USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 812 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 22 HIS : no HD1:sc= -1.54 K(o=-1.6,f=-3.3) USER MOD Set 1.2: A 81 SER OG : rot -120:sc= -0.0645 USER MOD Set 2.1: A 28 LYS NZ :NH3+ 156:sc= -2.1! (180deg=-2.05) USER MOD Set 2.2: A 29 ASN :FLIP amide:sc= -7.22! C(o=-16!,f=-15!) USER MOD Set 2.3: A 74 GLN :FLIP amide:sc= -5.38! C(o=-27!,f=-15!) USER MOD Set 3.1: A 36 HIS : no HE2:sc= -8.69! C(o=-23!,f=-29!) USER MOD Set 3.2: A 66 GLN :FLIP amide:sc= -14.3! C(o=-29!,f=-23!) USER MOD Set 4.1: A 45 HIS : no HE2:sc= 0.237 K(o=0.17,f=-1.1) USER MOD Set 4.2: A 48 MET CE :methyl -157:sc= -0.0697 (180deg=-1.09) USER MOD Set 5.1: A 35 HIS :FLIP no HD1:sc= -1.57 F(o=-3.3,f=-2.1) USER MOD Set 5.2: A 39 ASN :FLIP amide:sc= -0.577 F(o=-4.2,f=-2.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.65! (180deg=-0.938!) USER MOD Single : A 2 TYR OH : rot -70:sc= 0.155 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.364 F(o=-1.2!,f=-0.36) USER MOD Single : A 13 GLN :FLIP amide:sc= -0.0158 F(o=-1!,f=-0.016) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -2.13 X(o=-2.1,f=-2.6!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 24 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.83) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0138 F(o=-0.78,f=-0.014) USER MOD Single : A 30 MET CE :methyl -123:sc= -0.105 (180deg=-2.23!) USER MOD Single : A 31 ASN :FLIP amide:sc= -3.91! C(o=-9.8!,f=-3.9!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.0314 F(o=-1.3!,f=-0.031) USER MOD Single : A 49 GLN : amide:sc= -7.86! C(o=-7.9!,f=-14!) USER MOD Single : A 53 SER OG : rot 68:sc= 0.157 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.666 F(o=-2.7,f=-0.67) USER MOD Single : A 60 MET CE :methyl 157:sc= -3.09 (180deg=-4.09) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= -0.247 (180deg=-0.98) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.887 F(o=-2.5!,f=-0.89) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.103 K(o=-0.1,f=-2.2!) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.146 F(o=-0.8,f=-0.15) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.474 F(o=-1.6!,f=-0.47) USER MOD Single : A 83 HIS : no HD1:sc= -0.339 K(o=-0.34,f=-1.2) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS :FLIP no HD1:sc= -1.38 F(o=-2.2!,f=-1.4) USER MOD Single : A 88 ASN : amide:sc= -0.671 K(o=-0.67,f=-2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.12) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.913 -19.154 -11.254 1.00 0.00 N ATOM 2 CA MET A 1 3.016 -18.417 -10.319 1.00 0.00 C ATOM 3 C MET A 1 2.127 -17.461 -11.115 1.00 0.00 C ATOM 4 O MET A 1 2.443 -17.084 -12.226 1.00 0.00 O ATOM 5 CB MET A 1 3.862 -17.621 -9.322 1.00 0.00 C ATOM 6 CG MET A 1 4.505 -16.428 -10.032 1.00 0.00 C ATOM 7 SD MET A 1 5.426 -17.008 -11.479 1.00 0.00 S ATOM 8 CE MET A 1 6.298 -15.460 -11.829 1.00 0.00 C ATOM 0 H1 MET A 1 4.408 -19.909 -10.738 1.00 0.00 H new ATOM 0 H2 MET A 1 3.348 -19.572 -12.021 1.00 0.00 H new ATOM 0 H3 MET A 1 4.610 -18.496 -11.657 1.00 0.00 H new ATOM 0 HA MET A 1 2.391 -19.127 -9.777 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.240 -17.274 -8.497 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.633 -18.260 -8.892 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.738 -15.717 -10.338 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.173 -15.902 -9.350 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.937 -15.592 -12.702 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.573 -14.671 -12.026 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.909 -15.185 -10.970 1.00 0.00 H new ATOM 20 N TYR A 2 1.015 -17.067 -10.558 1.00 0.00 N ATOM 21 CA TYR A 2 0.107 -16.136 -11.286 1.00 0.00 C ATOM 22 C TYR A 2 0.929 -15.014 -11.922 1.00 0.00 C ATOM 23 O TYR A 2 0.987 -14.880 -13.128 1.00 0.00 O ATOM 24 CB TYR A 2 -0.902 -15.536 -10.303 1.00 0.00 C ATOM 25 CG TYR A 2 -0.691 -16.139 -8.937 1.00 0.00 C ATOM 26 CD1 TYR A 2 0.479 -15.857 -8.220 1.00 0.00 C ATOM 27 CD2 TYR A 2 -1.663 -16.982 -8.385 1.00 0.00 C ATOM 28 CE1 TYR A 2 0.677 -16.416 -6.954 1.00 0.00 C ATOM 29 CE2 TYR A 2 -1.464 -17.541 -7.117 1.00 0.00 C ATOM 30 CZ TYR A 2 -0.295 -17.258 -6.401 1.00 0.00 C ATOM 31 OH TYR A 2 -0.099 -17.810 -5.153 1.00 0.00 O ATOM 0 H TYR A 2 0.696 -17.349 -9.631 1.00 0.00 H new ATOM 0 HA TYR A 2 -0.425 -16.682 -12.065 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.782 -14.454 -10.257 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.919 -15.730 -10.645 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.229 -15.207 -8.646 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -2.565 -17.201 -8.937 1.00 0.00 H new ATOM 0 HE1 TYR A 2 1.580 -16.198 -6.403 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.213 -18.191 -6.691 1.00 0.00 H new ATOM 0 HH TYR A 2 0.608 -18.487 -5.202 1.00 0.00 H new ATOM 41 N GLY A 3 1.560 -14.201 -11.119 1.00 0.00 N ATOM 42 CA GLY A 3 2.373 -13.084 -11.675 1.00 0.00 C ATOM 43 C GLY A 3 1.592 -11.778 -11.528 1.00 0.00 C ATOM 44 O GLY A 3 2.118 -10.700 -11.720 1.00 0.00 O ATOM 0 H GLY A 3 1.547 -14.263 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.326 -13.014 -11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.601 -13.270 -12.725 1.00 0.00 H new ATOM 48 N LYS A 4 0.337 -11.871 -11.186 1.00 0.00 N ATOM 49 CA LYS A 4 -0.486 -10.641 -11.023 1.00 0.00 C ATOM 50 C LYS A 4 0.067 -9.807 -9.868 1.00 0.00 C ATOM 51 O LYS A 4 0.005 -8.594 -9.884 1.00 0.00 O ATOM 52 CB LYS A 4 -1.933 -11.035 -10.730 1.00 0.00 C ATOM 53 CG LYS A 4 -2.386 -12.090 -11.742 1.00 0.00 C ATOM 54 CD LYS A 4 -3.915 -12.117 -11.806 1.00 0.00 C ATOM 55 CE LYS A 4 -4.367 -13.077 -12.910 1.00 0.00 C ATOM 56 NZ LYS A 4 -5.794 -13.443 -12.692 1.00 0.00 N ATOM 0 H LYS A 4 -0.155 -12.748 -11.012 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.451 -10.052 -11.940 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.017 -11.427 -9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.579 -10.159 -10.787 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.975 -11.865 -12.726 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.007 -13.071 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.324 -12.433 -10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.298 -11.116 -12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.245 -12.609 -13.887 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.745 -13.972 -12.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.103 -14.095 -13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.896 -13.905 -11.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.380 -12.584 -12.717 1.00 0.00 H new ATOM 70 N LEU A 5 0.619 -10.435 -8.868 1.00 0.00 N ATOM 71 CA LEU A 5 1.179 -9.650 -7.734 1.00 0.00 C ATOM 72 C LEU A 5 1.883 -8.424 -8.309 1.00 0.00 C ATOM 73 O LEU A 5 1.547 -7.299 -7.996 1.00 0.00 O ATOM 74 CB LEU A 5 2.194 -10.494 -6.956 1.00 0.00 C ATOM 75 CG LEU A 5 1.533 -11.737 -6.333 1.00 0.00 C ATOM 76 CD1 LEU A 5 0.022 -11.546 -6.168 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.797 -12.951 -7.220 1.00 0.00 C ATOM 0 H LEU A 5 0.706 -11.448 -8.787 1.00 0.00 H new ATOM 0 HA LEU A 5 0.377 -9.355 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.999 -10.804 -7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.646 -9.889 -6.170 1.00 0.00 H new ATOM 0 HG LEU A 5 1.965 -11.891 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.412 -12.443 -5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.168 -10.692 -5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.431 -11.367 -7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.329 -13.832 -6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.379 -12.775 -8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.872 -13.114 -7.303 1.00 0.00 H new ATOM 89 N ASN A 6 2.849 -8.633 -9.163 1.00 0.00 N ATOM 90 CA ASN A 6 3.560 -7.478 -9.773 1.00 0.00 C ATOM 91 C ASN A 6 2.537 -6.380 -10.064 1.00 0.00 C ATOM 92 O ASN A 6 2.776 -5.215 -9.822 1.00 0.00 O ATOM 93 CB ASN A 6 4.230 -7.921 -11.076 1.00 0.00 C ATOM 94 CG ASN A 6 5.698 -7.487 -11.068 1.00 0.00 C ATOM 95 OD1 ASN A 6 6.370 -7.522 -9.950 1.00 0.00 O flip ATOM 96 ND2 ASN A 6 6.238 -7.115 -12.090 1.00 0.00 N flip ATOM 0 H ASN A 6 3.174 -9.552 -9.463 1.00 0.00 H new ATOM 0 HA ASN A 6 4.325 -7.103 -9.093 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.160 -9.003 -11.184 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.714 -7.482 -11.930 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.712 -7.088 -12.964 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.217 -6.830 -12.075 1.00 0.00 H new ATOM 103 N ASP A 7 1.387 -6.749 -10.566 1.00 0.00 N ATOM 104 CA ASP A 7 0.347 -5.724 -10.848 1.00 0.00 C ATOM 105 C ASP A 7 -0.049 -5.073 -9.523 1.00 0.00 C ATOM 106 O ASP A 7 -0.253 -3.879 -9.440 1.00 0.00 O ATOM 107 CB ASP A 7 -0.876 -6.388 -11.486 1.00 0.00 C ATOM 108 CG ASP A 7 -1.143 -5.761 -12.857 1.00 0.00 C ATOM 109 OD1 ASP A 7 -0.271 -5.846 -13.705 1.00 0.00 O ATOM 110 OD2 ASP A 7 -2.217 -5.210 -13.035 1.00 0.00 O ATOM 0 H ASP A 7 1.127 -7.709 -10.790 1.00 0.00 H new ATOM 0 HA ASP A 7 0.733 -4.973 -11.537 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.707 -7.460 -11.591 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.747 -6.264 -10.842 1.00 0.00 H new ATOM 115 N LEU A 8 -0.137 -5.855 -8.479 1.00 0.00 N ATOM 116 CA LEU A 8 -0.491 -5.292 -7.146 1.00 0.00 C ATOM 117 C LEU A 8 0.726 -4.550 -6.596 1.00 0.00 C ATOM 118 O LEU A 8 0.630 -3.450 -6.090 1.00 0.00 O ATOM 119 CB LEU A 8 -0.846 -6.436 -6.189 1.00 0.00 C ATOM 120 CG LEU A 8 -2.359 -6.512 -5.984 1.00 0.00 C ATOM 121 CD1 LEU A 8 -2.864 -5.200 -5.379 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.047 -6.766 -7.328 1.00 0.00 C ATOM 0 H LEU A 8 0.022 -6.862 -8.494 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.341 -4.616 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.479 -7.381 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.350 -6.283 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.591 -7.331 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.943 -5.258 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.377 -5.031 -4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.632 -4.375 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.126 -6.820 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.815 -5.952 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.691 -7.707 -7.747 1.00 0.00 H new ATOM 134 N LEU A 9 1.874 -5.161 -6.693 1.00 0.00 N ATOM 135 CA LEU A 9 3.121 -4.525 -6.185 1.00 0.00 C ATOM 136 C LEU A 9 3.470 -3.305 -7.039 1.00 0.00 C ATOM 137 O LEU A 9 3.526 -2.192 -6.558 1.00 0.00 O ATOM 138 CB LEU A 9 4.264 -5.538 -6.271 1.00 0.00 C ATOM 139 CG LEU A 9 5.571 -4.874 -5.840 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.406 -5.864 -5.027 1.00 0.00 C ATOM 141 CD2 LEU A 9 6.358 -4.446 -7.083 1.00 0.00 C ATOM 0 H LEU A 9 2.002 -6.084 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 9 2.972 -4.210 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.052 -6.396 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.354 -5.914 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 9 5.348 -4.000 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.338 -5.389 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.847 -6.171 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.629 -6.739 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.291 -3.972 -6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.579 -5.322 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.765 -3.739 -7.664 1.00 0.00 H new ATOM 153 N GLU A 10 3.716 -3.513 -8.303 1.00 0.00 N ATOM 154 CA GLU A 10 4.076 -2.374 -9.194 1.00 0.00 C ATOM 155 C GLU A 10 3.031 -1.265 -9.069 1.00 0.00 C ATOM 156 O GLU A 10 3.341 -0.095 -9.172 1.00 0.00 O ATOM 157 CB GLU A 10 4.126 -2.863 -10.642 1.00 0.00 C ATOM 158 CG GLU A 10 4.995 -1.918 -11.474 1.00 0.00 C ATOM 159 CD GLU A 10 4.599 -2.025 -12.947 1.00 0.00 C ATOM 160 OE1 GLU A 10 4.886 -3.049 -13.544 1.00 0.00 O ATOM 161 OE2 GLU A 10 4.015 -1.081 -13.454 1.00 0.00 O ATOM 0 H GLU A 10 3.683 -4.425 -8.758 1.00 0.00 H new ATOM 0 HA GLU A 10 5.050 -1.982 -8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.531 -3.874 -10.681 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.119 -2.907 -11.057 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.871 -0.892 -11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.048 -2.171 -11.350 1.00 0.00 H new ATOM 168 N ASP A 11 1.796 -1.618 -8.854 1.00 0.00 N ATOM 169 CA ASP A 11 0.739 -0.577 -8.732 1.00 0.00 C ATOM 170 C ASP A 11 0.729 -0.019 -7.308 1.00 0.00 C ATOM 171 O ASP A 11 0.382 1.124 -7.085 1.00 0.00 O ATOM 172 CB ASP A 11 -0.624 -1.194 -9.048 1.00 0.00 C ATOM 173 CG ASP A 11 -0.641 -1.671 -10.501 1.00 0.00 C ATOM 174 OD1 ASP A 11 0.417 -2.009 -11.006 1.00 0.00 O ATOM 175 OD2 ASP A 11 -1.713 -1.689 -11.084 1.00 0.00 O ATOM 0 H ASP A 11 1.473 -2.581 -8.758 1.00 0.00 H new ATOM 0 HA ASP A 11 0.944 0.230 -9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.822 -2.030 -8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.414 -0.461 -8.885 1.00 0.00 H new ATOM 180 N LEU A 12 1.100 -0.814 -6.342 1.00 0.00 N ATOM 181 CA LEU A 12 1.104 -0.321 -4.938 1.00 0.00 C ATOM 182 C LEU A 12 2.282 0.635 -4.734 1.00 0.00 C ATOM 183 O LEU A 12 2.126 1.724 -4.217 1.00 0.00 O ATOM 184 CB LEU A 12 1.234 -1.510 -3.987 1.00 0.00 C ATOM 185 CG LEU A 12 1.615 -1.015 -2.591 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.593 0.017 -2.112 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.631 -2.199 -1.622 1.00 0.00 C ATOM 0 H LEU A 12 1.400 -1.781 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 12 0.174 0.209 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.293 -2.058 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.990 -2.203 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 12 2.602 -0.555 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.868 0.367 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.577 0.861 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.396 -0.440 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.902 -1.850 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.642 -2.656 -1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.360 -2.936 -1.959 1.00 0.00 H new ATOM 199 N GLN A 13 3.460 0.243 -5.134 1.00 0.00 N ATOM 200 CA GLN A 13 4.638 1.138 -4.958 1.00 0.00 C ATOM 201 C GLN A 13 4.406 2.440 -5.729 1.00 0.00 C ATOM 202 O GLN A 13 4.936 3.478 -5.387 1.00 0.00 O ATOM 203 CB GLN A 13 5.896 0.443 -5.485 1.00 0.00 C ATOM 204 CG GLN A 13 5.738 0.149 -6.978 1.00 0.00 C ATOM 205 CD GLN A 13 7.103 -0.198 -7.575 1.00 0.00 C ATOM 206 OE1 GLN A 13 8.116 -0.405 -6.777 1.00 0.00 O flip ATOM 207 NE2 GLN A 13 7.250 -0.280 -8.778 1.00 0.00 N flip ATOM 0 H GLN A 13 3.658 -0.656 -5.574 1.00 0.00 H new ATOM 0 HA GLN A 13 4.770 1.362 -3.899 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.768 1.075 -5.320 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.066 -0.484 -4.938 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.043 -0.678 -7.125 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.315 1.015 -7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.458 -0.118 -9.401 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.165 -0.511 -9.165 1.00 0.00 H new ATOM 216 N GLU A 14 3.614 2.393 -6.766 1.00 0.00 N ATOM 217 CA GLU A 14 3.346 3.630 -7.557 1.00 0.00 C ATOM 218 C GLU A 14 2.555 4.617 -6.701 1.00 0.00 C ATOM 219 O GLU A 14 3.013 5.702 -6.403 1.00 0.00 O ATOM 220 CB GLU A 14 2.532 3.275 -8.802 1.00 0.00 C ATOM 221 CG GLU A 14 3.404 2.480 -9.776 1.00 0.00 C ATOM 222 CD GLU A 14 4.046 3.434 -10.785 1.00 0.00 C ATOM 223 OE1 GLU A 14 4.402 4.531 -10.388 1.00 0.00 O ATOM 224 OE2 GLU A 14 4.171 3.051 -11.936 1.00 0.00 O ATOM 0 H GLU A 14 3.141 1.553 -7.100 1.00 0.00 H new ATOM 0 HA GLU A 14 4.292 4.081 -7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.656 2.690 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.168 4.183 -9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.176 1.938 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.801 1.736 -10.296 1.00 0.00 H new ATOM 231 N VAL A 15 1.369 4.251 -6.297 1.00 0.00 N ATOM 232 CA VAL A 15 0.558 5.168 -5.456 1.00 0.00 C ATOM 233 C VAL A 15 1.456 5.755 -4.362 1.00 0.00 C ATOM 234 O VAL A 15 1.242 6.852 -3.887 1.00 0.00 O ATOM 235 CB VAL A 15 -0.609 4.384 -4.840 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.673 2.993 -5.470 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.419 4.243 -3.326 1.00 0.00 C ATOM 0 H VAL A 15 0.929 3.357 -6.514 1.00 0.00 H new ATOM 0 HA VAL A 15 0.152 5.982 -6.056 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.536 4.925 -5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.501 2.434 -5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.825 3.087 -6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.261 2.464 -5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.255 3.685 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.511 3.711 -3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.377 5.233 -2.871 1.00 0.00 H new ATOM 247 N LEU A 16 2.465 5.027 -3.970 1.00 0.00 N ATOM 248 CA LEU A 16 3.388 5.531 -2.917 1.00 0.00 C ATOM 249 C LEU A 16 4.343 6.549 -3.548 1.00 0.00 C ATOM 250 O LEU A 16 4.840 7.443 -2.892 1.00 0.00 O ATOM 251 CB LEU A 16 4.168 4.345 -2.328 1.00 0.00 C ATOM 252 CG LEU A 16 5.623 4.734 -2.043 1.00 0.00 C ATOM 253 CD1 LEU A 16 5.665 5.926 -1.083 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.342 3.545 -1.401 1.00 0.00 C ATOM 0 H LEU A 16 2.690 4.102 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 16 2.832 6.017 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.690 4.011 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.141 3.506 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 16 6.114 5.008 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.702 6.197 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.148 6.774 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.175 5.657 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.378 3.814 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.844 3.279 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.317 2.694 -2.081 1.00 0.00 H new ATOM 266 N LYS A 17 4.594 6.425 -4.826 1.00 0.00 N ATOM 267 CA LYS A 17 5.508 7.387 -5.508 1.00 0.00 C ATOM 268 C LYS A 17 4.775 8.709 -5.750 1.00 0.00 C ATOM 269 O LYS A 17 5.281 9.772 -5.451 1.00 0.00 O ATOM 270 CB LYS A 17 5.961 6.800 -6.848 1.00 0.00 C ATOM 271 CG LYS A 17 7.097 7.652 -7.425 1.00 0.00 C ATOM 272 CD LYS A 17 6.718 8.131 -8.828 1.00 0.00 C ATOM 273 CE LYS A 17 7.936 8.777 -9.493 1.00 0.00 C ATOM 274 NZ LYS A 17 7.877 10.254 -9.310 1.00 0.00 N ATOM 0 H LYS A 17 4.205 5.698 -5.426 1.00 0.00 H new ATOM 0 HA LYS A 17 6.379 7.567 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.297 5.772 -6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.124 6.771 -7.546 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.289 8.507 -6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.018 7.070 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.365 7.292 -9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.899 8.848 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.854 8.382 -9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.957 8.532 -10.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.704 10.693 -9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.008 10.623 -9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.877 10.478 -8.294 1.00 0.00 H new ATOM 288 N HIS A 18 3.588 8.656 -6.291 1.00 0.00 N ATOM 289 CA HIS A 18 2.833 9.916 -6.550 1.00 0.00 C ATOM 290 C HIS A 18 2.266 10.453 -5.235 1.00 0.00 C ATOM 291 O HIS A 18 1.650 11.500 -5.194 1.00 0.00 O ATOM 292 CB HIS A 18 1.691 9.639 -7.526 1.00 0.00 C ATOM 293 CG HIS A 18 2.206 9.720 -8.937 1.00 0.00 C ATOM 294 ND1 HIS A 18 1.986 10.828 -9.744 1.00 0.00 N ATOM 295 CD2 HIS A 18 2.932 8.838 -9.700 1.00 0.00 C ATOM 296 CE1 HIS A 18 2.573 10.587 -10.933 1.00 0.00 C ATOM 297 NE2 HIS A 18 3.161 9.390 -10.955 1.00 0.00 N ATOM 0 H HIS A 18 3.109 7.798 -6.564 1.00 0.00 H new ATOM 0 HA HIS A 18 3.505 10.657 -6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.269 8.652 -7.338 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.889 10.362 -7.378 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.272 7.866 -9.375 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.568 11.277 -11.764 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.672 8.968 -11.730 1.00 0.00 H new ATOM 306 N VAL A 19 2.469 9.745 -4.158 1.00 0.00 N ATOM 307 CA VAL A 19 1.942 10.217 -2.847 1.00 0.00 C ATOM 308 C VAL A 19 3.029 11.013 -2.120 1.00 0.00 C ATOM 309 O VAL A 19 2.756 11.996 -1.459 1.00 0.00 O ATOM 310 CB VAL A 19 1.533 9.008 -1.998 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.676 9.348 -0.514 1.00 0.00 C ATOM 312 CG2 VAL A 19 0.077 8.645 -2.295 1.00 0.00 C ATOM 0 H VAL A 19 2.977 8.861 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 19 1.073 10.855 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 19 2.178 8.164 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.384 8.486 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.713 9.607 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.033 10.194 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.214 7.785 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.566 9.492 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.028 8.399 -3.352 1.00 0.00 H new ATOM 322 N ASN A 20 4.260 10.595 -2.233 1.00 0.00 N ATOM 323 CA ASN A 20 5.361 11.327 -1.547 1.00 0.00 C ATOM 324 C ASN A 20 5.507 12.723 -2.156 1.00 0.00 C ATOM 325 O ASN A 20 6.027 13.629 -1.534 1.00 0.00 O ATOM 326 CB ASN A 20 6.672 10.555 -1.717 1.00 0.00 C ATOM 327 CG ASN A 20 7.140 10.035 -0.358 1.00 0.00 C ATOM 328 OD1 ASN A 20 8.217 10.367 0.096 1.00 0.00 O ATOM 329 ND2 ASN A 20 6.369 9.228 0.318 1.00 0.00 N ATOM 0 H ASN A 20 4.550 9.778 -2.771 1.00 0.00 H new ATOM 0 HA ASN A 20 5.128 11.418 -0.486 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.529 9.723 -2.407 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.433 11.202 -2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.671 8.876 1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.465 8.949 -0.062 1.00 0.00 H new ATOM 336 N GLN A 21 5.057 12.906 -3.367 1.00 0.00 N ATOM 337 CA GLN A 21 5.178 14.246 -4.009 1.00 0.00 C ATOM 338 C GLN A 21 3.972 15.111 -3.634 1.00 0.00 C ATOM 339 O GLN A 21 4.073 16.316 -3.524 1.00 0.00 O ATOM 340 CB GLN A 21 5.233 14.082 -5.530 1.00 0.00 C ATOM 341 CG GLN A 21 5.716 15.387 -6.166 1.00 0.00 C ATOM 342 CD GLN A 21 5.494 15.331 -7.678 1.00 0.00 C ATOM 343 OE1 GLN A 21 5.845 14.360 -8.320 1.00 0.00 O ATOM 344 NE2 GLN A 21 4.922 16.338 -8.280 1.00 0.00 N ATOM 0 H GLN A 21 4.612 12.188 -3.939 1.00 0.00 H new ATOM 0 HA GLN A 21 6.091 14.729 -3.661 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.905 13.265 -5.794 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.247 13.821 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.177 16.233 -5.740 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.773 15.540 -5.948 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.627 17.153 -7.742 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.770 16.310 -9.288 1.00 0.00 H new ATOM 353 N HIS A 22 2.829 14.510 -3.441 1.00 0.00 N ATOM 354 CA HIS A 22 1.622 15.307 -3.080 1.00 0.00 C ATOM 355 C HIS A 22 1.273 15.087 -1.609 1.00 0.00 C ATOM 356 O HIS A 22 0.118 15.051 -1.236 1.00 0.00 O ATOM 357 CB HIS A 22 0.442 14.868 -3.947 1.00 0.00 C ATOM 358 CG HIS A 22 0.572 15.471 -5.317 1.00 0.00 C ATOM 359 ND1 HIS A 22 0.092 16.738 -5.617 1.00 0.00 N ATOM 360 CD2 HIS A 22 1.121 14.993 -6.481 1.00 0.00 C ATOM 361 CE1 HIS A 22 0.358 16.976 -6.914 1.00 0.00 C ATOM 362 NE2 HIS A 22 0.983 15.945 -7.484 1.00 0.00 N ATOM 0 H HIS A 22 2.679 13.504 -3.518 1.00 0.00 H new ATOM 0 HA HIS A 22 1.831 16.364 -3.248 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.415 13.781 -4.018 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.496 15.181 -3.488 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.588 14.026 -6.599 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.098 17.889 -7.430 1.00 0.00 H new ATOM 0 HE2 HIS A 22 1.294 15.871 -8.452 1.00 0.00 H new ATOM 371 N TRP A 23 2.258 14.942 -0.767 1.00 0.00 N ATOM 372 CA TRP A 23 1.967 14.729 0.675 1.00 0.00 C ATOM 373 C TRP A 23 1.652 16.068 1.338 1.00 0.00 C ATOM 374 O TRP A 23 2.288 17.069 1.077 1.00 0.00 O ATOM 375 CB TRP A 23 3.175 14.103 1.361 1.00 0.00 C ATOM 376 CG TRP A 23 2.745 13.538 2.673 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.576 14.252 3.807 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.415 12.161 3.002 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.164 13.396 4.813 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.054 12.096 4.366 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.398 10.975 2.254 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.690 10.893 4.970 1.00 0.00 C ATOM 383 CZ3 TRP A 23 2.032 9.761 2.855 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.678 9.721 4.212 1.00 0.00 C ATOM 0 H TRP A 23 3.247 14.962 -1.015 1.00 0.00 H new ATOM 0 HA TRP A 23 1.110 14.062 0.769 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.601 13.319 0.734 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.954 14.851 1.509 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.736 15.315 3.911 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.966 13.691 5.769 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.668 10.996 1.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.420 10.868 6.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 2.023 8.853 2.270 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.396 8.784 4.670 1.00 0.00 H new ATOM 395 N GLN A 24 0.675 16.091 2.199 1.00 0.00 N ATOM 396 CA GLN A 24 0.319 17.364 2.886 1.00 0.00 C ATOM 397 C GLN A 24 -0.277 17.052 4.260 1.00 0.00 C ATOM 398 O GLN A 24 -1.191 16.261 4.385 1.00 0.00 O ATOM 399 CB GLN A 24 -0.701 18.133 2.044 1.00 0.00 C ATOM 400 CG GLN A 24 -0.210 19.566 1.823 1.00 0.00 C ATOM 401 CD GLN A 24 0.104 20.213 3.173 1.00 0.00 C ATOM 402 OE1 GLN A 24 -0.794 20.552 3.919 1.00 0.00 O ATOM 403 NE2 GLN A 24 1.347 20.401 3.521 1.00 0.00 N ATOM 0 H GLN A 24 0.107 15.284 2.457 1.00 0.00 H new ATOM 0 HA GLN A 24 1.214 17.973 3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.845 17.635 1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.668 18.143 2.546 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.680 19.564 1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.970 20.145 1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.100 20.117 2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.566 20.832 4.419 1.00 0.00 H new ATOM 412 N GLY A 25 0.238 17.663 5.291 1.00 0.00 N ATOM 413 CA GLY A 25 -0.296 17.399 6.657 1.00 0.00 C ATOM 414 C GLY A 25 0.840 16.924 7.564 1.00 0.00 C ATOM 415 O GLY A 25 0.692 15.985 8.320 1.00 0.00 O ATOM 0 H GLY A 25 1.005 18.334 5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.747 18.304 7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.081 16.644 6.613 1.00 0.00 H new ATOM 419 N GLY A 26 1.975 17.565 7.494 1.00 0.00 N ATOM 420 CA GLY A 26 3.119 17.149 8.353 1.00 0.00 C ATOM 421 C GLY A 26 4.113 16.340 7.519 1.00 0.00 C ATOM 422 O GLY A 26 4.082 15.127 7.502 1.00 0.00 O ATOM 0 H GLY A 26 2.159 18.358 6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.610 18.027 8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.760 16.552 9.191 1.00 0.00 H new ATOM 426 N GLN A 27 4.996 17.004 6.824 1.00 0.00 N ATOM 427 CA GLN A 27 5.989 16.272 5.990 1.00 0.00 C ATOM 428 C GLN A 27 6.835 15.358 6.879 1.00 0.00 C ATOM 429 O GLN A 27 7.784 14.746 6.431 1.00 0.00 O ATOM 430 CB GLN A 27 6.899 17.276 5.281 1.00 0.00 C ATOM 431 CG GLN A 27 7.414 16.665 3.976 1.00 0.00 C ATOM 432 CD GLN A 27 6.501 17.079 2.819 1.00 0.00 C ATOM 433 OE1 GLN A 27 5.243 17.334 3.054 1.00 0.00 O flip ATOM 434 NE2 GLN A 27 6.938 17.170 1.689 1.00 0.00 N flip ATOM 0 H GLN A 27 5.072 18.021 6.798 1.00 0.00 H new ATOM 0 HA GLN A 27 5.463 15.670 5.249 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.352 18.195 5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.737 17.542 5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.434 16.998 3.785 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.444 15.579 4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.921 16.971 1.505 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.322 17.446 0.924 1.00 0.00 H new ATOM 443 N LYS A 28 6.497 15.258 8.136 1.00 0.00 N ATOM 444 CA LYS A 28 7.282 14.379 9.048 1.00 0.00 C ATOM 445 C LYS A 28 6.682 12.972 9.036 1.00 0.00 C ATOM 446 O LYS A 28 7.306 12.017 9.454 1.00 0.00 O ATOM 447 CB LYS A 28 7.231 14.943 10.471 1.00 0.00 C ATOM 448 CG LYS A 28 5.777 15.225 10.855 1.00 0.00 C ATOM 449 CD LYS A 28 5.725 15.786 12.276 1.00 0.00 C ATOM 450 CE LYS A 28 4.541 16.745 12.403 1.00 0.00 C ATOM 451 NZ LYS A 28 3.354 16.163 11.717 1.00 0.00 N ATOM 0 H LYS A 28 5.713 15.746 8.570 1.00 0.00 H new ATOM 0 HA LYS A 28 8.318 14.337 8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.672 14.234 11.171 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.819 15.859 10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.336 15.935 10.156 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.189 14.309 10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.627 14.973 12.996 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.654 16.306 12.507 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.315 16.924 13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.792 17.710 11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.486 16.568 12.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.398 16.382 10.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.348 15.131 11.848 1.00 0.00 H new ATOM 465 N ASN A 29 5.476 12.835 8.557 1.00 0.00 N ATOM 466 CA ASN A 29 4.841 11.489 8.517 1.00 0.00 C ATOM 467 C ASN A 29 5.118 10.839 7.161 1.00 0.00 C ATOM 468 O ASN A 29 5.052 9.635 7.014 1.00 0.00 O ATOM 469 CB ASN A 29 3.331 11.631 8.716 1.00 0.00 C ATOM 470 CG ASN A 29 2.948 13.112 8.669 1.00 0.00 C ATOM 471 OD1 ASN A 29 2.340 13.581 7.613 1.00 0.00 O flip ATOM 472 ND2 ASN A 29 3.206 13.848 9.599 1.00 0.00 N flip ATOM 0 H ASN A 29 4.904 13.597 8.192 1.00 0.00 H new ATOM 0 HA ASN A 29 5.254 10.867 9.311 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.798 11.082 7.940 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.037 11.198 9.672 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.681 13.481 10.424 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.948 14.834 9.556 1.00 0.00 H new ATOM 479 N MET A 30 5.430 11.625 6.166 1.00 0.00 N ATOM 480 CA MET A 30 5.711 11.046 4.824 1.00 0.00 C ATOM 481 C MET A 30 6.823 10.003 4.945 1.00 0.00 C ATOM 482 O MET A 30 6.813 8.989 4.275 1.00 0.00 O ATOM 483 CB MET A 30 6.156 12.158 3.872 1.00 0.00 C ATOM 484 CG MET A 30 6.692 11.540 2.579 1.00 0.00 C ATOM 485 SD MET A 30 8.480 11.803 2.485 1.00 0.00 S ATOM 486 CE MET A 30 8.432 13.591 2.218 1.00 0.00 C ATOM 0 H MET A 30 5.502 12.641 6.226 1.00 0.00 H new ATOM 0 HA MET A 30 4.809 10.574 4.434 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.318 12.819 3.651 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.927 12.767 4.343 1.00 0.00 H new ATOM 0 HG2 MET A 30 6.468 10.474 2.552 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.201 11.991 1.716 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.955 13.835 1.294 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.395 13.920 2.146 1.00 0.00 H new ATOM 0 HE3 MET A 30 8.916 14.097 3.053 1.00 0.00 H new ATOM 496 N ASN A 31 7.782 10.244 5.797 1.00 0.00 N ATOM 497 CA ASN A 31 8.895 9.269 5.963 1.00 0.00 C ATOM 498 C ASN A 31 8.439 8.126 6.872 1.00 0.00 C ATOM 499 O ASN A 31 8.615 6.964 6.562 1.00 0.00 O ATOM 500 CB ASN A 31 10.100 9.969 6.598 1.00 0.00 C ATOM 501 CG ASN A 31 10.518 11.167 5.741 1.00 0.00 C ATOM 502 OD1 ASN A 31 9.660 11.695 4.910 1.00 0.00 O flip ATOM 503 ND2 ASN A 31 11.639 11.628 5.829 1.00 0.00 N flip ATOM 0 H ASN A 31 7.842 11.075 6.385 1.00 0.00 H new ATOM 0 HA ASN A 31 9.176 8.872 4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.849 10.301 7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.931 9.269 6.691 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.310 11.217 6.478 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.909 12.426 5.254 1.00 0.00 H new ATOM 510 N LYS A 32 7.856 8.448 7.995 1.00 0.00 N ATOM 511 CA LYS A 32 7.392 7.384 8.930 1.00 0.00 C ATOM 512 C LYS A 32 6.505 6.388 8.181 1.00 0.00 C ATOM 513 O LYS A 32 6.588 5.194 8.388 1.00 0.00 O ATOM 514 CB LYS A 32 6.598 8.021 10.073 1.00 0.00 C ATOM 515 CG LYS A 32 7.566 8.634 11.089 1.00 0.00 C ATOM 516 CD LYS A 32 7.701 7.704 12.295 1.00 0.00 C ATOM 517 CE LYS A 32 8.910 8.125 13.133 1.00 0.00 C ATOM 518 NZ LYS A 32 8.749 7.628 14.528 1.00 0.00 N ATOM 0 H LYS A 32 7.681 9.404 8.305 1.00 0.00 H new ATOM 0 HA LYS A 32 8.256 6.858 9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.930 8.789 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.973 7.271 10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.541 8.792 10.628 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.203 9.611 11.409 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.795 7.742 12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.818 6.673 11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.825 7.724 12.697 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.006 9.211 13.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.572 7.915 15.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.884 8.031 14.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.678 6.590 14.521 1.00 0.00 H new ATOM 532 N VAL A 33 5.655 6.864 7.312 1.00 0.00 N ATOM 533 CA VAL A 33 4.771 5.934 6.557 1.00 0.00 C ATOM 534 C VAL A 33 5.548 5.333 5.383 1.00 0.00 C ATOM 535 O VAL A 33 5.438 4.159 5.092 1.00 0.00 O ATOM 536 CB VAL A 33 3.554 6.693 6.027 1.00 0.00 C ATOM 537 CG1 VAL A 33 2.693 7.163 7.200 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.023 7.907 5.220 1.00 0.00 C ATOM 0 H VAL A 33 5.535 7.853 7.094 1.00 0.00 H new ATOM 0 HA VAL A 33 4.437 5.137 7.221 1.00 0.00 H new ATOM 0 HB VAL A 33 2.966 6.035 5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.826 7.704 6.821 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.359 6.299 7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.279 7.821 7.841 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.156 8.449 4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.611 8.564 5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.636 7.573 4.383 1.00 0.00 H new ATOM 548 N ASP A 34 6.336 6.126 4.710 1.00 0.00 N ATOM 549 CA ASP A 34 7.118 5.595 3.559 1.00 0.00 C ATOM 550 C ASP A 34 7.629 4.193 3.899 1.00 0.00 C ATOM 551 O ASP A 34 7.529 3.277 3.108 1.00 0.00 O ATOM 552 CB ASP A 34 8.305 6.519 3.277 1.00 0.00 C ATOM 553 CG ASP A 34 9.073 6.010 2.055 1.00 0.00 C ATOM 554 OD1 ASP A 34 9.690 4.963 2.162 1.00 0.00 O ATOM 555 OD2 ASP A 34 9.030 6.677 1.034 1.00 0.00 O ATOM 0 H ASP A 34 6.472 7.117 4.907 1.00 0.00 H new ATOM 0 HA ASP A 34 6.481 5.547 2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.954 7.536 3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.964 6.556 4.144 1.00 0.00 H new ATOM 560 N HIS A 35 8.173 4.018 5.074 1.00 0.00 N ATOM 561 CA HIS A 35 8.684 2.674 5.461 1.00 0.00 C ATOM 562 C HIS A 35 7.505 1.711 5.614 1.00 0.00 C ATOM 563 O HIS A 35 7.550 0.585 5.160 1.00 0.00 O ATOM 564 CB HIS A 35 9.444 2.771 6.785 1.00 0.00 C ATOM 565 CG HIS A 35 10.261 1.523 6.981 1.00 0.00 C ATOM 566 ND1 HIS A 35 10.992 1.062 8.050 1.00 0.00 N flip ATOM 567 CD2 HIS A 35 10.398 0.565 5.987 1.00 0.00 C flip ATOM 568 CE1 HIS A 35 11.570 -0.160 7.722 1.00 0.00 C flip ATOM 569 NE2 HIS A 35 11.182 -0.415 6.472 1.00 0.00 N flip ATOM 0 H HIS A 35 8.285 4.746 5.779 1.00 0.00 H new ATOM 0 HA HIS A 35 9.359 2.306 4.689 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.092 3.647 6.782 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.744 2.895 7.611 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.956 0.600 5.002 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.201 -0.773 8.348 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.447 -1.249 5.948 1.00 0.00 H new ATOM 578 N HIS A 36 6.446 2.146 6.243 1.00 0.00 N ATOM 579 CA HIS A 36 5.268 1.252 6.412 1.00 0.00 C ATOM 580 C HIS A 36 4.953 0.589 5.072 1.00 0.00 C ATOM 581 O HIS A 36 4.805 -0.613 4.982 1.00 0.00 O ATOM 582 CB HIS A 36 4.060 2.076 6.869 1.00 0.00 C ATOM 583 CG HIS A 36 4.206 2.436 8.325 1.00 0.00 C ATOM 584 ND1 HIS A 36 3.574 3.541 8.878 1.00 0.00 N ATOM 585 CD2 HIS A 36 4.901 1.847 9.354 1.00 0.00 C ATOM 586 CE1 HIS A 36 3.897 3.583 10.184 1.00 0.00 C ATOM 587 NE2 HIS A 36 4.701 2.575 10.522 1.00 0.00 N ATOM 0 H HIS A 36 6.347 3.078 6.645 1.00 0.00 H new ATOM 0 HA HIS A 36 5.488 0.490 7.160 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.978 2.982 6.268 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.142 1.508 6.716 1.00 0.00 H new ATOM 0 HD1 HIS A 36 2.974 4.201 8.384 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.508 0.958 9.269 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.548 4.339 10.872 1.00 0.00 H new ATOM 596 N LEU A 37 4.855 1.365 4.029 1.00 0.00 N ATOM 597 CA LEU A 37 4.555 0.784 2.692 1.00 0.00 C ATOM 598 C LEU A 37 5.768 0.001 2.194 1.00 0.00 C ATOM 599 O LEU A 37 5.690 -1.184 1.941 1.00 0.00 O ATOM 600 CB LEU A 37 4.240 1.912 1.708 1.00 0.00 C ATOM 601 CG LEU A 37 2.730 1.991 1.484 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.380 3.323 0.818 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.289 0.839 0.578 1.00 0.00 C ATOM 0 H LEU A 37 4.970 2.378 4.045 1.00 0.00 H new ATOM 0 HA LEU A 37 3.697 0.116 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.610 2.861 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.749 1.735 0.761 1.00 0.00 H new ATOM 0 HG LEU A 37 2.217 1.919 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.303 3.378 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.694 4.145 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.893 3.396 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.212 0.894 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.803 0.913 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.537 -0.111 1.051 1.00 0.00 H new ATOM 615 N GLN A 38 6.891 0.651 2.048 1.00 0.00 N ATOM 616 CA GLN A 38 8.103 -0.069 1.564 1.00 0.00 C ATOM 617 C GLN A 38 8.114 -1.477 2.158 1.00 0.00 C ATOM 618 O GLN A 38 8.465 -2.437 1.501 1.00 0.00 O ATOM 619 CB GLN A 38 9.361 0.687 2.004 1.00 0.00 C ATOM 620 CG GLN A 38 10.172 1.092 0.770 1.00 0.00 C ATOM 621 CD GLN A 38 11.549 1.597 1.205 1.00 0.00 C ATOM 622 OE1 GLN A 38 12.125 1.064 2.246 1.00 0.00 O flip ATOM 623 NE2 GLN A 38 12.105 2.485 0.590 1.00 0.00 N flip ATOM 0 H GLN A 38 7.021 1.644 2.242 1.00 0.00 H new ATOM 0 HA GLN A 38 8.087 -0.129 0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.084 1.572 2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.965 0.059 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.281 0.240 0.098 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.646 1.870 0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.654 2.901 -0.224 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.023 2.814 0.888 1.00 0.00 H new ATOM 632 N ASN A 39 7.725 -1.607 3.396 1.00 0.00 N ATOM 633 CA ASN A 39 7.702 -2.951 4.031 1.00 0.00 C ATOM 634 C ASN A 39 6.613 -3.798 3.367 1.00 0.00 C ATOM 635 O ASN A 39 6.760 -4.992 3.195 1.00 0.00 O ATOM 636 CB ASN A 39 7.400 -2.807 5.524 1.00 0.00 C ATOM 637 CG ASN A 39 8.656 -3.131 6.333 1.00 0.00 C ATOM 638 OD1 ASN A 39 9.209 -2.197 7.060 1.00 0.00 O flip ATOM 639 ND2 ASN A 39 9.141 -4.244 6.304 1.00 0.00 N flip ATOM 0 H ASN A 39 7.422 -0.839 3.995 1.00 0.00 H new ATOM 0 HA ASN A 39 8.671 -3.434 3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.066 -1.793 5.742 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.589 -3.477 5.808 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.710 -4.974 5.737 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.980 -4.449 6.847 1.00 0.00 H new ATOM 646 N VAL A 40 5.525 -3.186 2.983 1.00 0.00 N ATOM 647 CA VAL A 40 4.433 -3.952 2.321 1.00 0.00 C ATOM 648 C VAL A 40 4.831 -4.241 0.874 1.00 0.00 C ATOM 649 O VAL A 40 4.839 -5.374 0.434 1.00 0.00 O ATOM 650 CB VAL A 40 3.140 -3.135 2.335 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.007 -3.967 1.726 1.00 0.00 C ATOM 652 CG2 VAL A 40 2.781 -2.770 3.776 1.00 0.00 C ATOM 0 H VAL A 40 5.346 -2.189 3.100 1.00 0.00 H new ATOM 0 HA VAL A 40 4.272 -4.887 2.857 1.00 0.00 H new ATOM 0 HB VAL A 40 3.280 -2.224 1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.084 -3.387 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.260 -4.230 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.869 -4.877 2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.860 -2.188 3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.640 -3.681 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.587 -2.181 4.214 1.00 0.00 H new ATOM 662 N ILE A 41 5.167 -3.221 0.129 1.00 0.00 N ATOM 663 CA ILE A 41 5.568 -3.436 -1.288 1.00 0.00 C ATOM 664 C ILE A 41 6.402 -4.715 -1.392 1.00 0.00 C ATOM 665 O ILE A 41 6.225 -5.513 -2.288 1.00 0.00 O ATOM 666 CB ILE A 41 6.405 -2.254 -1.773 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.478 -1.109 -2.187 1.00 0.00 C ATOM 668 CG2 ILE A 41 7.235 -2.696 -2.977 1.00 0.00 C ATOM 669 CD1 ILE A 41 4.690 -0.627 -0.968 1.00 0.00 C ATOM 0 H ILE A 41 5.180 -2.250 0.442 1.00 0.00 H new ATOM 0 HA ILE A 41 4.673 -3.526 -1.904 1.00 0.00 H new ATOM 0 HB ILE A 41 7.063 -1.914 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.060 -0.288 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.794 -1.444 -2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.837 -1.859 -3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.891 -3.516 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.571 -3.028 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.029 0.189 -1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.096 -1.450 -0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.382 -0.276 -0.203 1.00 0.00 H new ATOM 681 N GLU A 42 7.318 -4.908 -0.482 1.00 0.00 N ATOM 682 CA GLU A 42 8.174 -6.129 -0.527 1.00 0.00 C ATOM 683 C GLU A 42 7.341 -7.358 -0.158 1.00 0.00 C ATOM 684 O GLU A 42 7.595 -8.452 -0.622 1.00 0.00 O ATOM 685 CB GLU A 42 9.321 -5.978 0.472 1.00 0.00 C ATOM 686 CG GLU A 42 10.263 -7.177 0.357 1.00 0.00 C ATOM 687 CD GLU A 42 11.449 -6.987 1.303 1.00 0.00 C ATOM 688 OE1 GLU A 42 12.343 -6.231 0.956 1.00 0.00 O ATOM 689 OE2 GLU A 42 11.444 -7.598 2.358 1.00 0.00 O ATOM 0 H GLU A 42 7.511 -4.272 0.292 1.00 0.00 H new ATOM 0 HA GLU A 42 8.574 -6.253 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.866 -5.054 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.927 -5.908 1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.731 -8.096 0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.616 -7.279 -0.669 1.00 0.00 H new ATOM 696 N ASP A 43 6.352 -7.192 0.675 1.00 0.00 N ATOM 697 CA ASP A 43 5.512 -8.356 1.071 1.00 0.00 C ATOM 698 C ASP A 43 4.866 -8.959 -0.177 1.00 0.00 C ATOM 699 O ASP A 43 4.932 -10.150 -0.409 1.00 0.00 O ATOM 700 CB ASP A 43 4.426 -7.890 2.041 1.00 0.00 C ATOM 701 CG ASP A 43 3.655 -9.100 2.569 1.00 0.00 C ATOM 702 OD1 ASP A 43 3.170 -9.870 1.756 1.00 0.00 O ATOM 703 OD2 ASP A 43 3.561 -9.236 3.779 1.00 0.00 O ATOM 0 H ASP A 43 6.089 -6.302 1.098 1.00 0.00 H new ATOM 0 HA ASP A 43 6.131 -9.109 1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.875 -7.343 2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.745 -7.204 1.538 1.00 0.00 H new ATOM 708 N ILE A 44 4.249 -8.144 -0.985 1.00 0.00 N ATOM 709 CA ILE A 44 3.607 -8.665 -2.223 1.00 0.00 C ATOM 710 C ILE A 44 4.659 -9.389 -3.066 1.00 0.00 C ATOM 711 O ILE A 44 4.463 -10.508 -3.495 1.00 0.00 O ATOM 712 CB ILE A 44 3.027 -7.496 -3.019 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.231 -6.589 -2.082 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.109 -8.027 -4.122 1.00 0.00 C ATOM 715 CD1 ILE A 44 3.025 -5.307 -1.835 1.00 0.00 C ATOM 0 H ILE A 44 4.161 -7.138 -0.841 1.00 0.00 H new ATOM 0 HA ILE A 44 2.807 -9.359 -1.963 1.00 0.00 H new ATOM 0 HB ILE A 44 3.840 -6.928 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.262 -6.353 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.038 -7.100 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.698 -7.191 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.679 -8.671 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.295 -8.598 -3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.463 -4.654 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.984 -5.555 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.195 -4.796 -2.783 1.00 0.00 H new ATOM 727 N HIS A 45 5.779 -8.759 -3.299 1.00 0.00 N ATOM 728 CA HIS A 45 6.848 -9.413 -4.107 1.00 0.00 C ATOM 729 C HIS A 45 7.147 -10.790 -3.519 1.00 0.00 C ATOM 730 O HIS A 45 7.548 -11.701 -4.213 1.00 0.00 O ATOM 731 CB HIS A 45 8.116 -8.557 -4.066 1.00 0.00 C ATOM 732 CG HIS A 45 8.878 -8.727 -5.350 1.00 0.00 C ATOM 733 ND1 HIS A 45 9.309 -9.970 -5.796 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.299 -7.823 -6.293 1.00 0.00 C ATOM 735 CE1 HIS A 45 9.958 -9.780 -6.961 1.00 0.00 C ATOM 736 NE2 HIS A 45 9.978 -8.491 -7.305 1.00 0.00 N ATOM 0 H HIS A 45 6.000 -7.821 -2.965 1.00 0.00 H new ATOM 0 HA HIS A 45 6.515 -9.517 -5.140 1.00 0.00 H new ATOM 0 HB2 HIS A 45 7.855 -7.509 -3.922 1.00 0.00 H new ATOM 0 HB3 HIS A 45 8.738 -8.850 -3.220 1.00 0.00 H new ATOM 0 HD1 HIS A 45 9.161 -10.864 -5.327 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.129 -6.757 -6.255 1.00 0.00 H new ATOM 0 HE1 HIS A 45 10.406 -10.572 -7.543 1.00 0.00 H new ATOM 745 N ASP A 46 6.955 -10.948 -2.238 1.00 0.00 N ATOM 746 CA ASP A 46 7.224 -12.269 -1.604 1.00 0.00 C ATOM 747 C ASP A 46 5.985 -13.157 -1.735 1.00 0.00 C ATOM 748 O ASP A 46 6.013 -14.330 -1.418 1.00 0.00 O ATOM 749 CB ASP A 46 7.562 -12.065 -0.126 1.00 0.00 C ATOM 750 CG ASP A 46 7.319 -13.367 0.639 1.00 0.00 C ATOM 751 OD1 ASP A 46 6.213 -13.555 1.116 1.00 0.00 O ATOM 752 OD2 ASP A 46 8.246 -14.156 0.736 1.00 0.00 O ATOM 0 H ASP A 46 6.624 -10.221 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 46 8.066 -12.750 -2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.602 -11.757 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.949 -11.266 0.291 1.00 0.00 H new ATOM 757 N PHE A 47 4.897 -12.606 -2.203 1.00 0.00 N ATOM 758 CA PHE A 47 3.657 -13.416 -2.360 1.00 0.00 C ATOM 759 C PHE A 47 3.738 -14.202 -3.670 1.00 0.00 C ATOM 760 O PHE A 47 3.076 -15.205 -3.849 1.00 0.00 O ATOM 761 CB PHE A 47 2.443 -12.483 -2.387 1.00 0.00 C ATOM 762 CG PHE A 47 1.167 -13.290 -2.316 1.00 0.00 C ATOM 763 CD1 PHE A 47 0.628 -13.860 -3.476 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.521 -13.466 -1.085 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.555 -14.607 -3.404 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.661 -14.212 -1.015 1.00 0.00 C ATOM 767 CZ PHE A 47 -1.199 -14.783 -2.174 1.00 0.00 C ATOM 0 H PHE A 47 4.815 -11.629 -2.483 1.00 0.00 H new ATOM 0 HA PHE A 47 3.556 -14.110 -1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.490 -11.788 -1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.454 -11.885 -3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.124 -13.724 -4.426 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.935 -13.026 -0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.970 -15.047 -4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.158 -14.347 -0.066 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.111 -15.359 -2.119 1.00 0.00 H new ATOM 777 N MET A 48 4.555 -13.754 -4.587 1.00 0.00 N ATOM 778 CA MET A 48 4.691 -14.477 -5.884 1.00 0.00 C ATOM 779 C MET A 48 5.553 -15.722 -5.676 1.00 0.00 C ATOM 780 O MET A 48 5.297 -16.770 -6.235 1.00 0.00 O ATOM 781 CB MET A 48 5.361 -13.560 -6.912 1.00 0.00 C ATOM 782 CG MET A 48 5.214 -12.102 -6.473 1.00 0.00 C ATOM 783 SD MET A 48 5.463 -11.016 -7.901 1.00 0.00 S ATOM 784 CE MET A 48 7.079 -11.662 -8.402 1.00 0.00 C ATOM 0 H MET A 48 5.133 -12.919 -4.493 1.00 0.00 H new ATOM 0 HA MET A 48 3.705 -14.768 -6.247 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.416 -13.816 -7.010 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.906 -13.703 -7.892 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.225 -11.937 -6.045 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.941 -11.870 -5.695 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.608 -10.908 -8.984 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.662 -11.911 -7.515 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.941 -12.557 -9.008 1.00 0.00 H new ATOM 794 N GLN A 49 6.573 -15.617 -4.867 1.00 0.00 N ATOM 795 CA GLN A 49 7.451 -16.797 -4.618 1.00 0.00 C ATOM 796 C GLN A 49 6.982 -17.520 -3.355 1.00 0.00 C ATOM 797 O GLN A 49 7.158 -18.713 -3.210 1.00 0.00 O ATOM 798 CB GLN A 49 8.910 -16.353 -4.449 1.00 0.00 C ATOM 799 CG GLN A 49 8.996 -15.130 -3.529 1.00 0.00 C ATOM 800 CD GLN A 49 9.055 -15.589 -2.071 1.00 0.00 C ATOM 801 OE1 GLN A 49 8.812 -16.742 -1.775 1.00 0.00 O ATOM 802 NE2 GLN A 49 9.370 -14.729 -1.143 1.00 0.00 N ATOM 0 H GLN A 49 6.836 -14.767 -4.369 1.00 0.00 H new ATOM 0 HA GLN A 49 7.389 -17.471 -5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.499 -17.170 -4.033 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.339 -16.114 -5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.881 -14.541 -3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.131 -14.485 -3.683 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.574 -13.761 -1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.413 -15.024 -0.168 1.00 0.00 H new ATOM 811 N GLY A 50 6.378 -16.812 -2.442 1.00 0.00 N ATOM 812 CA GLY A 50 5.892 -17.469 -1.197 1.00 0.00 C ATOM 813 C GLY A 50 4.983 -18.641 -1.575 1.00 0.00 C ATOM 814 O GLY A 50 4.478 -19.347 -0.726 1.00 0.00 O ATOM 0 H GLY A 50 6.200 -15.810 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.735 -17.823 -0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.347 -16.753 -0.581 1.00 0.00 H new ATOM 818 N GLY A 51 4.776 -18.853 -2.847 1.00 0.00 N ATOM 819 CA GLY A 51 3.906 -19.982 -3.289 1.00 0.00 C ATOM 820 C GLY A 51 2.440 -19.658 -2.993 1.00 0.00 C ATOM 821 O GLY A 51 1.569 -19.872 -3.813 1.00 0.00 O ATOM 0 H GLY A 51 5.173 -18.292 -3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.040 -20.159 -4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.196 -20.898 -2.775 1.00 0.00 H new ATOM 825 N GLY A 52 2.158 -19.151 -1.824 1.00 0.00 N ATOM 826 CA GLY A 52 0.747 -18.822 -1.472 1.00 0.00 C ATOM 827 C GLY A 52 0.634 -18.728 0.047 1.00 0.00 C ATOM 828 O GLY A 52 -0.352 -19.121 0.637 1.00 0.00 O ATOM 0 H GLY A 52 2.844 -18.950 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.452 -17.879 -1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.073 -19.588 -1.855 1.00 0.00 H new ATOM 832 N SER A 53 1.650 -18.215 0.680 1.00 0.00 N ATOM 833 CA SER A 53 1.634 -18.095 2.160 1.00 0.00 C ATOM 834 C SER A 53 0.633 -17.018 2.582 1.00 0.00 C ATOM 835 O SER A 53 0.991 -15.879 2.808 1.00 0.00 O ATOM 836 CB SER A 53 3.033 -17.712 2.639 1.00 0.00 C ATOM 837 OG SER A 53 3.940 -18.759 2.320 1.00 0.00 O ATOM 0 H SER A 53 2.498 -17.871 0.230 1.00 0.00 H new ATOM 0 HA SER A 53 1.338 -19.046 2.603 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.351 -16.783 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.026 -17.536 3.715 1.00 0.00 H new ATOM 0 HG SER A 53 4.042 -18.819 1.347 1.00 0.00 H new ATOM 843 N GLY A 54 -0.621 -17.368 2.694 1.00 0.00 N ATOM 844 CA GLY A 54 -1.640 -16.362 3.106 1.00 0.00 C ATOM 845 C GLY A 54 -1.233 -15.749 4.446 1.00 0.00 C ATOM 846 O GLY A 54 -1.781 -14.754 4.877 1.00 0.00 O ATOM 0 H GLY A 54 -0.982 -18.306 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.726 -15.583 2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.619 -16.833 3.191 1.00 0.00 H new ATOM 850 N GLY A 55 -0.267 -16.328 5.106 1.00 0.00 N ATOM 851 CA GLY A 55 0.178 -15.770 6.412 1.00 0.00 C ATOM 852 C GLY A 55 1.186 -14.653 6.150 1.00 0.00 C ATOM 853 O GLY A 55 1.299 -13.711 6.909 1.00 0.00 O ATOM 0 H GLY A 55 0.232 -17.162 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.676 -15.385 6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.630 -16.552 7.022 1.00 0.00 H new ATOM 857 N LYS A 56 1.915 -14.748 5.071 1.00 0.00 N ATOM 858 CA LYS A 56 2.911 -13.690 4.748 1.00 0.00 C ATOM 859 C LYS A 56 2.170 -12.433 4.293 1.00 0.00 C ATOM 860 O LYS A 56 2.691 -11.338 4.346 1.00 0.00 O ATOM 861 CB LYS A 56 3.833 -14.174 3.626 1.00 0.00 C ATOM 862 CG LYS A 56 4.923 -15.076 4.209 1.00 0.00 C ATOM 863 CD LYS A 56 6.107 -14.217 4.661 1.00 0.00 C ATOM 864 CE LYS A 56 7.287 -15.119 5.020 1.00 0.00 C ATOM 865 NZ LYS A 56 7.079 -15.693 6.378 1.00 0.00 N ATOM 0 H LYS A 56 1.863 -15.514 4.399 1.00 0.00 H new ATOM 0 HA LYS A 56 3.510 -13.468 5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.257 -14.720 2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.285 -13.321 3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.528 -15.643 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.249 -15.800 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.392 -13.527 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.823 -13.613 5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.383 -15.919 4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.216 -14.549 4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.882 -16.307 6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.008 -14.923 7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.201 -16.251 6.388 1.00 0.00 H new ATOM 879 N LEU A 57 0.953 -12.587 3.850 1.00 0.00 N ATOM 880 CA LEU A 57 0.171 -11.406 3.396 1.00 0.00 C ATOM 881 C LEU A 57 -0.510 -10.759 4.599 1.00 0.00 C ATOM 882 O LEU A 57 -0.334 -9.589 4.871 1.00 0.00 O ATOM 883 CB LEU A 57 -0.894 -11.852 2.398 1.00 0.00 C ATOM 884 CG LEU A 57 -1.395 -10.634 1.627 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.373 -11.082 0.545 1.00 0.00 C ATOM 886 CD2 LEU A 57 -2.103 -9.679 2.588 1.00 0.00 C ATOM 0 H LEU A 57 0.467 -13.481 3.783 1.00 0.00 H new ATOM 0 HA LEU A 57 0.840 -10.689 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.480 -12.589 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.721 -12.333 2.920 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.549 -10.125 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.730 -10.212 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.870 -11.763 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.219 -11.591 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.461 -8.809 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.948 -10.189 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.405 -9.358 3.361 1.00 0.00 H new ATOM 898 N GLN A 58 -1.282 -11.512 5.329 1.00 0.00 N ATOM 899 CA GLN A 58 -1.963 -10.931 6.515 1.00 0.00 C ATOM 900 C GLN A 58 -0.912 -10.255 7.392 1.00 0.00 C ATOM 901 O GLN A 58 -1.224 -9.589 8.359 1.00 0.00 O ATOM 902 CB GLN A 58 -2.666 -12.039 7.298 1.00 0.00 C ATOM 903 CG GLN A 58 -4.102 -12.187 6.788 1.00 0.00 C ATOM 904 CD GLN A 58 -4.138 -11.945 5.275 1.00 0.00 C ATOM 905 OE1 GLN A 58 -4.511 -10.778 4.819 1.00 0.00 O flip ATOM 906 NE2 GLN A 58 -3.824 -12.827 4.500 1.00 0.00 N flip ATOM 0 H GLN A 58 -1.470 -12.500 5.156 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.708 -10.200 6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.128 -12.980 7.182 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.668 -11.803 8.362 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.479 -13.184 7.016 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.754 -11.476 7.296 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.533 -13.738 4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.852 -12.656 3.495 1.00 0.00 H new ATOM 915 N GLU A 59 0.337 -10.411 7.046 1.00 0.00 N ATOM 916 CA GLU A 59 1.418 -9.767 7.838 1.00 0.00 C ATOM 917 C GLU A 59 1.489 -8.292 7.446 1.00 0.00 C ATOM 918 O GLU A 59 1.323 -7.410 8.267 1.00 0.00 O ATOM 919 CB GLU A 59 2.753 -10.451 7.533 1.00 0.00 C ATOM 920 CG GLU A 59 2.838 -11.767 8.309 1.00 0.00 C ATOM 921 CD GLU A 59 3.583 -11.533 9.624 1.00 0.00 C ATOM 922 OE1 GLU A 59 3.015 -10.904 10.501 1.00 0.00 O ATOM 923 OE2 GLU A 59 4.710 -11.987 9.730 1.00 0.00 O ATOM 0 H GLU A 59 0.654 -10.959 6.246 1.00 0.00 H new ATOM 0 HA GLU A 59 1.211 -9.859 8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.841 -10.640 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.581 -9.798 7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.837 -12.150 8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.355 -12.520 7.714 1.00 0.00 H new ATOM 930 N MET A 60 1.715 -8.017 6.189 1.00 0.00 N ATOM 931 CA MET A 60 1.771 -6.601 5.737 1.00 0.00 C ATOM 932 C MET A 60 0.377 -5.994 5.876 1.00 0.00 C ATOM 933 O MET A 60 0.206 -4.793 5.870 1.00 0.00 O ATOM 934 CB MET A 60 2.213 -6.544 4.270 1.00 0.00 C ATOM 935 CG MET A 60 1.316 -7.452 3.424 1.00 0.00 C ATOM 936 SD MET A 60 -0.331 -6.717 3.293 1.00 0.00 S ATOM 937 CE MET A 60 -0.581 -7.050 1.533 1.00 0.00 C ATOM 0 H MET A 60 1.863 -8.713 5.458 1.00 0.00 H new ATOM 0 HA MET A 60 2.485 -6.043 6.343 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.158 -5.519 3.903 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.253 -6.859 4.181 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.747 -7.585 2.432 1.00 0.00 H new ATOM 0 HG3 MET A 60 1.250 -8.441 3.878 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.649 -7.063 1.313 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.098 -6.271 0.943 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.147 -8.017 1.281 1.00 0.00 H new ATOM 947 N MET A 61 -0.622 -6.826 6.010 1.00 0.00 N ATOM 948 CA MET A 61 -2.011 -6.312 6.161 1.00 0.00 C ATOM 949 C MET A 61 -2.035 -5.258 7.267 1.00 0.00 C ATOM 950 O MET A 61 -2.433 -4.130 7.056 1.00 0.00 O ATOM 951 CB MET A 61 -2.939 -7.474 6.533 1.00 0.00 C ATOM 952 CG MET A 61 -4.158 -6.947 7.295 1.00 0.00 C ATOM 953 SD MET A 61 -3.827 -6.993 9.073 1.00 0.00 S ATOM 954 CE MET A 61 -5.299 -6.078 9.593 1.00 0.00 C ATOM 0 H MET A 61 -0.533 -7.842 6.021 1.00 0.00 H new ATOM 0 HA MET A 61 -2.348 -5.865 5.226 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.261 -7.996 5.632 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.402 -8.198 7.146 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.382 -5.927 6.983 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.035 -7.551 7.062 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.304 -5.984 10.679 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.289 -5.086 9.142 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.193 -6.613 9.271 1.00 0.00 H new ATOM 964 N LYS A 62 -1.605 -5.617 8.445 1.00 0.00 N ATOM 965 CA LYS A 62 -1.597 -4.634 9.563 1.00 0.00 C ATOM 966 C LYS A 62 -0.782 -3.408 9.148 1.00 0.00 C ATOM 967 O LYS A 62 -1.152 -2.284 9.420 1.00 0.00 O ATOM 968 CB LYS A 62 -0.970 -5.276 10.803 1.00 0.00 C ATOM 969 CG LYS A 62 -1.847 -6.442 11.270 1.00 0.00 C ATOM 970 CD LYS A 62 -1.446 -6.852 12.688 1.00 0.00 C ATOM 971 CE LYS A 62 0.020 -7.285 12.702 1.00 0.00 C ATOM 972 NZ LYS A 62 0.269 -8.235 11.581 1.00 0.00 N ATOM 0 H LYS A 62 -1.259 -6.547 8.681 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.618 -4.331 9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.035 -5.631 10.574 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.873 -4.538 11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.897 -6.151 11.248 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.736 -7.288 10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.596 -6.019 13.374 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.080 -7.668 13.034 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.668 -6.414 12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.261 -7.758 13.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.103 -8.818 11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.560 -8.850 11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.439 -7.701 10.705 1.00 0.00 H new ATOM 986 N GLU A 63 0.324 -3.616 8.483 1.00 0.00 N ATOM 987 CA GLU A 63 1.159 -2.461 8.045 1.00 0.00 C ATOM 988 C GLU A 63 0.499 -1.792 6.836 1.00 0.00 C ATOM 989 O GLU A 63 0.703 -0.623 6.573 1.00 0.00 O ATOM 990 CB GLU A 63 2.553 -2.956 7.654 1.00 0.00 C ATOM 991 CG GLU A 63 3.603 -1.957 8.144 1.00 0.00 C ATOM 992 CD GLU A 63 3.873 -2.190 9.632 1.00 0.00 C ATOM 993 OE1 GLU A 63 2.918 -2.207 10.390 1.00 0.00 O ATOM 994 OE2 GLU A 63 5.029 -2.348 9.986 1.00 0.00 O ATOM 0 H GLU A 63 0.684 -4.535 8.225 1.00 0.00 H new ATOM 0 HA GLU A 63 1.246 -1.743 8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.738 -3.938 8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.620 -3.070 6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.525 -2.073 7.574 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.254 -0.937 7.982 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.295 -2.524 6.102 1.00 0.00 N ATOM 1002 CA PHE A 64 -0.975 -1.932 4.917 1.00 0.00 C ATOM 1003 C PHE A 64 -2.112 -1.028 5.402 1.00 0.00 C ATOM 1004 O PHE A 64 -2.271 0.093 4.958 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.566 -3.055 4.057 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.476 -2.705 2.587 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.522 -1.368 2.164 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.342 -3.729 1.641 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.433 -1.062 0.800 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -1.252 -3.421 0.278 1.00 0.00 C ATOM 1011 CZ PHE A 64 -1.297 -2.087 -0.141 1.00 0.00 C ATOM 0 H PHE A 64 -0.502 -3.508 6.273 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.260 -1.357 4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.032 -3.986 4.248 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.607 -3.222 4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.626 -0.575 2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.308 -4.759 1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.469 -0.033 0.475 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.148 -4.213 -0.449 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.227 -1.849 -1.192 1.00 0.00 H new ATOM 1021 N GLN A 65 -2.913 -1.527 6.309 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.062 -0.735 6.835 1.00 0.00 C ATOM 1023 C GLN A 65 -3.567 0.356 7.789 1.00 0.00 C ATOM 1024 O GLN A 65 -4.330 1.194 8.227 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.000 -1.675 7.600 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.444 -1.161 7.528 1.00 0.00 C ATOM 1027 CD GLN A 65 -7.275 -2.091 6.644 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -6.999 -3.366 6.618 1.00 0.00 O flip ATOM 1029 NE2 GLN A 65 -8.188 -1.654 5.971 1.00 0.00 N flip ATOM 0 H GLN A 65 -2.817 -2.460 6.711 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.584 -0.267 6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.943 -2.679 7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.684 -1.747 8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.874 -1.113 8.528 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.461 -0.148 7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.405 -0.657 5.991 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.738 -2.284 5.387 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.307 0.358 8.120 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.796 1.404 9.049 1.00 0.00 C ATOM 1040 C GLN A 66 -1.422 2.643 8.246 1.00 0.00 C ATOM 1041 O GLN A 66 -1.259 3.721 8.784 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.565 0.882 9.799 1.00 0.00 C ATOM 1043 CG GLN A 66 0.703 1.224 9.015 1.00 0.00 C ATOM 1044 CD GLN A 66 1.080 2.683 9.279 1.00 0.00 C ATOM 1045 OE1 GLN A 66 1.130 3.521 8.281 1.00 0.00 O flip ATOM 1046 NE2 GLN A 66 1.331 3.064 10.405 1.00 0.00 N flip ATOM 0 H GLN A 66 -1.613 -0.313 7.791 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.570 1.655 9.775 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.519 1.325 10.794 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.640 -0.197 9.934 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.518 0.565 9.314 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.540 1.065 7.949 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.292 2.409 11.186 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.581 4.039 10.570 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.286 2.500 6.959 1.00 0.00 N ATOM 1056 CA VAL A 67 -0.922 3.671 6.123 1.00 0.00 C ATOM 1057 C VAL A 67 -2.191 4.400 5.696 1.00 0.00 C ATOM 1058 O VAL A 67 -2.364 5.571 5.969 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.171 3.201 4.878 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.863 4.250 4.469 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.542 1.890 5.179 1.00 0.00 C ATOM 0 H VAL A 67 -1.411 1.624 6.452 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.286 4.342 6.700 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.883 3.056 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.395 3.909 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.359 5.192 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.573 4.398 5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.078 1.555 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.250 2.040 5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.190 1.136 5.467 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.084 3.724 5.024 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.331 4.405 4.591 1.00 0.00 C ATOM 1073 C LEU A 68 -4.897 5.188 5.772 1.00 0.00 C ATOM 1074 O LEU A 68 -5.399 6.285 5.624 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.367 3.386 4.103 1.00 0.00 C ATOM 1076 CG LEU A 68 -5.413 2.182 5.047 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -6.482 2.416 6.115 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -5.764 0.927 4.243 1.00 0.00 C ATOM 0 H LEU A 68 -3.003 2.742 4.760 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.102 5.079 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.350 3.853 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.116 3.057 3.095 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.443 2.052 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.517 1.560 6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.239 3.314 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.453 2.541 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.798 0.065 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.737 1.058 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.007 0.762 3.476 1.00 0.00 H new ATOM 1090 N ASP A 69 -4.810 4.635 6.950 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.329 5.349 8.147 1.00 0.00 C ATOM 1092 C ASP A 69 -4.441 6.563 8.422 1.00 0.00 C ATOM 1093 O ASP A 69 -4.858 7.528 9.030 1.00 0.00 O ATOM 1094 CB ASP A 69 -5.298 4.409 9.354 1.00 0.00 C ATOM 1095 CG ASP A 69 -6.174 4.981 10.469 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -7.286 5.388 10.172 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -5.720 5.003 11.601 1.00 0.00 O ATOM 0 H ASP A 69 -4.401 3.719 7.134 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.354 5.673 7.970 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.656 3.420 9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.274 4.288 9.708 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.216 6.518 7.972 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.294 7.666 8.197 1.00 0.00 C ATOM 1104 C GLU A 70 -2.506 8.708 7.097 1.00 0.00 C ATOM 1105 O GLU A 70 -2.729 9.872 7.367 1.00 0.00 O ATOM 1106 CB GLU A 70 -0.847 7.175 8.162 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.510 6.495 9.490 1.00 0.00 C ATOM 1108 CD GLU A 70 0.284 7.463 10.370 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -0.062 8.633 10.392 1.00 0.00 O ATOM 1110 OE2 GLU A 70 1.225 7.017 11.006 1.00 0.00 O ATOM 0 H GLU A 70 -2.814 5.734 7.458 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.500 8.113 9.169 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.708 6.476 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.171 8.012 7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.425 6.192 9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.070 5.590 9.311 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.442 8.299 5.859 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.644 9.270 4.748 1.00 0.00 C ATOM 1119 C ILE A 71 -4.097 9.747 4.761 1.00 0.00 C ATOM 1120 O ILE A 71 -4.371 10.927 4.680 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.334 8.598 3.408 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.673 7.237 3.655 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.383 9.488 2.604 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -0.970 6.767 2.380 1.00 0.00 C ATOM 0 H ILE A 71 -2.259 7.338 5.570 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.976 10.121 4.880 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.260 8.453 2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.954 7.313 4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.423 6.507 3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.160 9.013 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.853 10.456 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.458 9.631 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.501 5.799 2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.700 6.674 1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.208 7.493 2.096 1.00 0.00 H new ATOM 1136 N LYS A 72 -5.029 8.839 4.873 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.461 9.249 4.904 1.00 0.00 C ATOM 1138 C LYS A 72 -6.600 10.481 5.799 1.00 0.00 C ATOM 1139 O LYS A 72 -7.492 11.288 5.630 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.306 8.103 5.469 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.744 8.578 5.688 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.585 7.419 6.231 1.00 0.00 C ATOM 1143 CE LYS A 72 -10.792 7.972 6.992 1.00 0.00 C ATOM 1144 NZ LYS A 72 -11.612 6.840 7.513 1.00 0.00 N ATOM 0 H LYS A 72 -4.861 7.835 4.944 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.805 9.484 3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.294 7.257 4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.881 7.755 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.760 9.413 6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.166 8.940 4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.920 6.784 5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.981 6.796 6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.458 8.603 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.394 8.599 6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.433 7.215 8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.941 6.255 6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.035 6.259 8.154 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.714 10.635 6.743 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.781 11.818 7.641 1.00 0.00 C ATOM 1160 C GLN A 73 -5.087 12.999 6.959 1.00 0.00 C ATOM 1161 O GLN A 73 -5.475 14.138 7.122 1.00 0.00 O ATOM 1162 CB GLN A 73 -5.075 11.500 8.962 1.00 0.00 C ATOM 1163 CG GLN A 73 -6.073 10.879 9.944 1.00 0.00 C ATOM 1164 CD GLN A 73 -5.486 10.916 11.356 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -4.596 11.694 11.636 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -5.949 10.101 12.264 1.00 0.00 N ATOM 0 H GLN A 73 -4.946 9.991 6.931 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.822 12.069 7.844 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.247 10.813 8.787 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.650 12.410 9.387 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.016 11.425 9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.292 9.851 9.656 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.696 9.448 12.029 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.564 10.117 13.208 1.00 0.00 H new ATOM 1175 N GLN A 74 -4.069 12.733 6.184 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.361 13.840 5.482 1.00 0.00 C ATOM 1177 C GLN A 74 -4.369 14.599 4.621 1.00 0.00 C ATOM 1178 O GLN A 74 -4.264 15.794 4.426 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.259 13.263 4.589 1.00 0.00 C ATOM 1180 CG GLN A 74 -1.130 12.716 5.465 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.466 13.868 6.224 1.00 0.00 C ATOM 1182 OE1 GLN A 74 0.183 14.784 5.559 1.00 0.00 O flip ATOM 1183 NE2 GLN A 74 -0.539 13.932 7.435 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.699 11.799 6.008 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.912 14.513 6.212 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.663 12.470 3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.875 14.035 3.922 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.524 11.983 6.169 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.394 12.201 4.848 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.047 13.215 7.954 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.093 14.702 7.933 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.350 13.909 4.110 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.376 14.579 3.267 1.00 0.00 C ATOM 1194 C LEU A 75 -6.965 15.762 4.038 1.00 0.00 C ATOM 1195 O LEU A 75 -7.785 16.501 3.531 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.488 13.580 2.933 1.00 0.00 C ATOM 1197 CG LEU A 75 -7.077 12.739 1.722 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.863 13.649 0.511 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.776 11.996 2.036 1.00 0.00 C ATOM 0 H LEU A 75 -5.485 12.906 4.241 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.920 14.936 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.679 12.933 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.416 14.111 2.721 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.865 12.019 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.570 13.047 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.789 14.178 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.077 14.371 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.482 11.397 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.990 12.717 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.928 11.344 2.896 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.551 15.949 5.264 1.00 0.00 N ATOM 1212 CA GLN A 76 -7.087 17.085 6.065 1.00 0.00 C ATOM 1213 C GLN A 76 -6.322 18.362 5.713 1.00 0.00 C ATOM 1214 O GLN A 76 -6.467 19.382 6.358 1.00 0.00 O ATOM 1215 CB GLN A 76 -6.918 16.786 7.558 1.00 0.00 C ATOM 1216 CG GLN A 76 -7.877 15.668 7.968 1.00 0.00 C ATOM 1217 CD GLN A 76 -9.031 16.256 8.781 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -9.400 17.491 8.570 1.00 0.00 O flip ATOM 1219 NE2 GLN A 76 -9.602 15.587 9.619 1.00 0.00 N flip ATOM 0 H GLN A 76 -5.866 15.364 5.743 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.145 17.219 5.840 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.889 16.491 7.766 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.117 17.683 8.144 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.263 15.163 7.083 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.348 14.919 8.557 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.314 14.622 9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.369 15.990 10.157 1.00 0.00 H new ATOM 1228 N GLY A 77 -5.509 18.317 4.693 1.00 0.00 N ATOM 1229 CA GLY A 77 -4.738 19.530 4.302 1.00 0.00 C ATOM 1230 C GLY A 77 -4.832 19.725 2.788 1.00 0.00 C ATOM 1231 O GLY A 77 -5.728 19.220 2.142 1.00 0.00 O ATOM 0 H GLY A 77 -5.346 17.493 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.131 20.406 4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.696 19.424 4.602 1.00 0.00 H new ATOM 1235 N GLY A 78 -3.912 20.453 2.218 1.00 0.00 N ATOM 1236 CA GLY A 78 -3.948 20.680 0.745 1.00 0.00 C ATOM 1237 C GLY A 78 -3.359 19.466 0.025 1.00 0.00 C ATOM 1238 O GLY A 78 -2.314 19.542 -0.590 1.00 0.00 O ATOM 0 H GLY A 78 -3.137 20.900 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.974 20.847 0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.382 21.576 0.491 1.00 0.00 H new ATOM 1242 N ASP A 79 -4.024 18.344 0.094 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.505 17.125 -0.588 1.00 0.00 C ATOM 1244 C ASP A 79 -4.590 16.559 -1.510 1.00 0.00 C ATOM 1245 O ASP A 79 -4.748 15.361 -1.638 1.00 0.00 O ATOM 1246 CB ASP A 79 -3.123 16.075 0.461 1.00 0.00 C ATOM 1247 CG ASP A 79 -3.567 16.551 1.847 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -4.624 17.151 1.934 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -2.840 16.305 2.796 1.00 0.00 O ATOM 0 H ASP A 79 -4.905 18.220 0.594 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.625 17.383 -1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.594 15.121 0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.046 15.910 0.450 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.343 17.413 -2.151 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.422 16.926 -3.060 1.00 0.00 C ATOM 1256 C ASN A 80 -5.845 15.920 -4.055 1.00 0.00 C ATOM 1257 O ASN A 80 -6.566 15.304 -4.816 1.00 0.00 O ATOM 1258 CB ASN A 80 -7.023 18.109 -3.822 1.00 0.00 C ATOM 1259 CG ASN A 80 -6.649 19.415 -3.118 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -6.893 19.548 -1.842 1.00 0.00 O flip ATOM 1261 ND2 ASN A 80 -6.132 20.324 -3.735 1.00 0.00 N flip ATOM 0 H ASN A 80 -5.258 18.427 -2.084 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.198 16.442 -2.467 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.655 18.119 -4.848 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.107 18.009 -3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.941 20.220 -4.732 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.888 21.191 -3.257 1.00 0.00 H new ATOM 1268 N SER A 81 -4.556 15.731 -4.047 1.00 0.00 N ATOM 1269 CA SER A 81 -3.949 14.749 -4.981 1.00 0.00 C ATOM 1270 C SER A 81 -4.079 13.369 -4.349 1.00 0.00 C ATOM 1271 O SER A 81 -4.491 12.417 -4.981 1.00 0.00 O ATOM 1272 CB SER A 81 -2.473 15.085 -5.200 1.00 0.00 C ATOM 1273 OG SER A 81 -2.257 15.380 -6.573 1.00 0.00 O ATOM 0 H SER A 81 -3.899 16.214 -3.434 1.00 0.00 H new ATOM 0 HA SER A 81 -4.454 14.776 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.187 15.937 -4.584 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.848 14.246 -4.894 1.00 0.00 H new ATOM 0 HG SER A 81 -1.604 14.751 -6.944 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.754 13.262 -3.090 1.00 0.00 N ATOM 1280 CA LEU A 82 -3.883 11.954 -2.401 1.00 0.00 C ATOM 1281 C LEU A 82 -5.330 11.493 -2.525 1.00 0.00 C ATOM 1282 O LEU A 82 -5.613 10.332 -2.747 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.520 12.112 -0.929 1.00 0.00 C ATOM 1284 CG LEU A 82 -2.016 11.915 -0.769 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.279 12.854 -1.722 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.608 12.231 0.665 1.00 0.00 C ATOM 0 H LEU A 82 -3.405 14.026 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.213 11.222 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.811 13.100 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.062 11.383 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.760 10.881 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.204 12.716 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.569 12.631 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.538 13.887 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.533 12.090 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.864 13.265 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.135 11.565 1.348 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.253 12.407 -2.395 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.688 12.040 -2.519 1.00 0.00 C ATOM 1300 C HIS A 83 -7.846 11.119 -3.726 1.00 0.00 C ATOM 1301 O HIS A 83 -8.760 10.321 -3.802 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.525 13.305 -2.725 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.769 13.228 -1.883 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.037 14.144 -0.874 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.824 12.350 -1.882 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -11.212 13.797 -0.314 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -11.729 12.713 -0.892 1.00 0.00 N ATOM 0 H HIS A 83 -6.072 13.393 -2.208 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.027 11.535 -1.614 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -7.944 14.186 -2.454 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.791 13.410 -3.777 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.934 11.507 -2.548 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.677 14.331 0.502 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.606 12.247 -0.657 1.00 0.00 H new ATOM 1316 N ASN A 84 -6.950 11.223 -4.669 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.027 10.356 -5.877 1.00 0.00 C ATOM 1318 C ASN A 84 -6.063 9.178 -5.714 1.00 0.00 C ATOM 1319 O ASN A 84 -6.309 8.091 -6.200 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.635 11.167 -7.114 1.00 0.00 C ATOM 1321 CG ASN A 84 -7.897 11.588 -7.871 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -8.252 10.986 -8.864 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -8.591 12.606 -7.440 1.00 0.00 N ATOM 0 H ASN A 84 -6.165 11.874 -4.654 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.045 9.984 -5.996 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.065 12.048 -6.819 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.991 10.573 -7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.433 12.897 -7.937 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.292 13.111 -6.606 1.00 0.00 H new ATOM 1330 N VAL A 85 -4.965 9.385 -5.034 1.00 0.00 N ATOM 1331 CA VAL A 85 -3.989 8.280 -4.843 1.00 0.00 C ATOM 1332 C VAL A 85 -4.326 7.516 -3.560 1.00 0.00 C ATOM 1333 O VAL A 85 -4.363 6.301 -3.543 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.583 8.868 -4.732 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.566 7.849 -5.236 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.492 10.136 -5.582 1.00 0.00 C ATOM 0 H VAL A 85 -4.705 10.273 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.036 7.598 -5.692 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.372 9.111 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.562 8.267 -5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.630 6.943 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.778 7.608 -6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.489 10.556 -5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.702 9.892 -6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.220 10.865 -5.226 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.575 8.215 -2.486 1.00 0.00 N ATOM 1347 CA HIS A 86 -4.913 7.523 -1.211 1.00 0.00 C ATOM 1348 C HIS A 86 -6.088 6.575 -1.453 1.00 0.00 C ATOM 1349 O HIS A 86 -6.195 5.534 -0.837 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.285 8.566 -0.149 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.345 8.015 0.768 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -6.431 6.837 1.472 1.00 0.00 N flip ATOM 1353 CD2 HIS A 86 -7.510 8.713 1.054 1.00 0.00 C flip ATOM 1354 CE1 HIS A 86 -7.626 6.808 2.180 1.00 0.00 C flip ATOM 1355 NE2 HIS A 86 -8.239 7.958 1.897 1.00 0.00 N flip ATOM 0 H HIS A 86 -4.559 9.234 -2.437 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.056 6.950 -0.859 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.402 8.841 0.427 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.646 9.474 -0.631 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -7.782 9.685 0.670 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.984 6.019 2.825 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -9.147 8.231 2.273 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.968 6.924 -2.348 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.128 6.037 -2.630 1.00 0.00 C ATOM 1366 C GLU A 87 -7.633 4.766 -3.320 1.00 0.00 C ATOM 1367 O GLU A 87 -8.302 3.752 -3.331 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.119 6.760 -3.543 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.505 6.133 -3.388 1.00 0.00 C ATOM 1370 CD GLU A 87 -11.513 6.906 -4.239 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -11.392 6.861 -5.451 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -12.388 7.531 -3.664 1.00 0.00 O ATOM 0 H GLU A 87 -6.934 7.784 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.624 5.778 -1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.157 7.820 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.791 6.692 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.479 5.088 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.808 6.150 -2.341 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.461 4.812 -3.894 1.00 0.00 N ATOM 1380 CA ASN A 88 -5.920 3.605 -4.579 1.00 0.00 C ATOM 1381 C ASN A 88 -5.681 2.505 -3.548 1.00 0.00 C ATOM 1382 O ASN A 88 -6.261 1.441 -3.617 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.601 3.954 -5.269 1.00 0.00 C ATOM 1384 CG ASN A 88 -4.864 4.959 -6.391 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -6.001 5.231 -6.724 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -3.855 5.526 -6.992 1.00 0.00 N ATOM 0 H ASN A 88 -5.856 5.633 -3.918 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.635 3.258 -5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.900 4.374 -4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.140 3.053 -5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.020 6.198 -7.742 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.901 5.298 -6.712 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.836 2.753 -2.584 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.573 1.718 -1.548 1.00 0.00 C ATOM 1395 C ILE A 89 -5.891 1.015 -1.217 1.00 0.00 C ATOM 1396 O ILE A 89 -5.967 -0.196 -1.172 1.00 0.00 O ATOM 1397 CB ILE A 89 -4.002 2.388 -0.287 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.520 2.706 -0.515 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.140 1.450 0.919 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.827 2.932 0.832 1.00 0.00 C ATOM 0 H ILE A 89 -4.319 3.625 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.850 0.990 -1.916 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.555 3.306 -0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.040 1.886 -1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.421 3.594 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.732 1.935 1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.193 1.220 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.593 0.527 0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.774 3.158 0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.300 3.767 1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.914 2.032 1.441 1.00 0.00 H new ATOM 1412 N LYS A 90 -6.926 1.772 -0.981 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.245 1.161 -0.645 1.00 0.00 C ATOM 1414 C LYS A 90 -8.540 -0.016 -1.581 1.00 0.00 C ATOM 1415 O LYS A 90 -8.704 -1.138 -1.146 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.344 2.218 -0.792 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.078 2.386 0.541 1.00 0.00 C ATOM 1418 CD LYS A 90 -11.049 3.564 0.444 1.00 0.00 C ATOM 1419 CE LYS A 90 -12.109 3.266 -0.616 1.00 0.00 C ATOM 1420 NZ LYS A 90 -13.387 3.935 -0.242 1.00 0.00 N ATOM 0 H LYS A 90 -6.916 2.792 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.217 0.796 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.909 3.168 -1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.047 1.921 -1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.620 1.473 0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.361 2.557 1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.524 3.738 1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.508 4.475 0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.773 3.619 -1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.261 2.190 -0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.109 3.733 -0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.709 3.578 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.236 4.962 -0.182 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.623 0.230 -2.860 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.923 -0.879 -3.813 1.00 0.00 C ATOM 1436 C GLU A 91 -7.665 -1.715 -4.058 1.00 0.00 C ATOM 1437 O GLU A 91 -7.732 -2.916 -4.228 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.411 -0.292 -5.139 1.00 0.00 C ATOM 1439 CG GLU A 91 -8.450 0.807 -5.599 1.00 0.00 C ATOM 1440 CD GLU A 91 -8.901 1.344 -6.960 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -9.978 1.914 -7.021 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -8.161 1.178 -7.915 1.00 0.00 O ATOM 0 H GLU A 91 -8.497 1.148 -3.286 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.697 -1.517 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.472 -1.075 -5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.415 0.115 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.427 1.614 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.436 0.412 -5.670 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.521 -1.091 -4.083 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.260 -1.851 -4.325 1.00 0.00 C ATOM 1451 C ILE A 92 -4.986 -2.787 -3.145 1.00 0.00 C ATOM 1452 O ILE A 92 -4.849 -3.984 -3.303 1.00 0.00 O ATOM 1453 CB ILE A 92 -4.101 -0.858 -4.476 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.857 -0.578 -5.964 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.828 -1.431 -3.844 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -3.480 -1.876 -6.685 1.00 0.00 C ATOM 0 H ILE A 92 -6.403 -0.087 -3.946 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.358 -2.445 -5.234 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.360 0.071 -3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.753 -0.149 -6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.060 0.156 -6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.012 -0.717 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.001 -1.619 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.564 -2.365 -4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.308 -1.669 -7.741 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.572 -2.287 -6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.291 -2.597 -6.584 1.00 0.00 H new ATOM 1468 N PHE A 93 -4.890 -2.245 -1.966 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.609 -3.089 -0.774 1.00 0.00 C ATOM 1470 C PHE A 93 -5.648 -4.209 -0.676 1.00 0.00 C ATOM 1471 O PHE A 93 -5.312 -5.376 -0.616 1.00 0.00 O ATOM 1472 CB PHE A 93 -4.665 -2.202 0.471 1.00 0.00 C ATOM 1473 CG PHE A 93 -4.656 -3.028 1.734 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.147 -4.333 1.736 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.154 -2.470 2.915 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.140 -5.075 2.920 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.148 -3.211 4.097 1.00 0.00 C ATOM 1478 CZ PHE A 93 -4.642 -4.516 4.101 1.00 0.00 C ATOM 0 H PHE A 93 -4.995 -1.248 -1.775 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.622 -3.543 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.814 -1.521 0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.565 -1.588 0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.761 -4.765 0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.544 -1.463 2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.747 -6.081 2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.533 -2.778 5.008 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.639 -5.091 5.015 1.00 0.00 H new ATOM 1488 N HIS A 94 -6.906 -3.867 -0.668 1.00 0.00 N ATOM 1489 CA HIS A 94 -7.964 -4.914 -0.580 1.00 0.00 C ATOM 1490 C HIS A 94 -7.889 -5.821 -1.811 1.00 0.00 C ATOM 1491 O HIS A 94 -8.575 -6.820 -1.898 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.337 -4.244 -0.534 1.00 0.00 C ATOM 1493 CG HIS A 94 -10.171 -4.862 0.556 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -11.204 -4.173 1.175 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.141 -6.103 1.145 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -11.749 -4.994 2.092 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -11.137 -6.179 2.112 1.00 0.00 N ATOM 0 H HIS A 94 -7.248 -2.907 -0.719 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.813 -5.507 0.322 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.224 -3.175 -0.356 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.838 -4.356 -1.495 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.451 -6.896 0.896 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.578 -4.727 2.731 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.354 -6.975 2.712 1.00 0.00 H new ATOM 1506 N HIS A 95 -7.065 -5.482 -2.764 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.959 -6.332 -3.984 1.00 0.00 C ATOM 1508 C HIS A 95 -6.084 -7.546 -3.675 1.00 0.00 C ATOM 1509 O HIS A 95 -6.427 -8.667 -3.994 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.334 -5.527 -5.127 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.148 -5.710 -6.380 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -7.013 -6.827 -7.193 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -8.107 -4.927 -6.974 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -7.870 -6.687 -8.221 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.558 -5.547 -8.133 1.00 0.00 N ATOM 0 H HIS A 95 -6.464 -4.658 -2.752 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.954 -6.662 -4.284 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.292 -4.471 -4.860 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.308 -5.854 -5.297 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.457 -3.977 -6.599 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -7.986 -7.407 -9.017 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.267 -5.203 -8.781 1.00 0.00 H new ATOM 1524 N LEU A 96 -4.957 -7.335 -3.053 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.072 -8.483 -2.722 1.00 0.00 C ATOM 1526 C LEU A 96 -4.875 -9.520 -1.941 1.00 0.00 C ATOM 1527 O LEU A 96 -4.982 -10.661 -2.344 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.887 -7.998 -1.884 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.591 -8.555 -2.477 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.417 -8.217 -1.557 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.708 -10.074 -2.613 1.00 0.00 C ATOM 0 H LEU A 96 -4.613 -6.420 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.692 -8.932 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.857 -6.908 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.999 -8.326 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.421 -8.110 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.505 -8.615 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.333 -7.135 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.585 -8.660 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.786 -10.474 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.878 -10.515 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.543 -10.317 -3.270 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.459 -9.140 -0.836 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.266 -10.123 -0.068 1.00 0.00 C ATOM 1545 C GLU A 97 -7.232 -10.804 -1.035 1.00 0.00 C ATOM 1546 O GLU A 97 -7.881 -11.775 -0.705 1.00 0.00 O ATOM 1547 CB GLU A 97 -7.052 -9.402 1.029 1.00 0.00 C ATOM 1548 CG GLU A 97 -7.632 -10.431 2.001 1.00 0.00 C ATOM 1549 CD GLU A 97 -8.866 -9.843 2.688 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -8.692 -9.060 3.607 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -9.964 -10.186 2.282 1.00 0.00 O ATOM 0 H GLU A 97 -5.412 -8.202 -0.438 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.616 -10.863 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.401 -8.709 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.854 -8.810 0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.900 -11.342 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.885 -10.706 2.745 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.321 -10.298 -2.238 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.232 -10.908 -3.243 1.00 0.00 C ATOM 1560 C GLU A 98 -7.478 -11.999 -4.001 1.00 0.00 C ATOM 1561 O GLU A 98 -8.017 -13.049 -4.293 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.706 -9.834 -4.225 1.00 0.00 C ATOM 1563 CG GLU A 98 -10.098 -10.195 -4.746 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.704 -8.985 -5.460 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -10.371 -7.874 -5.084 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -11.490 -9.193 -6.370 1.00 0.00 O ATOM 0 H GLU A 98 -6.799 -9.485 -2.565 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.098 -11.340 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.732 -8.862 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.005 -9.752 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.034 -11.041 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.739 -10.502 -3.920 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.230 -11.771 -4.313 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.454 -12.811 -5.037 1.00 0.00 C ATOM 1575 C LEU A 99 -5.326 -14.031 -4.128 1.00 0.00 C ATOM 1576 O LEU A 99 -4.726 -15.028 -4.478 1.00 0.00 O ATOM 1577 CB LEU A 99 -4.063 -12.271 -5.377 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.135 -11.456 -6.668 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.211 -10.243 -6.561 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.695 -12.329 -7.846 1.00 0.00 C ATOM 0 H LEU A 99 -5.720 -10.914 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.960 -13.084 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.693 -11.649 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.359 -13.095 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.159 -11.118 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.264 -9.663 -7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.523 -9.621 -5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.186 -10.579 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.746 -11.749 -8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.671 -12.667 -7.686 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.354 -13.193 -7.924 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.889 -13.947 -2.953 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.811 -15.084 -1.995 1.00 0.00 C ATOM 1594 C VAL A 100 -7.222 -15.483 -1.556 1.00 0.00 C ATOM 1595 O VAL A 100 -7.468 -16.609 -1.174 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.989 -14.650 -0.784 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -4.103 -13.475 -1.183 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.919 -14.211 0.346 1.00 0.00 C ATOM 0 H VAL A 100 -6.403 -13.133 -2.615 1.00 0.00 H new ATOM 0 HA VAL A 100 -5.336 -15.942 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.378 -15.486 -0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.511 -13.157 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.437 -13.779 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.727 -12.647 -1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.325 -13.903 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.531 -13.375 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.565 -15.042 0.629 1.00 0.00 H new ATOM 1608 N HIS A 101 -8.145 -14.564 -1.597 1.00 0.00 N ATOM 1609 CA HIS A 101 -9.531 -14.890 -1.170 1.00 0.00 C ATOM 1610 C HIS A 101 -10.143 -15.909 -2.135 1.00 0.00 C ATOM 1611 O HIS A 101 -11.341 -15.949 -2.331 1.00 0.00 O ATOM 1612 CB HIS A 101 -10.381 -13.618 -1.170 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.631 -13.848 -0.366 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -11.605 -13.999 1.014 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -12.951 -13.956 -0.730 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -12.873 -14.186 1.426 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -13.728 -14.167 0.402 1.00 0.00 N ATOM 0 H HIS A 101 -7.999 -13.603 -1.907 1.00 0.00 H new ATOM 0 HA HIS A 101 -9.506 -15.312 -0.165 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.813 -12.789 -0.749 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.639 -13.341 -2.192 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -13.327 -13.887 -1.740 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.162 -14.333 2.456 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.741 -14.283 0.442 1.00 0.00 H new ATOM 1626 N ARG A 102 -9.331 -16.734 -2.740 1.00 0.00 N ATOM 1627 CA ARG A 102 -9.871 -17.747 -3.692 1.00 0.00 C ATOM 1628 C ARG A 102 -10.067 -19.078 -2.964 1.00 0.00 C ATOM 1629 O ARG A 102 -9.137 -19.512 -2.304 1.00 0.00 O ATOM 1630 CB ARG A 102 -8.887 -17.937 -4.847 1.00 0.00 C ATOM 1631 CG ARG A 102 -8.419 -16.570 -5.347 1.00 0.00 C ATOM 1632 CD ARG A 102 -7.469 -16.752 -6.533 1.00 0.00 C ATOM 1633 NE ARG A 102 -7.400 -18.195 -6.901 1.00 0.00 N ATOM 1634 CZ ARG A 102 -7.142 -18.541 -8.132 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -6.943 -17.625 -9.039 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -7.078 -19.804 -8.455 1.00 0.00 N ATOM 1637 OXT ARG A 102 -11.144 -19.641 -3.079 1.00 0.00 O ATOM 0 H ARG A 102 -8.319 -16.750 -2.616 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.828 -17.403 -4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.032 -18.528 -4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.363 -18.489 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.277 -15.968 -5.645 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.915 -16.031 -4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.816 -16.166 -7.384 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.476 -16.384 -6.276 1.00 0.00 H new ATOM 0 HE ARG A 102 -7.554 -18.911 -6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.989 -16.638 -8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.741 -17.896 -10.002 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -7.230 -20.520 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.876 -20.075 -9.418 1.00 0.00 H new TER 1651 ARG A 102