new ATOM 0 HG12 VAL A 53 6.372 4.142 -0.342 1.00 54.11 H new ATOM 0 HG13 VAL A 53 7.052 2.729 -1.183 1.00 54.11 H new ATOM 0 HG21 VAL A 53 5.051 0.748 0.136 1.00 70.41 H new ATOM 0 HG22 VAL A 53 6.784 0.341 0.136 1.00 70.41 H new ATOM 0 HG23 VAL A 53 5.886 0.412 1.671 1.00 70.41 H new ATOM 811 N LEU A 54 9.470 3.567 0.287 1.00 21.41 N ATOM 812 CA LEU A 54 10.646 3.649 -0.572 1.00 13.42 C ATOM 813 C LEU A 54 11.917 3.422 0.239 1.00 13.12 C ATOM 814 O LEU A 54 12.764 2.627 -0.166 1.00 32.02 O ATOM 815 CB LEU A 54 10.700 5.018 -1.262 1.00 23.03 C ATOM 816 CG LEU A 54 9.762 5.152 -2.475 1.00 75.23 C ATOM 817 CD1 LEU A 54 9.627 6.636 -2.822 1.00 44.54 C ATOM 818 CD2 LEU A 54 10.295 4.399 -3.703 1.00 15.40 C ATOM 0 H LEU A 54 9.104 4.481 0.553 1.00 21.41 H new ATOM 0 HA LEU A 54 10.575 2.871 -1.332 1.00 13.42 H new ATOM 0 HB2 LEU A 54 10.447 5.789 -0.534 1.00 23.03 H new ATOM 0 HB3 LEU A 54 11.723 5.209 -1.586 1.00 23.03 H new ATOM 0 HG LEU A 54 8.798 4.716 -2.211 1.00 75.23 H new ATOM 0 HD11 LEU A 54 8.965 6.750 -3.680 1.00 44.54 H new ATOM 0 HD12 LEU A 54 9.211 7.173 -1.969 1.00 44.54 H new ATOM 0 HD13 LEU A 54 10.608 7.044 -3.064 1.00 44.54 H new ATOM 0 HD21 LEU A 54 9.601 4.521 -4.534 1.00 15.40 H new ATOM 0 HD22 LEU A 54 11.269 4.801 -3.981 1.00 15.40 H new ATOM 0 HD23 LEU A 54 10.394 3.340 -3.466 1.00 15.40 H new ATOM 830 N GLY A 55 12.050 4.065 1.403 1.00 33.02 N ATOM 831 CA GLY A 55 13.177 3.818 2.296 1.00 24.20 C ATOM 832 C GLY A 55 13.195 2.360 2.758 1.00 2.31 C ATOM 833 O GLY A 55 14.259 1.781 2.979 1.00 43.24 O ATOM 0 H GLY A 55 11.388 4.761 1.746 1.00 33.02 H new ATOM 0 HA2 GLY A 55 14.110 4.054 1.785 1.00 24.20 H new ATOM 0 HA3 GLY A 55 13.112 4.478 3.161 1.00 24.20 H new ATOM 837 N ASP A 56 12.021 1.730 2.859 1.00 41.41 N ATOM 838 CA ASP A 56 11.890 0.324 3.230 1.00 63.31 C ATOM 839 C ASP A 56 12.369 -0.578 2.092 1.00 71.13 C ATOM 840 O ASP A 56 13.076 -1.559 2.345 1.00 42.22 O ATOM 841 CB ASP A 56 10.439 0.004 3.609 1.00 33.43 C ATOM 842 CG ASP A 56 10.043 0.494 5.002 1.00 12.41 C ATOM 843 OD1 ASP A 56 10.882 1.103 5.718 1.00 25.43 O ATOM 844 OD2 ASP A 56 8.876 0.270 5.387 1.00 74.25 O ATOM 0 H ASP A 56 11.127 2.189 2.683 1.00 41.41 H new ATOM 0 HA ASP A 56 12.519 0.134 4.100 1.00 63.31 H new ATOM 0 HB2 ASP A 56 9.773 0.454 2.873 1.00 33.43 H new ATOM 0 HB3 ASP A 56 10.289 -1.074 3.557 1.00 33.43 H new ATOM 849 N LEU A 57 12.047 -0.230 0.836 1.00 31.42 N ATOM 850 CA LEU A 57 12.627 -0.880 -0.342 1.00 44.33 C ATOM 851 C LEU A 57 14.132 -0.687 -0.406 1.00 71.21 C ATOM 852 O LEU A 57 14.800 -1.515 -1.013 1.00 64.13 O ATOM 853 CB LEU A 57 12.048 -0.343 -1.659 1.00 72.24 C ATOM 854 CG LEU A 57 10.722 -0.967 -2.097 1.00 31.22 C ATOM 855 CD1 LEU A 57 10.283 -0.225 -3.361 1.00 42.24 C ATOM 856 CD2 LEU A 57 10.785 -2.451 -2.468 1.00 44.45 C ATOM 0 H LEU A 57 11.379 0.508 0.613 1.00 31.42 H new ATOM 0 HA LEU A 57 12.377 -1.935 -0.232 1.00 44.33 H new ATOM 0 HB2 LEU A 57 11.909 0.734 -1.562 1.00 72.24 H new ATOM 0 HB3 LEU A 57 12.782 -0.500 -2.449 1.00 72.24 H new ATOM 0 HG LEU A 57 10.046 -0.884 -1.246 1.00 31.22 H new ATOM 0 HD11 LEU A 57 9.337 -0.636 -3.714 1.00 42.24 H new ATOM 0 HD12 LEU A 57 10.157 0.834 -3.136 1.00 42.24 H new ATOM 0 HD13 LEU A 57 11.041 -0.344 -4.135 1.00 42.24 H new ATOM 0 HD21 LEU A 57 9.794 -2.795 -2.764 1.00 44.45 H new ATOM 0 HD22 LEU A 57 11.479 -2.590 -3.297 1.00 44.45 H new ATOM 0 HD23 LEU A 57 11.127 -3.027 -1.608 1.00 44.45 H new ATOM 868 N ASP A 58 14.671 0.377 0.184 1.00 11.23 N ATOM 869 CA ASP A 58 16.110 0.595 0.318 1.00 1.10 C ATOM 870 C ASP A 58 16.805 0.789 -1.038 1.00 45.54 C ATOM 871 O ASP A 58 18.031 0.726 -1.117 1.00 74.33 O ATOM 872 CB ASP A 58 16.713 -0.570 1.121 1.00 42.12 C ATOM 873 CG ASP A 58 18.021 -0.265 1.842 1.00 73.44 C ATOM 874 OD1 ASP A 58 18.177 0.827 2.438 1.00 50.21 O ATOM 875 OD2 ASP A 58 18.799 -1.237 2.003 1.00 25.02 O ATOM 0 H ASP A 58 14.110 1.126 0.590 1.00 11.23 H new ATOM 0 HA ASP A 58 16.277 1.527 0.858 1.00 1.10 H new ATOM 0 HB2 ASP A 58 15.980 -0.897 1.858 1.00 42.12 H new ATOM 0 HB3 ASP A 58 16.879 -1.407 0.443 1.00 42.12 H new ATOM 880 N GLY A 59 16.039 1.019 -2.114 1.00 73.35 N ATOM 881 CA GLY A 59 16.514 1.070 -3.493 1.00 2.33 C ATOM 882 C GLY A 59 16.180 -0.184 -4.309 1.00 52.11 C ATOM 883 O GLY A 59 16.717 -0.333 -5.410 1.00 4.12 O ATOM 0 H GLY A 59 15.035 1.180 -2.039 1.00 73.35 H new ATOM 0 HA2 GLY A 59 16.078 1.939 -3.986 1.00 2.33 H new ATOM 0 HA3 GLY A 59 17.595 1.213 -3.490 1.00 2.33 H new ATOM 887 N LYS A 60 15.350 -1.110 -3.808 1.00 12.41 N ATOM 888 CA LYS A 60 15.027 -2.371 -4.466 1.00 41.53 C ATOM 889 C LYS A 60 14.284 -2.218 -5.786 1.00 54.45 C ATOM 890 O LYS A 60 14.451 -3.091 -6.640 1.00 15.43 O ATOM 891 CB LYS A 60 14.190 -3.241 -3.537 1.00 61.34 C ATOM 892 CG LYS A 60 15.009 -4.248 -2.729 1.00 4.31 C ATOM 893 CD LYS A 60 14.080 -5.109 -1.868 1.00 63.35 C ATOM 894 CE LYS A 60 14.821 -6.261 -1.189 1.00 42.22 C ATOM 895 NZ LYS A 60 15.704 -5.806 -0.100 1.00 53.23 N ATOM 0 H LYS A 60 14.876 -0.994 -2.912 1.00 12.41 H new ATOM 0 HA LYS A 60 15.987 -2.834 -4.694 1.00 41.53 H new ATOM 0 HB2 LYS A 60 13.641 -2.598 -2.849 1.00 61.34 H new ATOM 0 HB3 LYS A 60 13.450 -3.780 -4.128 1.00 61.34 H new ATOM 0 HG2 LYS A 60 15.586 -4.882 -3.401 1.00 4.31 H new ATOM 0 HG3 LYS A 60 15.723 -3.723 -2.095 1.00 4.31 H new ATOM 0 HD2 LYS A 60 13.610 -4.484 -1.108 1.00 63.35 H new ATOM 0 HD3 LYS A 60 13.280 -5.511 -2.490 1.00 63.35 H new ATOM 0 HE2 LYS A 60 14.095 -6.970 -0.791 1.00 42.22 H new ATOM 0 HE3 LYS A 60 15.413 -6.795 -1.932 1.00 42.22 H new ATOM 0 HZ1 LYS A 60 16.181 -6.626 0.325 1.00 53.23 H new ATOM 0 HZ2 LYS A 60 16.416 -5.150 -0.481 1.00 53.23 H new ATOM 0 HZ3 LYS A 60 15.139 -5.320 0.625 1.00 53.23 H new ATOM 909 N ARG A 61 13.401 -1.225 -5.929 1.00 35.22 N ATOM 910 CA ARG A 61 12.619 -1.032 -7.152 1.00 20.11 C ATOM 911 C ARG A 61 12.509 0.456 -7.463 1.00 42.22 C ATOM 912 O ARG A 61 12.437 1.255 -6.528 1.00 12.33 O ATOM 913 CB ARG A 61 11.212 -1.658 -7.035 1.00 22.33 C ATOM 914 CG ARG A 61 11.182 -3.192 -7.101 1.00 21.02 C ATOM 915 CD ARG A 61 11.640 -3.708 -8.468 1.00 54.22 C ATOM 916 NE ARG A 61 11.489 -5.162 -8.571 1.00 75.34 N ATOM 917 CZ ARG A 61 11.987 -5.927 -9.547 1.00 1.43 C ATOM 918 NH1 ARG A 61 12.661 -5.409 -10.572 1.00 15.14 N ATOM 919 NH2 ARG A 61 11.795 -7.233 -9.490 1.00 15.13 N ATOM 0 H ARG A 61 13.209 -0.535 -5.203 1.00 35.22 H new ATOM 0 HA ARG A 61 13.137 -1.538 -7.967 1.00 20.11 H new ATOM 0 HB2 ARG A 61 10.766 -1.340 -6.093 1.00 22.33 H new ATOM 0 HB3 ARG A 61 10.586 -1.262 -7.834 1.00 22.33 H new ATOM 0 HG2 ARG A 61 11.825 -3.603 -6.323 1.00 21.02 H new ATOM 0 HG3 ARG A 61 10.171 -3.545 -6.898 1.00 21.02 H new ATOM 0 HD2 ARG A 61 11.060 -3.224 -9.254 1.00 54.22 H new ATOM 0 HD3 ARG A 61 12.683 -3.437 -8.629 1.00 54.22 H new ATOM 0 HE ARG A 61 10.959 -5.630 -7.836 1.00 75.34 H new ATOM 0 HH11 ARG A 61 12.810 -4.401 -10.628 1.00 15.14 H new ATOM 0 HH12 ARG A 61 13.029 -6.020 -11.301 1.00 15.14 H new ATOM 0 HH21 ARG A 61 11.275 -7.639 -8.712 1.00 15.13 H new ATOM 0 HH22 ARG A 61 12.166 -7.836 -10.224 1.00 15.13 H new ATOM 933 N PRO A 62 12.420 0.831 -8.747 1.00 44.33 N ATOM 934 CA PRO A 62 12.404 2.220 -9.167 1.00 20.41 C ATOM 935 C PRO A 62 11.141 2.917 -8.686 1.00 72.53 C ATOM 936 O PRO A 62 10.045 2.358 -8.750 1.00 33.44 O ATOM 937 CB PRO A 62 12.474 2.199 -10.695 1.00 72.43 C ATOM 938 CG PRO A 62 11.999 0.803 -11.080 1.00 13.34 C ATOM 939 CD PRO A 62 12.410 -0.052 -9.897 1.00 72.23 C ATOM 0 HA PRO A 62 13.241 2.774 -8.742 1.00 20.41 H new ATOM 0 HB2 PRO A 62 11.838 2.969 -11.132 1.00 72.43 H new ATOM 0 HB3 PRO A 62 13.488 2.385 -11.048 1.00 72.43 H new ATOM 0 HG2 PRO A 62 10.921 0.776 -11.239 1.00 13.34 H new ATOM 0 HG3 PRO A 62 12.466 0.461 -12.004 1.00 13.34 H new ATOM 0 HD2 PRO A 62 11.711 -0.876 -9.750 1.00 72.23 H new ATOM 0 HD3 PRO A 62 13.394 -0.493 -10.058 1.00 72.23 H new ATOM 947 N GLU A 63 11.278 4.176 -8.277 1.00 74.51 N ATOM 948 CA GLU A 63 10.174 4.985 -7.773 1.00 4.43 C ATOM 949 C GLU A 63 9.059 5.154 -8.811 1.00 14.22 C ATOM 950 O GLU A 63 7.891 5.274 -8.440 1.00 3.30 O ATOM 951 CB GLU A 63 10.761 6.316 -7.295 1.00 40.51 C ATOM 952 CG GLU A 63 9.755 7.240 -6.596 1.00 0.40 C ATOM 953 CD GLU A 63 10.407 8.295 -5.688 1.00 15.22 C ATOM 954 OE1 GLU A 63 11.656 8.370 -5.601 1.00 34.13 O ATOM 955 OE2 GLU A 63 9.649 9.011 -4.996 1.00 32.31 O ATOM 0 H GLU A 63 12.171 4.668 -8.287 1.00 74.51 H new ATOM 0 HA GLU A 63 9.688 4.484 -6.936 1.00 4.43 H new ATOM 0 HB2 GLU A 63 11.584 6.111 -6.610 1.00 40.51 H new ATOM 0 HB3 GLU A 63 11.183 6.841 -8.152 1.00 40.51 H new ATOM 0 HG2 GLU A 63 9.155 7.746 -7.352 1.00 0.40 H new ATOM 0 HG3 GLU A 63 9.072 6.634 -6.000 1.00 0.40 H new ATOM 962 N ALA A 64 9.392 5.077 -10.104 1.00 21.31 N ATOM 963 CA ALA A 64 8.423 5.022 -11.190 1.00 15.23 C ATOM 964 C ALA A 64 7.472 3.834 -11.028 1.00 35.51 C ATOM 965 O ALA A 64 6.252 4.024 -11.077 1.00 0.41 O ATOM 966 CB ALA A 64 9.146 4.936 -12.534 1.00 62.13 C ATOM 0 H ALA A 64 10.360 5.051 -10.424 1.00 21.31 H new ATOM 0 HA ALA A 64 7.829 5.935 -11.158 1.00 15.23 H new ATOM 0 HB1 ALA A 64 8.413 4.895 -13.340 1.00 62.13 H new ATOM 0 HB2 ALA A 64 9.779 5.814 -12.663 1.00 62.13 H new ATOM 0 HB3 ALA A 64 9.762 4.037 -12.559 1.00 62.13 H new ATOM 972 N GLU A 65 8.016 2.622 -10.865 1.00 41.22 N ATOM 973 CA GLU A 65 7.247 1.400 -10.688 1.00 32.32 C ATOM 974 C GLU A 65 6.442 1.476 -9.388 1.00 33.10 C ATOM 975 O GLU A 65 5.238 1.224 -9.392 1.00 62.22 O ATOM 976 CB GLU A 65 8.221 0.208 -10.727 1.00 64.52 C ATOM 977 CG GLU A 65 7.538 -1.165 -10.766 1.00 41.14 C ATOM 978 CD GLU A 65 8.511 -2.334 -11.024 1.00 3.01 C ATOM 979 OE1 GLU A 65 9.748 -2.139 -11.056 1.00 13.22 O ATOM 980 OE2 GLU A 65 8.049 -3.492 -11.195 1.00 52.15 O ATOM 0 H GLU A 65 9.024 2.468 -10.853 1.00 41.22 H new ATOM 0 HA GLU A 65 6.521 1.268 -11.490 1.00 32.32 H new ATOM 0 HB2 GLU A 65 8.862 0.307 -11.603 1.00 64.52 H new ATOM 0 HB3 GLU A 65 8.868 0.254 -9.851 1.00 64.52 H new ATOM 0 HG2 GLU A 65 7.025 -1.333 -9.819 1.00 41.14 H new ATOM 0 HG3 GLU A 65 6.776 -1.160 -11.545 1.00 41.14 H new ATOM 987 N VAL A 66 7.085 1.882 -8.289 1.00 73.22 N ATOM 988 CA VAL A 66 6.483 1.951 -6.959 1.00 73.32 C ATOM 989 C VAL A 66 5.274 2.894 -6.968 1.00 42.54 C ATOM 990 O VAL A 66 4.175 2.495 -6.571 1.00 55.31 O ATOM 991 CB VAL A 66 7.551 2.374 -5.928 1.00 24.43 C ATOM 992 CG1 VAL A 66 6.981 2.468 -4.505 1.00 55.24 C ATOM 993 CG2 VAL A 66 8.717 1.372 -5.880 1.00 54.54 C ATOM 0 H VAL A 66 8.061 2.178 -8.302 1.00 73.22 H new ATOM 0 HA VAL A 66 6.114 0.967 -6.669 1.00 73.32 H new ATOM 0 HB VAL A 66 7.897 3.354 -6.257 1.00 24.43 H new ATOM 0 HG11 VAL A 66 7.770 2.769 -3.816 1.00 55.24 H new ATOM 0 HG12 VAL A 66 6.179 3.206 -4.482 1.00 55.24 H new ATOM 0 HG13 VAL A 66 6.589 1.496 -4.205 1.00 55.24 H new ATOM 0 HG21 VAL A 66 9.450 1.702 -5.144 1.00 54.54 H new ATOM 0 HG22 VAL A 66 8.340 0.388 -5.601 1.00 54.54 H new ATOM 0 HG23 VAL A 66 9.189 1.315 -6.861 1.00 54.54 H new ATOM 1003 N ARG A 67 5.434 4.146 -7.415 1.00 35.14 N ATOM 1004 CA ARG A 67 4.326 5.095 -7.350 1.00 11.52 C ATOM 1005 C ARG A 67 3.199 4.675 -8.291 1.00 0.42 C ATOM 1006 O ARG A 67 2.037 4.775 -7.900 1.00 0.14 O ATOM 1007 CB ARG A 67 4.815 6.546 -7.515 1.00 52.24 C ATOM 1008 CG ARG A 67 5.164 6.993 -8.941 1.00 60.15 C ATOM 1009 CD ARG A 67 6.154 8.172 -8.964 1.00 3.33 C ATOM 1010 NE ARG A 67 5.792 9.289 -8.065 1.00 64.23 N ATOM 1011 CZ ARG A 67 4.970 10.312 -8.326 1.00 55.02 C ATOM 1012 NH1 ARG A 67 4.235 10.336 -9.434 1.00 13.20 N ATOM 1013 NH2 ARG A 67 4.885 11.322 -7.474 1.00 21.31 N ATOM 0 H ARG A 67 6.297 4.514 -7.815 1.00 35.14 H new ATOM 0 HA ARG A 67 3.887 5.073 -6.353 1.00 11.52 H new ATOM 0 HB2 ARG A 67 4.044 7.212 -7.128 1.00 52.24 H new ATOM 0 HB3 ARG A 67 5.697 6.682 -6.889 1.00 52.24 H new ATOM 0 HG2 ARG A 67 5.592 6.153 -9.487 1.00 60.15 H new ATOM 0 HG3 ARG A 67 4.251 7.280 -9.462 1.00 60.15 H new ATOM 0 HD2 ARG A 67 7.143 7.806 -8.689 1.00 3.33 H new ATOM 0 HD3 ARG A 67 6.226 8.551 -9.984 1.00 3.33 H new ATOM 0 HE ARG A 67 6.218 9.278 -7.138 1.00 64.23 H new ATOM 0 HH11 ARG A 67 4.293 9.566 -10.101 1.00 13.20 H new ATOM 0 HH12 ARG A 67 3.614 11.124 -9.617 1.00 13.20 H new ATOM 0 HH21 ARG A 67 5.445 11.319 -6.622 1.00 21.31 H new ATOM 0 HH22 ARG A 67 4.259 12.103 -7.670 1.00 21.31 H new ATOM 1027 N ALA A 68 3.512 4.136 -9.478 1.00 12.14 N ATOM 1028 CA ALA A 68 2.485 3.630 -10.385 1.00 74.21 C ATOM 1029 C ALA A 68 1.713 2.463 -9.764 1.00 43.22 C ATOM 1030 O ALA A 68 0.495 2.385 -9.943 1.00 53.32 O ATOM 1031 CB ALA A 68 3.092 3.186 -11.716 1.00 72.33 C ATOM 0 H ALA A 68 4.466 4.042 -9.827 1.00 12.14 H new ATOM 0 HA ALA A 68 1.792 4.451 -10.566 1.00 74.21 H new ATOM 0 HB1 ALA A 68 2.303 2.814 -12.370 1.00 72.33 H new ATOM 0 HB2 ALA A 68 3.587 4.033 -12.190 1.00 72.33 H new ATOM 0 HB3 ALA A 68 3.819 2.394 -11.538 1.00 72.33 H new ATOM 1037 N LYS A 69 2.400 1.576 -9.031 1.00 21.12 N ATOM 1038 CA LYS A 69 1.794 0.458 -8.317 1.00 14.43 C ATOM 1039 C LYS A 69 0.712 0.986 -7.385 1.00 52.32 C ATOM 1040 O LYS A 69 -0.428 0.519 -7.457 1.00 31.31 O ATOM 1041 CB LYS A 69 2.867 -0.328 -7.539 1.00 43.22 C ATOM 1042 CG LYS A 69 2.357 -1.682 -7.039 1.00 63.42 C ATOM 1043 CD LYS A 69 2.492 -2.752 -8.131 1.00 4.23 C ATOM 1044 CE LYS A 69 1.847 -4.063 -7.686 1.00 72.51 C ATOM 1045 NZ LYS A 69 0.389 -4.115 -7.932 1.00 14.23 N ATOM 0 H LYS A 69 3.413 1.622 -8.919 1.00 21.12 H new ATOM 0 HA LYS A 69 1.338 -0.228 -9.031 1.00 14.43 H new ATOM 0 HB2 LYS A 69 3.734 -0.485 -8.181 1.00 43.22 H new ATOM 0 HB3 LYS A 69 3.203 0.266 -6.689 1.00 43.22 H new ATOM 0 HG2 LYS A 69 2.920 -1.984 -6.156 1.00 63.42 H new ATOM 0 HG3 LYS A 69 1.313 -1.594 -6.737 1.00 63.42 H new ATOM 0 HD2 LYS A 69 2.021 -2.403 -9.050 1.00 4.23 H new ATOM 0 HD3 LYS A 69 3.546 -2.918 -8.356 1.00 4.23 H new ATOM 0 HE2 LYS A 69 2.326 -4.891 -8.209 1.00 72.51 H new ATOM 0 HE3 LYS A 69 2.034 -4.208 -6.622 1.00 72.51 H new ATOM 0 HZ1 LYS A 69 0.015 -5.029 -7.608 1.00 14.23 H new ATOM 0 HZ2 LYS A 69 -0.079 -3.345 -7.412 1.00 14.23 H new ATOM 0 HZ3 LYS A 69 0.205 -4.007 -8.950 1.00 14.23 H new ATOM 1059 N TYR A 70 1.070 1.934 -6.517 1.00 44.13 N ATOM 1060 CA TYR A 70 0.176 2.513 -5.524 1.00 22.20 C ATOM 1061 C TYR A 70 -1.012 3.201 -6.195 1.00 4.12 C ATOM 1062 O TYR A 70 -2.161 2.898 -5.875 1.00 3.42 O ATOM 1063 CB TYR A 70 0.956 3.491 -4.641 1.00 35.00 C ATOM 1064 CG TYR A 70 0.112 4.098 -3.540 1.00 73.44 C ATOM 1065 CD1 TYR A 70 -0.252 3.320 -2.423 1.00 54.44 C ATOM 1066 CD2 TYR A 70 -0.342 5.426 -3.650 1.00 64.01 C ATOM 1067 CE1 TYR A 70 -1.044 3.880 -1.406 1.00 41.13 C ATOM 1068 CE2 TYR A 70 -1.163 5.972 -2.650 1.00 1.13 C ATOM 1069 CZ TYR A 70 -1.488 5.215 -1.504 1.00 50.31 C ATOM 1070 OH TYR A 70 -2.262 5.758 -0.525 1.00 3.43 O ATOM 0 H TYR A 70 2.011 2.326 -6.488 1.00 44.13 H new ATOM 0 HA TYR A 70 -0.223 1.716 -4.896 1.00 22.20 H new ATOM 0 HB2 TYR A 70 1.805 2.972 -4.196 1.00 35.00 H new ATOM 0 HB3 TYR A 70 1.361 4.289 -5.263 1.00 35.00 H new ATOM 0 HD1 TYR A 70 0.077 2.294 -2.348 1.00 54.44 H new ATOM 0 HD2 TYR A 70 -0.059 6.025 -4.503 1.00 64.01 H new ATOM 0 HE1 TYR A 70 -1.314 3.285 -0.546 1.00 41.13 H new ATOM 0 HE2 TYR A 70 -1.547 6.975 -2.758 1.00 1.13 H new ATOM 0 HH TYR A 70 -2.562 5.052 0.084 1.00 3.43 H new ATOM 1080 N GLU A 71 -0.740 4.063 -7.176 1.00 75.52 N ATOM 1081 CA GLU A 71 -1.752 4.809 -7.916 1.00 52.13 C ATOM 1082 C GLU A 71 -2.761 3.864 -8.567 1.00 75.31 C ATOM 1083 O GLU A 71 -3.977 4.079 -8.492 1.00 54.05 O ATOM 1084 CB GLU A 71 -1.049 5.658 -8.986 1.00 73.53 C ATOM 1085 CG GLU A 71 -0.305 6.856 -8.387 1.00 62.53 C ATOM 1086 CD GLU A 71 -1.255 8.021 -8.139 1.00 53.03 C ATOM 1087 OE1 GLU A 71 -2.014 7.985 -7.140 1.00 44.24 O ATOM 1088 OE2 GLU A 71 -1.293 8.949 -8.981 1.00 33.51 O ATOM 0 H GLU A 71 0.212 4.264 -7.483 1.00 75.52 H new ATOM 0 HA GLU A 71 -2.300 5.453 -7.229 1.00 52.13 H new ATOM 0 HB2 GLU A 71 -0.344 5.034 -9.535 1.00 73.53 H new ATOM 0 HB3 GLU A 71 -1.787 6.015 -9.705 1.00 73.53 H new ATOM 0 HG2 GLU A 71 0.169 6.563 -7.450 1.00 62.53 H new ATOM 0 HG3 GLU A 71 0.491 7.169 -9.063 1.00 62.53 H new ATOM 1095 N GLY A 72 -2.271 2.797 -9.203 1.00 15.04 N ATOM 1096 CA GLY A 72 -3.094 1.789 -9.851 1.00 14.10 C ATOM 1097 C GLY A 72 -4.040 1.123 -8.857 1.00 23.50 C ATOM 1098 O GLY A 72 -5.177 0.777 -9.196 1.00 52.31 O ATOM 0 H GLY A 72 -1.271 2.612 -9.280 1.00 15.04 H new ATOM 0 HA2 GLY A 72 -3.671 2.249 -10.654 1.00 14.10 H new ATOM 0 HA3 GLY A 72 -2.455 1.034 -10.310 1.00 14.10 H new ATOM 1102 N LEU A 73 -3.597 0.988 -7.609 1.00 54.45 N ATOM 1103 CA LEU A 73 -4.246 0.194 -6.587 1.00 13.10 C ATOM 1104 C LEU A 73 -5.577 0.755 -6.121 1.00 35.04 C ATOM 1105 O LEU A 73 -6.317 0.011 -5.485 1.00 63.31 O ATOM 1106 CB LEU A 73 -3.308 0.060 -5.383 1.00 33.00 C ATOM 1107 CG LEU A 73 -3.233 -1.340 -4.753 1.00 73.25 C ATOM 1108 CD1 LEU A 73 -2.829 -2.437 -5.750 1.00 64.24 C ATOM 1109 CD2 LEU A 73 -2.072 -1.234 -3.760 1.00 43.41 C ATOM 0 H LEU A 73 -2.748 1.446 -7.278 1.00 54.45 H new ATOM 0 HA LEU A 73 -4.460 -0.775 -7.038 1.00 13.10 H new ATOM 0 HB2 LEU A 73 -2.305 0.354 -5.692 1.00 33.00 H new ATOM 0 HB3 LEU A 73 -3.626 0.767 -4.617 1.00 33.00 H new ATOM 0 HG LEU A 73 -4.207 -1.606 -4.342 1.00 73.25 H new ATOM 0 HD11 LEU A 73 -2.796 -3.399 -5.239 1.00 64.24 H new ATOM 0 HD12 LEU A 73 -3.559 -2.481 -6.558 1.00 64.24 H new ATOM 0 HD13 LEU A 73 -1.845 -2.210 -6.161 1.00 64.24 H new ATOM 0 HD21 LEU A 73 -1.937 -2.190 -3.255 1.00 43.41 H new ATOM 0 HD22 LEU A 73 -1.158 -0.974 -4.295 1.00 43.41 H new ATOM 0 HD23 LEU A 73 -2.293 -0.462 -3.023 1.00 43.41 H new ATOM 1121 N MET A 74 -5.921 2.014 -6.413 1.00 53.55 N ATOM 1122 CA MET A 74 -7.216 2.559 -6.006 1.00 60.31 C ATOM 1123 C MET A 74 -8.361 1.695 -6.550 1.00 15.44 C ATOM 1124 O MET A 74 -9.264 1.327 -5.794 1.00 63.32 O ATOM 1125 CB MET A 74 -7.351 4.032 -6.426 1.00 71.42 C ATOM 1126 CG MET A 74 -8.743 4.558 -6.043 1.00 35.21 C ATOM 1127 SD MET A 74 -8.972 6.351 -6.116 1.00 20.30 S ATOM 1128 CE MET A 74 -8.082 6.836 -4.615 1.00 74.01 C ATOM 0 H MET A 74 -5.327 2.667 -6.924 1.00 53.55 H new ATOM 0 HA MET A 74 -7.277 2.532 -4.918 1.00 60.31 H new ATOM 0 HB2 MET A 74 -6.580 4.630 -5.940 1.00 71.42 H new ATOM 0 HB3 MET A 74 -7.199 4.128 -7.501 1.00 71.42 H new ATOM 0 HG2 MET A 74 -9.477 4.093 -6.701 1.00 35.21 H new ATOM 0 HG3 MET A 74 -8.967 4.226 -5.029 1.00 35.21 H new ATOM 0 HE1 MET A 74 -8.580 7.690 -4.157 1.00 74.01 H new ATOM 0 HE2 MET A 74 -8.071 6.002 -3.913 1.00 74.01 H new ATOM 0 HE3 MET A 74 -7.058 7.108 -4.871 1.00 74.01 H new ATOM 1138 N ALA A 75 -8.325 1.350 -7.840 1.00 40.01 N ATOM 1139 CA ALA A 75 -9.397 0.557 -8.428 1.00 0.35 C ATOM 1140 C ALA A 75 -9.273 -0.917 -8.021 1.00 43.01 C ATOM 1141 O ALA A 75 -10.293 -1.589 -7.880 1.00 51.13 O ATOM 1142 CB ALA A 75 -9.400 0.727 -9.946 1.00 4.23 C ATOM 0 H ALA A 75 -7.576 1.604 -8.485 1.00 40.01 H new ATOM 0 HA ALA A 75 -10.353 0.915 -8.046 1.00 0.35 H new ATOM 0 HB1 ALA A 75 -10.204 0.131 -10.377 1.00 4.23 H new ATOM 0 HB2 ALA A 75 -9.553 1.777 -10.194 1.00 4.23 H new ATOM 0 HB3 ALA A 75 -8.444 0.394 -10.351 1.00 4.23 H new ATOM 1148 N VAL A 76 -8.052 -1.422 -7.809 1.00 2.23 N ATOM 1149 CA VAL A 76 -7.818 -2.796 -7.365 1.00 75.34 C ATOM 1150 C VAL A 76 -8.419 -2.984 -5.975 1.00 61.41 C ATOM 1151 O VAL A 76 -9.103 -3.972 -5.720 1.00 64.13 O ATOM 1152 CB VAL A 76 -6.313 -3.117 -7.339 1.00 23.35 C ATOM 1153 CG1 VAL A 76 -6.065 -4.589 -7.003 1.00 41.41 C ATOM 1154 CG2 VAL A 76 -5.622 -2.812 -8.677 1.00 35.52 C ATOM 0 H VAL A 76 -7.196 -0.884 -7.942 1.00 2.23 H new ATOM 0 HA VAL A 76 -8.295 -3.480 -8.067 1.00 75.34 H new ATOM 0 HB VAL A 76 -5.890 -2.475 -6.566 1.00 23.35 H new ATOM 0 HG11 VAL A 76 -4.993 -4.784 -6.992 1.00 41.41 H new ATOM 0 HG12 VAL A 76 -6.485 -4.814 -6.022 1.00 41.41 H new ATOM 0 HG13 VAL A 76 -6.541 -5.219 -7.755 1.00 41.41 H new ATOM 0 HG21 VAL A 76 -4.562 -3.057 -8.603 1.00 35.52 H new ATOM 0 HG22 VAL A 76 -6.078 -3.409 -9.467 1.00 35.52 H new ATOM 0 HG23 VAL A 76 -5.735 -1.754 -8.912 1.00 35.52 H new ATOM 1164 N ALA A 77 -8.179 -2.021 -5.082 1.00 32.23 N ATOM 1165 CA ALA A 77 -8.667 -2.019 -3.720 1.00 0.45 C ATOM 1166 C ALA A 77 -10.183 -2.242 -3.731 1.00 62.23 C ATOM 1167 O ALA A 77 -10.705 -3.117 -3.048 1.00 71.30 O ATOM 1168 CB ALA A 77 -8.316 -0.680 -3.060 1.00 24.11 C ATOM 0 H ALA A 77 -7.620 -1.198 -5.305 1.00 32.23 H new ATOM 0 HA ALA A 77 -8.200 -2.821 -3.148 1.00 0.45 H new ATOM 0 HB1 ALA A 77 -8.682 -0.674 -2.033 1.00 24.11 H new ATOM 0 HB2 ALA A 77 -7.234 -0.547 -3.061 1.00 24.11 H new ATOM 0 HB3 ALA A 77 -8.782 0.133 -3.616 1.00 24.11 H new ATOM 1174 N LYS A 78 -10.877 -1.444 -4.546 1.00 2.42 N ATOM 1175 CA LYS A 78 -12.322 -1.474 -4.712 1.00 44.53 C ATOM 1176 C LYS A 78 -12.823 -2.747 -5.378 1.00 31.41 C ATOM 1177 O LYS A 78 -13.909 -3.201 -5.009 1.00 54.23 O ATOM 1178 CB LYS A 78 -12.751 -0.236 -5.502 1.00 55.52 C ATOM 1179 CG LYS A 78 -12.728 1.014 -4.608 1.00 73.01 C ATOM 1180 CD LYS A 78 -13.433 2.188 -5.289 1.00 75.41 C ATOM 1181 CE LYS A 78 -14.953 1.973 -5.323 1.00 22.01 C ATOM 1182 NZ LYS A 78 -15.551 2.636 -6.492 1.00 20.31 N ATOM 0 H LYS A 78 -10.427 -0.736 -5.126 1.00 2.42 H new ATOM 0 HA LYS A 78 -12.775 -1.466 -3.721 1.00 44.53 H new ATOM 0 HB2 LYS A 78 -12.085 -0.093 -6.353 1.00 55.52 H new ATOM 0 HB3 LYS A 78 -13.754 -0.384 -5.903 1.00 55.52 H new ATOM 0 HG2 LYS A 78 -13.215 0.795 -3.658 1.00 73.01 H new ATOM 0 HG3 LYS A 78 -11.697 1.286 -4.383 1.00 73.01 H new ATOM 0 HD2 LYS A 78 -13.205 3.112 -4.757 1.00 75.41 H new ATOM 0 HD3 LYS A 78 -13.056 2.303 -6.305 1.00 75.41 H new ATOM 0 HE2 LYS A 78 -15.173 0.906 -5.353 1.00 22.01 H new ATOM 0 HE3 LYS A 78 -15.400 2.365 -4.409 1.00 22.01 H new ATOM 0 HZ1 LYS A 78 -16.579 2.477 -6.493 1.00 20.31 H new ATOM 0 HZ2 LYS A 78 -15.359 3.657 -6.448 1.00 20.31 H new ATOM 0 HZ3 LYS A 78 -15.139 2.244 -7.362 1.00 20.31 H new ATOM 1196 N ALA A 79 -12.079 -3.318 -6.328 1.00 35.21 N ATOM 1197 CA ALA A 79 -12.416 -4.618 -6.889 1.00 13.44 C ATOM 1198 C ALA A 79 -12.430 -5.644 -5.756 1.00 35.22 C ATOM 1199 O ALA A 79 -13.453 -6.297 -5.548 1.00 41.42 O ATOM 1200 CB ALA A 79 -11.442 -5.002 -8.010 1.00 54.34 C ATOM 0 H ALA A 79 -11.238 -2.895 -6.722 1.00 35.21 H new ATOM 0 HA ALA A 79 -13.405 -4.585 -7.346 1.00 13.44 H new ATOM 0 HB1 ALA A 79 -11.716 -5.977 -8.412 1.00 54.34 H new ATOM 0 HB2 ALA A 79 -11.489 -4.256 -8.804 1.00 54.34 H new ATOM 0 HB3 ALA A 79 -10.428 -5.046 -7.612 1.00 54.34 H new ATOM 1206 N GLN A 80 -11.343 -5.717 -4.979 1.00 54.24 N ATOM 1207 CA GLN A 80 -11.172 -6.743 -3.959 1.00 31.43 C ATOM 1208 C GLN A 80 -12.194 -6.636 -2.821 1.00 0.22 C ATOM 1209 O GLN A 80 -12.503 -7.638 -2.191 1.00 11.41 O ATOM 1210 CB GLN A 80 -9.734 -6.714 -3.418 1.00 63.41 C ATOM 1211 CG GLN A 80 -8.748 -7.328 -4.433 1.00 24.44 C ATOM 1212 CD GLN A 80 -7.352 -7.584 -3.864 1.00 61.12 C ATOM 1213 OE1 GLN A 80 -7.185 -7.899 -2.690 1.00 33.32 O ATOM 1214 NE2 GLN A 80 -6.308 -7.469 -4.674 1.00 21.11 N ATOM 0 H GLN A 80 -10.562 -5.065 -5.044 1.00 54.24 H new ATOM 0 HA GLN A 80 -11.356 -7.705 -4.437 1.00 31.43 H new ATOM 0 HB2 GLN A 80 -9.444 -5.686 -3.201 1.00 63.41 H new ATOM 0 HB3 GLN A 80 -9.684 -7.265 -2.479 1.00 63.41 H new ATOM 0 HG2 GLN A 80 -9.158 -8.269 -4.800 1.00 24.44 H new ATOM 0 HG3 GLN A 80 -8.663 -6.661 -5.291 1.00 24.44 H new ATOM 0 HE21 GLN A 80 -6.446 -7.207 -5.650 1.00 21.11 H new ATOM 0 HE22 GLN A 80 -5.367 -7.642 -4.321 1.00 21.11 H new ATOM 1223 N LEU A 81 -12.741 -5.456 -2.532 1.00 52.30 N ATOM 1224 CA LEU A 81 -13.764 -5.266 -1.496 1.00 10.14 C ATOM 1225 C LEU A 81 -15.155 -5.669 -1.976 1.00 51.23 C ATOM 1226 O LEU A 81 -16.047 -5.873 -1.154 1.00 11.13 O ATOM 1227 CB LEU A 81 -13.865 -3.765 -1.169 1.00 64.14 C ATOM 1228 CG LEU A 81 -12.671 -3.188 -0.409 1.00 44.21 C ATOM 1229 CD1 LEU A 81 -12.599 -1.677 -0.616 1.00 24.41 C ATOM 1230 CD2 LEU A 81 -12.761 -3.482 1.087 1.00 33.01 C ATOM 0 H LEU A 81 -12.486 -4.594 -3.014 1.00 52.30 H new ATOM 0 HA LEU A 81 -13.468 -5.879 -0.645 1.00 10.14 H new ATOM 0 HB2 LEU A 81 -13.985 -3.213 -2.101 1.00 64.14 H new ATOM 0 HB3 LEU A 81 -14.767 -3.597 -0.581 1.00 64.14 H new ATOM 0 HG LEU A 81 -11.772 -3.664 -0.802 1.00 44.21 H new ATOM 0 HD11 LEU A 81 -11.745 -1.275 -0.071 1.00 24.41 H new ATOM 0 HD12 LEU A 81 -12.486 -1.460 -1.678 1.00 24.41 H new ATOM 0 HD13 LEU A 81 -13.515 -1.215 -0.247 1.00 24.41 H new ATOM 0 HD21 LEU A 81 -11.895 -3.056 1.594 1.00 33.01 H new ATOM 0 HD22 LEU A 81 -13.672 -3.039 1.491 1.00 33.01 H new ATOM 0 HD23 LEU A 81 -12.781 -4.560 1.245 1.00 33.01 H new ATOM 1242 N MET A 82 -15.395 -5.696 -3.285 1.00 3.23 N ATOM 1243 CA MET A 82 -16.630 -6.236 -3.826 1.00 75.02 C ATOM 1244 C MET A 82 -16.485 -7.731 -4.072 1.00 41.11 C ATOM 1245 O MET A 82 -17.478 -8.447 -3.998 1.00 63.41 O ATOM 1246 CB MET A 82 -16.954 -5.492 -5.116 1.00 52.23 C ATOM 1247 CG MET A 82 -17.282 -4.039 -4.780 1.00 42.34 C ATOM 1248 SD MET A 82 -18.943 -3.769 -4.108 1.00 4.45 S ATOM 1249 CE MET A 82 -18.743 -2.087 -3.473 1.00 12.13 C ATOM 0 H MET A 82 -14.745 -5.348 -3.989 1.00 3.23 H new ATOM 0 HA MET A 82 -17.447 -6.100 -3.118 1.00 75.02 H new ATOM 0 HB2 MET A 82 -16.107 -5.539 -5.801 1.00 52.23 H new ATOM 0 HB3 MET A 82 -17.798 -5.962 -5.620 1.00 52.23 H new ATOM 0 HG2 MET A 82 -16.550 -3.674 -4.059 1.00 42.34 H new ATOM 0 HG3 MET A 82 -17.168 -3.438 -5.682 1.00 42.34 H new ATOM 0 HE1 MET A 82 -19.677 -1.756 -3.020 1.00 12.13 H new ATOM 0 HE2 MET A 82 -17.951 -2.073 -2.724 1.00 12.13 H new ATOM 0 HE3 MET A 82 -18.480 -1.418 -4.292 1.00 12.13 H new ATOM 1259 N ASP A 83 -15.271 -8.203 -4.344 1.00 0.15 N ATOM 1260 CA ASP A 83 -14.958 -9.606 -4.580 1.00 72.03 C ATOM 1261 C ASP A 83 -14.820 -10.395 -3.276 1.00 34.12 C ATOM 1262 O ASP A 83 -15.002 -11.606 -3.285 1.00 62.13 O ATOM 1263 CB ASP A 83 -13.656 -9.669 -5.369 1.00 11.15 C ATOM 1264 CG ASP A 83 -13.287 -11.099 -5.739 1.00 60.21 C ATOM 1265 OD1 ASP A 83 -13.657 -11.539 -6.851 1.00 40.12 O ATOM 1266 OD2 ASP A 83 -12.509 -11.725 -4.989 1.00 15.41 O ATOM 0 H ASP A 83 -14.453 -7.598 -4.408 1.00 0.15 H new ATOM 0 HA ASP A 83 -15.777 -10.062 -5.137 1.00 72.03 H new ATOM 0 HB2 ASP A 83 -13.752 -9.072 -6.276 1.00 11.15 H new ATOM 0 HB3 ASP A 83 -12.852 -9.227 -4.780 1.00 11.15 H new ATOM 1271 N GLU A 84 -14.538 -9.732 -2.149 1.00 30.25 N ATOM 1272 CA GLU A 84 -14.429 -10.387 -0.843 1.00 73.30 C ATOM 1273 C GLU A 84 -15.767 -10.939 -0.328 1.00 73.01 C ATOM 1274 O GLU A 84 -15.788 -11.735 0.611 1.00 12.23 O ATOM 1275 CB GLU A 84 -13.776 -9.430 0.163 1.00 70.10 C ATOM 1276 CG GLU A 84 -14.701 -8.341 0.674 1.00 25.34 C ATOM 1277 CD GLU A 84 -14.197 -7.754 1.986 1.00 74.30 C ATOM 1278 OE1 GLU A 84 -13.278 -6.904 1.944 1.00 2.15 O ATOM 1279 OE2 GLU A 84 -14.740 -8.123 3.058 1.00 4.54 O ATOM 0 H GLU A 84 -14.379 -8.725 -2.118 1.00 30.25 H new ATOM 0 HA GLU A 84 -13.790 -11.262 -0.965 1.00 73.30 H new ATOM 0 HB2 GLU A 84 -13.409 -10.007 1.011 1.00 70.10 H new ATOM 0 HB3 GLU A 84 -12.909 -8.965 -0.305 1.00 70.10 H new ATOM 0 HG2 GLU A 84 -14.782 -7.551 -0.072 1.00 25.34 H new ATOM 0 HG3 GLU A 84 -15.702 -8.749 0.817 1.00 25.34 H new ATOM 1286 N LEU A 85 -16.875 -10.451 -0.882 1.00 14.12 N ATOM 1287 CA LEU A 85 -18.226 -10.894 -0.574 1.00 31.21 C ATOM 1288 C LEU A 85 -18.411 -12.237 -1.240 1.00 13.22 C ATOM 1289 O LEU A 85 -18.511 -13.240 -0.501 1.00 25.43 O ATOM 1290 CB LEU A 85 -19.247 -9.852 -1.062 1.00 4.41 C ATOM 1291 CG LEU A 85 -19.376 -8.702 -0.047 1.00 63.03 C ATOM 1292 CD1 LEU A 85 -19.689 -7.364 -0.716 1.00 4.41 C ATOM 1293 CD2 LEU A 85 -20.462 -9.026 0.982 1.00 5.42 C ATOM 0 H LEU A 85 -16.852 -9.710 -1.582 1.00 14.12 H new ATOM 0 HA LEU A 85 -18.384 -10.997 0.500 1.00 31.21 H new ATOM 0 HB2 LEU A 85 -18.937 -9.457 -2.030 1.00 4.41 H new ATOM 0 HB3 LEU A 85 -20.218 -10.326 -1.207 1.00 4.41 H new ATOM 0 HG LEU A 85 -18.409 -8.605 0.448 1.00 63.03 H new ATOM 0 HD11 LEU A 85 -19.770 -6.587 0.044 1.00 4.41 H new ATOM 0 HD12 LEU A 85 -18.890 -7.109 -1.412 1.00 4.41 H new ATOM 0 HD13 LEU A 85 -20.631 -7.440 -1.258 1.00 4.41 H new ATOM 0 HD21 LEU A 85 -20.544 -8.205 1.695 1.00 5.42 H new ATOM 0 HD22 LEU A 85 -21.416 -9.162 0.473 1.00 5.42 H new ATOM 0 HD23 LEU A 85 -20.200 -9.942 1.512 1.00 5.42 H new TER 1305 LEU A 85