USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 10 HIS HD1 : A 10 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 75 ASN :FLIP amide:sc= -4.19! C(o=-19!,f=-10!) USER MOD Set 1.2: A 77 THR OG1 : rot 81:sc= -6.27! USER MOD Set 2.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 73 THR OG1 : rot 136:sc= 0.856 USER MOD Set 3.1: A 31 GLN :FLIP amide:sc= -8.29! C(o=-11!,f=-8.3!) USER MOD Set 3.2: A 32 SER OG : rot 102:sc= 0.0284 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0947 (180deg=-0.726) USER MOD Single : A 4 SER OG : rot 180:sc= -0.448! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.35 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -132:sc= 1.09 (180deg=0.428) USER MOD Single : A 26 SER OG : rot -49:sc= -1.22 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 36 THR OG1 : rot -94:sc= -1.05! USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -4.13 F(o=-5.3!,f=-4.1) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -155:sc= -2.11 USER MOD Single : A 62 THR OG1 : rot -56:sc= -0.29! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -111:sc=-0.00592 (180deg=-0.526) USER MOD Single : A 69 LYS NZ :NH3+ -104:sc= 1.18 (180deg=-0.954) USER MOD Single : A 71 ASN : amide:sc= -3.55! C(o=-3.6!,f=-5!) USER MOD Single : A 78 THR OG1 : rot -110:sc= -2.41! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -118:sc= -0.467 (180deg=-1.8) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.528 -1.516 -3.982 1.00 0.00 N ATOM 2 CA MET A 1 20.910 -1.207 -2.575 1.00 0.00 C ATOM 3 C MET A 1 20.113 0.002 -2.084 1.00 0.00 C ATOM 4 O MET A 1 20.516 1.135 -2.256 1.00 0.00 O ATOM 5 CB MET A 1 22.407 -0.893 -2.511 1.00 0.00 C ATOM 6 CG MET A 1 23.183 -1.935 -3.319 1.00 0.00 C ATOM 7 SD MET A 1 22.781 -3.591 -2.710 1.00 0.00 S ATOM 8 CE MET A 1 24.005 -4.495 -3.688 1.00 0.00 C ATOM 0 H1 MET A 1 20.790 -2.497 -4.205 1.00 0.00 H new ATOM 0 H2 MET A 1 19.501 -1.397 -4.097 1.00 0.00 H new ATOM 0 H3 MET A 1 21.026 -0.870 -4.627 1.00 0.00 H new ATOM 0 HA MET A 1 20.692 -2.067 -1.941 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.597 0.105 -2.907 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.746 -0.895 -1.475 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.930 -1.853 -4.376 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.254 -1.754 -3.232 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.934 -5.560 -3.466 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.816 -4.332 -4.749 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.005 -4.139 -3.439 1.00 0.00 H new ATOM 18 N GLY A 2 18.984 -0.229 -1.472 1.00 0.00 N ATOM 19 CA GLY A 2 18.163 0.907 -0.970 1.00 0.00 C ATOM 20 C GLY A 2 18.795 1.473 0.303 1.00 0.00 C ATOM 21 O GLY A 2 19.477 0.779 1.029 1.00 0.00 O ATOM 0 H GLY A 2 18.595 -1.156 -1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 2 18.095 1.684 -1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 2 17.146 0.572 -0.765 1.00 0.00 H new ATOM 25 N ASP A 3 18.573 2.729 0.579 1.00 0.00 N ATOM 26 CA ASP A 3 19.161 3.339 1.806 1.00 0.00 C ATOM 27 C ASP A 3 18.301 4.526 2.245 1.00 0.00 C ATOM 28 O ASP A 3 18.199 5.520 1.554 1.00 0.00 O ATOM 29 CB ASP A 3 20.583 3.820 1.505 1.00 0.00 C ATOM 30 CG ASP A 3 21.337 4.049 2.816 1.00 0.00 C ATOM 31 OD1 ASP A 3 20.682 4.264 3.823 1.00 0.00 O ATOM 32 OD2 ASP A 3 22.555 4.007 2.791 1.00 0.00 O ATOM 0 H ASP A 3 18.010 3.359 0.008 1.00 0.00 H new ATOM 0 HA ASP A 3 19.191 2.597 2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 3 21.106 3.082 0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 3 20.550 4.743 0.927 1.00 0.00 H new ATOM 37 N SER A 4 17.679 4.429 3.388 1.00 0.00 N ATOM 38 CA SER A 4 16.824 5.550 3.867 1.00 0.00 C ATOM 39 C SER A 4 16.059 5.109 5.117 1.00 0.00 C ATOM 40 O SER A 4 16.206 3.998 5.588 1.00 0.00 O ATOM 41 CB SER A 4 15.832 5.939 2.768 1.00 0.00 C ATOM 42 OG SER A 4 14.589 6.299 3.357 1.00 0.00 O ATOM 0 H SER A 4 17.726 3.622 4.010 1.00 0.00 H new ATOM 0 HA SER A 4 17.450 6.409 4.110 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.226 6.772 2.186 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.692 5.107 2.078 1.00 0.00 H new ATOM 0 HG SER A 4 13.954 6.550 2.654 1.00 0.00 H new ATOM 48 N ARG A 5 15.242 5.974 5.659 1.00 0.00 N ATOM 49 CA ARG A 5 14.459 5.616 6.879 1.00 0.00 C ATOM 50 C ARG A 5 12.990 5.422 6.491 1.00 0.00 C ATOM 51 O ARG A 5 12.318 4.536 6.978 1.00 0.00 O ATOM 52 CB ARG A 5 14.581 6.744 7.918 1.00 0.00 C ATOM 53 CG ARG A 5 15.451 7.873 7.356 1.00 0.00 C ATOM 54 CD ARG A 5 15.600 8.978 8.403 1.00 0.00 C ATOM 55 NE ARG A 5 16.067 10.230 7.740 1.00 0.00 N ATOM 56 CZ ARG A 5 16.704 11.138 8.429 1.00 0.00 C ATOM 57 NH1 ARG A 5 17.112 12.231 7.847 1.00 0.00 N ATOM 58 NH2 ARG A 5 16.932 10.952 9.701 1.00 0.00 N ATOM 0 H ARG A 5 15.083 6.918 5.307 1.00 0.00 H new ATOM 0 HA ARG A 5 14.847 4.693 7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.592 7.126 8.172 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.019 6.358 8.838 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.432 7.486 7.079 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.000 8.276 6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.647 9.152 8.902 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.311 8.673 9.171 1.00 0.00 H new ATOM 0 HE ARG A 5 15.888 10.377 6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.934 12.377 6.853 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.610 12.940 8.385 1.00 0.00 H new ATOM 0 HH21 ARG A 5 16.613 10.097 10.157 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.430 11.661 10.239 1.00 0.00 H new ATOM 72 N ASP A 6 12.492 6.247 5.611 1.00 0.00 N ATOM 73 CA ASP A 6 11.071 6.119 5.181 1.00 0.00 C ATOM 74 C ASP A 6 10.942 4.942 4.211 1.00 0.00 C ATOM 75 O ASP A 6 9.899 4.329 4.094 1.00 0.00 O ATOM 76 CB ASP A 6 10.642 7.415 4.481 1.00 0.00 C ATOM 77 CG ASP A 6 9.209 7.775 4.886 1.00 0.00 C ATOM 78 OD1 ASP A 6 8.899 8.955 4.900 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.450 6.866 5.174 1.00 0.00 O ATOM 0 H ASP A 6 13.010 7.007 5.170 1.00 0.00 H new ATOM 0 HA ASP A 6 10.433 5.944 6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.320 8.225 4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.704 7.293 3.400 1.00 0.00 H new ATOM 84 N LEU A 7 11.993 4.630 3.506 1.00 0.00 N ATOM 85 CA LEU A 7 11.932 3.500 2.536 1.00 0.00 C ATOM 86 C LEU A 7 11.936 2.165 3.294 1.00 0.00 C ATOM 87 O LEU A 7 12.369 2.083 4.425 1.00 0.00 O ATOM 88 CB LEU A 7 13.126 3.611 1.555 1.00 0.00 C ATOM 89 CG LEU A 7 14.303 2.680 1.932 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.671 2.826 3.419 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.954 1.215 1.609 1.00 0.00 C ATOM 0 H LEU A 7 12.892 5.108 3.559 1.00 0.00 H new ATOM 0 HA LEU A 7 11.010 3.545 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.786 3.369 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.478 4.643 1.534 1.00 0.00 H new ATOM 0 HG LEU A 7 15.169 2.975 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.501 2.160 3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 7 14.963 3.856 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.810 2.565 4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.792 0.573 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.071 0.918 2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.751 1.116 0.543 1.00 0.00 H new ATOM 103 N CYS A 8 11.447 1.120 2.673 1.00 0.00 N ATOM 104 CA CYS A 8 11.415 -0.220 3.336 1.00 0.00 C ATOM 105 C CYS A 8 12.103 -1.237 2.416 1.00 0.00 C ATOM 106 O CYS A 8 12.234 -1.020 1.231 1.00 0.00 O ATOM 107 CB CYS A 8 9.953 -0.642 3.607 1.00 0.00 C ATOM 108 SG CYS A 8 9.590 -2.230 2.791 1.00 0.00 S ATOM 0 H CYS A 8 11.066 1.139 1.727 1.00 0.00 H new ATOM 0 HA CYS A 8 11.939 -0.176 4.291 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.786 -0.731 4.681 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.272 0.126 3.241 1.00 0.00 H new ATOM 113 N PRO A 9 12.548 -2.336 2.960 1.00 0.00 N ATOM 114 CA PRO A 9 13.245 -3.405 2.179 1.00 0.00 C ATOM 115 C PRO A 9 12.403 -3.868 0.989 1.00 0.00 C ATOM 116 O PRO A 9 12.831 -3.835 -0.148 1.00 0.00 O ATOM 117 CB PRO A 9 13.405 -4.550 3.195 1.00 0.00 C ATOM 118 CG PRO A 9 12.446 -4.225 4.291 1.00 0.00 C ATOM 119 CD PRO A 9 12.430 -2.706 4.370 1.00 0.00 C ATOM 0 HA PRO A 9 14.191 -3.061 1.760 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.176 -5.515 2.743 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.427 -4.607 3.568 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.453 -4.618 4.075 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.764 -4.665 5.236 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.510 -2.329 4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.256 -2.318 4.966 1.00 0.00 H new ATOM 127 N HIS A 10 11.205 -4.297 1.256 1.00 0.00 N ATOM 128 CA HIS A 10 10.306 -4.769 0.161 1.00 0.00 C ATOM 129 C HIS A 10 9.747 -3.558 -0.587 1.00 0.00 C ATOM 130 O HIS A 10 8.990 -3.690 -1.526 1.00 0.00 O ATOM 131 CB HIS A 10 9.153 -5.594 0.755 1.00 0.00 C ATOM 132 CG HIS A 10 9.650 -6.355 1.953 1.00 0.00 C ATOM 133 ND1 HIS A 10 9.705 -5.797 3.231 1.00 0.00 N ATOM 134 CD2 HIS A 10 10.117 -7.639 2.082 1.00 0.00 C ATOM 135 CE1 HIS A 10 10.194 -6.746 4.054 1.00 0.00 C ATOM 136 NE2 HIS A 10 10.458 -7.880 3.404 1.00 0.00 N ATOM 0 H HIS A 10 10.803 -4.343 2.192 1.00 0.00 H new ATOM 0 HA HIS A 10 10.869 -5.396 -0.531 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.332 -4.938 1.042 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.763 -6.285 0.008 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.205 -8.353 1.276 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.353 -6.605 5.113 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.832 -8.744 3.797 1.00 0.00 H new ATOM 144 N LEU A 11 10.117 -2.381 -0.172 1.00 0.00 N ATOM 145 CA LEU A 11 9.612 -1.154 -0.847 1.00 0.00 C ATOM 146 C LEU A 11 10.288 -1.000 -2.210 1.00 0.00 C ATOM 147 O LEU A 11 9.733 -0.429 -3.127 1.00 0.00 O ATOM 148 CB LEU A 11 9.926 0.056 0.037 1.00 0.00 C ATOM 149 CG LEU A 11 9.102 1.277 -0.405 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.638 2.066 0.827 1.00 0.00 C ATOM 151 CD2 LEU A 11 9.959 2.182 -1.298 1.00 0.00 C ATOM 0 H LEU A 11 10.751 -2.214 0.610 1.00 0.00 H new ATOM 0 HA LEU A 11 8.535 -1.227 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.706 -0.180 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.989 0.288 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 11 8.230 0.936 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.055 2.930 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.022 1.426 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.507 2.404 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.373 3.046 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.834 2.519 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.281 1.625 -2.178 1.00 0.00 H new ATOM 163 N ASP A 12 11.478 -1.510 -2.352 1.00 0.00 N ATOM 164 CA ASP A 12 12.186 -1.398 -3.659 1.00 0.00 C ATOM 165 C ASP A 12 11.771 -2.564 -4.561 1.00 0.00 C ATOM 166 O ASP A 12 11.895 -2.500 -5.769 1.00 0.00 O ATOM 167 CB ASP A 12 13.696 -1.454 -3.424 1.00 0.00 C ATOM 168 CG ASP A 12 14.427 -1.257 -4.753 1.00 0.00 C ATOM 169 OD1 ASP A 12 15.641 -1.381 -4.762 1.00 0.00 O ATOM 170 OD2 ASP A 12 13.761 -0.986 -5.738 1.00 0.00 O ATOM 0 H ASP A 12 11.992 -2.000 -1.620 1.00 0.00 H new ATOM 0 HA ASP A 12 11.925 -0.454 -4.137 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.993 -0.681 -2.715 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.971 -2.413 -2.984 1.00 0.00 H new ATOM 175 N SER A 13 11.286 -3.631 -3.985 1.00 0.00 N ATOM 176 CA SER A 13 10.872 -4.802 -4.810 1.00 0.00 C ATOM 177 C SER A 13 9.470 -4.571 -5.384 1.00 0.00 C ATOM 178 O SER A 13 9.136 -5.069 -6.441 1.00 0.00 O ATOM 179 CB SER A 13 10.862 -6.058 -3.939 1.00 0.00 C ATOM 180 OG SER A 13 10.856 -7.209 -4.772 1.00 0.00 O ATOM 0 H SER A 13 11.159 -3.742 -2.979 1.00 0.00 H new ATOM 0 HA SER A 13 11.578 -4.927 -5.631 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.737 -6.070 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.985 -6.059 -3.292 1.00 0.00 H new ATOM 0 HG SER A 13 10.851 -8.016 -4.215 1.00 0.00 H new ATOM 186 N ILE A 14 8.646 -3.829 -4.697 1.00 0.00 N ATOM 187 CA ILE A 14 7.266 -3.582 -5.211 1.00 0.00 C ATOM 188 C ILE A 14 7.315 -2.613 -6.396 1.00 0.00 C ATOM 189 O ILE A 14 6.307 -2.066 -6.800 1.00 0.00 O ATOM 190 CB ILE A 14 6.397 -2.990 -4.099 1.00 0.00 C ATOM 191 CG1 ILE A 14 7.133 -1.841 -3.398 1.00 0.00 C ATOM 192 CG2 ILE A 14 6.080 -4.080 -3.070 1.00 0.00 C ATOM 193 CD1 ILE A 14 7.278 -0.642 -4.340 1.00 0.00 C ATOM 0 H ILE A 14 8.865 -3.384 -3.806 1.00 0.00 H new ATOM 0 HA ILE A 14 6.836 -4.528 -5.540 1.00 0.00 H new ATOM 0 HB ILE A 14 5.476 -2.607 -4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.586 -1.544 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.118 -2.177 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.461 -3.662 -2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.544 -4.895 -3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.009 -4.459 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.802 0.163 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.845 -0.939 -5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.290 -0.296 -4.643 1.00 0.00 H new ATOM 205 N GLY A 15 8.477 -2.405 -6.961 1.00 0.00 N ATOM 206 CA GLY A 15 8.604 -1.480 -8.132 1.00 0.00 C ATOM 207 C GLY A 15 7.650 -0.289 -7.984 1.00 0.00 C ATOM 208 O GLY A 15 7.456 0.234 -6.906 1.00 0.00 O ATOM 0 H GLY A 15 9.350 -2.838 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.631 -1.123 -8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.382 -2.018 -9.053 1.00 0.00 H new ATOM 212 N GLU A 16 7.058 0.148 -9.067 1.00 0.00 N ATOM 213 CA GLU A 16 6.119 1.308 -8.996 1.00 0.00 C ATOM 214 C GLU A 16 4.918 1.059 -9.916 1.00 0.00 C ATOM 215 O GLU A 16 4.975 1.299 -11.105 1.00 0.00 O ATOM 216 CB GLU A 16 6.852 2.584 -9.436 1.00 0.00 C ATOM 217 CG GLU A 16 5.842 3.721 -9.687 1.00 0.00 C ATOM 218 CD GLU A 16 5.553 3.841 -11.187 1.00 0.00 C ATOM 219 OE1 GLU A 16 4.395 3.997 -11.537 1.00 0.00 O ATOM 220 OE2 GLU A 16 6.495 3.777 -11.959 1.00 0.00 O ATOM 0 H GLU A 16 7.185 -0.249 -9.998 1.00 0.00 H new ATOM 0 HA GLU A 16 5.765 1.426 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.565 2.885 -8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.423 2.389 -10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.917 3.524 -9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.240 4.662 -9.308 1.00 0.00 H new ATOM 227 N VAL A 17 3.828 0.592 -9.370 1.00 0.00 N ATOM 228 CA VAL A 17 2.619 0.343 -10.207 1.00 0.00 C ATOM 229 C VAL A 17 2.119 1.686 -10.751 1.00 0.00 C ATOM 230 O VAL A 17 2.735 2.711 -10.537 1.00 0.00 O ATOM 231 CB VAL A 17 1.540 -0.320 -9.336 1.00 0.00 C ATOM 232 CG1 VAL A 17 1.006 0.696 -8.324 1.00 0.00 C ATOM 233 CG2 VAL A 17 0.383 -0.830 -10.210 1.00 0.00 C ATOM 0 H VAL A 17 3.722 0.372 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 17 2.854 -0.318 -11.042 1.00 0.00 H new ATOM 0 HB VAL A 17 1.983 -1.166 -8.811 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.241 0.226 -7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.823 1.042 -7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.574 1.545 -8.854 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.372 -1.297 -9.578 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.062 0.006 -10.749 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.761 -1.562 -10.924 1.00 0.00 H new ATOM 243 N THR A 18 1.014 1.704 -11.447 1.00 0.00 N ATOM 244 CA THR A 18 0.507 2.997 -11.985 1.00 0.00 C ATOM 245 C THR A 18 0.141 3.909 -10.815 1.00 0.00 C ATOM 246 O THR A 18 -0.550 3.512 -9.900 1.00 0.00 O ATOM 247 CB THR A 18 -0.735 2.738 -12.855 1.00 0.00 C ATOM 248 OG1 THR A 18 -1.089 1.364 -12.769 1.00 0.00 O ATOM 249 CG2 THR A 18 -0.433 3.093 -14.314 1.00 0.00 C ATOM 0 H THR A 18 0.445 0.886 -11.664 1.00 0.00 H new ATOM 0 HA THR A 18 1.274 3.474 -12.595 1.00 0.00 H new ATOM 0 HB THR A 18 -1.559 3.356 -12.499 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.881 1.195 -13.321 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.317 2.907 -14.924 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.159 4.146 -14.383 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.392 2.479 -14.674 1.00 0.00 H new ATOM 257 N LYS A 19 0.584 5.133 -10.843 1.00 0.00 N ATOM 258 CA LYS A 19 0.242 6.065 -9.735 1.00 0.00 C ATOM 259 C LYS A 19 -1.275 6.143 -9.678 1.00 0.00 C ATOM 260 O LYS A 19 -1.889 5.868 -8.667 1.00 0.00 O ATOM 261 CB LYS A 19 0.843 7.457 -10.002 1.00 0.00 C ATOM 262 CG LYS A 19 1.737 7.411 -11.251 1.00 0.00 C ATOM 263 CD LYS A 19 2.830 8.485 -11.152 1.00 0.00 C ATOM 264 CE LYS A 19 4.075 7.892 -10.485 1.00 0.00 C ATOM 265 NZ LYS A 19 4.968 8.996 -10.031 1.00 0.00 N ATOM 0 H LYS A 19 1.166 5.528 -11.582 1.00 0.00 H new ATOM 0 HA LYS A 19 0.648 5.711 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.045 8.186 -10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.425 7.783 -9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.192 6.425 -11.347 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.136 7.573 -12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.080 8.857 -12.146 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.467 9.336 -10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.786 7.272 -9.637 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.604 7.247 -11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.814 8.594 -9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.254 9.570 -10.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.461 9.594 -9.348 1.00 0.00 H new ATOM 279 N GLU A 20 -1.884 6.477 -10.779 1.00 0.00 N ATOM 280 CA GLU A 20 -3.361 6.530 -10.827 1.00 0.00 C ATOM 281 C GLU A 20 -3.891 5.270 -10.154 1.00 0.00 C ATOM 282 O GLU A 20 -4.909 5.282 -9.501 1.00 0.00 O ATOM 283 CB GLU A 20 -3.820 6.590 -12.279 1.00 0.00 C ATOM 284 CG GLU A 20 -5.307 6.236 -12.382 1.00 0.00 C ATOM 285 CD GLU A 20 -5.701 6.110 -13.854 1.00 0.00 C ATOM 286 OE1 GLU A 20 -5.354 5.107 -14.457 1.00 0.00 O ATOM 287 OE2 GLU A 20 -6.342 7.019 -14.355 1.00 0.00 O ATOM 0 H GLU A 20 -1.414 6.717 -11.652 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.737 7.415 -10.313 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.648 7.589 -12.681 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.232 5.898 -12.882 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.506 5.300 -11.860 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.909 7.005 -11.898 1.00 0.00 H new ATOM 294 N ASP A 21 -3.189 4.179 -10.288 1.00 0.00 N ATOM 295 CA ASP A 21 -3.656 2.931 -9.627 1.00 0.00 C ATOM 296 C ASP A 21 -3.844 3.239 -8.146 1.00 0.00 C ATOM 297 O ASP A 21 -4.794 2.812 -7.524 1.00 0.00 O ATOM 298 CB ASP A 21 -2.617 1.817 -9.810 1.00 0.00 C ATOM 299 CG ASP A 21 -3.306 0.453 -9.720 1.00 0.00 C ATOM 300 OD1 ASP A 21 -4.127 0.283 -8.834 1.00 0.00 O ATOM 301 OD2 ASP A 21 -3.000 -0.399 -10.538 1.00 0.00 O ATOM 0 H ASP A 21 -2.323 4.098 -10.820 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.593 2.591 -10.068 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.122 1.923 -10.775 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.845 1.897 -9.045 1.00 0.00 H new ATOM 306 N LEU A 22 -2.958 4.015 -7.588 1.00 0.00 N ATOM 307 CA LEU A 22 -3.095 4.389 -6.155 1.00 0.00 C ATOM 308 C LEU A 22 -4.231 5.394 -6.039 1.00 0.00 C ATOM 309 O LEU A 22 -4.824 5.576 -4.994 1.00 0.00 O ATOM 310 CB LEU A 22 -1.800 5.036 -5.653 1.00 0.00 C ATOM 311 CG LEU A 22 -0.722 3.969 -5.453 1.00 0.00 C ATOM 312 CD1 LEU A 22 -0.533 3.178 -6.748 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.596 4.653 -5.075 1.00 0.00 C ATOM 0 H LEU A 22 -2.145 4.406 -8.063 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.299 3.501 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.456 5.782 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.985 5.557 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.026 3.288 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.236 2.419 -6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.472 2.696 -7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.228 3.854 -7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.369 3.898 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.896 5.332 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.462 5.216 -4.151 1.00 0.00 H new ATOM 325 N LEU A 23 -4.531 6.045 -7.120 1.00 0.00 N ATOM 326 CA LEU A 23 -5.621 7.047 -7.121 1.00 0.00 C ATOM 327 C LEU A 23 -6.963 6.319 -7.216 1.00 0.00 C ATOM 328 O LEU A 23 -7.801 6.451 -6.346 1.00 0.00 O ATOM 329 CB LEU A 23 -5.403 7.980 -8.316 1.00 0.00 C ATOM 330 CG LEU A 23 -3.976 8.561 -8.250 1.00 0.00 C ATOM 331 CD1 LEU A 23 -3.825 9.679 -9.293 1.00 0.00 C ATOM 332 CD2 LEU A 23 -3.708 9.137 -6.854 1.00 0.00 C ATOM 0 H LEU A 23 -4.060 5.923 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.622 7.638 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.544 7.435 -9.249 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.138 8.785 -8.303 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.261 7.765 -8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.816 10.088 -9.244 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.005 9.274 -10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.547 10.469 -9.087 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.698 9.545 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.427 9.928 -6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.808 8.347 -6.109 1.00 0.00 H new ATOM 344 N LEU A 24 -7.180 5.524 -8.232 1.00 0.00 N ATOM 345 CA LEU A 24 -8.470 4.792 -8.292 1.00 0.00 C ATOM 346 C LEU A 24 -8.576 3.948 -7.038 1.00 0.00 C ATOM 347 O LEU A 24 -9.604 3.903 -6.412 1.00 0.00 O ATOM 348 CB LEU A 24 -8.562 3.898 -9.534 1.00 0.00 C ATOM 349 CG LEU A 24 -7.508 2.779 -9.493 1.00 0.00 C ATOM 350 CD1 LEU A 24 -8.124 1.495 -8.920 1.00 0.00 C ATOM 351 CD2 LEU A 24 -7.023 2.494 -10.919 1.00 0.00 C ATOM 0 H LEU A 24 -6.534 5.355 -9.003 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.289 5.509 -8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.558 3.461 -9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.421 4.501 -10.431 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.677 3.097 -8.863 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.369 0.709 -8.895 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.484 1.684 -7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.957 1.179 -9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.275 1.701 -10.897 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.866 2.181 -11.534 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.582 3.397 -11.341 1.00 0.00 H new ATOM 363 N LYS A 25 -7.512 3.299 -6.638 1.00 0.00 N ATOM 364 CA LYS A 25 -7.582 2.490 -5.393 1.00 0.00 C ATOM 365 C LYS A 25 -8.209 3.374 -4.314 1.00 0.00 C ATOM 366 O LYS A 25 -9.047 2.950 -3.543 1.00 0.00 O ATOM 367 CB LYS A 25 -6.169 2.066 -4.983 1.00 0.00 C ATOM 368 CG LYS A 25 -5.745 0.837 -5.796 1.00 0.00 C ATOM 369 CD LYS A 25 -4.241 0.603 -5.626 1.00 0.00 C ATOM 370 CE LYS A 25 -3.904 -0.850 -5.969 1.00 0.00 C ATOM 371 NZ LYS A 25 -2.428 -0.999 -6.112 1.00 0.00 N ATOM 0 H LYS A 25 -6.611 3.296 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.179 1.589 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.469 2.885 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.142 1.837 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.300 -0.041 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.984 0.985 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.682 1.279 -6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.942 0.824 -4.601 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.273 -1.514 -5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.401 -1.141 -6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.215 -1.516 -6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.986 -0.058 -6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.052 -1.527 -5.299 1.00 0.00 H new ATOM 385 N SER A 26 -7.819 4.619 -4.288 1.00 0.00 N ATOM 386 CA SER A 26 -8.384 5.581 -3.306 1.00 0.00 C ATOM 387 C SER A 26 -9.808 5.951 -3.739 1.00 0.00 C ATOM 388 O SER A 26 -10.388 6.898 -3.248 1.00 0.00 O ATOM 389 CB SER A 26 -7.518 6.846 -3.296 1.00 0.00 C ATOM 390 OG SER A 26 -7.729 7.555 -2.082 1.00 0.00 O ATOM 0 H SER A 26 -7.121 5.014 -4.918 1.00 0.00 H new ATOM 0 HA SER A 26 -8.402 5.136 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.466 6.580 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.769 7.478 -4.147 1.00 0.00 H new ATOM 0 HG SER A 26 -8.691 7.656 -1.925 1.00 0.00 H new ATOM 396 N LYS A 27 -10.361 5.236 -4.688 1.00 0.00 N ATOM 397 CA LYS A 27 -11.727 5.583 -5.177 1.00 0.00 C ATOM 398 C LYS A 27 -12.670 5.807 -3.994 1.00 0.00 C ATOM 399 O LYS A 27 -13.356 6.809 -3.936 1.00 0.00 O ATOM 400 CB LYS A 27 -12.281 4.476 -6.091 1.00 0.00 C ATOM 401 CG LYS A 27 -11.860 3.083 -5.594 1.00 0.00 C ATOM 402 CD LYS A 27 -13.010 2.094 -5.797 1.00 0.00 C ATOM 403 CE LYS A 27 -13.267 1.927 -7.296 1.00 0.00 C ATOM 404 NZ LYS A 27 -14.372 0.951 -7.509 1.00 0.00 N ATOM 0 H LYS A 27 -9.927 4.432 -5.141 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.657 6.503 -5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.369 4.539 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.920 4.626 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.977 2.745 -6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.589 3.129 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.762 1.132 -5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.910 2.456 -5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.527 2.888 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.361 1.580 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.545 0.839 -8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.107 0.032 -7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.237 1.299 -7.048 1.00 0.00 H new ATOM 418 N GLY A 28 -12.716 4.912 -3.039 1.00 0.00 N ATOM 419 CA GLY A 28 -13.620 5.140 -1.880 1.00 0.00 C ATOM 420 C GLY A 28 -14.229 3.830 -1.404 1.00 0.00 C ATOM 421 O GLY A 28 -15.128 3.828 -0.593 1.00 0.00 O ATOM 0 H GLY A 28 -12.175 4.048 -3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.064 5.605 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.412 5.833 -2.162 1.00 0.00 H new ATOM 425 N THR A 29 -13.776 2.715 -1.899 1.00 0.00 N ATOM 426 CA THR A 29 -14.375 1.436 -1.438 1.00 0.00 C ATOM 427 C THR A 29 -13.437 0.252 -1.719 1.00 0.00 C ATOM 428 O THR A 29 -12.725 0.224 -2.704 1.00 0.00 O ATOM 429 CB THR A 29 -15.699 1.230 -2.174 1.00 0.00 C ATOM 430 OG1 THR A 29 -15.821 2.203 -3.202 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.876 1.366 -1.202 1.00 0.00 C ATOM 0 H THR A 29 -13.031 2.633 -2.590 1.00 0.00 H new ATOM 0 HA THR A 29 -14.538 1.485 -0.361 1.00 0.00 H new ATOM 0 HB THR A 29 -15.712 0.229 -2.606 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.668 2.073 -3.677 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.812 1.217 -1.741 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.787 0.617 -0.415 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.868 2.361 -0.758 1.00 0.00 H new ATOM 439 N CYS A 30 -13.475 -0.743 -0.874 1.00 0.00 N ATOM 440 CA CYS A 30 -12.636 -1.963 -1.091 1.00 0.00 C ATOM 441 C CYS A 30 -13.074 -2.597 -2.410 1.00 0.00 C ATOM 442 O CYS A 30 -14.251 -2.655 -2.711 1.00 0.00 O ATOM 443 CB CYS A 30 -12.869 -2.962 0.053 1.00 0.00 C ATOM 444 SG CYS A 30 -11.868 -4.454 -0.220 1.00 0.00 S ATOM 0 H CYS A 30 -14.055 -0.765 -0.035 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.579 -1.699 -1.119 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.605 -2.505 1.007 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.925 -3.226 0.108 1.00 0.00 H new ATOM 449 N GLN A 31 -12.160 -3.065 -3.212 1.00 0.00 N ATOM 450 CA GLN A 31 -12.578 -3.673 -4.505 1.00 0.00 C ATOM 451 C GLN A 31 -13.101 -5.090 -4.269 1.00 0.00 C ATOM 452 O GLN A 31 -13.687 -5.695 -5.145 1.00 0.00 O ATOM 453 CB GLN A 31 -11.399 -3.713 -5.480 1.00 0.00 C ATOM 454 CG GLN A 31 -10.219 -4.473 -4.866 1.00 0.00 C ATOM 455 CD GLN A 31 -10.432 -5.981 -5.023 1.00 0.00 C ATOM 456 OE1 GLN A 31 -9.594 -6.808 -4.459 1.00 0.00 O flip ATOM 457 NE2 GLN A 31 -11.366 -6.412 -5.670 1.00 0.00 N flip ATOM 0 H GLN A 31 -11.156 -3.054 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.372 -3.063 -4.937 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.704 -4.194 -6.409 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.093 -2.697 -5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.290 -4.175 -5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.121 -4.219 -3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.022 -5.767 -6.111 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.494 -7.419 -5.772 1.00 0.00 H new ATOM 466 N SER A 32 -12.902 -5.624 -3.094 1.00 0.00 N ATOM 467 CA SER A 32 -13.396 -7.002 -2.802 1.00 0.00 C ATOM 468 C SER A 32 -14.501 -6.942 -1.744 1.00 0.00 C ATOM 469 O SER A 32 -15.229 -7.893 -1.545 1.00 0.00 O ATOM 470 CB SER A 32 -12.240 -7.857 -2.285 1.00 0.00 C ATOM 471 OG SER A 32 -11.303 -8.061 -3.334 1.00 0.00 O ATOM 0 H SER A 32 -12.418 -5.165 -2.322 1.00 0.00 H new ATOM 0 HA SER A 32 -13.796 -7.443 -3.715 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.757 -7.365 -1.441 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.614 -8.815 -1.924 1.00 0.00 H new ATOM 0 HG SER A 32 -10.538 -7.460 -3.211 1.00 0.00 H new ATOM 477 N CYS A 33 -14.630 -5.832 -1.060 1.00 0.00 N ATOM 478 CA CYS A 33 -15.691 -5.715 -0.011 1.00 0.00 C ATOM 479 C CYS A 33 -16.546 -4.473 -0.266 1.00 0.00 C ATOM 480 O CYS A 33 -17.660 -4.375 0.208 1.00 0.00 O ATOM 481 CB CYS A 33 -15.039 -5.602 1.371 1.00 0.00 C ATOM 482 SG CYS A 33 -13.906 -6.984 1.618 1.00 0.00 S ATOM 0 H CYS A 33 -14.048 -5.003 -1.182 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.323 -6.602 -0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.501 -4.658 1.455 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -15.805 -5.603 2.147 1.00 0.00 H new ATOM 487 N GLY A 34 -16.040 -3.513 -0.994 1.00 0.00 N ATOM 488 CA GLY A 34 -16.848 -2.286 -1.243 1.00 0.00 C ATOM 489 C GLY A 34 -17.325 -1.741 0.103 1.00 0.00 C ATOM 490 O GLY A 34 -18.498 -1.773 0.420 1.00 0.00 O ATOM 0 H GLY A 34 -15.114 -3.525 -1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.251 -1.538 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.700 -2.516 -1.882 1.00 0.00 H new ATOM 494 N VAL A 35 -16.410 -1.282 0.913 1.00 0.00 N ATOM 495 CA VAL A 35 -16.781 -0.775 2.268 1.00 0.00 C ATOM 496 C VAL A 35 -16.758 0.759 2.334 1.00 0.00 C ATOM 497 O VAL A 35 -17.690 1.363 2.823 1.00 0.00 O ATOM 498 CB VAL A 35 -15.790 -1.346 3.285 1.00 0.00 C ATOM 499 CG1 VAL A 35 -15.768 -2.878 3.164 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.392 -0.786 3.004 1.00 0.00 C ATOM 0 H VAL A 35 -15.415 -1.236 0.694 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.799 -1.095 2.491 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.094 -1.065 4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.063 -3.290 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.764 -3.273 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.461 -3.159 2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.685 -1.192 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.083 -1.068 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.412 0.301 3.087 1.00 0.00 H new ATOM 510 N THR A 36 -15.711 1.402 1.873 1.00 0.00 N ATOM 511 CA THR A 36 -15.668 2.895 1.956 1.00 0.00 C ATOM 512 C THR A 36 -14.248 3.376 1.651 1.00 0.00 C ATOM 513 O THR A 36 -13.380 2.596 1.323 1.00 0.00 O ATOM 514 CB THR A 36 -16.070 3.359 3.371 1.00 0.00 C ATOM 515 OG1 THR A 36 -16.135 2.239 4.243 1.00 0.00 O ATOM 516 CG2 THR A 36 -17.432 4.063 3.336 1.00 0.00 C ATOM 0 H THR A 36 -14.894 0.963 1.448 1.00 0.00 H new ATOM 0 HA THR A 36 -16.367 3.314 1.231 1.00 0.00 H new ATOM 0 HB THR A 36 -15.320 4.061 3.735 1.00 0.00 H new ATOM 0 HG1 THR A 36 -17.057 1.909 4.283 1.00 0.00 H new ATOM 0 HG21 THR A 36 -17.701 4.384 4.342 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.376 4.932 2.680 1.00 0.00 H new ATOM 0 HG23 THR A 36 -18.188 3.374 2.961 1.00 0.00 H new ATOM 524 N GLY A 37 -14.014 4.659 1.743 1.00 0.00 N ATOM 525 CA GLY A 37 -12.657 5.204 1.442 1.00 0.00 C ATOM 526 C GLY A 37 -11.838 5.355 2.721 1.00 0.00 C ATOM 527 O GLY A 37 -10.760 4.811 2.844 1.00 0.00 O ATOM 0 H GLY A 37 -14.708 5.356 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.139 4.541 0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.750 6.171 0.948 1.00 0.00 H new ATOM 531 N PRO A 38 -12.330 6.106 3.661 1.00 0.00 N ATOM 532 CA PRO A 38 -11.609 6.331 4.934 1.00 0.00 C ATOM 533 C PRO A 38 -11.174 5.014 5.579 1.00 0.00 C ATOM 534 O PRO A 38 -11.925 4.062 5.651 1.00 0.00 O ATOM 535 CB PRO A 38 -12.612 7.058 5.827 1.00 0.00 C ATOM 536 CG PRO A 38 -13.636 7.645 4.903 1.00 0.00 C ATOM 537 CD PRO A 38 -13.615 6.818 3.614 1.00 0.00 C ATOM 0 HA PRO A 38 -10.694 6.903 4.778 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.074 6.370 6.536 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.122 7.836 6.412 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.625 7.619 5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.409 8.690 4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -14.454 6.123 3.573 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.685 7.454 2.732 1.00 0.00 H new ATOM 545 N ASN A 39 -9.960 4.966 6.034 1.00 0.00 N ATOM 546 CA ASN A 39 -9.423 3.733 6.677 1.00 0.00 C ATOM 547 C ASN A 39 -9.336 2.606 5.645 1.00 0.00 C ATOM 548 O ASN A 39 -9.539 1.449 5.955 1.00 0.00 O ATOM 549 CB ASN A 39 -10.320 3.310 7.857 1.00 0.00 C ATOM 550 CG ASN A 39 -9.711 3.806 9.171 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.125 3.041 9.910 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.826 5.065 9.496 1.00 0.00 N ATOM 0 H ASN A 39 -9.300 5.743 5.989 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.424 3.940 7.061 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.321 3.721 7.731 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.422 2.225 7.879 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.424 5.405 10.370 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.318 5.709 8.876 1.00 0.00 H new ATOM 559 N LEU A 40 -9.014 2.928 4.422 1.00 0.00 N ATOM 560 CA LEU A 40 -8.891 1.863 3.386 1.00 0.00 C ATOM 561 C LEU A 40 -7.454 1.338 3.402 1.00 0.00 C ATOM 562 O LEU A 40 -6.610 1.822 4.128 1.00 0.00 O ATOM 563 CB LEU A 40 -9.187 2.438 1.987 1.00 0.00 C ATOM 564 CG LEU A 40 -10.653 2.227 1.567 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.772 2.534 0.072 1.00 0.00 C ATOM 566 CD2 LEU A 40 -11.088 0.771 1.802 1.00 0.00 C ATOM 0 H LEU A 40 -8.832 3.877 4.096 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.603 1.066 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.959 3.504 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.530 1.966 1.256 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.290 2.883 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.804 2.391 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.475 3.566 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.122 1.864 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.127 0.648 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.457 0.103 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.989 0.528 2.860 1.00 0.00 H new ATOM 578 N TRP A 41 -7.169 0.363 2.591 1.00 0.00 N ATOM 579 CA TRP A 41 -5.784 -0.185 2.535 1.00 0.00 C ATOM 580 C TRP A 41 -5.619 -0.975 1.237 1.00 0.00 C ATOM 581 O TRP A 41 -6.015 -2.120 1.134 1.00 0.00 O ATOM 582 CB TRP A 41 -5.526 -1.086 3.752 1.00 0.00 C ATOM 583 CG TRP A 41 -4.343 -0.568 4.514 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.118 -0.347 3.985 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.252 -0.197 5.922 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.282 0.134 4.976 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.934 0.244 6.187 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.174 -0.200 6.983 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.546 0.667 7.461 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.788 0.224 8.265 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.477 0.656 8.503 1.00 0.00 C ATOM 0 H TRP A 41 -7.836 -0.082 1.961 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.060 0.630 2.556 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.406 -1.108 4.395 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.343 -2.110 3.428 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.838 -0.518 2.956 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.302 0.378 4.830 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.188 -0.531 6.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.534 1.000 7.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.506 0.217 9.072 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.186 0.980 9.491 1.00 0.00 H new ATOM 602 N ALA A 42 -5.057 -0.359 0.233 1.00 0.00 N ATOM 603 CA ALA A 42 -4.888 -1.058 -1.067 1.00 0.00 C ATOM 604 C ALA A 42 -3.502 -1.691 -1.168 1.00 0.00 C ATOM 605 O ALA A 42 -2.515 -1.137 -0.728 1.00 0.00 O ATOM 606 CB ALA A 42 -5.060 -0.048 -2.200 1.00 0.00 C ATOM 0 H ALA A 42 -4.708 0.599 0.259 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.637 -1.846 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.938 -0.552 -3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.055 0.393 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.310 0.737 -2.105 1.00 0.00 H new ATOM 612 N CYS A 43 -3.427 -2.844 -1.771 1.00 0.00 N ATOM 613 CA CYS A 43 -2.114 -3.520 -1.936 1.00 0.00 C ATOM 614 C CYS A 43 -1.211 -2.626 -2.781 1.00 0.00 C ATOM 615 O CYS A 43 -1.684 -1.840 -3.577 1.00 0.00 O ATOM 616 CB CYS A 43 -2.316 -4.855 -2.645 1.00 0.00 C ATOM 617 SG CYS A 43 -0.818 -5.852 -2.481 1.00 0.00 S ATOM 0 H CYS A 43 -4.224 -3.349 -2.158 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.659 -3.698 -0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.167 -5.383 -2.215 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.543 -4.690 -3.698 1.00 0.00 H new ATOM 622 N LEU A 44 0.079 -2.718 -2.610 1.00 0.00 N ATOM 623 CA LEU A 44 0.987 -1.842 -3.403 1.00 0.00 C ATOM 624 C LEU A 44 2.159 -2.642 -3.988 1.00 0.00 C ATOM 625 O LEU A 44 3.286 -2.191 -3.968 1.00 0.00 O ATOM 626 CB LEU A 44 1.525 -0.736 -2.494 1.00 0.00 C ATOM 627 CG LEU A 44 2.172 0.366 -3.349 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.099 1.357 -3.819 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.226 1.109 -2.521 1.00 0.00 C ATOM 0 H LEU A 44 0.541 -3.356 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 44 0.424 -1.413 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.716 -0.318 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.257 -1.147 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 44 2.647 -0.089 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.563 2.136 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.353 0.830 -4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.617 1.810 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.683 1.889 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.752 1.560 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.994 0.407 -2.195 1.00 0.00 H new ATOM 641 N GLN A 45 1.919 -3.814 -4.523 1.00 0.00 N ATOM 642 CA GLN A 45 3.051 -4.590 -5.116 1.00 0.00 C ATOM 643 C GLN A 45 3.124 -4.297 -6.620 1.00 0.00 C ATOM 644 O GLN A 45 2.116 -4.182 -7.289 1.00 0.00 O ATOM 645 CB GLN A 45 2.856 -6.095 -4.889 1.00 0.00 C ATOM 646 CG GLN A 45 2.175 -6.350 -3.536 1.00 0.00 C ATOM 647 CD GLN A 45 3.207 -6.878 -2.534 1.00 0.00 C ATOM 648 OE1 GLN A 45 3.977 -7.876 -2.874 1.00 0.00 O flip ATOM 649 NE2 GLN A 45 3.315 -6.374 -1.434 1.00 0.00 N flip ATOM 0 H GLN A 45 1.004 -4.261 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 45 3.980 -4.289 -4.632 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.251 -6.515 -5.692 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.821 -6.601 -4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.729 -5.428 -3.162 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.366 -7.071 -3.654 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.713 -5.594 -1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.008 -6.730 -0.775 1.00 0.00 H new ATOM 658 N VAL A 46 4.310 -4.158 -7.148 1.00 0.00 N ATOM 659 CA VAL A 46 4.463 -3.852 -8.606 1.00 0.00 C ATOM 660 C VAL A 46 3.514 -4.705 -9.457 1.00 0.00 C ATOM 661 O VAL A 46 3.341 -4.446 -10.631 1.00 0.00 O ATOM 662 CB VAL A 46 5.905 -4.135 -9.043 1.00 0.00 C ATOM 663 CG1 VAL A 46 6.328 -5.524 -8.558 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.000 -4.081 -10.572 1.00 0.00 C ATOM 0 H VAL A 46 5.186 -4.243 -6.632 1.00 0.00 H new ATOM 0 HA VAL A 46 4.219 -2.800 -8.755 1.00 0.00 H new ATOM 0 HB VAL A 46 6.564 -3.383 -8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.353 -5.722 -8.870 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.266 -5.564 -7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.666 -6.276 -8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.026 -4.282 -10.880 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.337 -4.831 -11.004 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.704 -3.091 -10.920 1.00 0.00 H new ATOM 674 N ALA A 47 2.910 -5.724 -8.903 1.00 0.00 N ATOM 675 CA ALA A 47 2.001 -6.574 -9.732 1.00 0.00 C ATOM 676 C ALA A 47 0.735 -6.940 -8.954 1.00 0.00 C ATOM 677 O ALA A 47 0.288 -8.069 -8.989 1.00 0.00 O ATOM 678 CB ALA A 47 2.735 -7.856 -10.130 1.00 0.00 C ATOM 0 H ALA A 47 3.004 -6.003 -7.926 1.00 0.00 H new ATOM 0 HA ALA A 47 1.713 -6.011 -10.620 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.076 -8.480 -10.735 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.625 -7.602 -10.706 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.028 -8.401 -9.233 1.00 0.00 H new ATOM 684 N CYS A 48 0.144 -6.006 -8.260 1.00 0.00 N ATOM 685 CA CYS A 48 -1.098 -6.333 -7.502 1.00 0.00 C ATOM 686 C CYS A 48 -2.020 -5.113 -7.439 1.00 0.00 C ATOM 687 O CYS A 48 -2.053 -4.404 -6.454 1.00 0.00 O ATOM 688 CB CYS A 48 -0.727 -6.757 -6.084 1.00 0.00 C ATOM 689 SG CYS A 48 -2.084 -7.721 -5.380 1.00 0.00 S ATOM 0 H CYS A 48 0.463 -5.040 -8.185 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.619 -7.145 -8.010 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.188 -7.349 -6.096 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.531 -5.879 -5.468 1.00 0.00 H new ATOM 694 N PRO A 49 -2.778 -4.878 -8.477 1.00 0.00 N ATOM 695 CA PRO A 49 -3.728 -3.738 -8.530 1.00 0.00 C ATOM 696 C PRO A 49 -5.093 -4.103 -7.932 1.00 0.00 C ATOM 697 O PRO A 49 -5.911 -4.731 -8.572 1.00 0.00 O ATOM 698 CB PRO A 49 -3.851 -3.475 -10.030 1.00 0.00 C ATOM 699 CG PRO A 49 -3.661 -4.813 -10.678 1.00 0.00 C ATOM 700 CD PRO A 49 -2.811 -5.664 -9.719 1.00 0.00 C ATOM 0 HA PRO A 49 -3.387 -2.877 -7.955 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.825 -3.052 -10.277 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.099 -2.763 -10.368 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.623 -5.290 -10.866 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.164 -4.707 -11.642 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.255 -6.646 -9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.808 -5.828 -10.114 1.00 0.00 H new ATOM 708 N TYR A 50 -5.338 -3.702 -6.713 1.00 0.00 N ATOM 709 CA TYR A 50 -6.640 -4.006 -6.051 1.00 0.00 C ATOM 710 C TYR A 50 -6.676 -3.254 -4.719 1.00 0.00 C ATOM 711 O TYR A 50 -5.709 -3.249 -3.984 1.00 0.00 O ATOM 712 CB TYR A 50 -6.753 -5.512 -5.779 1.00 0.00 C ATOM 713 CG TYR A 50 -7.054 -6.250 -7.064 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.123 -7.159 -7.583 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.261 -6.026 -7.737 1.00 0.00 C ATOM 716 CE1 TYR A 50 -6.399 -7.843 -8.772 1.00 0.00 C ATOM 717 CE2 TYR A 50 -8.537 -6.711 -8.927 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.606 -7.618 -9.446 1.00 0.00 C ATOM 719 OH TYR A 50 -7.878 -8.292 -10.619 1.00 0.00 O ATOM 0 H TYR A 50 -4.683 -3.170 -6.141 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.466 -3.701 -6.694 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.823 -5.882 -5.347 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.541 -5.700 -5.049 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.191 -7.332 -7.065 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -8.979 -5.325 -7.338 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.681 -8.545 -9.170 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.469 -6.539 -9.445 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.757 -8.020 -10.956 1.00 0.00 H new ATOM 729 N VAL A 51 -7.767 -2.610 -4.398 1.00 0.00 N ATOM 730 CA VAL A 51 -7.822 -1.858 -3.109 1.00 0.00 C ATOM 731 C VAL A 51 -8.603 -2.658 -2.067 1.00 0.00 C ATOM 732 O VAL A 51 -9.806 -2.804 -2.144 1.00 0.00 O ATOM 733 CB VAL A 51 -8.468 -0.490 -3.335 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.641 -0.627 -4.304 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.957 0.091 -2.003 1.00 0.00 C ATOM 0 H VAL A 51 -8.614 -2.572 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.809 -1.708 -2.737 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.726 0.185 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.098 0.350 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.283 -1.018 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.380 -1.310 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.415 1.065 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.692 -0.582 -1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.112 0.203 -1.323 1.00 0.00 H new ATOM 745 N GLY A 52 -7.913 -3.176 -1.088 1.00 0.00 N ATOM 746 CA GLY A 52 -8.580 -3.974 -0.026 1.00 0.00 C ATOM 747 C GLY A 52 -9.132 -3.048 1.059 1.00 0.00 C ATOM 748 O GLY A 52 -9.126 -1.840 0.924 1.00 0.00 O ATOM 0 H GLY A 52 -6.904 -3.078 -0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.389 -4.564 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.871 -4.677 0.411 1.00 0.00 H new ATOM 752 N CYS A 53 -9.615 -3.610 2.135 1.00 0.00 N ATOM 753 CA CYS A 53 -10.177 -2.779 3.233 1.00 0.00 C ATOM 754 C CYS A 53 -9.143 -2.592 4.318 1.00 0.00 C ATOM 755 O CYS A 53 -8.111 -3.232 4.358 1.00 0.00 O ATOM 756 CB CYS A 53 -11.348 -3.499 3.924 1.00 0.00 C ATOM 757 SG CYS A 53 -11.293 -5.268 3.553 1.00 0.00 S ATOM 0 H CYS A 53 -9.643 -4.616 2.299 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.492 -1.836 2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.296 -3.343 5.002 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.295 -3.078 3.586 1.00 0.00 H new ATOM 762 N GLY A 54 -9.492 -1.768 5.244 1.00 0.00 N ATOM 763 CA GLY A 54 -8.655 -1.542 6.434 1.00 0.00 C ATOM 764 C GLY A 54 -9.544 -1.974 7.584 1.00 0.00 C ATOM 765 O GLY A 54 -10.743 -2.045 7.416 1.00 0.00 O ATOM 0 H GLY A 54 -10.353 -1.222 5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.737 -2.128 6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.362 -0.496 6.525 1.00 0.00 H new ATOM 769 N GLU A 55 -9.011 -2.294 8.723 1.00 0.00 N ATOM 770 CA GLU A 55 -9.895 -2.743 9.846 1.00 0.00 C ATOM 771 C GLU A 55 -11.296 -2.185 9.646 1.00 0.00 C ATOM 772 O GLU A 55 -12.284 -2.841 9.912 1.00 0.00 O ATOM 773 CB GLU A 55 -9.346 -2.228 11.166 1.00 0.00 C ATOM 774 CG GLU A 55 -9.531 -0.709 11.251 1.00 0.00 C ATOM 775 CD GLU A 55 -8.656 -0.146 12.373 1.00 0.00 C ATOM 776 OE1 GLU A 55 -7.776 -0.859 12.828 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.881 0.989 12.759 1.00 0.00 O ATOM 0 H GLU A 55 -8.013 -2.268 8.933 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.928 -3.832 9.859 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.859 -2.713 11.997 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.289 -2.480 11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.263 -0.246 10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.578 -0.470 11.438 1.00 0.00 H new ATOM 784 N SER A 56 -11.374 -0.985 9.150 1.00 0.00 N ATOM 785 CA SER A 56 -12.696 -0.359 8.878 1.00 0.00 C ATOM 786 C SER A 56 -13.706 -1.458 8.550 1.00 0.00 C ATOM 787 O SER A 56 -14.837 -1.432 8.993 1.00 0.00 O ATOM 788 CB SER A 56 -12.558 0.577 7.676 1.00 0.00 C ATOM 789 OG SER A 56 -12.670 1.924 8.115 1.00 0.00 O ATOM 0 H SER A 56 -10.569 -0.403 8.918 1.00 0.00 H new ATOM 0 HA SER A 56 -13.034 0.203 9.748 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.596 0.420 7.187 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.330 0.357 6.939 1.00 0.00 H new ATOM 0 HG SER A 56 -12.977 2.485 7.373 1.00 0.00 H new ATOM 795 N PHE A 57 -13.292 -2.431 7.777 1.00 0.00 N ATOM 796 CA PHE A 57 -14.214 -3.549 7.419 1.00 0.00 C ATOM 797 C PHE A 57 -13.624 -4.869 7.893 1.00 0.00 C ATOM 798 O PHE A 57 -13.816 -5.289 9.018 1.00 0.00 O ATOM 799 CB PHE A 57 -14.388 -3.611 5.906 1.00 0.00 C ATOM 800 CG PHE A 57 -15.272 -4.785 5.551 1.00 0.00 C ATOM 801 CD1 PHE A 57 -16.605 -4.810 5.981 1.00 0.00 C ATOM 802 CD2 PHE A 57 -14.761 -5.848 4.795 1.00 0.00 C ATOM 803 CE1 PHE A 57 -17.426 -5.896 5.654 1.00 0.00 C ATOM 804 CE2 PHE A 57 -15.583 -6.933 4.469 1.00 0.00 C ATOM 805 CZ PHE A 57 -16.916 -6.958 4.898 1.00 0.00 C ATOM 0 H PHE A 57 -12.355 -2.498 7.379 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.179 -3.377 7.897 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.831 -2.684 5.541 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.417 -3.713 5.421 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -16.999 -3.991 6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.733 -5.830 4.464 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -18.454 -5.914 5.985 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.189 -7.752 3.886 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.550 -7.796 4.646 1.00 0.00 H new ATOM 815 N ALA A 58 -12.900 -5.517 7.031 1.00 0.00 N ATOM 816 CA ALA A 58 -12.265 -6.819 7.389 1.00 0.00 C ATOM 817 C ALA A 58 -10.755 -6.670 7.242 1.00 0.00 C ATOM 818 O ALA A 58 -9.993 -7.579 7.505 1.00 0.00 O ATOM 819 CB ALA A 58 -12.769 -7.911 6.441 1.00 0.00 C ATOM 0 H ALA A 58 -12.716 -5.199 6.079 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.518 -7.095 8.413 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.305 -8.862 6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.852 -7.999 6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.509 -7.650 5.415 1.00 0.00 H new ATOM 825 N ASP A 59 -10.327 -5.516 6.819 1.00 0.00 N ATOM 826 CA ASP A 59 -8.874 -5.265 6.643 1.00 0.00 C ATOM 827 C ASP A 59 -8.256 -6.330 5.741 1.00 0.00 C ATOM 828 O ASP A 59 -7.393 -7.076 6.161 1.00 0.00 O ATOM 829 CB ASP A 59 -8.171 -5.279 8.003 1.00 0.00 C ATOM 830 CG ASP A 59 -6.667 -5.096 7.803 1.00 0.00 C ATOM 831 OD1 ASP A 59 -6.265 -3.994 7.470 1.00 0.00 O ATOM 832 OD2 ASP A 59 -5.943 -6.057 7.988 1.00 0.00 O ATOM 0 H ASP A 59 -10.930 -4.727 6.585 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.746 -4.287 6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.564 -4.483 8.635 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.368 -6.220 8.516 1.00 0.00 H new ATOM 837 N HIS A 60 -8.658 -6.397 4.493 1.00 0.00 N ATOM 838 CA HIS A 60 -8.042 -7.404 3.579 1.00 0.00 C ATOM 839 C HIS A 60 -6.533 -7.323 3.789 1.00 0.00 C ATOM 840 O HIS A 60 -5.797 -8.244 3.533 1.00 0.00 O ATOM 841 CB HIS A 60 -8.367 -7.054 2.116 1.00 0.00 C ATOM 842 CG HIS A 60 -9.361 -8.030 1.540 1.00 0.00 C ATOM 843 ND1 HIS A 60 -10.644 -7.651 1.140 1.00 0.00 N ATOM 844 CD2 HIS A 60 -9.267 -9.374 1.280 1.00 0.00 C ATOM 845 CE1 HIS A 60 -11.252 -8.758 0.669 1.00 0.00 C ATOM 846 NE2 HIS A 60 -10.458 -9.826 0.733 1.00 0.00 N ATOM 0 H HIS A 60 -9.376 -5.806 4.075 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.424 -8.403 3.789 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.770 -6.043 2.060 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.453 -7.066 1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.398 -9.986 1.472 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.262 -8.777 0.286 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.680 -10.778 0.441 1.00 0.00 H new ATOM 854 N SER A 61 -6.089 -6.200 4.267 1.00 0.00 N ATOM 855 CA SER A 61 -4.636 -5.996 4.518 1.00 0.00 C ATOM 856 C SER A 61 -4.032 -7.229 5.194 1.00 0.00 C ATOM 857 O SER A 61 -2.874 -7.541 5.005 1.00 0.00 O ATOM 858 CB SER A 61 -4.467 -4.776 5.426 1.00 0.00 C ATOM 859 OG SER A 61 -3.244 -4.123 5.115 1.00 0.00 O ATOM 0 H SER A 61 -6.679 -5.401 4.499 1.00 0.00 H new ATOM 0 HA SER A 61 -4.121 -5.837 3.571 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.303 -4.090 5.291 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.472 -5.083 6.472 1.00 0.00 H new ATOM 0 HG SER A 61 -3.135 -3.340 5.694 1.00 0.00 H new ATOM 865 N THR A 62 -4.794 -7.930 5.988 1.00 0.00 N ATOM 866 CA THR A 62 -4.234 -9.124 6.673 1.00 0.00 C ATOM 867 C THR A 62 -4.405 -10.363 5.807 1.00 0.00 C ATOM 868 O THR A 62 -3.447 -10.960 5.367 1.00 0.00 O ATOM 869 CB THR A 62 -4.975 -9.367 7.985 1.00 0.00 C ATOM 870 OG1 THR A 62 -5.822 -8.266 8.268 1.00 0.00 O ATOM 871 CG2 THR A 62 -3.976 -9.561 9.129 1.00 0.00 C ATOM 0 H THR A 62 -5.773 -7.728 6.190 1.00 0.00 H new ATOM 0 HA THR A 62 -3.176 -8.939 6.858 1.00 0.00 H new ATOM 0 HB THR A 62 -5.578 -10.270 7.888 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.292 -7.442 8.286 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.517 -9.733 10.059 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.340 -10.420 8.915 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.359 -8.668 9.228 1.00 0.00 H new ATOM 879 N ILE A 63 -5.627 -10.774 5.587 1.00 0.00 N ATOM 880 CA ILE A 63 -5.853 -12.000 4.783 1.00 0.00 C ATOM 881 C ILE A 63 -5.218 -11.827 3.406 1.00 0.00 C ATOM 882 O ILE A 63 -4.713 -12.762 2.818 1.00 0.00 O ATOM 883 CB ILE A 63 -7.344 -12.274 4.631 1.00 0.00 C ATOM 884 CG1 ILE A 63 -8.047 -10.980 4.249 1.00 0.00 C ATOM 885 CG2 ILE A 63 -7.912 -12.799 5.952 1.00 0.00 C ATOM 886 CD1 ILE A 63 -9.413 -11.297 3.640 1.00 0.00 C ATOM 0 H ILE A 63 -6.470 -10.313 5.929 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.396 -12.847 5.295 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.503 -13.023 3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.168 -10.347 5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.440 -10.422 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.978 -12.993 5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.402 -13.723 6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.760 -12.055 6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.914 -10.368 3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.281 -11.913 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.019 -11.836 4.368 1.00 0.00 H new ATOM 898 N HIS A 64 -5.240 -10.633 2.892 1.00 0.00 N ATOM 899 CA HIS A 64 -4.635 -10.380 1.555 1.00 0.00 C ATOM 900 C HIS A 64 -3.113 -10.468 1.663 1.00 0.00 C ATOM 901 O HIS A 64 -2.458 -11.065 0.831 1.00 0.00 O ATOM 902 CB HIS A 64 -5.022 -8.988 1.056 1.00 0.00 C ATOM 903 CG HIS A 64 -4.427 -8.780 -0.306 1.00 0.00 C ATOM 904 ND1 HIS A 64 -5.180 -8.867 -1.467 1.00 0.00 N ATOM 905 CD2 HIS A 64 -3.145 -8.511 -0.707 1.00 0.00 C ATOM 906 CE1 HIS A 64 -4.348 -8.656 -2.503 1.00 0.00 C ATOM 907 NE2 HIS A 64 -3.097 -8.436 -2.093 1.00 0.00 N ATOM 0 H HIS A 64 -5.653 -9.816 3.341 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.003 -11.128 0.852 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.107 -8.891 1.013 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.661 -8.226 1.746 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.181 -9.056 -1.525 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.301 -8.378 -0.047 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.655 -8.664 -3.539 1.00 0.00 H new ATOM 915 N ALA A 65 -2.541 -9.903 2.694 1.00 0.00 N ATOM 916 CA ALA A 65 -1.060 -9.992 2.850 1.00 0.00 C ATOM 917 C ALA A 65 -0.754 -11.401 3.333 1.00 0.00 C ATOM 918 O ALA A 65 0.345 -11.900 3.238 1.00 0.00 O ATOM 919 CB ALA A 65 -0.582 -8.974 3.887 1.00 0.00 C ATOM 0 H ALA A 65 -3.029 -9.389 3.427 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.554 -9.779 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.500 -9.045 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.848 -7.969 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.057 -9.181 4.846 1.00 0.00 H new ATOM 925 N GLN A 66 -1.755 -12.015 3.870 1.00 0.00 N ATOM 926 CA GLN A 66 -1.651 -13.389 4.415 1.00 0.00 C ATOM 927 C GLN A 66 -1.811 -14.424 3.294 1.00 0.00 C ATOM 928 O GLN A 66 -1.224 -15.487 3.327 1.00 0.00 O ATOM 929 CB GLN A 66 -2.811 -13.514 5.392 1.00 0.00 C ATOM 930 CG GLN A 66 -3.051 -14.955 5.836 1.00 0.00 C ATOM 931 CD GLN A 66 -2.176 -15.277 7.051 1.00 0.00 C ATOM 932 OE1 GLN A 66 -1.007 -15.574 6.911 1.00 0.00 O ATOM 933 NE2 GLN A 66 -2.699 -15.231 8.247 1.00 0.00 N ATOM 0 H GLN A 66 -2.684 -11.604 3.959 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.684 -13.565 4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.612 -12.896 6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.717 -13.125 4.927 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.102 -15.098 6.086 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.821 -15.640 5.020 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.681 -14.982 8.365 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.125 -15.445 9.063 1.00 0.00 H new ATOM 942 N ALA A 67 -2.625 -14.130 2.317 1.00 0.00 N ATOM 943 CA ALA A 67 -2.858 -15.101 1.212 1.00 0.00 C ATOM 944 C ALA A 67 -1.838 -14.880 0.099 1.00 0.00 C ATOM 945 O ALA A 67 -1.283 -15.813 -0.448 1.00 0.00 O ATOM 946 CB ALA A 67 -4.273 -14.907 0.659 1.00 0.00 C ATOM 0 H ALA A 67 -3.141 -13.254 2.237 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.749 -16.116 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.448 -15.616 -0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.000 -15.076 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.379 -13.891 0.280 1.00 0.00 H new ATOM 952 N LYS A 68 -1.601 -13.648 -0.250 1.00 0.00 N ATOM 953 CA LYS A 68 -0.633 -13.350 -1.342 1.00 0.00 C ATOM 954 C LYS A 68 0.723 -13.000 -0.739 1.00 0.00 C ATOM 955 O LYS A 68 1.660 -12.661 -1.435 1.00 0.00 O ATOM 956 CB LYS A 68 -1.156 -12.174 -2.162 1.00 0.00 C ATOM 957 CG LYS A 68 -2.573 -12.492 -2.665 1.00 0.00 C ATOM 958 CD LYS A 68 -3.613 -11.911 -1.704 1.00 0.00 C ATOM 959 CE LYS A 68 -5.010 -12.061 -2.312 1.00 0.00 C ATOM 960 NZ LYS A 68 -5.350 -13.507 -2.424 1.00 0.00 N ATOM 0 H LYS A 68 -2.038 -12.830 0.176 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.520 -14.222 -1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.169 -11.270 -1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.493 -11.982 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.715 -12.076 -3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.705 -13.571 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.565 -12.426 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.399 -10.860 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.746 -11.551 -1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.043 -11.591 -3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.374 -13.781 -3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.632 -14.072 -1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.282 -13.679 -1.996 1.00 0.00 H new ATOM 974 N LYS A 69 0.831 -13.089 0.552 1.00 0.00 N ATOM 975 CA LYS A 69 2.119 -12.777 1.226 1.00 0.00 C ATOM 976 C LYS A 69 2.582 -11.362 0.856 1.00 0.00 C ATOM 977 O LYS A 69 3.721 -11.001 1.074 1.00 0.00 O ATOM 978 CB LYS A 69 3.181 -13.802 0.798 1.00 0.00 C ATOM 979 CG LYS A 69 3.196 -14.984 1.778 1.00 0.00 C ATOM 980 CD LYS A 69 1.765 -15.491 2.017 1.00 0.00 C ATOM 981 CE LYS A 69 1.797 -16.988 2.341 1.00 0.00 C ATOM 982 NZ LYS A 69 0.503 -17.389 2.962 1.00 0.00 N ATOM 0 H LYS A 69 0.075 -13.367 1.177 1.00 0.00 H new ATOM 0 HA LYS A 69 1.979 -12.828 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.969 -14.158 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.163 -13.330 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.813 -15.789 1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.644 -14.677 2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.306 -14.941 2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.153 -15.313 1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.971 -17.564 1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.622 -17.207 3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.633 -17.512 3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.209 -16.651 2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.180 -18.285 2.544 1.00 0.00 H new ATOM 996 N HIS A 70 1.707 -10.547 0.327 1.00 0.00 N ATOM 997 CA HIS A 70 2.115 -9.150 -0.013 1.00 0.00 C ATOM 998 C HIS A 70 2.252 -8.383 1.305 1.00 0.00 C ATOM 999 O HIS A 70 1.327 -8.318 2.089 1.00 0.00 O ATOM 1000 CB HIS A 70 1.057 -8.511 -0.917 1.00 0.00 C ATOM 1001 CG HIS A 70 1.084 -9.206 -2.256 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -0.020 -9.247 -3.098 1.00 0.00 N ATOM 1003 CD2 HIS A 70 2.077 -9.898 -2.910 1.00 0.00 C ATOM 1004 CE1 HIS A 70 0.334 -9.940 -4.196 1.00 0.00 C ATOM 1005 NE2 HIS A 70 1.597 -10.357 -4.129 1.00 0.00 N ATOM 0 H HIS A 70 0.737 -10.784 0.117 1.00 0.00 H new ATOM 0 HA HIS A 70 3.062 -9.132 -0.552 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.069 -8.600 -0.465 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.257 -7.446 -1.039 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.076 -10.059 -2.533 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.325 -10.134 -5.029 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.105 -10.900 -4.827 1.00 0.00 H new ATOM 1013 N ASN A 71 3.413 -7.846 1.583 1.00 0.00 N ATOM 1014 CA ASN A 71 3.613 -7.142 2.883 1.00 0.00 C ATOM 1015 C ASN A 71 3.252 -5.660 2.774 1.00 0.00 C ATOM 1016 O ASN A 71 2.623 -5.102 3.650 1.00 0.00 O ATOM 1017 CB ASN A 71 5.086 -7.273 3.293 1.00 0.00 C ATOM 1018 CG ASN A 71 5.730 -8.444 2.546 1.00 0.00 C ATOM 1019 OD1 ASN A 71 5.179 -9.527 2.501 1.00 0.00 O ATOM 1020 ND2 ASN A 71 6.879 -8.271 1.953 1.00 0.00 N ATOM 0 H ASN A 71 4.227 -7.865 0.968 1.00 0.00 H new ATOM 0 HA ASN A 71 2.962 -7.597 3.629 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.619 -6.349 3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.161 -7.431 4.369 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.316 -9.044 1.451 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.341 -7.362 1.991 1.00 0.00 H new ATOM 1027 N LEU A 72 3.683 -5.010 1.734 1.00 0.00 N ATOM 1028 CA LEU A 72 3.412 -3.551 1.606 1.00 0.00 C ATOM 1029 C LEU A 72 2.023 -3.255 1.045 1.00 0.00 C ATOM 1030 O LEU A 72 1.561 -3.864 0.101 1.00 0.00 O ATOM 1031 CB LEU A 72 4.457 -2.937 0.687 1.00 0.00 C ATOM 1032 CG LEU A 72 5.825 -2.989 1.366 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.906 -2.727 0.325 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.908 -1.918 2.463 1.00 0.00 C ATOM 0 H LEU A 72 4.211 -5.424 0.966 1.00 0.00 H new ATOM 0 HA LEU A 72 3.458 -3.120 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.488 -3.478 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.193 -1.905 0.456 1.00 0.00 H new ATOM 0 HG LEU A 72 5.968 -3.972 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.886 -2.762 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.853 -3.488 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.753 -1.743 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.886 -1.962 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.765 -0.932 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.132 -2.098 3.207 1.00 0.00 H new ATOM 1046 N THR A 73 1.389 -2.272 1.620 1.00 0.00 N ATOM 1047 CA THR A 73 0.046 -1.826 1.163 1.00 0.00 C ATOM 1048 C THR A 73 -0.048 -0.335 1.487 1.00 0.00 C ATOM 1049 O THR A 73 0.702 0.158 2.301 1.00 0.00 O ATOM 1050 CB THR A 73 -1.049 -2.594 1.910 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.140 -2.107 3.243 1.00 0.00 O ATOM 1052 CG2 THR A 73 -0.714 -4.086 1.935 1.00 0.00 C ATOM 0 H THR A 73 1.759 -1.745 2.411 1.00 0.00 H new ATOM 0 HA THR A 73 -0.088 -2.010 0.097 1.00 0.00 H new ATOM 0 HB THR A 73 -2.001 -2.450 1.400 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.082 -1.991 3.485 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.497 -4.626 2.468 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.645 -4.461 0.914 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.239 -4.236 2.441 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.930 0.402 0.865 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.997 1.867 1.167 1.00 0.00 C ATOM 1062 C VAL A 74 -2.389 2.266 1.649 1.00 0.00 C ATOM 1063 O VAL A 74 -3.392 1.980 1.025 1.00 0.00 O ATOM 1064 CB VAL A 74 -0.628 2.662 -0.092 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -1.331 2.055 -1.309 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -1.067 4.123 0.064 1.00 0.00 C ATOM 0 H VAL A 74 -1.597 0.063 0.172 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.289 2.091 1.965 1.00 0.00 H new ATOM 0 HB VAL A 74 0.452 2.620 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.067 2.622 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.017 1.018 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.410 2.092 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.801 4.681 -0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.146 4.165 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.566 4.563 0.926 1.00 0.00 H new ATOM 1076 N ASN A 75 -2.440 2.944 2.767 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.743 3.395 3.323 1.00 0.00 C ATOM 1078 C ASN A 75 -4.183 4.661 2.595 1.00 0.00 C ATOM 1079 O ASN A 75 -3.661 5.735 2.820 1.00 0.00 O ATOM 1080 CB ASN A 75 -3.585 3.692 4.816 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.963 3.934 5.434 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -6.001 4.053 4.653 1.00 0.00 O flip ATOM 1083 ND2 ASN A 75 -5.095 4.015 6.639 1.00 0.00 N flip ATOM 0 H ASN A 75 -1.624 3.205 3.321 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.492 2.614 3.188 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.092 2.857 5.314 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.951 4.567 4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.282 3.922 7.248 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.018 4.176 7.041 1.00 0.00 H new ATOM 1090 N LEU A 76 -5.138 4.542 1.720 1.00 0.00 N ATOM 1091 CA LEU A 76 -5.614 5.735 0.968 1.00 0.00 C ATOM 1092 C LEU A 76 -6.335 6.675 1.930 1.00 0.00 C ATOM 1093 O LEU A 76 -6.912 7.668 1.536 1.00 0.00 O ATOM 1094 CB LEU A 76 -6.569 5.283 -0.141 1.00 0.00 C ATOM 1095 CG LEU A 76 -6.011 4.011 -0.824 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -7.136 2.989 -1.074 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -5.339 4.382 -2.155 1.00 0.00 C ATOM 0 H LEU A 76 -5.612 3.668 1.492 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.769 6.258 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.556 5.081 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.691 6.079 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.273 3.560 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.722 2.103 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.590 2.708 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.893 3.432 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.949 3.481 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.070 4.851 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.520 5.077 -1.968 1.00 0.00 H new ATOM 1109 N THR A 77 -6.292 6.368 3.195 1.00 0.00 N ATOM 1110 CA THR A 77 -6.956 7.236 4.202 1.00 0.00 C ATOM 1111 C THR A 77 -5.968 8.301 4.661 1.00 0.00 C ATOM 1112 O THR A 77 -6.317 9.450 4.853 1.00 0.00 O ATOM 1113 CB THR A 77 -7.368 6.387 5.402 1.00 0.00 C ATOM 1114 OG1 THR A 77 -8.175 5.311 4.952 1.00 0.00 O ATOM 1115 CG2 THR A 77 -8.146 7.250 6.398 1.00 0.00 C ATOM 0 H THR A 77 -5.822 5.547 3.576 1.00 0.00 H new ATOM 0 HA THR A 77 -7.837 7.707 3.765 1.00 0.00 H new ATOM 0 HB THR A 77 -6.482 5.991 5.898 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.603 4.599 4.596 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.439 6.643 7.254 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.516 8.073 6.736 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.037 7.650 5.914 1.00 0.00 H new ATOM 1123 N THR A 78 -4.738 7.916 4.854 1.00 0.00 N ATOM 1124 CA THR A 78 -3.706 8.894 5.323 1.00 0.00 C ATOM 1125 C THR A 78 -2.582 9.051 4.293 1.00 0.00 C ATOM 1126 O THR A 78 -1.815 9.992 4.350 1.00 0.00 O ATOM 1127 CB THR A 78 -3.110 8.407 6.643 1.00 0.00 C ATOM 1128 OG1 THR A 78 -4.157 7.971 7.500 1.00 0.00 O ATOM 1129 CG2 THR A 78 -2.340 9.547 7.311 1.00 0.00 C ATOM 0 H THR A 78 -4.398 6.965 4.708 1.00 0.00 H new ATOM 0 HA THR A 78 -4.189 9.862 5.458 1.00 0.00 H new ATOM 0 HB THR A 78 -2.428 7.578 6.451 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.251 8.599 8.247 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.916 9.197 8.252 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.537 9.879 6.652 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.017 10.379 7.505 1.00 0.00 H new ATOM 1137 N PHE A 79 -2.473 8.152 3.356 1.00 0.00 N ATOM 1138 CA PHE A 79 -1.394 8.268 2.327 1.00 0.00 C ATOM 1139 C PHE A 79 -0.054 7.783 2.903 1.00 0.00 C ATOM 1140 O PHE A 79 0.946 8.471 2.852 1.00 0.00 O ATOM 1141 CB PHE A 79 -1.271 9.732 1.866 1.00 0.00 C ATOM 1142 CG PHE A 79 -0.945 9.783 0.388 1.00 0.00 C ATOM 1143 CD1 PHE A 79 0.112 9.022 -0.127 1.00 0.00 C ATOM 1144 CD2 PHE A 79 -1.703 10.594 -0.466 1.00 0.00 C ATOM 1145 CE1 PHE A 79 0.409 9.072 -1.494 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -1.404 10.645 -1.833 1.00 0.00 C ATOM 1147 CZ PHE A 79 -0.348 9.885 -2.347 1.00 0.00 C ATOM 0 H PHE A 79 -3.083 7.341 3.255 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.652 7.643 1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.203 10.263 2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.492 10.237 2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.698 8.397 0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.519 11.181 -0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 79 1.223 8.483 -1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.989 11.271 -2.491 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.117 9.925 -3.401 1.00 0.00 H new ATOM 1157 N ARG A 80 -0.028 6.585 3.415 1.00 0.00 N ATOM 1158 CA ARG A 80 1.233 6.009 3.961 1.00 0.00 C ATOM 1159 C ARG A 80 1.229 4.525 3.607 1.00 0.00 C ATOM 1160 O ARG A 80 0.313 4.043 2.978 1.00 0.00 O ATOM 1161 CB ARG A 80 1.321 6.184 5.486 1.00 0.00 C ATOM 1162 CG ARG A 80 -0.039 6.593 6.065 1.00 0.00 C ATOM 1163 CD ARG A 80 -0.067 6.247 7.558 1.00 0.00 C ATOM 1164 NE ARG A 80 -1.390 6.605 8.148 1.00 0.00 N ATOM 1165 CZ ARG A 80 -2.346 5.716 8.218 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -3.491 6.033 8.757 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -2.162 4.513 7.745 1.00 0.00 N ATOM 0 H ARG A 80 -0.840 5.971 3.479 1.00 0.00 H new ATOM 0 HA ARG A 80 2.094 6.523 3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.652 5.252 5.945 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.067 6.941 5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.204 7.661 5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.843 6.074 5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.124 5.183 7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.727 6.783 8.077 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.549 7.549 8.499 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.639 6.973 9.123 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.238 5.340 8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.270 4.264 7.319 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.911 3.823 7.802 1.00 0.00 H new ATOM 1181 N LEU A 81 2.237 3.799 3.985 1.00 0.00 N ATOM 1182 CA LEU A 81 2.271 2.351 3.639 1.00 0.00 C ATOM 1183 C LEU A 81 2.202 1.503 4.902 1.00 0.00 C ATOM 1184 O LEU A 81 2.157 2.001 6.008 1.00 0.00 O ATOM 1185 CB LEU A 81 3.565 2.044 2.875 1.00 0.00 C ATOM 1186 CG LEU A 81 3.314 2.103 1.362 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.588 2.572 0.651 1.00 0.00 C ATOM 1188 CD2 LEU A 81 2.907 0.717 0.827 1.00 0.00 C ATOM 0 H LEU A 81 3.038 4.141 4.517 1.00 0.00 H new ATOM 0 HA LEU A 81 1.411 2.112 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.338 2.761 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.934 1.056 3.152 1.00 0.00 H new ATOM 0 HG LEU A 81 2.503 2.805 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.410 2.614 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.863 3.563 1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.398 1.873 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.733 0.778 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.705 0.002 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.994 0.389 1.324 1.00 0.00 H new ATOM 1200 N TRP A 82 2.197 0.217 4.726 1.00 0.00 N ATOM 1201 CA TRP A 82 2.137 -0.715 5.879 1.00 0.00 C ATOM 1202 C TRP A 82 2.768 -2.032 5.445 1.00 0.00 C ATOM 1203 O TRP A 82 2.233 -2.742 4.616 1.00 0.00 O ATOM 1204 CB TRP A 82 0.677 -0.949 6.274 1.00 0.00 C ATOM 1205 CG TRP A 82 0.599 -2.054 7.280 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.412 -3.360 6.984 1.00 0.00 C ATOM 1207 CD2 TRP A 82 0.703 -1.974 8.731 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.393 -4.088 8.159 1.00 0.00 N ATOM 1209 CE2 TRP A 82 0.569 -3.278 9.264 1.00 0.00 C ATOM 1210 CE3 TRP A 82 0.897 -0.909 9.628 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 0.625 -3.516 10.638 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 0.955 -1.144 11.011 1.00 0.00 C ATOM 1213 CH2 TRP A 82 0.819 -2.445 11.515 1.00 0.00 C ATOM 0 H TRP A 82 2.233 -0.237 3.813 1.00 0.00 H new ATOM 0 HA TRP A 82 2.669 -0.300 6.735 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.251 -0.035 6.689 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.088 -1.204 5.393 1.00 0.00 H new ATOM 0 HD1 TRP A 82 0.296 -3.768 5.991 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.265 -5.099 8.204 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.002 0.097 9.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.519 -4.520 11.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 1.105 -0.318 11.690 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.864 -2.620 12.580 1.00 0.00 H new ATOM 1224 N CYS A 83 3.907 -2.358 5.976 1.00 0.00 N ATOM 1225 CA CYS A 83 4.575 -3.617 5.571 1.00 0.00 C ATOM 1226 C CYS A 83 4.218 -4.730 6.542 1.00 0.00 C ATOM 1227 O CYS A 83 4.675 -4.743 7.656 1.00 0.00 O ATOM 1228 CB CYS A 83 6.088 -3.409 5.593 1.00 0.00 C ATOM 1229 SG CYS A 83 6.830 -4.341 4.238 1.00 0.00 S ATOM 0 H CYS A 83 4.405 -1.806 6.674 1.00 0.00 H new ATOM 0 HA CYS A 83 4.245 -3.891 4.569 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.324 -2.349 5.494 1.00 0.00 H new ATOM 0 HB3 CYS A 83 6.499 -3.739 6.547 1.00 0.00 H new ATOM 1234 N TYR A 84 3.441 -5.686 6.127 1.00 0.00 N ATOM 1235 CA TYR A 84 3.126 -6.800 7.057 1.00 0.00 C ATOM 1236 C TYR A 84 4.410 -7.608 7.227 1.00 0.00 C ATOM 1237 O TYR A 84 4.455 -8.602 7.924 1.00 0.00 O ATOM 1238 CB TYR A 84 2.014 -7.680 6.473 1.00 0.00 C ATOM 1239 CG TYR A 84 1.362 -8.471 7.582 1.00 0.00 C ATOM 1240 CD1 TYR A 84 1.822 -9.758 7.888 1.00 0.00 C ATOM 1241 CD2 TYR A 84 0.300 -7.917 8.307 1.00 0.00 C ATOM 1242 CE1 TYR A 84 1.219 -10.491 8.916 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -0.303 -8.651 9.336 1.00 0.00 C ATOM 1244 CZ TYR A 84 0.156 -9.937 9.641 1.00 0.00 C ATOM 1245 OH TYR A 84 -0.438 -10.660 10.655 1.00 0.00 O ATOM 0 H TYR A 84 3.017 -5.745 5.201 1.00 0.00 H new ATOM 0 HA TYR A 84 2.774 -6.422 8.017 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.272 -7.060 5.969 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.426 -8.356 5.724 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.642 -10.185 7.330 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.054 -6.924 8.073 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.573 -11.484 9.151 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.123 -8.224 9.894 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.158 -10.130 11.056 1.00 0.00 H new ATOM 1255 N ALA A 85 5.465 -7.148 6.604 1.00 0.00 N ATOM 1256 CA ALA A 85 6.778 -7.829 6.722 1.00 0.00 C ATOM 1257 C ALA A 85 7.600 -7.030 7.726 1.00 0.00 C ATOM 1258 O ALA A 85 7.806 -7.451 8.847 1.00 0.00 O ATOM 1259 CB ALA A 85 7.490 -7.849 5.368 1.00 0.00 C ATOM 0 H ALA A 85 5.466 -6.318 6.012 1.00 0.00 H new ATOM 0 HA ALA A 85 6.650 -8.861 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.452 -8.352 5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.877 -8.383 4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.650 -6.827 5.026 1.00 0.00 H new ATOM 1265 N CYS A 86 8.021 -5.845 7.359 1.00 0.00 N ATOM 1266 CA CYS A 86 8.757 -5.008 8.327 1.00 0.00 C ATOM 1267 C CYS A 86 7.759 -4.696 9.432 1.00 0.00 C ATOM 1268 O CYS A 86 8.092 -4.197 10.489 1.00 0.00 O ATOM 1269 CB CYS A 86 9.219 -3.712 7.652 1.00 0.00 C ATOM 1270 SG CYS A 86 10.163 -4.105 6.158 1.00 0.00 S ATOM 0 H CYS A 86 7.883 -5.432 6.436 1.00 0.00 H new ATOM 0 HA CYS A 86 9.644 -5.511 8.712 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.357 -3.096 7.397 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.834 -3.131 8.340 1.00 0.00 H new ATOM 1275 N GLU A 87 6.518 -5.013 9.166 1.00 0.00 N ATOM 1276 CA GLU A 87 5.434 -4.776 10.151 1.00 0.00 C ATOM 1277 C GLU A 87 5.553 -3.354 10.705 1.00 0.00 C ATOM 1278 O GLU A 87 5.815 -3.139 11.872 1.00 0.00 O ATOM 1279 CB GLU A 87 5.547 -5.828 11.256 1.00 0.00 C ATOM 1280 CG GLU A 87 4.286 -6.699 11.283 1.00 0.00 C ATOM 1281 CD GLU A 87 3.120 -5.892 11.856 1.00 0.00 C ATOM 1282 OE1 GLU A 87 3.354 -4.774 12.288 1.00 0.00 O ATOM 1283 OE2 GLU A 87 2.013 -6.403 11.854 1.00 0.00 O ATOM 0 H GLU A 87 6.210 -5.434 8.289 1.00 0.00 H new ATOM 0 HA GLU A 87 4.453 -4.867 9.684 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.425 -6.451 11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.682 -5.340 12.221 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.046 -7.041 10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.459 -7.589 11.889 1.00 0.00 H new ATOM 1290 N LYS A 88 5.355 -2.381 9.857 1.00 0.00 N ATOM 1291 CA LYS A 88 5.444 -0.962 10.300 1.00 0.00 C ATOM 1292 C LYS A 88 4.788 -0.072 9.244 1.00 0.00 C ATOM 1293 O LYS A 88 4.259 -0.553 8.263 1.00 0.00 O ATOM 1294 CB LYS A 88 6.912 -0.566 10.457 1.00 0.00 C ATOM 1295 CG LYS A 88 7.703 -1.097 9.263 1.00 0.00 C ATOM 1296 CD LYS A 88 9.106 -0.482 9.257 1.00 0.00 C ATOM 1297 CE LYS A 88 9.863 -0.904 10.522 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.653 0.116 11.588 1.00 0.00 N ATOM 0 H LYS A 88 5.134 -2.510 8.870 1.00 0.00 H new ATOM 0 HA LYS A 88 4.935 -0.841 11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.005 0.518 10.517 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.314 -0.972 11.385 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.772 -2.184 9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.185 -0.854 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.651 -0.806 8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.037 0.605 9.209 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.512 -1.878 10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.926 -1.006 10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.567 0.539 11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.015 0.859 11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.231 -0.337 12.424 1.00 0.00 H new ATOM 1312 N GLU A 89 4.826 1.219 9.432 1.00 0.00 N ATOM 1313 CA GLU A 89 4.210 2.148 8.436 1.00 0.00 C ATOM 1314 C GLU A 89 5.324 2.910 7.715 1.00 0.00 C ATOM 1315 O GLU A 89 6.351 3.206 8.292 1.00 0.00 O ATOM 1316 CB GLU A 89 3.290 3.134 9.174 1.00 0.00 C ATOM 1317 CG GLU A 89 1.888 3.119 8.550 1.00 0.00 C ATOM 1318 CD GLU A 89 0.873 3.647 9.567 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.255 4.468 10.384 1.00 0.00 O ATOM 1320 OE2 GLU A 89 -0.268 3.221 9.510 1.00 0.00 O ATOM 0 H GLU A 89 5.259 1.674 10.236 1.00 0.00 H new ATOM 0 HA GLU A 89 3.625 1.588 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.229 2.866 10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.708 4.140 9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.872 3.734 7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.623 2.106 8.248 1.00 0.00 H new ATOM 1327 N VAL A 90 5.145 3.226 6.458 1.00 0.00 N ATOM 1328 CA VAL A 90 6.221 3.958 5.731 1.00 0.00 C ATOM 1329 C VAL A 90 5.606 4.819 4.622 1.00 0.00 C ATOM 1330 O VAL A 90 4.601 4.484 4.044 1.00 0.00 O ATOM 1331 CB VAL A 90 7.212 2.942 5.130 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.453 2.839 6.023 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.546 1.563 5.041 1.00 0.00 C ATOM 0 H VAL A 90 4.311 3.012 5.911 1.00 0.00 H new ATOM 0 HA VAL A 90 6.753 4.610 6.424 1.00 0.00 H new ATOM 0 HB VAL A 90 7.503 3.276 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.151 2.120 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.934 3.815 6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.158 2.509 7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.249 0.846 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.253 1.236 6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.663 1.626 4.405 1.00 0.00 H new ATOM 1343 N PHE A 91 6.210 5.931 4.326 1.00 0.00 N ATOM 1344 CA PHE A 91 5.675 6.824 3.258 1.00 0.00 C ATOM 1345 C PHE A 91 6.503 6.652 2.001 1.00 0.00 C ATOM 1346 O PHE A 91 7.563 6.058 2.021 1.00 0.00 O ATOM 1347 CB PHE A 91 5.805 8.281 3.680 1.00 0.00 C ATOM 1348 CG PHE A 91 4.973 8.534 4.915 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.390 8.031 6.153 1.00 0.00 C ATOM 1350 CD2 PHE A 91 3.786 9.271 4.822 1.00 0.00 C ATOM 1351 CE1 PHE A 91 4.620 8.265 7.298 1.00 0.00 C ATOM 1352 CE2 PHE A 91 3.016 9.504 5.969 1.00 0.00 C ATOM 1353 CZ PHE A 91 3.434 9.002 7.206 1.00 0.00 C ATOM 0 H PHE A 91 7.060 6.266 4.780 1.00 0.00 H new ATOM 0 HA PHE A 91 4.630 6.566 3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.850 8.519 3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.478 8.934 2.871 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.306 7.463 6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.464 9.659 3.867 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.941 7.877 8.253 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.100 10.071 5.898 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.841 9.183 8.090 1.00 0.00 H new ATOM 1363 N LEU A 92 6.045 7.193 0.909 1.00 0.00 N ATOM 1364 CA LEU A 92 6.827 7.089 -0.341 1.00 0.00 C ATOM 1365 C LEU A 92 8.289 7.366 0.006 1.00 0.00 C ATOM 1366 O LEU A 92 8.594 8.189 0.844 1.00 0.00 O ATOM 1367 CB LEU A 92 6.326 8.119 -1.373 1.00 0.00 C ATOM 1368 CG LEU A 92 5.009 8.751 -0.906 1.00 0.00 C ATOM 1369 CD1 LEU A 92 4.636 9.897 -1.849 1.00 0.00 C ATOM 1370 CD2 LEU A 92 3.893 7.697 -0.923 1.00 0.00 C ATOM 0 H LEU A 92 5.164 7.701 0.833 1.00 0.00 H new ATOM 0 HA LEU A 92 6.716 6.096 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.078 8.895 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.181 7.634 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 92 5.131 9.132 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.700 10.349 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.425 10.649 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.517 9.511 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.959 8.150 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.770 7.314 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.156 6.877 -0.255 1.00 0.00 H new ATOM 1382 N GLU A 93 9.183 6.669 -0.616 1.00 0.00 N ATOM 1383 CA GLU A 93 10.635 6.856 -0.332 1.00 0.00 C ATOM 1384 C GLU A 93 11.001 8.351 -0.319 1.00 0.00 C ATOM 1385 O GLU A 93 12.147 8.707 -0.137 1.00 0.00 O ATOM 1386 CB GLU A 93 11.457 6.128 -1.397 1.00 0.00 C ATOM 1387 CG GLU A 93 10.852 6.393 -2.774 1.00 0.00 C ATOM 1388 CD GLU A 93 11.540 5.509 -3.815 1.00 0.00 C ATOM 1389 OE1 GLU A 93 11.230 5.655 -4.986 1.00 0.00 O ATOM 1390 OE2 GLU A 93 12.366 4.701 -3.424 1.00 0.00 O ATOM 0 H GLU A 93 8.973 5.964 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 93 10.857 6.442 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.492 6.470 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.470 5.057 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.782 6.187 -2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.971 7.444 -3.039 1.00 0.00 H new ATOM 1397 N GLN A 94 10.040 9.227 -0.492 1.00 0.00 N ATOM 1398 CA GLN A 94 10.337 10.693 -0.466 1.00 0.00 C ATOM 1399 C GLN A 94 11.259 11.084 -1.624 1.00 0.00 C ATOM 1400 O GLN A 94 11.477 12.251 -1.881 1.00 0.00 O ATOM 1401 CB GLN A 94 11.027 11.048 0.847 1.00 0.00 C ATOM 1402 CG GLN A 94 10.353 10.305 2.002 1.00 0.00 C ATOM 1403 CD GLN A 94 10.732 10.966 3.329 1.00 0.00 C ATOM 1404 OE1 GLN A 94 9.941 11.677 3.915 1.00 0.00 O ATOM 1405 NE2 GLN A 94 11.919 10.761 3.830 1.00 0.00 N ATOM 0 H GLN A 94 9.061 8.988 -0.650 1.00 0.00 H new ATOM 0 HA GLN A 94 9.396 11.234 -0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.083 10.782 0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.977 12.124 1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.271 10.318 1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.661 9.259 2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.584 10.164 3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.182 11.198 4.713 1.00 0.00 H new ATOM 1414 N ARG A 95 11.807 10.132 -2.322 1.00 0.00 N ATOM 1415 CA ARG A 95 12.713 10.483 -3.450 1.00 0.00 C ATOM 1416 C ARG A 95 11.867 10.961 -4.619 1.00 0.00 C ATOM 1417 O ARG A 95 12.296 11.741 -5.446 1.00 0.00 O ATOM 1418 CB ARG A 95 13.536 9.246 -3.856 1.00 0.00 C ATOM 1419 CG ARG A 95 12.797 8.409 -4.917 1.00 0.00 C ATOM 1420 CD ARG A 95 13.119 8.920 -6.328 1.00 0.00 C ATOM 1421 NE ARG A 95 14.315 8.202 -6.854 1.00 0.00 N ATOM 1422 CZ ARG A 95 14.817 8.531 -8.012 1.00 0.00 C ATOM 1423 NH1 ARG A 95 15.863 7.899 -8.472 1.00 0.00 N ATOM 1424 NH2 ARG A 95 14.275 9.490 -8.710 1.00 0.00 N ATOM 0 H ARG A 95 11.669 9.134 -2.163 1.00 0.00 H new ATOM 0 HA ARG A 95 13.401 11.273 -3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.503 9.562 -4.247 1.00 0.00 H new ATOM 0 HB3 ARG A 95 13.733 8.632 -2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.087 7.362 -4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.722 8.458 -4.743 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.266 8.761 -6.988 1.00 0.00 H new ATOM 0 HD3 ARG A 95 13.307 9.993 -6.304 1.00 0.00 H new ATOM 0 HE ARG A 95 14.741 7.453 -6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 95 16.287 7.149 -7.926 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.256 8.155 -9.377 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.458 9.983 -8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.668 9.747 -9.615 1.00 0.00 H new ATOM 1438 N LEU A 96 10.663 10.488 -4.686 1.00 0.00 N ATOM 1439 CA LEU A 96 9.770 10.893 -5.806 1.00 0.00 C ATOM 1440 C LEU A 96 9.637 12.417 -5.821 1.00 0.00 C ATOM 1441 O LEU A 96 10.548 13.130 -6.195 1.00 0.00 O ATOM 1442 CB LEU A 96 8.378 10.235 -5.665 1.00 0.00 C ATOM 1443 CG LEU A 96 8.017 9.936 -4.192 1.00 0.00 C ATOM 1444 CD1 LEU A 96 8.877 8.786 -3.657 1.00 0.00 C ATOM 1445 CD2 LEU A 96 8.198 11.177 -3.300 1.00 0.00 C ATOM 0 H LEU A 96 10.253 9.838 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 96 10.207 10.556 -6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.623 10.892 -6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.357 9.308 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 96 6.966 9.649 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.612 8.586 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.701 7.892 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.930 9.061 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.935 10.928 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.237 11.505 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.551 11.979 -3.656 1.00 0.00 H new ATOM 1457 N ALA A 97 8.509 12.916 -5.421 1.00 0.00 N ATOM 1458 CA ALA A 97 8.296 14.388 -5.404 1.00 0.00 C ATOM 1459 C ALA A 97 8.342 14.926 -6.837 1.00 0.00 C ATOM 1460 O ALA A 97 8.571 14.193 -7.778 1.00 0.00 O ATOM 1461 CB ALA A 97 9.390 15.056 -4.565 1.00 0.00 C ATOM 0 H ALA A 97 7.714 12.363 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 97 7.323 14.610 -4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 97 9.232 16.134 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.351 14.673 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.366 14.837 -4.998 1.00 0.00 H new ATOM 1467 N ALA A 98 8.125 16.201 -7.009 1.00 0.00 N ATOM 1468 CA ALA A 98 8.155 16.783 -8.380 1.00 0.00 C ATOM 1469 C ALA A 98 7.061 16.125 -9.231 1.00 0.00 C ATOM 1470 O ALA A 98 6.717 14.978 -9.025 1.00 0.00 O ATOM 1471 CB ALA A 98 9.528 16.521 -9.011 1.00 0.00 C ATOM 0 H ALA A 98 7.928 16.864 -6.260 1.00 0.00 H new ATOM 0 HA ALA A 98 7.979 17.858 -8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.554 16.945 -10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.303 16.984 -8.401 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.704 15.447 -9.067 1.00 0.00 H new ATOM 1477 N PRO A 99 6.516 16.843 -10.183 1.00 0.00 N ATOM 1478 CA PRO A 99 5.444 16.310 -11.075 1.00 0.00 C ATOM 1479 C PRO A 99 5.975 15.250 -12.044 1.00 0.00 C ATOM 1480 O PRO A 99 7.143 15.322 -12.388 1.00 0.00 O ATOM 1481 CB PRO A 99 4.956 17.547 -11.839 1.00 0.00 C ATOM 1482 CG PRO A 99 6.108 18.497 -11.820 1.00 0.00 C ATOM 1483 CD PRO A 99 6.859 18.237 -10.513 1.00 0.00 C ATOM 1484 OXT PRO A 99 5.203 14.385 -12.426 1.00 0.00 O ATOM 0 HA PRO A 99 4.655 15.812 -10.511 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.672 17.293 -12.860 1.00 0.00 H new ATOM 0 HB3 PRO A 99 4.078 17.983 -11.363 1.00 0.00 H new ATOM 0 HG2 PRO A 99 6.758 18.337 -12.680 1.00 0.00 H new ATOM 0 HG3 PRO A 99 5.761 19.529 -11.870 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.934 18.366 -10.637 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.544 18.923 -9.727 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 9.099 -4.081 4.099 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -11.817 -6.050 1.461 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -1.506 -7.920 -3.176 1.00 0.00 ZN