USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 665 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 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 44 GLN :FLIP amide:sc= -1.09 F(o=-2.8!,f=-1.1) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.434) USER MOD Set 2.1: A 40 THR OG1 : rot -157:sc= -0.572! USER MOD Set 2.2: A 77 ASN :FLIP amide:sc= -6.68! C(o=-9.5!,f=-7.3!) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0827 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 22 MET CE :methyl -104:sc= -2.03! (180deg=-4.99!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -2:sc= -1 USER MOD Single : A 29 GLN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.724) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -3.27 F(o=-4.4!,f=-3.3) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 86:sc= 0.0898 USER MOD Single : A 55 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 63 SER OG : rot -2:sc= 0.0567 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 70:sc= -2.87! USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.28) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.195 -3.366 10.738 1.00 0.00 N ATOM 2 CA GLY A 1 -38.922 -4.433 9.793 1.00 0.00 C ATOM 3 C GLY A 1 -37.812 -5.354 10.261 1.00 0.00 C ATOM 4 O GLY A 1 -37.434 -5.334 11.432 1.00 0.00 O ATOM 0 H1 GLY A 1 -40.222 -3.222 10.812 1.00 0.00 H new ATOM 0 H2 GLY A 1 -38.813 -3.622 11.671 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.746 -2.488 10.409 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.830 -5.015 9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.649 -4.000 8.830 1.00 0.00 H new ATOM 8 N SER A 2 -37.291 -6.163 9.346 1.00 0.00 N ATOM 9 CA SER A 2 -36.221 -7.099 9.673 1.00 0.00 C ATOM 10 C SER A 2 -35.532 -7.600 8.407 1.00 0.00 C ATOM 11 O SER A 2 -36.184 -8.081 7.481 1.00 0.00 O ATOM 12 CB SER A 2 -36.776 -8.283 10.467 1.00 0.00 C ATOM 13 OG SER A 2 -35.748 -8.942 11.185 1.00 0.00 O ATOM 0 H SER A 2 -37.592 -6.190 8.372 1.00 0.00 H new ATOM 0 HA SER A 2 -35.486 -6.574 10.283 1.00 0.00 H new ATOM 0 HB2 SER A 2 -37.541 -7.933 11.160 1.00 0.00 H new ATOM 0 HB3 SER A 2 -37.258 -8.986 9.788 1.00 0.00 H new ATOM 0 HG SER A 2 -36.129 -9.694 11.685 1.00 0.00 H new ATOM 19 N SER A 3 -34.208 -7.484 8.377 1.00 0.00 N ATOM 20 CA SER A 3 -33.429 -7.920 7.225 1.00 0.00 C ATOM 21 C SER A 3 -32.163 -8.647 7.669 1.00 0.00 C ATOM 22 O SER A 3 -31.880 -8.752 8.862 1.00 0.00 O ATOM 23 CB SER A 3 -33.061 -6.723 6.347 1.00 0.00 C ATOM 24 OG SER A 3 -32.348 -5.748 7.087 1.00 0.00 O ATOM 0 H SER A 3 -33.653 -7.092 9.138 1.00 0.00 H new ATOM 0 HA SER A 3 -34.041 -8.611 6.646 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.456 -7.058 5.504 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.967 -6.280 5.933 1.00 0.00 H new ATOM 0 HG SER A 3 -32.123 -4.994 6.503 1.00 0.00 H new ATOM 30 N GLY A 4 -31.403 -9.147 6.699 1.00 0.00 N ATOM 31 CA GLY A 4 -30.176 -9.857 7.009 1.00 0.00 C ATOM 32 C GLY A 4 -29.130 -9.709 5.922 1.00 0.00 C ATOM 33 O GLY A 4 -29.375 -9.072 4.897 1.00 0.00 O ATOM 0 H GLY A 4 -31.615 -9.073 5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.772 -9.485 7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.398 -10.914 7.154 1.00 0.00 H new ATOM 37 N SER A 5 -27.959 -10.297 6.146 1.00 0.00 N ATOM 38 CA SER A 5 -26.869 -10.222 5.179 1.00 0.00 C ATOM 39 C SER A 5 -25.771 -11.224 5.521 1.00 0.00 C ATOM 40 O SER A 5 -25.495 -11.484 6.692 1.00 0.00 O ATOM 41 CB SER A 5 -26.290 -8.807 5.140 1.00 0.00 C ATOM 42 OG SER A 5 -25.500 -8.611 3.980 1.00 0.00 O ATOM 0 H SER A 5 -27.741 -10.830 6.988 1.00 0.00 H new ATOM 0 HA SER A 5 -27.270 -10.469 4.196 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.100 -8.078 5.159 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.685 -8.634 6.030 1.00 0.00 H new ATOM 0 HG SER A 5 -25.143 -7.698 3.978 1.00 0.00 H new ATOM 48 N SER A 6 -25.147 -11.784 4.490 1.00 0.00 N ATOM 49 CA SER A 6 -24.081 -12.760 4.679 1.00 0.00 C ATOM 50 C SER A 6 -23.170 -12.814 3.456 1.00 0.00 C ATOM 51 O SER A 6 -23.585 -12.492 2.344 1.00 0.00 O ATOM 52 CB SER A 6 -24.671 -14.145 4.951 1.00 0.00 C ATOM 53 OG SER A 6 -25.507 -14.561 3.885 1.00 0.00 O ATOM 0 H SER A 6 -25.362 -11.578 3.514 1.00 0.00 H new ATOM 0 HA SER A 6 -23.487 -12.450 5.539 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.865 -14.866 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.242 -14.125 5.879 1.00 0.00 H new ATOM 0 HG SER A 6 -25.870 -15.450 4.082 1.00 0.00 H new ATOM 59 N GLY A 7 -21.923 -13.224 3.672 1.00 0.00 N ATOM 60 CA GLY A 7 -20.972 -13.313 2.580 1.00 0.00 C ATOM 61 C GLY A 7 -19.751 -14.135 2.940 1.00 0.00 C ATOM 62 O GLY A 7 -19.734 -15.351 2.751 1.00 0.00 O ATOM 0 H GLY A 7 -21.555 -13.496 4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.461 -13.755 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.659 -12.309 2.293 1.00 0.00 H new ATOM 66 N ASN A 8 -18.724 -13.470 3.460 1.00 0.00 N ATOM 67 CA ASN A 8 -17.491 -14.147 3.846 1.00 0.00 C ATOM 68 C ASN A 8 -16.826 -14.797 2.637 1.00 0.00 C ATOM 69 O ASN A 8 -16.406 -15.954 2.692 1.00 0.00 O ATOM 70 CB ASN A 8 -17.778 -15.205 4.914 1.00 0.00 C ATOM 71 CG ASN A 8 -18.220 -14.593 6.229 1.00 0.00 C ATOM 72 OD1 ASN A 8 -19.294 -13.998 6.321 1.00 0.00 O ATOM 73 ND2 ASN A 8 -17.390 -14.738 7.256 1.00 0.00 N ATOM 0 H ASN A 8 -18.721 -12.463 3.624 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.810 -13.401 4.256 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -18.552 -15.882 4.553 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.882 -15.804 5.078 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.633 -14.348 8.167 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.510 -15.239 7.134 1.00 0.00 H new ATOM 80 N LEU A 9 -16.733 -14.046 1.545 1.00 0.00 N ATOM 81 CA LEU A 9 -16.118 -14.548 0.321 1.00 0.00 C ATOM 82 C LEU A 9 -15.475 -13.413 -0.470 1.00 0.00 C ATOM 83 O LEU A 9 -16.090 -12.368 -0.686 1.00 0.00 O ATOM 84 CB LEU A 9 -17.161 -15.260 -0.542 1.00 0.00 C ATOM 85 CG LEU A 9 -16.716 -15.640 -1.955 1.00 0.00 C ATOM 86 CD1 LEU A 9 -15.901 -16.923 -1.930 1.00 0.00 C ATOM 87 CD2 LEU A 9 -17.922 -15.790 -2.871 1.00 0.00 C ATOM 0 H LEU A 9 -17.076 -13.087 1.482 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.340 -15.259 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -17.474 -16.167 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -18.039 -14.618 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.086 -14.841 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.593 -17.178 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.018 -16.781 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.507 -17.731 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -17.587 -16.061 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -18.578 -16.570 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -18.466 -14.847 -2.913 1.00 0.00 H new ATOM 99 N ASP A 10 -14.237 -13.627 -0.901 1.00 0.00 N ATOM 100 CA ASP A 10 -13.512 -12.623 -1.672 1.00 0.00 C ATOM 101 C ASP A 10 -13.165 -13.151 -3.061 1.00 0.00 C ATOM 102 O ASP A 10 -12.265 -13.975 -3.215 1.00 0.00 O ATOM 103 CB ASP A 10 -12.236 -12.209 -0.937 1.00 0.00 C ATOM 104 CG ASP A 10 -12.464 -12.004 0.548 1.00 0.00 C ATOM 105 OD1 ASP A 10 -12.441 -13.004 1.295 1.00 0.00 O ATOM 106 OD2 ASP A 10 -12.666 -10.843 0.962 1.00 0.00 O ATOM 0 H ASP A 10 -13.714 -14.486 -0.730 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.157 -11.751 -1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.472 -12.973 -1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.852 -11.287 -1.373 1.00 0.00 H new ATOM 111 N ALA A 11 -13.887 -12.669 -4.068 1.00 0.00 N ATOM 112 CA ALA A 11 -13.655 -13.092 -5.444 1.00 0.00 C ATOM 113 C ALA A 11 -12.690 -12.147 -6.153 1.00 0.00 C ATOM 114 O ALA A 11 -11.889 -12.572 -6.985 1.00 0.00 O ATOM 115 CB ALA A 11 -14.973 -13.170 -6.201 1.00 0.00 C ATOM 0 H ALA A 11 -14.637 -11.986 -3.957 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.202 -14.083 -5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.785 -13.487 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.631 -13.890 -5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -15.449 -12.189 -6.206 1.00 0.00 H new ATOM 121 N LEU A 12 -12.773 -10.864 -5.818 1.00 0.00 N ATOM 122 CA LEU A 12 -11.908 -9.858 -6.424 1.00 0.00 C ATOM 123 C LEU A 12 -10.455 -10.324 -6.433 1.00 0.00 C ATOM 124 O LEU A 12 -10.048 -11.135 -5.601 1.00 0.00 O ATOM 125 CB LEU A 12 -12.026 -8.533 -5.668 1.00 0.00 C ATOM 126 CG LEU A 12 -13.085 -7.558 -6.184 1.00 0.00 C ATOM 127 CD1 LEU A 12 -12.834 -7.222 -7.646 1.00 0.00 C ATOM 128 CD2 LEU A 12 -14.479 -8.139 -6.000 1.00 0.00 C ATOM 0 H LEU A 12 -13.430 -10.496 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.230 -9.711 -7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.242 -8.752 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.057 -8.034 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.017 -6.637 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.597 -6.527 -7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.851 -6.763 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.874 -8.134 -8.241 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.220 -7.432 -6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.559 -9.074 -6.554 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.658 -8.328 -4.941 1.00 0.00 H new ATOM 140 N ARG A 13 -9.678 -9.803 -7.377 1.00 0.00 N ATOM 141 CA ARG A 13 -8.270 -10.165 -7.493 1.00 0.00 C ATOM 142 C ARG A 13 -7.374 -8.979 -7.150 1.00 0.00 C ATOM 143 O ARG A 13 -6.159 -9.125 -7.018 1.00 0.00 O ATOM 144 CB ARG A 13 -7.964 -10.658 -8.909 1.00 0.00 C ATOM 145 CG ARG A 13 -8.284 -9.639 -9.990 1.00 0.00 C ATOM 146 CD ARG A 13 -9.671 -9.864 -10.573 1.00 0.00 C ATOM 147 NE ARG A 13 -9.874 -9.109 -11.807 1.00 0.00 N ATOM 148 CZ ARG A 13 -11.000 -9.143 -12.512 1.00 0.00 C ATOM 149 NH1 ARG A 13 -12.017 -9.891 -12.107 1.00 0.00 N ATOM 150 NH2 ARG A 13 -11.109 -8.429 -13.625 1.00 0.00 N ATOM 0 H ARG A 13 -9.999 -9.129 -8.072 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.067 -10.968 -6.784 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.909 -10.923 -8.972 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.533 -11.568 -9.099 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.221 -8.633 -9.574 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.540 -9.703 -10.784 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.814 -10.926 -10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.424 -9.572 -9.841 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.110 -8.524 -12.146 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.936 -10.442 -11.252 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.880 -9.915 -12.650 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.328 -7.853 -13.940 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.974 -8.456 -14.165 1.00 0.00 H new ATOM 164 N GLU A 14 -7.982 -7.805 -7.008 1.00 0.00 N ATOM 165 CA GLU A 14 -7.238 -6.595 -6.682 1.00 0.00 C ATOM 166 C GLU A 14 -6.853 -6.574 -5.206 1.00 0.00 C ATOM 167 O GLU A 14 -7.444 -7.279 -4.388 1.00 0.00 O ATOM 168 CB GLU A 14 -8.066 -5.353 -7.022 1.00 0.00 C ATOM 169 CG GLU A 14 -7.928 -4.907 -8.468 1.00 0.00 C ATOM 170 CD GLU A 14 -8.520 -5.903 -9.445 1.00 0.00 C ATOM 171 OE1 GLU A 14 -9.699 -6.278 -9.269 1.00 0.00 O ATOM 172 OE2 GLU A 14 -7.806 -6.308 -10.386 1.00 0.00 O ATOM 0 H GLU A 14 -8.987 -7.667 -7.114 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.325 -6.589 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.116 -5.558 -6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.764 -4.535 -6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.420 -3.943 -8.595 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.873 -4.760 -8.700 1.00 0.00 H new ATOM 179 N VAL A 15 -5.857 -5.759 -4.872 1.00 0.00 N ATOM 180 CA VAL A 15 -5.392 -5.645 -3.494 1.00 0.00 C ATOM 181 C VAL A 15 -6.030 -4.449 -2.796 1.00 0.00 C ATOM 182 O VAL A 15 -5.422 -3.829 -1.923 1.00 0.00 O ATOM 183 CB VAL A 15 -3.860 -5.506 -3.429 1.00 0.00 C ATOM 184 CG1 VAL A 15 -3.186 -6.720 -4.052 1.00 0.00 C ATOM 185 CG2 VAL A 15 -3.411 -4.226 -4.117 1.00 0.00 C ATOM 0 H VAL A 15 -5.357 -5.168 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.688 -6.561 -2.983 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.562 -5.452 -2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.104 -6.604 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.482 -7.618 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.489 -6.809 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.325 -4.144 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.720 -4.247 -5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.865 -3.368 -3.621 1.00 0.00 H new ATOM 195 N LEU A 16 -7.259 -4.129 -3.187 1.00 0.00 N ATOM 196 CA LEU A 16 -7.981 -3.007 -2.598 1.00 0.00 C ATOM 197 C LEU A 16 -7.772 -2.957 -1.088 1.00 0.00 C ATOM 198 O LEU A 16 -7.899 -1.901 -0.470 1.00 0.00 O ATOM 199 CB LEU A 16 -9.474 -3.113 -2.915 1.00 0.00 C ATOM 200 CG LEU A 16 -9.837 -3.259 -4.393 1.00 0.00 C ATOM 201 CD1 LEU A 16 -11.274 -3.732 -4.546 1.00 0.00 C ATOM 202 CD2 LEU A 16 -9.627 -1.942 -5.127 1.00 0.00 C ATOM 0 H LEU A 16 -7.776 -4.631 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.588 -2.087 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.880 -3.969 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.972 -2.225 -2.525 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.180 -4.008 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.514 -3.830 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.393 -4.698 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.946 -3.007 -4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.890 -2.065 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.258 -1.173 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.582 -1.644 -5.048 1.00 0.00 H new ATOM 214 N GLU A 17 -7.450 -4.106 -0.502 1.00 0.00 N ATOM 215 CA GLU A 17 -7.223 -4.192 0.936 1.00 0.00 C ATOM 216 C GLU A 17 -5.745 -4.415 1.240 1.00 0.00 C ATOM 217 O GLU A 17 -5.095 -5.267 0.633 1.00 0.00 O ATOM 218 CB GLU A 17 -8.056 -5.324 1.540 1.00 0.00 C ATOM 219 CG GLU A 17 -9.423 -4.879 2.031 1.00 0.00 C ATOM 220 CD GLU A 17 -10.463 -5.979 1.936 1.00 0.00 C ATOM 221 OE1 GLU A 17 -10.420 -6.909 2.769 1.00 0.00 O ATOM 222 OE2 GLU A 17 -11.320 -5.910 1.031 1.00 0.00 O ATOM 0 H GLU A 17 -7.341 -4.989 -1.000 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.530 -3.247 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.185 -6.107 0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.506 -5.764 2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.343 -4.548 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.753 -4.020 1.446 1.00 0.00 H new ATOM 229 N CYS A 18 -5.218 -3.643 2.185 1.00 0.00 N ATOM 230 CA CYS A 18 -3.817 -3.754 2.571 1.00 0.00 C ATOM 231 C CYS A 18 -3.439 -5.208 2.835 1.00 0.00 C ATOM 232 O CYS A 18 -4.171 -5.959 3.480 1.00 0.00 O ATOM 233 CB CYS A 18 -3.541 -2.909 3.817 1.00 0.00 C ATOM 234 SG CYS A 18 -1.813 -2.971 4.389 1.00 0.00 S ATOM 0 H CYS A 18 -5.741 -2.933 2.698 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.208 -3.383 1.746 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.806 -1.873 3.606 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.192 -3.247 4.623 1.00 0.00 H new ATOM 239 N PRO A 19 -2.267 -5.617 2.326 1.00 0.00 N ATOM 240 CA PRO A 19 -1.764 -6.983 2.494 1.00 0.00 C ATOM 241 C PRO A 19 -1.352 -7.277 3.932 1.00 0.00 C ATOM 242 O PRO A 19 -0.887 -8.374 4.243 1.00 0.00 O ATOM 243 CB PRO A 19 -0.545 -7.029 1.569 1.00 0.00 C ATOM 244 CG PRO A 19 -0.096 -5.612 1.464 1.00 0.00 C ATOM 245 CD PRO A 19 -1.343 -4.776 1.547 1.00 0.00 C ATOM 0 HA PRO A 19 -2.524 -7.728 2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.240 -7.664 1.980 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.805 -7.436 0.592 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.596 -5.361 2.268 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.429 -5.437 0.525 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.155 -3.822 2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.742 -4.550 0.558 1.00 0.00 H new ATOM 253 N ILE A 20 -1.527 -6.290 4.805 1.00 0.00 N ATOM 254 CA ILE A 20 -1.174 -6.445 6.211 1.00 0.00 C ATOM 255 C ILE A 20 -2.412 -6.370 7.100 1.00 0.00 C ATOM 256 O ILE A 20 -2.883 -7.385 7.613 1.00 0.00 O ATOM 257 CB ILE A 20 -0.168 -5.369 6.661 1.00 0.00 C ATOM 258 CG1 ILE A 20 1.079 -5.404 5.775 1.00 0.00 C ATOM 259 CG2 ILE A 20 0.207 -5.572 8.121 1.00 0.00 C ATOM 260 CD1 ILE A 20 2.182 -4.482 6.248 1.00 0.00 C ATOM 0 H ILE A 20 -1.910 -5.376 4.564 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.714 -7.428 6.314 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.636 -4.390 6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.460 -6.424 5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.800 -5.131 4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.919 -4.804 8.424 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.688 -5.502 8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.659 -6.556 8.247 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.035 -4.558 5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.818 -3.455 6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.489 -4.768 7.254 1.00 0.00 H new ATOM 272 N CYS A 21 -2.936 -5.162 7.275 1.00 0.00 N ATOM 273 CA CYS A 21 -4.120 -4.953 8.099 1.00 0.00 C ATOM 274 C CYS A 21 -5.376 -5.431 7.378 1.00 0.00 C ATOM 275 O CYS A 21 -6.382 -5.753 8.009 1.00 0.00 O ATOM 276 CB CYS A 21 -4.259 -3.474 8.464 1.00 0.00 C ATOM 277 SG CYS A 21 -4.161 -2.344 7.038 1.00 0.00 S ATOM 0 H CYS A 21 -2.559 -4.312 6.857 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.003 -5.536 9.013 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.213 -3.323 8.968 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.477 -3.211 9.176 1.00 0.00 H new ATOM 282 N MET A 22 -5.310 -5.474 6.051 1.00 0.00 N ATOM 283 CA MET A 22 -6.441 -5.914 5.243 1.00 0.00 C ATOM 284 C MET A 22 -7.634 -4.980 5.425 1.00 0.00 C ATOM 285 O MET A 22 -8.766 -5.432 5.598 1.00 0.00 O ATOM 286 CB MET A 22 -6.837 -7.344 5.616 1.00 0.00 C ATOM 287 CG MET A 22 -5.845 -8.392 5.139 1.00 0.00 C ATOM 288 SD MET A 22 -6.227 -9.009 3.488 1.00 0.00 S ATOM 289 CE MET A 22 -4.624 -8.879 2.699 1.00 0.00 C ATOM 0 H MET A 22 -4.485 -5.209 5.513 1.00 0.00 H new ATOM 0 HA MET A 22 -6.139 -5.890 4.196 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.935 -7.415 6.699 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.817 -7.563 5.192 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.842 -7.965 5.140 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.837 -9.225 5.841 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.615 -8.016 2.033 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.853 -8.758 3.460 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.427 -9.784 2.124 1.00 0.00 H new ATOM 299 N GLU A 23 -7.373 -3.678 5.383 1.00 0.00 N ATOM 300 CA GLU A 23 -8.426 -2.682 5.544 1.00 0.00 C ATOM 301 C GLU A 23 -8.604 -1.866 4.267 1.00 0.00 C ATOM 302 O GLU A 23 -7.651 -1.276 3.757 1.00 0.00 O ATOM 303 CB GLU A 23 -8.104 -1.752 6.716 1.00 0.00 C ATOM 304 CG GLU A 23 -8.633 -2.249 8.051 1.00 0.00 C ATOM 305 CD GLU A 23 -8.833 -1.129 9.053 1.00 0.00 C ATOM 306 OE1 GLU A 23 -7.852 -0.412 9.344 1.00 0.00 O ATOM 307 OE2 GLU A 23 -9.969 -0.969 9.546 1.00 0.00 O ATOM 0 H GLU A 23 -6.442 -3.288 5.239 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.358 -3.207 5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.023 -1.630 6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.523 -0.767 6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.581 -2.764 7.893 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.938 -2.980 8.463 1.00 0.00 H new ATOM 314 N SER A 24 -9.830 -1.839 3.755 1.00 0.00 N ATOM 315 CA SER A 24 -10.133 -1.100 2.535 1.00 0.00 C ATOM 316 C SER A 24 -9.343 0.204 2.480 1.00 0.00 C ATOM 317 O SER A 24 -9.329 0.976 3.439 1.00 0.00 O ATOM 318 CB SER A 24 -11.632 -0.805 2.451 1.00 0.00 C ATOM 319 OG SER A 24 -11.897 0.225 1.515 1.00 0.00 O ATOM 0 H SER A 24 -10.630 -2.320 4.166 1.00 0.00 H new ATOM 0 HA SER A 24 -9.843 -1.717 1.684 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.168 -1.709 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.004 -0.513 3.433 1.00 0.00 H new ATOM 0 HG SER A 24 -12.862 0.394 1.479 1.00 0.00 H new ATOM 325 N PHE A 25 -8.686 0.443 1.350 1.00 0.00 N ATOM 326 CA PHE A 25 -7.892 1.653 1.168 1.00 0.00 C ATOM 327 C PHE A 25 -8.790 2.882 1.062 1.00 0.00 C ATOM 328 O PHE A 25 -9.381 3.146 0.014 1.00 0.00 O ATOM 329 CB PHE A 25 -7.021 1.534 -0.084 1.00 0.00 C ATOM 330 CG PHE A 25 -5.850 0.609 0.085 1.00 0.00 C ATOM 331 CD1 PHE A 25 -5.027 0.709 1.196 1.00 0.00 C ATOM 332 CD2 PHE A 25 -5.572 -0.360 -0.865 1.00 0.00 C ATOM 333 CE1 PHE A 25 -3.948 -0.140 1.354 1.00 0.00 C ATOM 334 CE2 PHE A 25 -4.495 -1.212 -0.712 1.00 0.00 C ATOM 335 CZ PHE A 25 -3.682 -1.102 0.400 1.00 0.00 C ATOM 0 H PHE A 25 -8.688 -0.185 0.546 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.248 1.769 2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.636 1.181 -0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.655 2.524 -0.358 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.231 1.459 1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.205 -0.451 -1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.313 -0.051 2.223 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.289 -1.963 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.840 -1.767 0.523 1.00 0.00 H new ATOM 345 N THR A 26 -8.890 3.631 2.156 1.00 0.00 N ATOM 346 CA THR A 26 -9.717 4.831 2.188 1.00 0.00 C ATOM 347 C THR A 26 -8.962 6.034 1.633 1.00 0.00 C ATOM 348 O THR A 26 -7.844 5.901 1.136 1.00 0.00 O ATOM 349 CB THR A 26 -10.188 5.150 3.619 1.00 0.00 C ATOM 350 OG1 THR A 26 -9.077 5.572 4.418 1.00 0.00 O ATOM 351 CG2 THR A 26 -10.845 3.936 4.257 1.00 0.00 C ATOM 0 H THR A 26 -8.408 3.427 3.032 1.00 0.00 H new ATOM 0 HA THR A 26 -10.587 4.632 1.563 1.00 0.00 H new ATOM 0 HB THR A 26 -10.922 5.954 3.564 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.255 5.525 3.886 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.169 4.186 5.267 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.708 3.635 3.663 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.129 3.115 4.299 1.00 0.00 H new ATOM 359 N GLU A 27 -9.581 7.207 1.722 1.00 0.00 N ATOM 360 CA GLU A 27 -8.965 8.433 1.228 1.00 0.00 C ATOM 361 C GLU A 27 -8.239 9.168 2.351 1.00 0.00 C ATOM 362 O GLU A 27 -7.018 9.317 2.320 1.00 0.00 O ATOM 363 CB GLU A 27 -10.024 9.347 0.607 1.00 0.00 C ATOM 364 CG GLU A 27 -10.560 8.841 -0.722 1.00 0.00 C ATOM 365 CD GLU A 27 -9.537 8.937 -1.838 1.00 0.00 C ATOM 366 OE1 GLU A 27 -8.848 9.974 -1.925 1.00 0.00 O ATOM 367 OE2 GLU A 27 -9.426 7.972 -2.624 1.00 0.00 O ATOM 0 H GLU A 27 -10.507 7.334 2.131 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.236 8.161 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.853 9.456 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.596 10.339 0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.875 7.803 -0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.445 9.415 -0.995 1.00 0.00 H new ATOM 374 N GLU A 28 -9.001 9.627 3.340 1.00 0.00 N ATOM 375 CA GLU A 28 -8.430 10.347 4.471 1.00 0.00 C ATOM 376 C GLU A 28 -7.935 9.378 5.540 1.00 0.00 C ATOM 377 O GLU A 28 -7.982 9.677 6.733 1.00 0.00 O ATOM 378 CB GLU A 28 -9.465 11.301 5.072 1.00 0.00 C ATOM 379 CG GLU A 28 -10.718 10.602 5.573 1.00 0.00 C ATOM 380 CD GLU A 28 -10.610 10.183 7.026 1.00 0.00 C ATOM 381 OE1 GLU A 28 -10.237 11.033 7.862 1.00 0.00 O ATOM 382 OE2 GLU A 28 -10.899 9.006 7.328 1.00 0.00 O ATOM 0 H GLU A 28 -10.014 9.513 3.380 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.580 10.925 4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.008 11.846 5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.746 12.039 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.573 11.267 5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.909 9.722 4.958 1.00 0.00 H new ATOM 389 N GLN A 29 -7.461 8.215 5.103 1.00 0.00 N ATOM 390 CA GLN A 29 -6.959 7.201 6.022 1.00 0.00 C ATOM 391 C GLN A 29 -6.410 5.999 5.260 1.00 0.00 C ATOM 392 O GLN A 29 -6.690 5.823 4.074 1.00 0.00 O ATOM 393 CB GLN A 29 -8.068 6.753 6.976 1.00 0.00 C ATOM 394 CG GLN A 29 -7.566 6.389 8.364 1.00 0.00 C ATOM 395 CD GLN A 29 -7.314 7.607 9.231 1.00 0.00 C ATOM 396 OE1 GLN A 29 -8.199 8.062 9.956 1.00 0.00 O ATOM 397 NE2 GLN A 29 -6.101 8.144 9.160 1.00 0.00 N ATOM 0 H GLN A 29 -7.414 7.952 4.119 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.148 7.642 6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.805 7.551 7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.580 5.892 6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.296 5.744 8.853 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.644 5.815 8.274 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.397 7.735 8.546 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.873 8.966 9.720 1.00 0.00 H new ATOM 406 N LEU A 30 -5.627 5.176 5.948 1.00 0.00 N ATOM 407 CA LEU A 30 -5.039 3.990 5.336 1.00 0.00 C ATOM 408 C LEU A 30 -4.733 4.233 3.862 1.00 0.00 C ATOM 409 O LEU A 30 -4.977 3.371 3.017 1.00 0.00 O ATOM 410 CB LEU A 30 -5.982 2.795 5.483 1.00 0.00 C ATOM 411 CG LEU A 30 -6.500 2.517 6.894 1.00 0.00 C ATOM 412 CD1 LEU A 30 -7.620 1.489 6.860 1.00 0.00 C ATOM 413 CD2 LEU A 30 -5.368 2.045 7.795 1.00 0.00 C ATOM 0 H LEU A 30 -5.385 5.308 6.930 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.103 3.772 5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.839 2.951 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.465 1.904 5.125 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.900 3.445 7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.975 1.305 7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.441 1.866 6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.247 0.559 6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.756 1.852 8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.938 1.129 7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.599 2.815 7.846 1.00 0.00 H new ATOM 425 N ARG A 31 -4.195 5.410 3.561 1.00 0.00 N ATOM 426 CA ARG A 31 -3.854 5.766 2.189 1.00 0.00 C ATOM 427 C ARG A 31 -2.948 4.710 1.562 1.00 0.00 C ATOM 428 O ARG A 31 -1.918 4.332 2.119 1.00 0.00 O ATOM 429 CB ARG A 31 -3.166 7.132 2.149 1.00 0.00 C ATOM 430 CG ARG A 31 -4.120 8.300 2.342 1.00 0.00 C ATOM 431 CD ARG A 31 -3.462 9.622 1.980 1.00 0.00 C ATOM 432 NE ARG A 31 -2.352 9.944 2.873 1.00 0.00 N ATOM 433 CZ ARG A 31 -1.867 11.170 3.031 1.00 0.00 C ATOM 434 NH1 ARG A 31 -2.392 12.186 2.360 1.00 0.00 N ATOM 435 NH2 ARG A 31 -0.855 11.383 3.863 1.00 0.00 N ATOM 0 H ARG A 31 -3.986 6.134 4.249 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.778 5.815 1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.401 7.167 2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.656 7.245 1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.007 8.153 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.454 8.331 3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.100 9.577 0.953 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.204 10.420 2.022 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.926 9.185 3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.171 12.027 1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.017 13.127 2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.449 10.604 4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.483 12.325 3.983 1.00 0.00 H new ATOM 449 N PRO A 32 -3.340 4.223 0.376 1.00 0.00 N ATOM 450 CA PRO A 32 -2.578 3.204 -0.352 1.00 0.00 C ATOM 451 C PRO A 32 -1.262 3.746 -0.899 1.00 0.00 C ATOM 452 O PRO A 32 -1.250 4.656 -1.729 1.00 0.00 O ATOM 453 CB PRO A 32 -3.513 2.813 -1.499 1.00 0.00 C ATOM 454 CG PRO A 32 -4.381 4.007 -1.704 1.00 0.00 C ATOM 455 CD PRO A 32 -4.558 4.628 -0.346 1.00 0.00 C ATOM 0 HA PRO A 32 -2.297 2.369 0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.952 2.571 -2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.104 1.933 -1.246 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.920 4.710 -2.398 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.342 3.722 -2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.646 5.713 -0.409 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.458 4.263 0.148 1.00 0.00 H new ATOM 463 N LYS A 33 -0.154 3.181 -0.431 1.00 0.00 N ATOM 464 CA LYS A 33 1.168 3.606 -0.874 1.00 0.00 C ATOM 465 C LYS A 33 1.896 2.468 -1.583 1.00 0.00 C ATOM 466 O LYS A 33 1.863 1.322 -1.134 1.00 0.00 O ATOM 467 CB LYS A 33 1.997 4.091 0.318 1.00 0.00 C ATOM 468 CG LYS A 33 1.249 5.049 1.229 1.00 0.00 C ATOM 469 CD LYS A 33 0.838 6.313 0.492 1.00 0.00 C ATOM 470 CE LYS A 33 1.870 7.418 0.663 1.00 0.00 C ATOM 471 NZ LYS A 33 1.910 8.326 -0.517 1.00 0.00 N ATOM 0 H LYS A 33 -0.146 2.427 0.256 1.00 0.00 H new ATOM 0 HA LYS A 33 1.041 4.428 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.321 3.228 0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.897 4.582 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.363 4.555 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.879 5.311 2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.711 6.093 -0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.128 6.655 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.639 7.995 1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.855 6.975 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.846 8.269 -0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.179 8.041 -1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.734 9.304 -0.209 1.00 0.00 H new ATOM 485 N LEU A 34 2.553 2.792 -2.691 1.00 0.00 N ATOM 486 CA LEU A 34 3.291 1.797 -3.461 1.00 0.00 C ATOM 487 C LEU A 34 4.791 1.918 -3.212 1.00 0.00 C ATOM 488 O LEU A 34 5.376 2.989 -3.384 1.00 0.00 O ATOM 489 CB LEU A 34 2.996 1.958 -4.954 1.00 0.00 C ATOM 490 CG LEU A 34 3.133 0.695 -5.805 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.597 -0.515 -5.055 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.409 0.865 -7.133 1.00 0.00 C ATOM 0 H LEU A 34 2.590 3.736 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 34 2.966 0.808 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.980 2.338 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.666 2.718 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 34 4.191 0.531 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.703 -1.404 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.159 -0.649 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.544 -0.360 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.517 -0.044 -7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.351 1.054 -6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.839 1.706 -7.677 1.00 0.00 H new ATOM 504 N LEU A 35 5.409 0.813 -2.809 1.00 0.00 N ATOM 505 CA LEU A 35 6.843 0.794 -2.539 1.00 0.00 C ATOM 506 C LEU A 35 7.638 0.608 -3.827 1.00 0.00 C ATOM 507 O LEU A 35 7.095 0.183 -4.848 1.00 0.00 O ATOM 508 CB LEU A 35 7.180 -0.324 -1.551 1.00 0.00 C ATOM 509 CG LEU A 35 6.607 -0.172 -0.142 1.00 0.00 C ATOM 510 CD1 LEU A 35 6.953 -1.384 0.709 1.00 0.00 C ATOM 511 CD2 LEU A 35 7.124 1.103 0.508 1.00 0.00 C ATOM 0 H LEU A 35 4.940 -0.081 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 35 7.118 1.753 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.825 -1.267 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.265 -0.398 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 35 5.522 -0.105 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.537 -1.258 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.534 -2.281 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.036 -1.483 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.706 1.196 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.212 1.065 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.825 1.964 -0.091 1.00 0.00 H new ATOM 523 N HIS A 36 8.927 0.928 -3.772 1.00 0.00 N ATOM 524 CA HIS A 36 9.798 0.794 -4.935 1.00 0.00 C ATOM 525 C HIS A 36 9.851 -0.656 -5.409 1.00 0.00 C ATOM 526 O HIS A 36 10.393 -0.952 -6.474 1.00 0.00 O ATOM 527 CB HIS A 36 11.206 1.286 -4.602 1.00 0.00 C ATOM 528 CG HIS A 36 11.280 2.759 -4.339 1.00 0.00 C ATOM 529 ND1 HIS A 36 10.307 3.658 -4.062 1.00 0.00 N flip ATOM 530 CD2 HIS A 36 12.463 3.466 -4.344 1.00 0.00 C flip ATOM 531 CE1 HIS A 36 10.914 4.880 -3.906 1.00 0.00 C flip ATOM 532 NE2 HIS A 36 12.215 4.737 -4.081 1.00 0.00 N flip ATOM 0 H HIS A 36 9.391 1.282 -2.936 1.00 0.00 H new ATOM 0 HA HIS A 36 9.388 1.406 -5.739 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.571 0.750 -3.726 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.873 1.039 -5.428 1.00 0.00 H new ATOM 0 HD2 HIS A 36 13.440 3.047 -4.533 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.409 5.807 -3.677 1.00 0.00 H new ATOM 0 HE2 HIS A 36 12.910 5.481 -4.023 1.00 0.00 H new ATOM 540 N CYS A 37 9.286 -1.555 -4.610 1.00 0.00 N ATOM 541 CA CYS A 37 9.270 -2.974 -4.947 1.00 0.00 C ATOM 542 C CYS A 37 8.046 -3.319 -5.790 1.00 0.00 C ATOM 543 O CYS A 37 8.152 -4.007 -6.804 1.00 0.00 O ATOM 544 CB CYS A 37 9.282 -3.821 -3.673 1.00 0.00 C ATOM 545 SG CYS A 37 7.845 -3.549 -2.586 1.00 0.00 S ATOM 0 H CYS A 37 8.833 -1.326 -3.725 1.00 0.00 H new ATOM 0 HA CYS A 37 10.164 -3.194 -5.530 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.320 -4.874 -3.950 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.193 -3.605 -3.114 1.00 0.00 H new ATOM 550 N GLY A 38 6.884 -2.835 -5.362 1.00 0.00 N ATOM 551 CA GLY A 38 5.656 -3.103 -6.088 1.00 0.00 C ATOM 552 C GLY A 38 4.485 -3.376 -5.166 1.00 0.00 C ATOM 553 O GLY A 38 3.334 -3.112 -5.517 1.00 0.00 O ATOM 0 H GLY A 38 6.771 -2.262 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.421 -2.251 -6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.805 -3.960 -6.744 1.00 0.00 H new ATOM 557 N HIS A 39 4.776 -3.909 -3.983 1.00 0.00 N ATOM 558 CA HIS A 39 3.737 -4.219 -3.008 1.00 0.00 C ATOM 559 C HIS A 39 3.017 -2.952 -2.559 1.00 0.00 C ATOM 560 O HIS A 39 3.610 -1.874 -2.504 1.00 0.00 O ATOM 561 CB HIS A 39 4.341 -4.933 -1.798 1.00 0.00 C ATOM 562 CG HIS A 39 4.702 -6.362 -2.064 1.00 0.00 C ATOM 563 ND1 HIS A 39 5.898 -6.923 -1.668 1.00 0.00 N ATOM 564 CD2 HIS A 39 4.016 -7.347 -2.690 1.00 0.00 C ATOM 565 CE1 HIS A 39 5.932 -8.190 -2.040 1.00 0.00 C ATOM 566 NE2 HIS A 39 4.802 -8.473 -2.661 1.00 0.00 N ATOM 0 H HIS A 39 5.722 -4.135 -3.677 1.00 0.00 H new ATOM 0 HA HIS A 39 3.011 -4.878 -3.484 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.233 -4.395 -1.477 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.631 -4.894 -0.972 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.033 -7.263 -3.130 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.746 -8.878 -1.866 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.553 -9.380 -3.055 1.00 0.00 H new ATOM 574 N THR A 40 1.734 -3.088 -2.238 1.00 0.00 N ATOM 575 CA THR A 40 0.933 -1.954 -1.795 1.00 0.00 C ATOM 576 C THR A 40 0.557 -2.087 -0.324 1.00 0.00 C ATOM 577 O THR A 40 0.011 -3.107 0.097 1.00 0.00 O ATOM 578 CB THR A 40 -0.354 -1.815 -2.631 1.00 0.00 C ATOM 579 OG1 THR A 40 -0.023 -1.531 -3.995 1.00 0.00 O ATOM 580 CG2 THR A 40 -1.241 -0.709 -2.079 1.00 0.00 C ATOM 0 H THR A 40 1.228 -3.973 -2.277 1.00 0.00 H new ATOM 0 HA THR A 40 1.545 -1.062 -1.931 1.00 0.00 H new ATOM 0 HB THR A 40 -0.899 -2.757 -2.578 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.782 -1.089 -4.430 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.143 -0.630 -2.685 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.515 -0.942 -1.050 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.701 0.238 -2.106 1.00 0.00 H new ATOM 588 N ILE A 41 0.853 -1.050 0.454 1.00 0.00 N ATOM 589 CA ILE A 41 0.544 -1.052 1.878 1.00 0.00 C ATOM 590 C ILE A 41 -0.069 0.276 2.309 1.00 0.00 C ATOM 591 O ILE A 41 0.225 1.324 1.734 1.00 0.00 O ATOM 592 CB ILE A 41 1.801 -1.323 2.726 1.00 0.00 C ATOM 593 CG1 ILE A 41 2.485 -2.612 2.266 1.00 0.00 C ATOM 594 CG2 ILE A 41 1.436 -1.407 4.201 1.00 0.00 C ATOM 595 CD1 ILE A 41 3.821 -2.858 2.931 1.00 0.00 C ATOM 0 H ILE A 41 1.306 -0.199 0.122 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.176 -1.853 2.044 1.00 0.00 H new ATOM 0 HB ILE A 41 2.498 -0.496 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.826 -3.456 2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.628 -2.573 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.334 -1.599 4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.989 -0.465 4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.723 -2.217 4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.248 -3.789 2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.497 -2.033 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.683 -2.930 4.010 1.00 0.00 H new ATOM 607 N CYS A 42 -0.923 0.225 3.326 1.00 0.00 N ATOM 608 CA CYS A 42 -1.578 1.423 3.837 1.00 0.00 C ATOM 609 C CYS A 42 -0.599 2.279 4.635 1.00 0.00 C ATOM 610 O CYS A 42 0.168 1.767 5.451 1.00 0.00 O ATOM 611 CB CYS A 42 -2.772 1.042 4.713 1.00 0.00 C ATOM 612 SG CYS A 42 -2.315 0.291 6.309 1.00 0.00 S ATOM 0 H CYS A 42 -1.178 -0.634 3.813 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.932 2.005 2.986 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.370 1.934 4.901 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.404 0.345 4.163 1.00 0.00 H new ATOM 617 N ARG A 43 -0.632 3.586 4.395 1.00 0.00 N ATOM 618 CA ARG A 43 0.252 4.514 5.090 1.00 0.00 C ATOM 619 C ARG A 43 0.427 4.106 6.550 1.00 0.00 C ATOM 620 O ARG A 43 1.515 4.233 7.113 1.00 0.00 O ATOM 621 CB ARG A 43 -0.303 5.937 5.010 1.00 0.00 C ATOM 622 CG ARG A 43 -1.379 6.230 6.042 1.00 0.00 C ATOM 623 CD ARG A 43 -0.783 6.780 7.328 1.00 0.00 C ATOM 624 NE ARG A 43 -1.666 6.575 8.473 1.00 0.00 N ATOM 625 CZ ARG A 43 -1.653 7.341 9.558 1.00 0.00 C ATOM 626 NH1 ARG A 43 -0.807 8.357 9.646 1.00 0.00 N ATOM 627 NH2 ARG A 43 -2.489 7.091 10.558 1.00 0.00 N ATOM 0 H ARG A 43 -1.262 4.026 3.724 1.00 0.00 H new ATOM 0 HA ARG A 43 1.226 4.484 4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.516 6.645 5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.713 6.103 4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.091 6.948 5.634 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.935 5.318 6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.175 6.297 7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.585 7.845 7.209 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.329 5.801 8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.163 8.553 8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.799 8.943 10.480 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.142 6.310 10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.478 7.680 11.391 1.00 0.00 H new ATOM 641 N GLN A 44 -0.650 3.617 7.156 1.00 0.00 N ATOM 642 CA GLN A 44 -0.614 3.193 8.551 1.00 0.00 C ATOM 643 C GLN A 44 0.507 2.186 8.785 1.00 0.00 C ATOM 644 O GLN A 44 1.422 2.432 9.572 1.00 0.00 O ATOM 645 CB GLN A 44 -1.957 2.581 8.954 1.00 0.00 C ATOM 646 CG GLN A 44 -1.859 1.617 10.125 1.00 0.00 C ATOM 647 CD GLN A 44 -3.215 1.260 10.701 1.00 0.00 C ATOM 648 OE1 GLN A 44 -4.065 0.651 9.883 1.00 0.00 O flip ATOM 649 NE2 GLN A 44 -3.496 1.528 11.870 1.00 0.00 N flip ATOM 0 H GLN A 44 -1.557 3.505 6.704 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.423 4.072 9.167 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.650 3.382 9.211 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.380 2.057 8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.355 0.707 9.800 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.242 2.061 10.906 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.812 1.997 12.464 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.412 1.281 12.244 1.00 0.00 H new ATOM 658 N CYS A 45 0.430 1.052 8.097 1.00 0.00 N ATOM 659 CA CYS A 45 1.438 0.006 8.230 1.00 0.00 C ATOM 660 C CYS A 45 2.818 0.529 7.841 1.00 0.00 C ATOM 661 O CYS A 45 3.806 0.280 8.533 1.00 0.00 O ATOM 662 CB CYS A 45 1.072 -1.198 7.360 1.00 0.00 C ATOM 663 SG CYS A 45 -0.279 -2.218 8.033 1.00 0.00 S ATOM 0 H CYS A 45 -0.320 0.833 7.441 1.00 0.00 H new ATOM 0 HA CYS A 45 1.468 -0.305 9.274 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.787 -0.844 6.369 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.956 -1.823 7.233 1.00 0.00 H new ATOM 668 N LEU A 46 2.878 1.254 6.729 1.00 0.00 N ATOM 669 CA LEU A 46 4.136 1.812 6.247 1.00 0.00 C ATOM 670 C LEU A 46 4.750 2.747 7.284 1.00 0.00 C ATOM 671 O LEU A 46 5.970 2.805 7.436 1.00 0.00 O ATOM 672 CB LEU A 46 3.913 2.564 4.934 1.00 0.00 C ATOM 673 CG LEU A 46 5.173 3.054 4.219 1.00 0.00 C ATOM 674 CD1 LEU A 46 5.674 2.004 3.240 1.00 0.00 C ATOM 675 CD2 LEU A 46 4.901 4.368 3.501 1.00 0.00 C ATOM 0 H LEU A 46 2.070 1.469 6.145 1.00 0.00 H new ATOM 0 HA LEU A 46 4.828 0.988 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.364 1.913 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.276 3.425 5.135 1.00 0.00 H new ATOM 0 HG LEU A 46 5.949 3.224 4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.571 2.371 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.908 1.086 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.902 1.802 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.808 4.702 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.110 4.224 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.590 5.121 4.225 1.00 0.00 H new ATOM 687 N GLU A 47 3.896 3.475 7.996 1.00 0.00 N ATOM 688 CA GLU A 47 4.355 4.407 9.019 1.00 0.00 C ATOM 689 C GLU A 47 5.070 3.667 10.147 1.00 0.00 C ATOM 690 O GLU A 47 6.187 4.019 10.525 1.00 0.00 O ATOM 691 CB GLU A 47 3.176 5.202 9.583 1.00 0.00 C ATOM 692 CG GLU A 47 2.763 6.377 8.714 1.00 0.00 C ATOM 693 CD GLU A 47 3.733 7.539 8.803 1.00 0.00 C ATOM 694 OE1 GLU A 47 4.884 7.386 8.341 1.00 0.00 O ATOM 695 OE2 GLU A 47 3.343 8.599 9.333 1.00 0.00 O ATOM 0 H GLU A 47 2.883 3.437 7.883 1.00 0.00 H new ATOM 0 HA GLU A 47 5.060 5.097 8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.323 4.534 9.705 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.438 5.569 10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.689 6.049 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.770 6.714 9.013 1.00 0.00 H new ATOM 702 N LYS A 48 4.416 2.640 10.680 1.00 0.00 N ATOM 703 CA LYS A 48 4.987 1.849 11.764 1.00 0.00 C ATOM 704 C LYS A 48 6.410 1.414 11.429 1.00 0.00 C ATOM 705 O LYS A 48 7.268 1.332 12.308 1.00 0.00 O ATOM 706 CB LYS A 48 4.118 0.620 12.037 1.00 0.00 C ATOM 707 CG LYS A 48 3.040 0.857 13.081 1.00 0.00 C ATOM 708 CD LYS A 48 1.915 1.719 12.534 1.00 0.00 C ATOM 709 CE LYS A 48 0.622 1.503 13.306 1.00 0.00 C ATOM 710 NZ LYS A 48 -0.211 2.737 13.349 1.00 0.00 N ATOM 0 H LYS A 48 3.490 2.336 10.379 1.00 0.00 H new ATOM 0 HA LYS A 48 5.017 2.472 12.658 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.647 0.304 11.106 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.756 -0.200 12.366 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.638 -0.100 13.414 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.478 1.340 13.955 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.201 2.769 12.588 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.755 1.486 11.481 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.053 0.697 12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.855 1.186 14.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.192 2.486 13.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.164 3.384 14.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.188 3.204 12.420 1.00 0.00 H new ATOM 724 N LEU A 49 6.654 1.138 10.152 1.00 0.00 N ATOM 725 CA LEU A 49 7.975 0.713 9.701 1.00 0.00 C ATOM 726 C LEU A 49 8.902 1.912 9.524 1.00 0.00 C ATOM 727 O LEU A 49 10.002 1.946 10.078 1.00 0.00 O ATOM 728 CB LEU A 49 7.862 -0.057 8.384 1.00 0.00 C ATOM 729 CG LEU A 49 7.164 -1.415 8.458 1.00 0.00 C ATOM 730 CD1 LEU A 49 6.931 -1.973 7.063 1.00 0.00 C ATOM 731 CD2 LEU A 49 7.981 -2.389 9.294 1.00 0.00 C ATOM 0 H LEU A 49 5.955 1.201 9.412 1.00 0.00 H new ATOM 0 HA LEU A 49 8.399 0.059 10.463 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.327 0.566 7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.866 -0.208 7.987 1.00 0.00 H new ATOM 0 HG LEU A 49 6.195 -1.278 8.938 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.433 -2.940 7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.305 -1.285 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.888 -2.095 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.469 -3.351 9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.964 -2.521 8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.096 -1.995 10.304 1.00 0.00 H new ATOM 743 N LEU A 50 8.450 2.894 8.752 1.00 0.00 N ATOM 744 CA LEU A 50 9.238 4.096 8.504 1.00 0.00 C ATOM 745 C LEU A 50 9.723 4.709 9.814 1.00 0.00 C ATOM 746 O LEU A 50 10.896 5.057 9.952 1.00 0.00 O ATOM 747 CB LEU A 50 8.411 5.120 7.725 1.00 0.00 C ATOM 748 CG LEU A 50 9.195 6.056 6.805 1.00 0.00 C ATOM 749 CD1 LEU A 50 8.344 6.471 5.615 1.00 0.00 C ATOM 750 CD2 LEU A 50 9.675 7.279 7.572 1.00 0.00 C ATOM 0 H LEU A 50 7.542 2.881 8.287 1.00 0.00 H new ATOM 0 HA LEU A 50 10.108 3.814 7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.677 4.583 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.855 5.727 8.439 1.00 0.00 H new ATOM 0 HG LEU A 50 10.068 5.520 6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.919 7.137 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.050 5.586 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.452 6.988 5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.231 7.934 6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.816 7.816 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.322 6.964 8.391 1.00 0.00 H new ATOM 762 N ALA A 51 8.814 4.835 10.775 1.00 0.00 N ATOM 763 CA ALA A 51 9.150 5.402 12.075 1.00 0.00 C ATOM 764 C ALA A 51 10.540 4.963 12.522 1.00 0.00 C ATOM 765 O ALA A 51 11.450 5.782 12.645 1.00 0.00 O ATOM 766 CB ALA A 51 8.109 5.000 13.111 1.00 0.00 C ATOM 0 H ALA A 51 7.839 4.552 10.678 1.00 0.00 H new ATOM 0 HA ALA A 51 9.153 6.488 11.981 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.372 5.430 14.077 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.130 5.368 12.805 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.079 3.914 13.194 1.00 0.00 H new ATOM 772 N SER A 52 10.697 3.666 12.765 1.00 0.00 N ATOM 773 CA SER A 52 11.976 3.119 13.203 1.00 0.00 C ATOM 774 C SER A 52 13.019 3.221 12.094 1.00 0.00 C ATOM 775 O SER A 52 14.167 3.593 12.339 1.00 0.00 O ATOM 776 CB SER A 52 11.811 1.659 13.630 1.00 0.00 C ATOM 777 OG SER A 52 10.826 1.532 14.641 1.00 0.00 O ATOM 0 H SER A 52 9.954 2.974 12.666 1.00 0.00 H new ATOM 0 HA SER A 52 12.320 3.703 14.056 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.532 1.054 12.768 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.763 1.274 13.995 1.00 0.00 H new ATOM 0 HG SER A 52 10.738 0.590 14.895 1.00 0.00 H new ATOM 783 N SER A 53 12.610 2.889 10.874 1.00 0.00 N ATOM 784 CA SER A 53 13.509 2.939 9.726 1.00 0.00 C ATOM 785 C SER A 53 14.019 4.359 9.498 1.00 0.00 C ATOM 786 O SER A 53 13.345 5.334 9.832 1.00 0.00 O ATOM 787 CB SER A 53 12.797 2.433 8.471 1.00 0.00 C ATOM 788 OG SER A 53 12.529 1.044 8.562 1.00 0.00 O ATOM 0 H SER A 53 11.662 2.582 10.654 1.00 0.00 H new ATOM 0 HA SER A 53 14.362 2.294 9.935 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.863 2.979 8.334 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.414 2.631 7.594 1.00 0.00 H new ATOM 0 HG SER A 53 11.681 0.905 9.033 1.00 0.00 H new ATOM 794 N ILE A 54 15.214 4.467 8.926 1.00 0.00 N ATOM 795 CA ILE A 54 15.814 5.766 8.651 1.00 0.00 C ATOM 796 C ILE A 54 16.357 5.831 7.228 1.00 0.00 C ATOM 797 O ILE A 54 16.213 6.843 6.544 1.00 0.00 O ATOM 798 CB ILE A 54 16.954 6.080 9.638 1.00 0.00 C ATOM 799 CG1 ILE A 54 17.530 7.470 9.361 1.00 0.00 C ATOM 800 CG2 ILE A 54 18.042 5.021 9.544 1.00 0.00 C ATOM 801 CD1 ILE A 54 18.133 8.128 10.582 1.00 0.00 C ATOM 0 H ILE A 54 15.785 3.670 8.644 1.00 0.00 H new ATOM 0 HA ILE A 54 15.025 6.509 8.771 1.00 0.00 H new ATOM 0 HB ILE A 54 16.551 6.070 10.651 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.293 7.391 8.587 1.00 0.00 H new ATOM 0 HG13 ILE A 54 16.741 8.110 8.966 1.00 0.00 H new ATOM 0 HG21 ILE A 54 18.841 5.257 10.247 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.622 4.045 9.786 1.00 0.00 H new ATOM 0 HG23 ILE A 54 18.444 5.002 8.531 1.00 0.00 H new ATOM 0 HD11 ILE A 54 18.522 9.110 10.312 1.00 0.00 H new ATOM 0 HD12 ILE A 54 17.368 8.240 11.350 1.00 0.00 H new ATOM 0 HD13 ILE A 54 18.945 7.509 10.965 1.00 0.00 H new ATOM 813 N ASN A 55 16.980 4.743 6.788 1.00 0.00 N ATOM 814 CA ASN A 55 17.544 4.676 5.445 1.00 0.00 C ATOM 815 C ASN A 55 16.615 3.915 4.503 1.00 0.00 C ATOM 816 O ASN A 55 17.050 3.034 3.763 1.00 0.00 O ATOM 817 CB ASN A 55 18.917 4.002 5.478 1.00 0.00 C ATOM 818 CG ASN A 55 20.040 4.991 5.725 1.00 0.00 C ATOM 819 OD1 ASN A 55 20.765 4.891 6.715 1.00 0.00 O ATOM 820 ND2 ASN A 55 20.189 5.954 4.822 1.00 0.00 N ATOM 0 H ASN A 55 17.107 3.896 7.342 1.00 0.00 H new ATOM 0 HA ASN A 55 17.656 5.695 5.074 1.00 0.00 H new ATOM 0 HB2 ASN A 55 18.927 3.242 6.259 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.090 3.489 4.532 1.00 0.00 H new ATOM 0 HD21 ASN A 55 20.927 6.649 4.934 1.00 0.00 H new ATOM 0 HD22 ASN A 55 19.565 5.999 4.016 1.00 0.00 H new ATOM 827 N GLY A 56 15.333 4.264 4.535 1.00 0.00 N ATOM 828 CA GLY A 56 14.363 3.606 3.680 1.00 0.00 C ATOM 829 C GLY A 56 13.463 2.658 4.447 1.00 0.00 C ATOM 830 O GLY A 56 13.842 2.146 5.501 1.00 0.00 O ATOM 0 H GLY A 56 14.949 4.991 5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.752 4.359 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.887 3.054 2.900 1.00 0.00 H new ATOM 834 N VAL A 57 12.265 2.424 3.919 1.00 0.00 N ATOM 835 CA VAL A 57 11.308 1.532 4.562 1.00 0.00 C ATOM 836 C VAL A 57 11.461 0.103 4.053 1.00 0.00 C ATOM 837 O VAL A 57 11.245 -0.174 2.873 1.00 0.00 O ATOM 838 CB VAL A 57 9.859 1.997 4.323 1.00 0.00 C ATOM 839 CG1 VAL A 57 8.879 1.093 5.056 1.00 0.00 C ATOM 840 CG2 VAL A 57 9.687 3.445 4.755 1.00 0.00 C ATOM 0 H VAL A 57 11.935 2.840 3.048 1.00 0.00 H new ATOM 0 HA VAL A 57 11.519 1.559 5.631 1.00 0.00 H new ATOM 0 HB VAL A 57 9.646 1.932 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.861 1.438 4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.986 0.071 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.087 1.122 6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.658 3.757 4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.918 3.538 5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.362 4.079 4.180 1.00 0.00 H new ATOM 850 N ARG A 58 11.836 -0.802 4.951 1.00 0.00 N ATOM 851 CA ARG A 58 12.019 -2.204 4.593 1.00 0.00 C ATOM 852 C ARG A 58 10.674 -2.913 4.468 1.00 0.00 C ATOM 853 O ARG A 58 9.953 -3.079 5.453 1.00 0.00 O ATOM 854 CB ARG A 58 12.885 -2.910 5.638 1.00 0.00 C ATOM 855 CG ARG A 58 13.092 -4.389 5.359 1.00 0.00 C ATOM 856 CD ARG A 58 14.019 -5.025 6.382 1.00 0.00 C ATOM 857 NE ARG A 58 14.074 -6.478 6.243 1.00 0.00 N ATOM 858 CZ ARG A 58 14.521 -7.291 7.194 1.00 0.00 C ATOM 859 NH1 ARG A 58 14.950 -6.796 8.347 1.00 0.00 N ATOM 860 NH2 ARG A 58 14.540 -8.603 6.993 1.00 0.00 N ATOM 0 H ARG A 58 12.019 -0.590 5.932 1.00 0.00 H new ATOM 0 HA ARG A 58 12.522 -2.244 3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.857 -2.418 5.684 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.423 -2.795 6.618 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.130 -4.901 5.371 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.509 -4.517 4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 58 15.021 -4.612 6.269 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.680 -4.770 7.386 1.00 0.00 H new ATOM 0 HE ARG A 58 13.752 -6.891 5.368 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.937 -5.789 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.293 -7.423 9.075 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.211 -8.988 6.108 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.883 -9.226 7.724 1.00 0.00 H new ATOM 874 N CYS A 59 10.342 -3.330 3.251 1.00 0.00 N ATOM 875 CA CYS A 59 9.084 -4.021 2.995 1.00 0.00 C ATOM 876 C CYS A 59 9.069 -5.390 3.669 1.00 0.00 C ATOM 877 O CYS A 59 9.937 -6.232 3.442 1.00 0.00 O ATOM 878 CB CYS A 59 8.862 -4.179 1.490 1.00 0.00 C ATOM 879 SG CYS A 59 7.259 -4.925 1.049 1.00 0.00 S ATOM 0 H CYS A 59 10.927 -3.201 2.426 1.00 0.00 H new ATOM 0 HA CYS A 59 8.276 -3.420 3.413 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.937 -3.200 1.018 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.662 -4.794 1.078 1.00 0.00 H new ATOM 884 N PRO A 60 8.057 -5.619 4.520 1.00 0.00 N ATOM 885 CA PRO A 60 7.903 -6.884 5.244 1.00 0.00 C ATOM 886 C PRO A 60 7.518 -8.036 4.323 1.00 0.00 C ATOM 887 O PRO A 60 7.272 -9.153 4.778 1.00 0.00 O ATOM 888 CB PRO A 60 6.772 -6.590 6.234 1.00 0.00 C ATOM 889 CG PRO A 60 5.990 -5.492 5.601 1.00 0.00 C ATOM 890 CD PRO A 60 6.986 -4.660 4.840 1.00 0.00 C ATOM 0 HA PRO A 60 8.833 -7.198 5.718 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.153 -7.471 6.401 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.164 -6.288 7.205 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.225 -5.891 4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.476 -4.894 6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.547 -4.232 3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.357 -3.829 5.440 1.00 0.00 H new ATOM 898 N PHE A 61 7.469 -7.758 3.024 1.00 0.00 N ATOM 899 CA PHE A 61 7.113 -8.772 2.038 1.00 0.00 C ATOM 900 C PHE A 61 8.339 -9.208 1.240 1.00 0.00 C ATOM 901 O PHE A 61 8.659 -10.395 1.171 1.00 0.00 O ATOM 902 CB PHE A 61 6.037 -8.238 1.091 1.00 0.00 C ATOM 903 CG PHE A 61 4.752 -7.883 1.782 1.00 0.00 C ATOM 904 CD1 PHE A 61 4.110 -8.804 2.595 1.00 0.00 C ATOM 905 CD2 PHE A 61 4.186 -6.629 1.620 1.00 0.00 C ATOM 906 CE1 PHE A 61 2.927 -8.480 3.231 1.00 0.00 C ATOM 907 CE2 PHE A 61 3.003 -6.300 2.255 1.00 0.00 C ATOM 908 CZ PHE A 61 2.373 -7.226 3.062 1.00 0.00 C ATOM 0 H PHE A 61 7.671 -6.839 2.630 1.00 0.00 H new ATOM 0 HA PHE A 61 6.720 -9.639 2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.421 -7.355 0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.834 -8.987 0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.539 -9.785 2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.675 -5.900 0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.435 -9.207 3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.572 -5.319 2.120 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.449 -6.971 3.560 1.00 0.00 H new ATOM 918 N CYS A 62 9.020 -8.239 0.638 1.00 0.00 N ATOM 919 CA CYS A 62 10.210 -8.520 -0.157 1.00 0.00 C ATOM 920 C CYS A 62 11.461 -7.972 0.524 1.00 0.00 C ATOM 921 O CYS A 62 12.581 -8.351 0.185 1.00 0.00 O ATOM 922 CB CYS A 62 10.070 -7.915 -1.555 1.00 0.00 C ATOM 923 SG CYS A 62 9.818 -6.110 -1.562 1.00 0.00 S ATOM 0 H CYS A 62 8.768 -7.252 0.685 1.00 0.00 H new ATOM 0 HA CYS A 62 10.310 -9.602 -0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.965 -8.148 -2.132 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.231 -8.390 -2.063 1.00 0.00 H new ATOM 928 N SER A 63 11.260 -7.077 1.487 1.00 0.00 N ATOM 929 CA SER A 63 12.371 -6.474 2.213 1.00 0.00 C ATOM 930 C SER A 63 13.267 -5.676 1.271 1.00 0.00 C ATOM 931 O SER A 63 14.490 -5.812 1.294 1.00 0.00 O ATOM 932 CB SER A 63 13.191 -7.554 2.922 1.00 0.00 C ATOM 933 OG SER A 63 12.433 -8.182 3.942 1.00 0.00 O ATOM 0 H SER A 63 10.338 -6.754 1.782 1.00 0.00 H new ATOM 0 HA SER A 63 11.959 -5.793 2.958 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.520 -8.299 2.198 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.088 -7.110 3.353 1.00 0.00 H new ATOM 0 HG SER A 63 11.550 -7.760 4.000 1.00 0.00 H new ATOM 939 N LYS A 64 12.649 -4.842 0.441 1.00 0.00 N ATOM 940 CA LYS A 64 13.387 -4.020 -0.510 1.00 0.00 C ATOM 941 C LYS A 64 13.346 -2.550 -0.106 1.00 0.00 C ATOM 942 O LYS A 64 12.435 -1.816 -0.492 1.00 0.00 O ATOM 943 CB LYS A 64 12.811 -4.190 -1.918 1.00 0.00 C ATOM 944 CG LYS A 64 13.283 -5.452 -2.620 1.00 0.00 C ATOM 945 CD LYS A 64 12.657 -5.590 -3.997 1.00 0.00 C ATOM 946 CE LYS A 64 13.121 -6.859 -4.695 1.00 0.00 C ATOM 947 NZ LYS A 64 12.579 -6.961 -6.079 1.00 0.00 N ATOM 0 H LYS A 64 11.637 -4.718 0.408 1.00 0.00 H new ATOM 0 HA LYS A 64 14.426 -4.350 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.723 -4.204 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.086 -3.324 -2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.369 -5.433 -2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.030 -6.323 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.571 -5.600 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.917 -4.723 -4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.210 -6.877 -4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.806 -7.728 -4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.918 -7.839 -6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.540 -6.969 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.900 -6.145 -6.639 1.00 0.00 H new ATOM 961 N ILE A 65 14.336 -2.127 0.672 1.00 0.00 N ATOM 962 CA ILE A 65 14.413 -0.743 1.125 1.00 0.00 C ATOM 963 C ILE A 65 13.868 0.212 0.069 1.00 0.00 C ATOM 964 O ILE A 65 14.310 0.203 -1.080 1.00 0.00 O ATOM 965 CB ILE A 65 15.860 -0.342 1.467 1.00 0.00 C ATOM 966 CG1 ILE A 65 16.457 -1.320 2.481 1.00 0.00 C ATOM 967 CG2 ILE A 65 15.902 1.080 2.006 1.00 0.00 C ATOM 968 CD1 ILE A 65 15.680 -1.397 3.777 1.00 0.00 C ATOM 0 H ILE A 65 15.096 -2.722 1.002 1.00 0.00 H new ATOM 0 HA ILE A 65 13.803 -0.671 2.025 1.00 0.00 H new ATOM 0 HB ILE A 65 16.458 -0.382 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.501 -2.313 2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.483 -1.023 2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 65 16.931 1.349 2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.512 1.766 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.293 1.145 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 65 16.161 -2.109 4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.658 -0.414 4.247 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.661 -1.724 3.571 1.00 0.00 H new ATOM 980 N THR A 66 12.906 1.039 0.466 1.00 0.00 N ATOM 981 CA THR A 66 12.301 2.002 -0.445 1.00 0.00 C ATOM 982 C THR A 66 13.193 3.225 -0.624 1.00 0.00 C ATOM 983 O THR A 66 13.181 3.865 -1.675 1.00 0.00 O ATOM 984 CB THR A 66 10.918 2.458 0.057 1.00 0.00 C ATOM 985 OG1 THR A 66 10.132 1.321 0.429 1.00 0.00 O ATOM 986 CG2 THR A 66 10.189 3.255 -1.015 1.00 0.00 C ATOM 0 H THR A 66 12.529 1.061 1.414 1.00 0.00 H new ATOM 0 HA THR A 66 12.183 1.498 -1.404 1.00 0.00 H new ATOM 0 HB THR A 66 11.065 3.098 0.927 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.498 0.924 1.247 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.215 3.566 -0.638 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.776 4.136 -1.275 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.054 2.634 -1.901 1.00 0.00 H new ATOM 994 N ARG A 67 13.966 3.544 0.409 1.00 0.00 N ATOM 995 CA ARG A 67 14.864 4.692 0.366 1.00 0.00 C ATOM 996 C ARG A 67 14.078 5.993 0.235 1.00 0.00 C ATOM 997 O ARG A 67 14.384 6.831 -0.614 1.00 0.00 O ATOM 998 CB ARG A 67 15.844 4.555 -0.801 1.00 0.00 C ATOM 999 CG ARG A 67 17.151 3.878 -0.424 1.00 0.00 C ATOM 1000 CD ARG A 67 18.132 4.864 0.190 1.00 0.00 C ATOM 1001 NE ARG A 67 18.773 5.700 -0.821 1.00 0.00 N ATOM 1002 CZ ARG A 67 18.328 6.902 -1.171 1.00 0.00 C ATOM 1003 NH1 ARG A 67 17.246 7.406 -0.593 1.00 0.00 N ATOM 1004 NH2 ARG A 67 18.965 7.603 -2.100 1.00 0.00 N ATOM 0 H ARG A 67 13.988 3.024 1.286 1.00 0.00 H new ATOM 0 HA ARG A 67 15.424 4.719 1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.367 3.986 -1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.060 5.546 -1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 67 16.954 3.072 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 67 17.596 3.424 -1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 67 17.609 5.498 0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 67 18.895 4.318 0.746 1.00 0.00 H new ATOM 0 HE ARG A 67 19.608 5.342 -1.284 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.753 6.871 0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.906 8.329 -0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.798 7.219 -2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.622 8.526 -2.367 1.00 0.00 H new ATOM 1018 N ILE A 68 13.065 6.154 1.079 1.00 0.00 N ATOM 1019 CA ILE A 68 12.236 7.352 1.058 1.00 0.00 C ATOM 1020 C ILE A 68 12.128 7.970 2.448 1.00 0.00 C ATOM 1021 O ILE A 68 11.864 7.276 3.430 1.00 0.00 O ATOM 1022 CB ILE A 68 10.821 7.049 0.531 1.00 0.00 C ATOM 1023 CG1 ILE A 68 10.205 5.881 1.305 1.00 0.00 C ATOM 1024 CG2 ILE A 68 10.865 6.741 -0.958 1.00 0.00 C ATOM 1025 CD1 ILE A 68 8.729 6.054 1.587 1.00 0.00 C ATOM 0 H ILE A 68 12.799 5.469 1.786 1.00 0.00 H new ATOM 0 HA ILE A 68 12.721 8.059 0.385 1.00 0.00 H new ATOM 0 HB ILE A 68 10.196 7.930 0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.353 4.962 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.736 5.762 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.857 6.529 -1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 68 11.268 7.600 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 68 11.502 5.873 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.360 5.189 2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.575 6.955 2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.187 6.143 0.646 1.00 0.00 H new ATOM 1037 N THR A 69 12.332 9.282 2.524 1.00 0.00 N ATOM 1038 CA THR A 69 12.256 9.995 3.792 1.00 0.00 C ATOM 1039 C THR A 69 10.820 10.393 4.115 1.00 0.00 C ATOM 1040 O THR A 69 10.440 10.486 5.282 1.00 0.00 O ATOM 1041 CB THR A 69 13.136 11.259 3.780 1.00 0.00 C ATOM 1042 OG1 THR A 69 13.208 11.819 5.096 1.00 0.00 O ATOM 1043 CG2 THR A 69 12.583 12.294 2.812 1.00 0.00 C ATOM 0 H THR A 69 12.551 9.872 1.721 1.00 0.00 H new ATOM 0 HA THR A 69 12.622 9.313 4.559 1.00 0.00 H new ATOM 0 HB THR A 69 14.136 10.976 3.452 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.771 12.621 5.080 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.221 13.178 2.821 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.558 11.875 1.806 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.573 12.572 3.115 1.00 0.00 H new ATOM 1051 N SER A 70 10.027 10.625 3.074 1.00 0.00 N ATOM 1052 CA SER A 70 8.633 11.016 3.248 1.00 0.00 C ATOM 1053 C SER A 70 7.697 9.959 2.670 1.00 0.00 C ATOM 1054 O SER A 70 8.064 9.220 1.755 1.00 0.00 O ATOM 1055 CB SER A 70 8.373 12.366 2.576 1.00 0.00 C ATOM 1056 OG SER A 70 8.896 13.430 3.351 1.00 0.00 O ATOM 0 H SER A 70 10.326 10.549 2.102 1.00 0.00 H new ATOM 0 HA SER A 70 8.436 11.106 4.316 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.827 12.376 1.585 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.301 12.506 2.437 1.00 0.00 H new ATOM 0 HG SER A 70 8.719 14.282 2.900 1.00 0.00 H new ATOM 1062 N LEU A 71 6.485 9.892 3.211 1.00 0.00 N ATOM 1063 CA LEU A 71 5.494 8.926 2.751 1.00 0.00 C ATOM 1064 C LEU A 71 5.110 9.190 1.298 1.00 0.00 C ATOM 1065 O LEU A 71 4.731 8.273 0.568 1.00 0.00 O ATOM 1066 CB LEU A 71 4.249 8.980 3.638 1.00 0.00 C ATOM 1067 CG LEU A 71 4.476 8.728 5.129 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.220 9.051 5.922 1.00 0.00 C ATOM 1069 CD2 LEU A 71 4.903 7.286 5.367 1.00 0.00 C ATOM 0 H LEU A 71 6.165 10.495 3.969 1.00 0.00 H new ATOM 0 HA LEU A 71 5.935 7.931 2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.787 9.960 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.533 8.245 3.270 1.00 0.00 H new ATOM 0 HG LEU A 71 5.276 9.384 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.400 8.866 6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.957 10.099 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.400 8.420 5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.060 7.124 6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.125 6.612 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.830 7.088 4.829 1.00 0.00 H new ATOM 1081 N THR A 72 5.212 10.449 0.884 1.00 0.00 N ATOM 1082 CA THR A 72 4.876 10.834 -0.481 1.00 0.00 C ATOM 1083 C THR A 72 6.023 10.528 -1.437 1.00 0.00 C ATOM 1084 O THR A 72 5.803 10.235 -2.611 1.00 0.00 O ATOM 1085 CB THR A 72 4.532 12.332 -0.573 1.00 0.00 C ATOM 1086 OG1 THR A 72 4.141 12.664 -1.911 1.00 0.00 O ATOM 1087 CG2 THR A 72 5.720 13.187 -0.160 1.00 0.00 C ATOM 0 H THR A 72 5.525 11.220 1.475 1.00 0.00 H new ATOM 0 HA THR A 72 4.002 10.249 -0.768 1.00 0.00 H new ATOM 0 HB THR A 72 3.705 12.534 0.108 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.922 13.618 -1.961 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.453 14.241 -0.233 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.996 12.953 0.868 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.564 12.980 -0.818 1.00 0.00 H new ATOM 1095 N GLN A 73 7.248 10.596 -0.925 1.00 0.00 N ATOM 1096 CA GLN A 73 8.430 10.326 -1.734 1.00 0.00 C ATOM 1097 C GLN A 73 8.253 9.047 -2.546 1.00 0.00 C ATOM 1098 O GLN A 73 8.371 9.057 -3.772 1.00 0.00 O ATOM 1099 CB GLN A 73 9.669 10.212 -0.844 1.00 0.00 C ATOM 1100 CG GLN A 73 10.381 11.536 -0.619 1.00 0.00 C ATOM 1101 CD GLN A 73 11.010 12.082 -1.886 1.00 0.00 C ATOM 1102 OE1 GLN A 73 10.412 12.897 -2.588 1.00 0.00 O ATOM 1103 NE2 GLN A 73 12.225 11.636 -2.183 1.00 0.00 N ATOM 0 H GLN A 73 7.447 10.836 0.046 1.00 0.00 H new ATOM 0 HA GLN A 73 8.564 11.158 -2.425 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.376 9.798 0.121 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.366 9.506 -1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.671 12.264 -0.227 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.154 11.405 0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.684 10.960 -1.572 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.700 11.969 -3.022 1.00 0.00 H new ATOM 1112 N LEU A 74 7.970 7.948 -1.856 1.00 0.00 N ATOM 1113 CA LEU A 74 7.777 6.660 -2.513 1.00 0.00 C ATOM 1114 C LEU A 74 6.737 6.766 -3.624 1.00 0.00 C ATOM 1115 O LEU A 74 6.257 7.856 -3.939 1.00 0.00 O ATOM 1116 CB LEU A 74 7.344 5.605 -1.493 1.00 0.00 C ATOM 1117 CG LEU A 74 6.214 6.011 -0.546 1.00 0.00 C ATOM 1118 CD1 LEU A 74 4.878 6.001 -1.273 1.00 0.00 C ATOM 1119 CD2 LEU A 74 6.173 5.087 0.662 1.00 0.00 C ATOM 0 H LEU A 74 7.869 7.923 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 74 8.726 6.360 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.034 4.711 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.212 5.330 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 74 6.406 7.025 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.086 6.292 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.911 6.704 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.678 4.999 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.363 5.391 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.006 4.062 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.121 5.145 1.197 1.00 0.00 H new ATOM 1131 N THR A 75 6.392 5.627 -4.215 1.00 0.00 N ATOM 1132 CA THR A 75 5.409 5.591 -5.290 1.00 0.00 C ATOM 1133 C THR A 75 3.989 5.539 -4.736 1.00 0.00 C ATOM 1134 O THR A 75 3.710 4.806 -3.787 1.00 0.00 O ATOM 1135 CB THR A 75 5.631 4.379 -6.215 1.00 0.00 C ATOM 1136 OG1 THR A 75 6.955 4.416 -6.760 1.00 0.00 O ATOM 1137 CG2 THR A 75 4.613 4.366 -7.345 1.00 0.00 C ATOM 0 H THR A 75 6.779 4.716 -3.967 1.00 0.00 H new ATOM 0 HA THR A 75 5.538 6.507 -5.866 1.00 0.00 H new ATOM 0 HB THR A 75 5.506 3.471 -5.624 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.089 3.642 -7.346 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.790 3.501 -7.984 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.607 4.309 -6.928 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.711 5.278 -7.933 1.00 0.00 H new ATOM 1145 N ASP A 76 3.097 6.319 -5.335 1.00 0.00 N ATOM 1146 CA ASP A 76 1.705 6.360 -4.902 1.00 0.00 C ATOM 1147 C ASP A 76 0.901 5.237 -5.550 1.00 0.00 C ATOM 1148 O ASP A 76 1.230 4.775 -6.641 1.00 0.00 O ATOM 1149 CB ASP A 76 1.081 7.714 -5.246 1.00 0.00 C ATOM 1150 CG ASP A 76 1.925 8.879 -4.767 1.00 0.00 C ATOM 1151 OD1 ASP A 76 2.802 9.330 -5.534 1.00 0.00 O ATOM 1152 OD2 ASP A 76 1.710 9.338 -3.626 1.00 0.00 O ATOM 0 H ASP A 76 3.312 6.932 -6.122 1.00 0.00 H new ATOM 0 HA ASP A 76 1.683 6.222 -3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.947 7.785 -6.325 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.090 7.778 -4.797 1.00 0.00 H new ATOM 1157 N ASN A 77 -0.154 4.802 -4.867 1.00 0.00 N ATOM 1158 CA ASN A 77 -1.004 3.731 -5.375 1.00 0.00 C ATOM 1159 C ASN A 77 -2.474 4.133 -5.324 1.00 0.00 C ATOM 1160 O ASN A 77 -3.276 3.507 -4.629 1.00 0.00 O ATOM 1161 CB ASN A 77 -0.785 2.451 -4.567 1.00 0.00 C ATOM 1162 CG ASN A 77 -0.969 1.199 -5.404 1.00 0.00 C ATOM 1163 OD1 ASN A 77 -1.820 0.294 -4.934 1.00 0.00 O flip ATOM 1164 ND2 ASN A 77 -0.355 1.049 -6.460 1.00 0.00 N flip ATOM 0 H ASN A 77 -0.440 5.174 -3.962 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.732 3.547 -6.414 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.220 2.458 -4.146 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.482 2.430 -3.729 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.289 1.771 -6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.490 0.202 -7.013 1.00 0.00 H new ATOM 1171 N LEU A 78 -2.822 5.180 -6.063 1.00 0.00 N ATOM 1172 CA LEU A 78 -4.197 5.667 -6.103 1.00 0.00 C ATOM 1173 C LEU A 78 -5.071 4.758 -6.962 1.00 0.00 C ATOM 1174 O LEU A 78 -6.241 5.055 -7.208 1.00 0.00 O ATOM 1175 CB LEU A 78 -4.238 7.096 -6.647 1.00 0.00 C ATOM 1176 CG LEU A 78 -3.437 7.351 -7.925 1.00 0.00 C ATOM 1177 CD1 LEU A 78 -2.015 7.770 -7.589 1.00 0.00 C ATOM 1178 CD2 LEU A 78 -3.435 6.112 -8.809 1.00 0.00 C ATOM 0 H LEU A 78 -2.171 5.709 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.588 5.662 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.278 7.362 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.872 7.769 -5.872 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.913 8.164 -8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.460 7.947 -8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.036 8.685 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.528 6.979 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.861 6.311 -9.714 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.983 5.280 -8.268 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.460 5.856 -9.079 1.00 0.00 H new ATOM 1190 N THR A 79 -4.496 3.648 -7.415 1.00 0.00 N ATOM 1191 CA THR A 79 -5.223 2.696 -8.245 1.00 0.00 C ATOM 1192 C THR A 79 -6.340 2.021 -7.458 1.00 0.00 C ATOM 1193 O THR A 79 -7.439 1.813 -7.973 1.00 0.00 O ATOM 1194 CB THR A 79 -4.284 1.614 -8.812 1.00 0.00 C ATOM 1195 OG1 THR A 79 -5.028 0.690 -9.613 1.00 0.00 O ATOM 1196 CG2 THR A 79 -3.580 0.867 -7.689 1.00 0.00 C ATOM 0 H THR A 79 -3.529 3.387 -7.221 1.00 0.00 H new ATOM 0 HA THR A 79 -5.655 3.262 -9.071 1.00 0.00 H new ATOM 0 HB THR A 79 -3.531 2.104 -9.429 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.424 0.007 -9.971 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.922 0.108 -8.113 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.991 1.569 -7.099 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.322 0.388 -7.050 1.00 0.00 H new ATOM 1204 N VAL A 80 -6.053 1.680 -6.205 1.00 0.00 N ATOM 1205 CA VAL A 80 -7.035 1.030 -5.346 1.00 0.00 C ATOM 1206 C VAL A 80 -8.189 1.972 -5.019 1.00 0.00 C ATOM 1207 O VAL A 80 -9.323 1.535 -4.816 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.396 0.543 -4.032 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -5.418 -0.589 -4.301 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.707 1.696 -3.316 1.00 0.00 C ATOM 0 H VAL A 80 -5.148 1.843 -5.763 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.417 0.170 -5.896 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.185 0.162 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.977 -0.920 -3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.945 -1.422 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.630 -0.239 -4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.261 1.334 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.928 2.109 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.438 2.472 -3.088 1.00 0.00 H new ATOM 1220 N LEU A 81 -7.893 3.266 -4.971 1.00 0.00 N ATOM 1221 CA LEU A 81 -8.906 4.271 -4.669 1.00 0.00 C ATOM 1222 C LEU A 81 -9.854 4.461 -5.849 1.00 0.00 C ATOM 1223 O LEU A 81 -11.046 4.711 -5.669 1.00 0.00 O ATOM 1224 CB LEU A 81 -8.242 5.603 -4.315 1.00 0.00 C ATOM 1225 CG LEU A 81 -7.408 5.617 -3.033 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -6.673 6.940 -2.889 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -8.290 5.359 -1.820 1.00 0.00 C ATOM 0 H LEU A 81 -6.960 3.644 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.485 3.922 -3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.601 5.898 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.020 6.362 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.668 4.819 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.085 6.932 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.011 7.083 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.396 7.755 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.680 5.373 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.053 6.134 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.769 4.385 -1.919 1.00 0.00 H new ATOM 1239 N LYS A 82 -9.316 4.339 -7.058 1.00 0.00 N ATOM 1240 CA LYS A 82 -10.113 4.493 -8.270 1.00 0.00 C ATOM 1241 C LYS A 82 -11.173 5.575 -8.090 1.00 0.00 C ATOM 1242 O LYS A 82 -12.361 5.333 -8.299 1.00 0.00 O ATOM 1243 CB LYS A 82 -10.780 3.166 -8.638 1.00 0.00 C ATOM 1244 CG LYS A 82 -10.830 2.904 -10.133 1.00 0.00 C ATOM 1245 CD LYS A 82 -12.110 3.443 -10.751 1.00 0.00 C ATOM 1246 CE LYS A 82 -13.240 2.428 -10.664 1.00 0.00 C ATOM 1247 NZ LYS A 82 -14.400 2.816 -11.515 1.00 0.00 N ATOM 0 H LYS A 82 -8.331 4.134 -7.225 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.446 4.794 -9.078 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.242 2.352 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.795 3.157 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.969 3.369 -10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.759 1.832 -10.318 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.403 4.361 -10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.931 3.702 -11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.874 1.449 -10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.565 2.334 -9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.149 2.100 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.766 3.738 -11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.096 2.881 -12.507 1.00 0.00 H new ATOM 1261 N SER A 83 -10.734 6.768 -7.702 1.00 0.00 N ATOM 1262 CA SER A 83 -11.646 7.886 -7.492 1.00 0.00 C ATOM 1263 C SER A 83 -12.757 7.506 -6.518 1.00 0.00 C ATOM 1264 O SER A 83 -13.929 7.802 -6.749 1.00 0.00 O ATOM 1265 CB SER A 83 -12.251 8.336 -8.823 1.00 0.00 C ATOM 1266 OG SER A 83 -11.244 8.778 -9.717 1.00 0.00 O ATOM 0 H SER A 83 -9.753 6.985 -7.527 1.00 0.00 H new ATOM 0 HA SER A 83 -11.077 8.711 -7.063 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.804 7.511 -9.272 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.965 9.141 -8.648 1.00 0.00 H new ATOM 0 HG SER A 83 -11.656 9.059 -10.561 1.00 0.00 H new ATOM 1272 N GLY A 84 -12.380 6.846 -5.427 1.00 0.00 N ATOM 1273 CA GLY A 84 -13.355 6.434 -4.434 1.00 0.00 C ATOM 1274 C GLY A 84 -13.964 5.081 -4.745 1.00 0.00 C ATOM 1275 O GLY A 84 -13.562 4.398 -5.687 1.00 0.00 O ATOM 0 H GLY A 84 -11.416 6.589 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.878 6.398 -3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.147 7.181 -4.376 1.00 0.00 H new ATOM 1279 N PRO A 85 -14.956 4.676 -3.940 1.00 0.00 N ATOM 1280 CA PRO A 85 -15.642 3.392 -4.113 1.00 0.00 C ATOM 1281 C PRO A 85 -16.514 3.364 -5.364 1.00 0.00 C ATOM 1282 O PRO A 85 -17.709 3.655 -5.306 1.00 0.00 O ATOM 1283 CB PRO A 85 -16.507 3.278 -2.856 1.00 0.00 C ATOM 1284 CG PRO A 85 -16.733 4.686 -2.423 1.00 0.00 C ATOM 1285 CD PRO A 85 -15.486 5.439 -2.798 1.00 0.00 C ATOM 0 HA PRO A 85 -14.939 2.569 -4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -17.449 2.773 -3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -16.004 2.701 -2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -17.608 5.110 -2.915 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.914 4.740 -1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -15.707 6.471 -3.072 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -14.774 5.474 -1.973 1.00 0.00 H new ATOM 1293 N SER A 86 -15.909 3.013 -6.494 1.00 0.00 N ATOM 1294 CA SER A 86 -16.630 2.952 -7.760 1.00 0.00 C ATOM 1295 C SER A 86 -17.695 4.042 -7.832 1.00 0.00 C ATOM 1296 O SER A 86 -18.813 3.803 -8.289 1.00 0.00 O ATOM 1297 CB SER A 86 -17.278 1.577 -7.935 1.00 0.00 C ATOM 1298 OG SER A 86 -16.311 0.595 -8.266 1.00 0.00 O ATOM 0 H SER A 86 -14.921 2.767 -6.559 1.00 0.00 H new ATOM 0 HA SER A 86 -15.915 3.114 -8.566 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.789 1.293 -7.015 1.00 0.00 H new ATOM 0 HB3 SER A 86 -18.035 1.625 -8.718 1.00 0.00 H new ATOM 0 HG SER A 86 -16.750 -0.275 -8.371 1.00 0.00 H new ATOM 1304 N SER A 87 -17.339 5.239 -7.378 1.00 0.00 N ATOM 1305 CA SER A 87 -18.265 6.366 -7.386 1.00 0.00 C ATOM 1306 C SER A 87 -18.244 7.075 -8.737 1.00 0.00 C ATOM 1307 O SER A 87 -17.237 7.665 -9.125 1.00 0.00 O ATOM 1308 CB SER A 87 -17.909 7.353 -6.273 1.00 0.00 C ATOM 1309 OG SER A 87 -18.537 6.995 -5.054 1.00 0.00 O ATOM 0 H SER A 87 -16.416 5.454 -7.000 1.00 0.00 H new ATOM 0 HA SER A 87 -19.270 5.981 -7.212 1.00 0.00 H new ATOM 0 HB2 SER A 87 -16.828 7.377 -6.136 1.00 0.00 H new ATOM 0 HB3 SER A 87 -18.216 8.358 -6.562 1.00 0.00 H new ATOM 0 HG SER A 87 -18.292 7.640 -4.358 1.00 0.00 H new ATOM 1315 N GLY A 88 -19.365 7.012 -9.449 1.00 0.00 N ATOM 1316 CA GLY A 88 -19.456 7.652 -10.748 1.00 0.00 C ATOM 1317 C GLY A 88 -20.578 7.087 -11.596 1.00 0.00 C ATOM 1318 O GLY A 88 -21.709 7.010 -11.118 1.00 0.00 O ATOM 0 H GLY A 88 -20.212 6.529 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -19.611 8.722 -10.612 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.510 7.532 -11.276 1.00 0.00 H new TER 1322 GLY A 88 HETATM 1323 ZN ZN A 201 -1.950 -1.946 6.455 1.00 0.00 ZN HETATM 1324 ZN ZN A 401 7.618 -5.428 -1.233 1.00 0.00 ZN