USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 0 HIS : no HE2:sc= -4.2! C(o=-5.1!,f=-7.1!) USER MOD Set 1.2: A -2 GLY N :NH3+ 160:sc= -0.939! (180deg=0) USER MOD Single : A 1 MET CE :methyl -133:sc= -11.8! (180deg=-16.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -71:sc= -2.21! USER MOD Single : A 20 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-1.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.534 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0087 USER MOD Single : A 57 HIS : no HD1:sc= -8.09! C(o=-8.1!,f=-9.3!) USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= 0.0119 (180deg=0.00204) USER MOD Single : A 76 SER OG : rot 180:sc= 0.69 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 19.947 6.525 -3.046 1.00 0.00 N ATOM 2 CA GLY A -2 18.926 7.448 -2.580 1.00 0.00 C ATOM 3 C GLY A -2 17.853 7.664 -3.649 1.00 0.00 C ATOM 4 O GLY A -2 16.757 7.113 -3.553 1.00 0.00 O ATOM 0 H1 GLY A -2 20.810 6.647 -2.479 1.00 0.00 H new ATOM 0 H2 GLY A -2 19.603 5.548 -2.948 1.00 0.00 H new ATOM 0 H3 GLY A -2 20.159 6.718 -4.046 1.00 0.00 H new ATOM 0 HA2 GLY A -2 18.466 7.059 -1.672 1.00 0.00 H new ATOM 0 HA3 GLY A -2 19.384 8.403 -2.322 1.00 0.00 H new ATOM 8 N SER A -1 18.205 8.467 -4.642 1.00 0.00 N ATOM 9 CA SER A -1 17.286 8.762 -5.728 1.00 0.00 C ATOM 10 C SER A -1 17.137 7.539 -6.635 1.00 0.00 C ATOM 11 O SER A -1 17.945 7.330 -7.538 1.00 0.00 O ATOM 12 CB SER A -1 17.761 9.970 -6.538 1.00 0.00 C ATOM 13 OG SER A -1 17.997 11.107 -5.713 1.00 0.00 O ATOM 0 H SER A -1 19.114 8.923 -4.717 1.00 0.00 H new ATOM 0 HA SER A -1 16.315 9.007 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A -1 18.677 9.712 -7.070 1.00 0.00 H new ATOM 0 HB3 SER A -1 17.013 10.218 -7.291 1.00 0.00 H new ATOM 0 HG SER A -1 18.300 11.856 -6.267 1.00 0.00 H new ATOM 19 N HIS A 0 16.098 6.764 -6.363 1.00 0.00 N ATOM 20 CA HIS A 0 15.832 5.567 -7.144 1.00 0.00 C ATOM 21 C HIS A 0 14.402 5.091 -6.883 1.00 0.00 C ATOM 22 O HIS A 0 14.083 4.646 -5.782 1.00 0.00 O ATOM 23 CB HIS A 0 16.878 4.488 -6.856 1.00 0.00 C ATOM 24 CG HIS A 0 17.213 4.332 -5.392 1.00 0.00 C ATOM 25 ND1 HIS A 0 16.522 3.475 -4.552 1.00 0.00 N ATOM 26 CD2 HIS A 0 18.171 4.931 -4.628 1.00 0.00 C ATOM 27 CE1 HIS A 0 17.050 3.563 -3.340 1.00 0.00 C ATOM 28 NE2 HIS A 0 18.071 4.466 -3.389 1.00 0.00 N ATOM 0 H HIS A 0 15.430 6.941 -5.613 1.00 0.00 H new ATOM 0 HA HIS A 0 15.913 5.796 -8.207 1.00 0.00 H new ATOM 0 HB2 HIS A 0 16.516 3.534 -7.239 1.00 0.00 H new ATOM 0 HB3 HIS A 0 17.790 4.725 -7.404 1.00 0.00 H new ATOM 0 HD1 HIS A 0 15.740 2.878 -4.821 1.00 0.00 H new ATOM 0 HD2 HIS A 0 18.889 5.660 -4.973 1.00 0.00 H new ATOM 0 HE1 HIS A 0 16.728 3.016 -2.466 1.00 0.00 H new ATOM 36 N MET A 1 13.578 5.201 -7.915 1.00 0.00 N ATOM 37 CA MET A 1 12.189 4.788 -7.812 1.00 0.00 C ATOM 38 C MET A 1 11.395 5.221 -9.046 1.00 0.00 C ATOM 39 O MET A 1 11.340 6.406 -9.368 1.00 0.00 O ATOM 40 CB MET A 1 11.564 5.405 -6.559 1.00 0.00 C ATOM 41 CG MET A 1 10.043 5.493 -6.692 1.00 0.00 C ATOM 42 SD MET A 1 9.266 4.974 -5.171 1.00 0.00 S ATOM 43 CE MET A 1 10.065 3.394 -4.939 1.00 0.00 C ATOM 0 H MET A 1 13.846 5.571 -8.827 1.00 0.00 H new ATOM 0 HA MET A 1 12.157 3.700 -7.746 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.822 4.805 -5.686 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.977 6.400 -6.395 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.749 6.515 -6.930 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.705 4.864 -7.516 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.317 2.640 -4.695 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.581 3.109 -5.856 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.786 3.467 -4.125 1.00 0.00 H new ATOM 53 N ASP A 2 10.799 4.236 -9.702 1.00 0.00 N ATOM 54 CA ASP A 2 10.010 4.501 -10.893 1.00 0.00 C ATOM 55 C ASP A 2 8.737 3.653 -10.855 1.00 0.00 C ATOM 56 O ASP A 2 8.549 2.850 -9.943 1.00 0.00 O ATOM 57 CB ASP A 2 10.785 4.132 -12.160 1.00 0.00 C ATOM 58 CG ASP A 2 11.761 5.202 -12.655 1.00 0.00 C ATOM 59 OD1 ASP A 2 12.409 5.824 -11.786 1.00 0.00 O ATOM 60 OD2 ASP A 2 11.837 5.373 -13.890 1.00 0.00 O ATOM 0 H ASP A 2 10.847 3.254 -9.431 1.00 0.00 H new ATOM 0 HA ASP A 2 9.773 5.565 -10.911 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.341 3.213 -11.973 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.071 3.917 -12.955 1.00 0.00 H new ATOM 65 N LEU A 3 7.895 3.862 -11.856 1.00 0.00 N ATOM 66 CA LEU A 3 6.645 3.127 -11.949 1.00 0.00 C ATOM 67 C LEU A 3 6.941 1.667 -12.295 1.00 0.00 C ATOM 68 O LEU A 3 6.391 0.755 -11.678 1.00 0.00 O ATOM 69 CB LEU A 3 5.693 3.811 -12.932 1.00 0.00 C ATOM 70 CG LEU A 3 4.861 4.965 -12.368 1.00 0.00 C ATOM 71 CD1 LEU A 3 3.879 4.465 -11.307 1.00 0.00 C ATOM 72 CD2 LEU A 3 5.762 6.081 -11.835 1.00 0.00 C ATOM 0 H LEU A 3 8.054 4.530 -12.610 1.00 0.00 H new ATOM 0 HA LEU A 3 6.130 3.129 -10.988 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.278 4.187 -13.771 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.012 3.059 -13.330 1.00 0.00 H new ATOM 0 HG LEU A 3 4.270 5.389 -13.180 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.300 5.305 -10.922 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.205 3.733 -11.751 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.431 4.001 -10.490 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.146 6.889 -11.440 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.397 5.688 -11.041 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.386 6.463 -12.643 1.00 0.00 H new ATOM 84 N GLU A 4 7.810 1.489 -13.279 1.00 0.00 N ATOM 85 CA GLU A 4 8.185 0.155 -13.715 1.00 0.00 C ATOM 86 C GLU A 4 8.956 -0.567 -12.607 1.00 0.00 C ATOM 87 O GLU A 4 8.681 -1.729 -12.311 1.00 0.00 O ATOM 88 CB GLU A 4 9.004 0.210 -15.006 1.00 0.00 C ATOM 89 CG GLU A 4 8.152 0.710 -16.174 1.00 0.00 C ATOM 90 CD GLU A 4 8.571 0.040 -17.485 1.00 0.00 C ATOM 91 OE1 GLU A 4 9.602 0.477 -18.041 1.00 0.00 O ATOM 92 OE2 GLU A 4 7.851 -0.893 -17.900 1.00 0.00 O ATOM 0 H GLU A 4 8.265 2.247 -13.787 1.00 0.00 H new ATOM 0 HA GLU A 4 7.275 -0.407 -13.925 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.862 0.868 -14.869 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.396 -0.781 -15.235 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.100 0.504 -15.976 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.253 1.791 -16.266 1.00 0.00 H new ATOM 99 N THR A 5 9.906 0.151 -12.026 1.00 0.00 N ATOM 100 CA THR A 5 10.718 -0.407 -10.958 1.00 0.00 C ATOM 101 C THR A 5 9.840 -0.789 -9.764 1.00 0.00 C ATOM 102 O THR A 5 10.135 -1.748 -9.054 1.00 0.00 O ATOM 103 CB THR A 5 11.806 0.610 -10.611 1.00 0.00 C ATOM 104 OG1 THR A 5 12.825 0.373 -11.579 1.00 0.00 O ATOM 105 CG2 THR A 5 12.486 0.308 -9.274 1.00 0.00 C ATOM 0 H THR A 5 10.132 1.114 -12.275 1.00 0.00 H new ATOM 0 HA THR A 5 11.204 -1.330 -11.272 1.00 0.00 H new ATOM 0 HB THR A 5 11.371 1.609 -10.580 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.570 0.992 -11.428 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.250 1.060 -9.076 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.744 0.326 -8.476 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.950 -0.678 -9.316 1.00 0.00 H new ATOM 113 N LEU A 6 8.779 -0.017 -9.581 1.00 0.00 N ATOM 114 CA LEU A 6 7.856 -0.262 -8.486 1.00 0.00 C ATOM 115 C LEU A 6 7.217 -1.642 -8.661 1.00 0.00 C ATOM 116 O LEU A 6 7.162 -2.429 -7.718 1.00 0.00 O ATOM 117 CB LEU A 6 6.840 0.876 -8.376 1.00 0.00 C ATOM 118 CG LEU A 6 7.217 2.024 -7.437 1.00 0.00 C ATOM 119 CD1 LEU A 6 8.725 2.046 -7.176 1.00 0.00 C ATOM 120 CD2 LEU A 6 6.710 3.363 -7.976 1.00 0.00 C ATOM 0 H LEU A 6 8.538 0.778 -10.172 1.00 0.00 H new ATOM 0 HA LEU A 6 8.389 -0.275 -7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.675 1.287 -9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.890 0.458 -8.043 1.00 0.00 H new ATOM 0 HG LEU A 6 6.726 1.856 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.966 2.871 -6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.029 1.105 -6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.256 2.177 -8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.991 4.162 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.152 3.552 -8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.624 3.330 -8.069 1.00 0.00 H new ATOM 132 N ARG A 7 6.750 -1.892 -9.876 1.00 0.00 N ATOM 133 CA ARG A 7 6.118 -3.162 -10.187 1.00 0.00 C ATOM 134 C ARG A 7 7.064 -4.320 -9.864 1.00 0.00 C ATOM 135 O ARG A 7 6.620 -5.403 -9.487 1.00 0.00 O ATOM 136 CB ARG A 7 5.722 -3.233 -11.663 1.00 0.00 C ATOM 137 CG ARG A 7 5.212 -1.879 -12.160 1.00 0.00 C ATOM 138 CD ARG A 7 4.353 -1.192 -11.096 1.00 0.00 C ATOM 139 NE ARG A 7 3.315 -0.359 -11.744 1.00 0.00 N ATOM 140 CZ ARG A 7 2.215 -0.850 -12.331 1.00 0.00 C ATOM 141 NH1 ARG A 7 2.003 -2.173 -12.355 1.00 0.00 N ATOM 142 NH2 ARG A 7 1.328 -0.019 -12.893 1.00 0.00 N ATOM 0 H ARG A 7 6.797 -1.236 -10.656 1.00 0.00 H new ATOM 0 HA ARG A 7 5.219 -3.242 -9.576 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.580 -3.543 -12.259 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.949 -3.989 -11.800 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.057 -1.241 -12.418 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.628 -2.018 -13.070 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.884 -1.940 -10.457 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.980 -0.573 -10.455 1.00 0.00 H new ATOM 0 HE ARG A 7 3.445 0.653 -11.744 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.679 -2.806 -11.927 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.166 -2.547 -12.802 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.490 0.988 -12.874 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.491 -0.393 -13.340 1.00 0.00 H new ATOM 156 N ALA A 8 8.352 -4.051 -10.023 1.00 0.00 N ATOM 157 CA ALA A 8 9.365 -5.057 -9.753 1.00 0.00 C ATOM 158 C ALA A 8 9.262 -5.500 -8.292 1.00 0.00 C ATOM 159 O ALA A 8 9.122 -6.688 -8.007 1.00 0.00 O ATOM 160 CB ALA A 8 10.746 -4.496 -10.096 1.00 0.00 C ATOM 0 H ALA A 8 8.717 -3.151 -10.335 1.00 0.00 H new ATOM 0 HA ALA A 8 9.207 -5.937 -10.376 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.506 -5.251 -9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.777 -4.224 -11.151 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.941 -3.612 -9.488 1.00 0.00 H new ATOM 166 N ARG A 9 9.334 -4.519 -7.403 1.00 0.00 N ATOM 167 CA ARG A 9 9.250 -4.792 -5.979 1.00 0.00 C ATOM 168 C ARG A 9 7.797 -5.037 -5.570 1.00 0.00 C ATOM 169 O ARG A 9 7.529 -5.800 -4.642 1.00 0.00 O ATOM 170 CB ARG A 9 9.814 -3.628 -5.161 1.00 0.00 C ATOM 171 CG ARG A 9 8.840 -2.448 -5.143 1.00 0.00 C ATOM 172 CD ARG A 9 9.493 -1.190 -5.718 1.00 0.00 C ATOM 173 NE ARG A 9 10.690 -0.833 -4.924 1.00 0.00 N ATOM 174 CZ ARG A 9 11.570 0.113 -5.277 1.00 0.00 C ATOM 175 NH1 ARG A 9 11.394 0.803 -6.413 1.00 0.00 N ATOM 176 NH2 ARG A 9 12.628 0.370 -4.495 1.00 0.00 N ATOM 0 H ARG A 9 9.450 -3.534 -7.642 1.00 0.00 H new ATOM 0 HA ARG A 9 9.843 -5.684 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.011 -3.957 -4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.768 -3.311 -5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.950 -2.697 -5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.513 -2.258 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.773 -1.359 -6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.781 -0.364 -5.709 1.00 0.00 H new ATOM 0 HE ARG A 9 10.855 -1.339 -4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.590 0.608 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.065 1.523 -6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.763 -0.155 -3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.298 1.090 -4.764 1.00 0.00 H new ATOM 190 N ARG A 10 6.896 -4.377 -6.282 1.00 0.00 N ATOM 191 CA ARG A 10 5.476 -4.513 -6.005 1.00 0.00 C ATOM 192 C ARG A 10 5.051 -5.979 -6.120 1.00 0.00 C ATOM 193 O ARG A 10 4.125 -6.416 -5.439 1.00 0.00 O ATOM 194 CB ARG A 10 4.642 -3.671 -6.972 1.00 0.00 C ATOM 195 CG ARG A 10 3.405 -3.101 -6.276 1.00 0.00 C ATOM 196 CD ARG A 10 3.498 -1.579 -6.151 1.00 0.00 C ATOM 197 NE ARG A 10 4.122 -1.214 -4.859 1.00 0.00 N ATOM 198 CZ ARG A 10 3.485 -1.248 -3.681 1.00 0.00 C ATOM 199 NH1 ARG A 10 2.202 -1.630 -3.624 1.00 0.00 N ATOM 200 NH2 ARG A 10 4.131 -0.900 -2.560 1.00 0.00 N ATOM 0 H ARG A 10 7.122 -3.746 -7.051 1.00 0.00 H new ATOM 0 HA ARG A 10 5.301 -4.158 -4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.249 -2.856 -7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.337 -4.282 -7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.511 -3.369 -6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.304 -3.545 -5.286 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.085 -1.173 -6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.503 -1.139 -6.221 1.00 0.00 H new ATOM 0 HE ARG A 10 5.098 -0.918 -4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.710 -1.895 -4.478 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.717 -1.656 -2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.108 -0.609 -2.604 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.646 -0.926 -1.663 1.00 0.00 H new ATOM 214 N GLU A 11 5.749 -6.698 -6.987 1.00 0.00 N ATOM 215 CA GLU A 11 5.456 -8.105 -7.200 1.00 0.00 C ATOM 216 C GLU A 11 5.901 -8.929 -5.990 1.00 0.00 C ATOM 217 O GLU A 11 5.143 -9.755 -5.485 1.00 0.00 O ATOM 218 CB GLU A 11 6.116 -8.614 -8.483 1.00 0.00 C ATOM 219 CG GLU A 11 5.083 -8.789 -9.598 1.00 0.00 C ATOM 220 CD GLU A 11 5.715 -9.433 -10.834 1.00 0.00 C ATOM 221 OE1 GLU A 11 6.913 -9.163 -11.065 1.00 0.00 O ATOM 222 OE2 GLU A 11 4.985 -10.181 -11.520 1.00 0.00 O ATOM 0 H GLU A 11 6.517 -6.332 -7.550 1.00 0.00 H new ATOM 0 HA GLU A 11 4.378 -8.218 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.887 -7.913 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.612 -9.565 -8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.259 -9.408 -9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.662 -7.820 -9.864 1.00 0.00 H new ATOM 229 N ALA A 12 7.128 -8.675 -5.560 1.00 0.00 N ATOM 230 CA ALA A 12 7.683 -9.383 -4.419 1.00 0.00 C ATOM 231 C ALA A 12 7.027 -8.868 -3.137 1.00 0.00 C ATOM 232 O ALA A 12 6.787 -9.637 -2.206 1.00 0.00 O ATOM 233 CB ALA A 12 9.204 -9.214 -4.404 1.00 0.00 C ATOM 0 H ALA A 12 7.754 -7.988 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 12 7.474 -10.450 -4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.621 -9.745 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.624 -9.621 -5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.452 -8.155 -4.330 1.00 0.00 H new ATOM 239 N VAL A 13 6.754 -7.572 -3.128 1.00 0.00 N ATOM 240 CA VAL A 13 6.130 -6.946 -1.975 1.00 0.00 C ATOM 241 C VAL A 13 4.717 -7.506 -1.799 1.00 0.00 C ATOM 242 O VAL A 13 4.280 -7.756 -0.676 1.00 0.00 O ATOM 243 CB VAL A 13 6.154 -5.424 -2.129 1.00 0.00 C ATOM 244 CG1 VAL A 13 5.399 -4.745 -0.984 1.00 0.00 C ATOM 245 CG2 VAL A 13 7.590 -4.905 -2.223 1.00 0.00 C ATOM 0 H VAL A 13 6.954 -6.938 -3.901 1.00 0.00 H new ATOM 0 HA VAL A 13 6.687 -7.177 -1.067 1.00 0.00 H new ATOM 0 HB VAL A 13 5.646 -5.173 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.431 -3.664 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.362 -5.080 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.866 -5.007 -0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.579 -3.821 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.134 -5.173 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.082 -5.351 -3.087 1.00 0.00 H new ATOM 255 N LEU A 14 4.042 -7.689 -2.924 1.00 0.00 N ATOM 256 CA LEU A 14 2.688 -8.216 -2.907 1.00 0.00 C ATOM 257 C LEU A 14 2.685 -9.581 -2.216 1.00 0.00 C ATOM 258 O LEU A 14 1.801 -9.871 -1.412 1.00 0.00 O ATOM 259 CB LEU A 14 2.106 -8.241 -4.322 1.00 0.00 C ATOM 260 CG LEU A 14 1.347 -6.986 -4.758 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.154 -7.138 -4.506 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.919 -5.738 -4.083 1.00 0.00 C ATOM 0 H LEU A 14 4.407 -7.482 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 14 2.032 -7.565 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.921 -8.411 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.433 -9.095 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 14 1.481 -6.861 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.670 -6.232 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.533 -7.990 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.330 -7.301 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.362 -4.860 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.835 -5.839 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.968 -5.625 -4.357 1.00 0.00 H new ATOM 274 N SER A 15 3.683 -10.382 -2.556 1.00 0.00 N ATOM 275 CA SER A 15 3.807 -11.710 -1.978 1.00 0.00 C ATOM 276 C SER A 15 4.089 -11.603 -0.478 1.00 0.00 C ATOM 277 O SER A 15 3.596 -12.410 0.309 1.00 0.00 O ATOM 278 CB SER A 15 4.911 -12.511 -2.670 1.00 0.00 C ATOM 279 OG SER A 15 4.402 -13.676 -3.314 1.00 0.00 O ATOM 0 H SER A 15 4.414 -10.138 -3.224 1.00 0.00 H new ATOM 0 HA SER A 15 2.865 -12.238 -2.128 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.411 -11.880 -3.405 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.662 -12.802 -1.936 1.00 0.00 H new ATOM 0 HG SER A 15 5.138 -14.159 -3.745 1.00 0.00 H new ATOM 285 N LEU A 16 4.881 -10.601 -0.126 1.00 0.00 N ATOM 286 CA LEU A 16 5.234 -10.379 1.265 1.00 0.00 C ATOM 287 C LEU A 16 4.047 -9.746 1.994 1.00 0.00 C ATOM 288 O LEU A 16 3.796 -10.048 3.159 1.00 0.00 O ATOM 289 CB LEU A 16 6.524 -9.562 1.367 1.00 0.00 C ATOM 290 CG LEU A 16 6.575 -8.525 2.491 1.00 0.00 C ATOM 291 CD1 LEU A 16 7.979 -7.932 2.626 1.00 0.00 C ATOM 292 CD2 LEU A 16 5.512 -7.444 2.288 1.00 0.00 C ATOM 0 H LEU A 16 5.288 -9.934 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 16 5.444 -11.327 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.358 -10.252 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.681 -9.048 0.419 1.00 0.00 H new ATOM 0 HG LEU A 16 6.347 -9.028 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.988 -7.198 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.690 -8.727 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.261 -7.448 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.570 -6.720 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.684 -6.938 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.523 -7.903 2.281 1.00 0.00 H new ATOM 304 N CYS A 17 3.347 -8.879 1.276 1.00 0.00 N ATOM 305 CA CYS A 17 2.192 -8.201 1.840 1.00 0.00 C ATOM 306 C CYS A 17 1.208 -9.261 2.338 1.00 0.00 C ATOM 307 O CYS A 17 0.638 -9.125 3.419 1.00 0.00 O ATOM 308 CB CYS A 17 1.545 -7.252 0.829 1.00 0.00 C ATOM 309 SG CYS A 17 0.073 -8.042 0.082 1.00 0.00 S ATOM 0 H CYS A 17 3.558 -8.631 0.309 1.00 0.00 H new ATOM 0 HA CYS A 17 2.506 -7.577 2.677 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.259 -6.323 1.322 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.263 -6.992 0.051 1.00 0.00 H new ATOM 0 HG CYS A 17 0.451 -8.992 -0.720 1.00 0.00 H new ATOM 315 N ALA A 18 1.040 -10.294 1.526 1.00 0.00 N ATOM 316 CA ALA A 18 0.135 -11.378 1.871 1.00 0.00 C ATOM 317 C ALA A 18 0.728 -12.183 3.028 1.00 0.00 C ATOM 318 O ALA A 18 -0.005 -12.704 3.867 1.00 0.00 O ATOM 319 CB ALA A 18 -0.126 -12.239 0.634 1.00 0.00 C ATOM 0 H ALA A 18 1.515 -10.404 0.630 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.826 -10.985 2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.805 -13.052 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.575 -11.626 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.816 -12.653 0.274 1.00 0.00 H new ATOM 325 N ARG A 19 2.051 -12.261 3.036 1.00 0.00 N ATOM 326 CA ARG A 19 2.751 -12.994 4.076 1.00 0.00 C ATOM 327 C ARG A 19 2.543 -12.320 5.434 1.00 0.00 C ATOM 328 O ARG A 19 2.734 -12.943 6.477 1.00 0.00 O ATOM 329 CB ARG A 19 4.250 -13.075 3.779 1.00 0.00 C ATOM 330 CG ARG A 19 4.555 -14.213 2.803 1.00 0.00 C ATOM 331 CD ARG A 19 6.058 -14.497 2.745 1.00 0.00 C ATOM 332 NE ARG A 19 6.291 -15.937 2.496 1.00 0.00 N ATOM 333 CZ ARG A 19 7.428 -16.577 2.799 1.00 0.00 C ATOM 334 NH1 ARG A 19 8.443 -15.909 3.364 1.00 0.00 N ATOM 335 NH2 ARG A 19 7.551 -17.886 2.538 1.00 0.00 N ATOM 0 H ARG A 19 2.656 -11.828 2.338 1.00 0.00 H new ATOM 0 HA ARG A 19 2.342 -14.004 4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.593 -12.129 3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.800 -13.230 4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.023 -15.113 3.110 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.192 -13.952 1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.518 -13.904 1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.529 -14.201 3.682 1.00 0.00 H new ATOM 0 HE ARG A 19 5.539 -16.476 2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.350 -14.913 3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.309 -16.397 3.595 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.779 -18.395 2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.417 -18.373 2.769 1.00 0.00 H new ATOM 349 N HIS A 20 2.153 -11.055 5.376 1.00 0.00 N ATOM 350 CA HIS A 20 1.916 -10.289 6.588 1.00 0.00 C ATOM 351 C HIS A 20 0.436 -10.371 6.966 1.00 0.00 C ATOM 352 O HIS A 20 0.090 -10.340 8.146 1.00 0.00 O ATOM 353 CB HIS A 20 2.408 -8.850 6.426 1.00 0.00 C ATOM 354 CG HIS A 20 3.900 -8.687 6.598 1.00 0.00 C ATOM 355 ND1 HIS A 20 4.499 -8.538 7.837 1.00 0.00 N ATOM 356 CD2 HIS A 20 4.905 -8.654 5.677 1.00 0.00 C ATOM 357 CE1 HIS A 20 5.807 -8.419 7.657 1.00 0.00 C ATOM 358 NE2 HIS A 20 6.056 -8.491 6.318 1.00 0.00 N ATOM 0 H HIS A 20 1.995 -10.541 4.509 1.00 0.00 H new ATOM 0 HA HIS A 20 2.489 -10.717 7.411 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.125 -8.490 5.437 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.898 -8.219 7.153 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.785 -8.745 4.608 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.546 -8.288 8.434 1.00 0.00 H new ATOM 0 HE2 HIS A 20 6.976 -8.430 5.881 1.00 0.00 H new ATOM 366 N GLY A 21 -0.399 -10.473 5.941 1.00 0.00 N ATOM 367 CA GLY A 21 -1.834 -10.559 6.151 1.00 0.00 C ATOM 368 C GLY A 21 -2.589 -9.709 5.127 1.00 0.00 C ATOM 369 O GLY A 21 -3.800 -9.856 4.966 1.00 0.00 O ATOM 0 H GLY A 21 -0.109 -10.498 4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.155 -11.598 6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.079 -10.223 7.159 1.00 0.00 H new ATOM 373 N ALA A 22 -1.844 -8.839 4.463 1.00 0.00 N ATOM 374 CA ALA A 22 -2.428 -7.965 3.459 1.00 0.00 C ATOM 375 C ALA A 22 -2.965 -8.811 2.303 1.00 0.00 C ATOM 376 O ALA A 22 -2.192 -9.350 1.512 1.00 0.00 O ATOM 377 CB ALA A 22 -1.384 -6.945 3.000 1.00 0.00 C ATOM 0 H ALA A 22 -0.840 -8.720 4.600 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.266 -7.407 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.822 -6.290 2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.057 -6.350 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.528 -7.468 2.573 1.00 0.00 H new ATOM 383 N VAL A 23 -4.285 -8.902 2.242 1.00 0.00 N ATOM 384 CA VAL A 23 -4.935 -9.673 1.195 1.00 0.00 C ATOM 385 C VAL A 23 -5.429 -8.725 0.101 1.00 0.00 C ATOM 386 O VAL A 23 -5.273 -9.006 -1.086 1.00 0.00 O ATOM 387 CB VAL A 23 -6.052 -10.530 1.794 1.00 0.00 C ATOM 388 CG1 VAL A 23 -5.477 -11.664 2.646 1.00 0.00 C ATOM 389 CG2 VAL A 23 -7.025 -9.673 2.606 1.00 0.00 C ATOM 0 H VAL A 23 -4.923 -8.455 2.901 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.228 -10.362 0.732 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.608 -10.979 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.292 -12.258 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.844 -12.299 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.885 -11.244 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.809 -10.307 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.488 -9.182 3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.472 -8.918 1.959 1.00 0.00 H new ATOM 399 N ARG A 24 -6.017 -7.621 0.540 1.00 0.00 N ATOM 400 CA ARG A 24 -6.535 -6.630 -0.388 1.00 0.00 C ATOM 401 C ARG A 24 -5.433 -5.646 -0.784 1.00 0.00 C ATOM 402 O ARG A 24 -5.349 -4.549 -0.236 1.00 0.00 O ATOM 403 CB ARG A 24 -7.702 -5.857 0.229 1.00 0.00 C ATOM 404 CG ARG A 24 -9.038 -6.318 -0.359 1.00 0.00 C ATOM 405 CD ARG A 24 -9.170 -5.888 -1.822 1.00 0.00 C ATOM 406 NE ARG A 24 -8.815 -7.014 -2.714 1.00 0.00 N ATOM 407 CZ ARG A 24 -9.612 -8.065 -2.950 1.00 0.00 C ATOM 408 NH1 ARG A 24 -10.813 -8.141 -2.362 1.00 0.00 N ATOM 409 NH2 ARG A 24 -9.207 -9.040 -3.775 1.00 0.00 N ATOM 0 H ARG A 24 -6.146 -7.391 1.525 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.890 -7.158 -1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.707 -6.001 1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.571 -4.790 0.050 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.117 -7.403 -0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.859 -5.899 0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.190 -5.562 -2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.518 -5.037 -2.020 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.907 -6.989 -3.178 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.121 -7.399 -1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.419 -8.941 -2.542 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.292 -8.982 -4.223 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.813 -9.840 -3.955 1.00 0.00 H new ATOM 423 N VAL A 25 -4.615 -6.075 -1.734 1.00 0.00 N ATOM 424 CA VAL A 25 -3.521 -5.245 -2.211 1.00 0.00 C ATOM 425 C VAL A 25 -4.001 -4.410 -3.400 1.00 0.00 C ATOM 426 O VAL A 25 -4.310 -4.952 -4.460 1.00 0.00 O ATOM 427 CB VAL A 25 -2.309 -6.118 -2.544 1.00 0.00 C ATOM 428 CG1 VAL A 25 -1.014 -5.463 -2.060 1.00 0.00 C ATOM 429 CG2 VAL A 25 -2.467 -7.522 -1.956 1.00 0.00 C ATOM 0 H VAL A 25 -4.688 -6.986 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.201 -4.551 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.251 -6.214 -3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.168 -6.103 -2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.892 -4.495 -2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.058 -5.323 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.592 -8.122 -2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.562 -7.454 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.360 -7.991 -2.369 1.00 0.00 H new ATOM 439 N ARG A 26 -4.049 -3.104 -3.183 1.00 0.00 N ATOM 440 CA ARG A 26 -4.485 -2.188 -4.223 1.00 0.00 C ATOM 441 C ARG A 26 -3.825 -0.820 -4.038 1.00 0.00 C ATOM 442 O ARG A 26 -3.481 -0.439 -2.920 1.00 0.00 O ATOM 443 CB ARG A 26 -6.006 -2.019 -4.206 1.00 0.00 C ATOM 444 CG ARG A 26 -6.688 -3.110 -5.034 1.00 0.00 C ATOM 445 CD ARG A 26 -7.772 -3.819 -4.219 1.00 0.00 C ATOM 446 NE ARG A 26 -9.025 -3.898 -5.004 1.00 0.00 N ATOM 447 CZ ARG A 26 -9.302 -4.874 -5.880 1.00 0.00 C ATOM 448 NH1 ARG A 26 -8.418 -5.859 -6.088 1.00 0.00 N ATOM 449 NH2 ARG A 26 -10.464 -4.864 -6.548 1.00 0.00 N ATOM 0 H ARG A 26 -3.793 -2.658 -2.302 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.188 -2.611 -5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.368 -2.057 -3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.271 -1.038 -4.601 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.129 -2.670 -5.928 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.946 -3.835 -5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.439 -4.821 -3.949 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.950 -3.280 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.721 -3.164 -4.870 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.534 -5.866 -5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.629 -6.601 -6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.137 -4.114 -6.390 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.675 -5.606 -7.215 1.00 0.00 H new ATOM 463 N VAL A 27 -3.668 -0.119 -5.151 1.00 0.00 N ATOM 464 CA VAL A 27 -3.056 1.198 -5.126 1.00 0.00 C ATOM 465 C VAL A 27 -4.143 2.265 -5.274 1.00 0.00 C ATOM 466 O VAL A 27 -4.883 2.269 -6.256 1.00 0.00 O ATOM 467 CB VAL A 27 -1.974 1.293 -6.204 1.00 0.00 C ATOM 468 CG1 VAL A 27 -1.172 2.589 -6.063 1.00 0.00 C ATOM 469 CG2 VAL A 27 -1.054 0.072 -6.166 1.00 0.00 C ATOM 0 H VAL A 27 -3.954 -0.439 -6.076 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.560 1.370 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.469 1.309 -7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.410 2.632 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.841 3.444 -6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.693 2.616 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.294 0.165 -6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.571 0.011 -5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.640 -0.831 -6.338 1.00 0.00 H new ATOM 479 N PHE A 28 -4.205 3.143 -4.284 1.00 0.00 N ATOM 480 CA PHE A 28 -5.189 4.212 -4.292 1.00 0.00 C ATOM 481 C PHE A 28 -4.516 5.578 -4.146 1.00 0.00 C ATOM 482 O PHE A 28 -3.652 5.760 -3.289 1.00 0.00 O ATOM 483 CB PHE A 28 -6.111 3.980 -3.093 1.00 0.00 C ATOM 484 CG PHE A 28 -5.597 4.588 -1.786 1.00 0.00 C ATOM 485 CD1 PHE A 28 -5.804 5.906 -1.522 1.00 0.00 C ATOM 486 CD2 PHE A 28 -4.934 3.811 -0.889 1.00 0.00 C ATOM 487 CE1 PHE A 28 -5.328 6.470 -0.310 1.00 0.00 C ATOM 488 CE2 PHE A 28 -4.458 4.375 0.324 1.00 0.00 C ATOM 489 CZ PHE A 28 -4.665 5.693 0.588 1.00 0.00 C ATOM 0 H PHE A 28 -3.590 3.136 -3.471 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.737 4.206 -5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.092 4.399 -3.316 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.247 2.907 -2.954 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.331 6.523 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.769 2.765 -1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.492 7.517 -0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.932 3.758 1.037 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.303 6.122 1.510 1.00 0.00 H new ATOM 499 N GLY A 29 -4.937 6.504 -4.995 1.00 0.00 N ATOM 500 CA GLY A 29 -4.386 7.848 -4.971 1.00 0.00 C ATOM 501 C GLY A 29 -3.762 8.209 -6.321 1.00 0.00 C ATOM 502 O GLY A 29 -4.104 7.619 -7.344 1.00 0.00 O ATOM 0 H GLY A 29 -5.654 6.350 -5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.172 8.563 -4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.633 7.922 -4.187 1.00 0.00 H new ATOM 506 N SER A 30 -2.857 9.176 -6.279 1.00 0.00 N ATOM 507 CA SER A 30 -2.183 9.622 -7.486 1.00 0.00 C ATOM 508 C SER A 30 -1.172 8.567 -7.941 1.00 0.00 C ATOM 509 O SER A 30 -0.898 8.439 -9.133 1.00 0.00 O ATOM 510 CB SER A 30 -1.484 10.965 -7.261 1.00 0.00 C ATOM 511 OG SER A 30 -2.043 11.998 -8.067 1.00 0.00 O ATOM 0 H SER A 30 -2.575 9.663 -5.428 1.00 0.00 H new ATOM 0 HA SER A 30 -2.932 9.758 -8.266 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.562 11.243 -6.210 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.422 10.864 -7.486 1.00 0.00 H new ATOM 0 HG SER A 30 -1.572 12.839 -7.894 1.00 0.00 H new ATOM 517 N VAL A 31 -0.645 7.839 -6.967 1.00 0.00 N ATOM 518 CA VAL A 31 0.329 6.800 -7.253 1.00 0.00 C ATOM 519 C VAL A 31 -0.279 5.792 -8.230 1.00 0.00 C ATOM 520 O VAL A 31 0.344 5.439 -9.230 1.00 0.00 O ATOM 521 CB VAL A 31 0.805 6.156 -5.949 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.943 5.167 -6.209 1.00 0.00 C ATOM 523 CG2 VAL A 31 1.225 7.221 -4.933 1.00 0.00 C ATOM 0 H VAL A 31 -0.874 7.948 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 31 1.211 7.225 -7.731 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.031 5.600 -5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.262 4.724 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.596 4.381 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.782 5.690 -6.667 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.559 6.737 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.039 7.817 -5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.376 7.869 -4.713 1.00 0.00 H new ATOM 533 N ALA A 32 -1.488 5.358 -7.907 1.00 0.00 N ATOM 534 CA ALA A 32 -2.187 4.397 -8.744 1.00 0.00 C ATOM 535 C ALA A 32 -2.402 5.000 -10.133 1.00 0.00 C ATOM 536 O ALA A 32 -2.417 4.280 -11.131 1.00 0.00 O ATOM 537 CB ALA A 32 -3.501 3.996 -8.072 1.00 0.00 C ATOM 0 H ALA A 32 -2.002 5.654 -7.077 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.594 3.491 -8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.025 3.275 -8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.291 3.547 -7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.124 4.880 -7.936 1.00 0.00 H new ATOM 543 N ARG A 33 -2.565 6.315 -10.154 1.00 0.00 N ATOM 544 CA ARG A 33 -2.779 7.023 -11.405 1.00 0.00 C ATOM 545 C ARG A 33 -1.446 7.256 -12.118 1.00 0.00 C ATOM 546 O ARG A 33 -1.421 7.593 -13.301 1.00 0.00 O ATOM 547 CB ARG A 33 -3.464 8.370 -11.165 1.00 0.00 C ATOM 548 CG ARG A 33 -4.943 8.310 -11.553 1.00 0.00 C ATOM 549 CD ARG A 33 -5.555 9.712 -11.594 1.00 0.00 C ATOM 550 NE ARG A 33 -4.945 10.499 -12.689 1.00 0.00 N ATOM 551 CZ ARG A 33 -5.521 11.568 -13.256 1.00 0.00 C ATOM 552 NH1 ARG A 33 -6.723 11.984 -12.836 1.00 0.00 N ATOM 553 NH2 ARG A 33 -4.893 12.221 -14.244 1.00 0.00 N ATOM 0 H ARG A 33 -2.553 6.909 -9.325 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.425 6.406 -12.029 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.371 8.647 -10.115 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.963 9.145 -11.745 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.048 7.835 -12.528 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.486 7.693 -10.837 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.633 9.643 -11.741 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.395 10.215 -10.641 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.029 10.210 -13.033 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.201 11.487 -12.084 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.161 12.798 -13.268 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.978 11.904 -14.564 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.331 13.035 -14.676 1.00 0.00 H new ATOM 567 N GLY A 34 -0.369 7.067 -11.369 1.00 0.00 N ATOM 568 CA GLY A 34 0.964 7.252 -11.915 1.00 0.00 C ATOM 569 C GLY A 34 1.525 8.625 -11.537 1.00 0.00 C ATOM 570 O GLY A 34 2.117 9.308 -12.371 1.00 0.00 O ATOM 0 H GLY A 34 -0.393 6.788 -10.388 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.625 6.470 -11.543 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.933 7.154 -13.000 1.00 0.00 H new ATOM 574 N GLU A 35 1.319 8.987 -10.279 1.00 0.00 N ATOM 575 CA GLU A 35 1.797 10.266 -9.781 1.00 0.00 C ATOM 576 C GLU A 35 2.412 10.097 -8.390 1.00 0.00 C ATOM 577 O GLU A 35 1.781 9.542 -7.492 1.00 0.00 O ATOM 578 CB GLU A 35 0.672 11.301 -9.761 1.00 0.00 C ATOM 579 CG GLU A 35 0.529 11.983 -11.123 1.00 0.00 C ATOM 580 CD GLU A 35 1.363 13.265 -11.185 1.00 0.00 C ATOM 581 OE1 GLU A 35 1.216 14.083 -10.251 1.00 0.00 O ATOM 582 OE2 GLU A 35 2.128 13.397 -12.164 1.00 0.00 O ATOM 0 H GLU A 35 0.828 8.417 -9.590 1.00 0.00 H new ATOM 0 HA GLU A 35 2.570 10.632 -10.457 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.267 10.817 -9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.875 12.050 -8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.847 11.300 -11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.519 12.218 -11.308 1.00 0.00 H new ATOM 589 N ALA A 36 3.636 10.585 -8.256 1.00 0.00 N ATOM 590 CA ALA A 36 4.344 10.496 -6.990 1.00 0.00 C ATOM 591 C ALA A 36 5.765 11.036 -7.165 1.00 0.00 C ATOM 592 O ALA A 36 6.502 10.581 -8.038 1.00 0.00 O ATOM 593 CB ALA A 36 4.327 9.047 -6.497 1.00 0.00 C ATOM 0 H ALA A 36 4.156 11.044 -9.004 1.00 0.00 H new ATOM 0 HA ALA A 36 3.852 11.105 -6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.858 8.979 -5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.296 8.721 -6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.815 8.407 -7.232 1.00 0.00 H new ATOM 599 N ARG A 37 6.106 11.999 -6.321 1.00 0.00 N ATOM 600 CA ARG A 37 7.425 12.605 -6.372 1.00 0.00 C ATOM 601 C ARG A 37 8.244 12.198 -5.145 1.00 0.00 C ATOM 602 O ARG A 37 7.796 11.386 -4.337 1.00 0.00 O ATOM 603 CB ARG A 37 7.327 14.131 -6.427 1.00 0.00 C ATOM 604 CG ARG A 37 6.324 14.655 -5.398 1.00 0.00 C ATOM 605 CD ARG A 37 4.910 14.693 -5.980 1.00 0.00 C ATOM 606 NE ARG A 37 4.326 16.041 -5.803 1.00 0.00 N ATOM 607 CZ ARG A 37 3.183 16.446 -6.374 1.00 0.00 C ATOM 608 NH1 ARG A 37 2.495 15.609 -7.163 1.00 0.00 N ATOM 609 NH2 ARG A 37 2.729 17.687 -6.157 1.00 0.00 N ATOM 0 H ARG A 37 5.492 12.374 -5.598 1.00 0.00 H new ATOM 0 HA ARG A 37 7.919 12.250 -7.277 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.308 14.569 -6.239 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.024 14.443 -7.426 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.340 14.019 -4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.616 15.655 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.937 14.435 -7.039 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.285 13.949 -5.487 1.00 0.00 H new ATOM 0 HE ARG A 37 4.825 16.704 -5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.841 14.664 -7.329 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.625 15.917 -7.598 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.253 18.324 -5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.859 17.995 -6.592 1.00 0.00 H new ATOM 623 N GLU A 38 9.429 12.781 -5.045 1.00 0.00 N ATOM 624 CA GLU A 38 10.315 12.488 -3.930 1.00 0.00 C ATOM 625 C GLU A 38 9.938 13.339 -2.716 1.00 0.00 C ATOM 626 O GLU A 38 10.561 13.231 -1.661 1.00 0.00 O ATOM 627 CB GLU A 38 11.778 12.707 -4.321 1.00 0.00 C ATOM 628 CG GLU A 38 12.119 11.958 -5.610 1.00 0.00 C ATOM 629 CD GLU A 38 12.837 10.642 -5.307 1.00 0.00 C ATOM 630 OE1 GLU A 38 12.120 9.650 -5.051 1.00 0.00 O ATOM 631 OE2 GLU A 38 14.087 10.656 -5.337 1.00 0.00 O ATOM 0 H GLU A 38 9.797 13.455 -5.717 1.00 0.00 H new ATOM 0 HA GLU A 38 10.198 11.438 -3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.967 13.772 -4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.428 12.366 -3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.206 11.757 -6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.750 12.583 -6.242 1.00 0.00 H new ATOM 638 N ASP A 39 8.921 14.166 -2.905 1.00 0.00 N ATOM 639 CA ASP A 39 8.454 15.035 -1.838 1.00 0.00 C ATOM 640 C ASP A 39 7.041 14.614 -1.426 1.00 0.00 C ATOM 641 O ASP A 39 6.376 15.321 -0.670 1.00 0.00 O ATOM 642 CB ASP A 39 8.397 16.492 -2.300 1.00 0.00 C ATOM 643 CG ASP A 39 8.281 17.523 -1.175 1.00 0.00 C ATOM 644 OD1 ASP A 39 7.128 17.832 -0.805 1.00 0.00 O ATOM 645 OD2 ASP A 39 9.349 17.978 -0.710 1.00 0.00 O ATOM 0 H ASP A 39 8.407 14.253 -3.782 1.00 0.00 H new ATOM 0 HA ASP A 39 9.149 14.948 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.294 16.709 -2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.547 16.612 -2.971 1.00 0.00 H new ATOM 650 N SER A 40 6.626 13.466 -1.940 1.00 0.00 N ATOM 651 CA SER A 40 5.305 12.944 -1.634 1.00 0.00 C ATOM 652 C SER A 40 5.424 11.545 -1.026 1.00 0.00 C ATOM 653 O SER A 40 6.496 10.942 -1.052 1.00 0.00 O ATOM 654 CB SER A 40 4.425 12.906 -2.885 1.00 0.00 C ATOM 655 OG SER A 40 3.409 11.911 -2.793 1.00 0.00 O ATOM 0 H SER A 40 7.181 12.883 -2.566 1.00 0.00 H new ATOM 0 HA SER A 40 4.833 13.609 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.964 13.882 -3.034 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.046 12.710 -3.759 1.00 0.00 H new ATOM 0 HG SER A 40 2.868 11.920 -3.610 1.00 0.00 H new ATOM 661 N ASP A 41 4.308 11.070 -0.493 1.00 0.00 N ATOM 662 CA ASP A 41 4.274 9.753 0.121 1.00 0.00 C ATOM 663 C ASP A 41 3.568 8.775 -0.820 1.00 0.00 C ATOM 664 O ASP A 41 3.070 9.170 -1.873 1.00 0.00 O ATOM 665 CB ASP A 41 3.500 9.781 1.441 1.00 0.00 C ATOM 666 CG ASP A 41 2.389 10.829 1.517 1.00 0.00 C ATOM 667 OD1 ASP A 41 2.726 12.025 1.383 1.00 0.00 O ATOM 668 OD2 ASP A 41 1.226 10.411 1.708 1.00 0.00 O ATOM 0 H ASP A 41 3.421 11.573 -0.473 1.00 0.00 H new ATOM 0 HA ASP A 41 5.301 9.443 0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.063 8.797 1.609 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.204 9.960 2.254 1.00 0.00 H new ATOM 673 N LEU A 42 3.548 7.516 -0.407 1.00 0.00 N ATOM 674 CA LEU A 42 2.912 6.478 -1.200 1.00 0.00 C ATOM 675 C LEU A 42 1.643 6.004 -0.488 1.00 0.00 C ATOM 676 O LEU A 42 1.717 5.383 0.572 1.00 0.00 O ATOM 677 CB LEU A 42 3.903 5.353 -1.504 1.00 0.00 C ATOM 678 CG LEU A 42 3.296 4.044 -2.012 1.00 0.00 C ATOM 679 CD1 LEU A 42 2.385 4.292 -3.216 1.00 0.00 C ATOM 680 CD2 LEU A 42 4.388 3.017 -2.322 1.00 0.00 C ATOM 0 H LEU A 42 3.962 7.191 0.467 1.00 0.00 H new ATOM 0 HA LEU A 42 2.606 6.872 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.614 5.713 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.470 5.140 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 42 2.675 3.626 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.967 3.345 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.576 4.963 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.962 4.745 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.930 2.096 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.054 3.414 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.959 2.809 -1.417 1.00 0.00 H new ATOM 692 N ASP A 43 0.509 6.314 -1.098 1.00 0.00 N ATOM 693 CA ASP A 43 -0.774 5.927 -0.536 1.00 0.00 C ATOM 694 C ASP A 43 -1.124 4.512 -1.001 1.00 0.00 C ATOM 695 O ASP A 43 -1.326 4.279 -2.192 1.00 0.00 O ATOM 696 CB ASP A 43 -1.886 6.867 -1.004 1.00 0.00 C ATOM 697 CG ASP A 43 -1.745 8.318 -0.539 1.00 0.00 C ATOM 698 OD1 ASP A 43 -2.168 8.592 0.605 1.00 0.00 O ATOM 699 OD2 ASP A 43 -1.216 9.121 -1.338 1.00 0.00 O ATOM 0 H ASP A 43 0.452 6.829 -1.977 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.695 5.975 0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.919 6.852 -2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.841 6.479 -0.651 1.00 0.00 H new ATOM 704 N LEU A 44 -1.184 3.605 -0.037 1.00 0.00 N ATOM 705 CA LEU A 44 -1.506 2.219 -0.333 1.00 0.00 C ATOM 706 C LEU A 44 -2.555 1.720 0.662 1.00 0.00 C ATOM 707 O LEU A 44 -2.370 1.831 1.873 1.00 0.00 O ATOM 708 CB LEU A 44 -0.234 1.368 -0.365 1.00 0.00 C ATOM 709 CG LEU A 44 0.738 1.658 -1.511 1.00 0.00 C ATOM 710 CD1 LEU A 44 2.087 0.977 -1.270 1.00 0.00 C ATOM 711 CD2 LEU A 44 0.129 1.264 -2.858 1.00 0.00 C ATOM 0 H LEU A 44 -1.015 3.803 0.949 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.944 2.134 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.295 1.506 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.524 0.319 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 44 0.921 2.732 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.760 1.199 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.521 1.348 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.943 -0.101 -1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.840 1.480 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.101 0.199 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.786 1.832 -3.024 1.00 0.00 H new ATOM 723 N LEU A 45 -3.634 1.181 0.115 1.00 0.00 N ATOM 724 CA LEU A 45 -4.713 0.664 0.940 1.00 0.00 C ATOM 725 C LEU A 45 -4.643 -0.864 0.965 1.00 0.00 C ATOM 726 O LEU A 45 -4.853 -1.516 -0.057 1.00 0.00 O ATOM 727 CB LEU A 45 -6.061 1.210 0.463 1.00 0.00 C ATOM 728 CG LEU A 45 -7.298 0.649 1.166 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.906 -0.506 0.368 1.00 0.00 C ATOM 730 CD2 LEU A 45 -6.975 0.244 2.606 1.00 0.00 C ATOM 0 H LEU A 45 -3.785 1.091 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.603 1.006 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.057 2.293 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.153 1.012 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.049 1.437 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.784 -0.886 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.197 -0.152 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.171 -1.304 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.872 -0.152 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.198 -0.521 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.624 1.115 3.159 1.00 0.00 H new ATOM 742 N VAL A 46 -4.348 -1.392 2.144 1.00 0.00 N ATOM 743 CA VAL A 46 -4.248 -2.831 2.316 1.00 0.00 C ATOM 744 C VAL A 46 -5.207 -3.276 3.421 1.00 0.00 C ATOM 745 O VAL A 46 -5.610 -2.471 4.260 1.00 0.00 O ATOM 746 CB VAL A 46 -2.795 -3.226 2.590 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.062 -3.554 1.288 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.067 -2.128 3.368 1.00 0.00 C ATOM 0 H VAL A 46 -4.175 -0.849 2.990 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.544 -3.346 1.402 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.802 -4.125 3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.032 -3.832 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.562 -4.384 0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.070 -2.680 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.037 -2.433 3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.075 -1.205 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.570 -1.963 4.321 1.00 0.00 H new ATOM 758 N ALA A 47 -5.545 -4.557 3.387 1.00 0.00 N ATOM 759 CA ALA A 47 -6.450 -5.119 4.376 1.00 0.00 C ATOM 760 C ALA A 47 -5.781 -6.320 5.048 1.00 0.00 C ATOM 761 O ALA A 47 -5.397 -7.277 4.378 1.00 0.00 O ATOM 762 CB ALA A 47 -7.774 -5.489 3.705 1.00 0.00 C ATOM 0 H ALA A 47 -5.209 -5.222 2.690 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.672 -4.387 5.153 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.453 -5.910 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.223 -4.597 3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.592 -6.224 2.921 1.00 0.00 H new ATOM 768 N PHE A 48 -5.662 -6.230 6.365 1.00 0.00 N ATOM 769 CA PHE A 48 -5.047 -7.297 7.135 1.00 0.00 C ATOM 770 C PHE A 48 -6.099 -8.288 7.637 1.00 0.00 C ATOM 771 O PHE A 48 -7.030 -7.905 8.344 1.00 0.00 O ATOM 772 CB PHE A 48 -4.364 -6.643 8.338 1.00 0.00 C ATOM 773 CG PHE A 48 -3.209 -5.711 7.967 1.00 0.00 C ATOM 774 CD1 PHE A 48 -3.459 -4.414 7.642 1.00 0.00 C ATOM 775 CD2 PHE A 48 -1.932 -6.179 7.963 1.00 0.00 C ATOM 776 CE1 PHE A 48 -2.387 -3.549 7.298 1.00 0.00 C ATOM 777 CE2 PHE A 48 -0.860 -5.313 7.619 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.110 -4.017 7.293 1.00 0.00 C ATOM 0 H PHE A 48 -5.981 -5.434 6.918 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.339 -7.845 6.513 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.107 -6.078 8.902 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.989 -7.424 8.999 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.473 -4.042 7.646 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.733 -7.209 8.221 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.586 -2.519 7.040 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.154 -5.684 7.616 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.295 -3.359 7.030 1.00 0.00 H new ATOM 788 N GLU A 49 -5.915 -9.542 7.252 1.00 0.00 N ATOM 789 CA GLU A 49 -6.837 -10.591 7.654 1.00 0.00 C ATOM 790 C GLU A 49 -6.497 -11.086 9.062 1.00 0.00 C ATOM 791 O GLU A 49 -5.703 -10.464 9.767 1.00 0.00 O ATOM 792 CB GLU A 49 -6.826 -11.745 6.650 1.00 0.00 C ATOM 793 CG GLU A 49 -5.474 -12.462 6.653 1.00 0.00 C ATOM 794 CD GLU A 49 -5.339 -13.383 5.439 1.00 0.00 C ATOM 795 OE1 GLU A 49 -6.265 -14.200 5.240 1.00 0.00 O ATOM 796 OE2 GLU A 49 -4.314 -13.251 4.737 1.00 0.00 O ATOM 0 H GLU A 49 -5.141 -9.856 6.666 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.845 -10.176 7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.618 -12.453 6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.038 -11.364 5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.669 -11.727 6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.369 -13.044 7.569 1.00 0.00 H new ATOM 803 N GLU A 50 -7.115 -12.199 9.428 1.00 0.00 N ATOM 804 CA GLU A 50 -6.887 -12.784 10.739 1.00 0.00 C ATOM 805 C GLU A 50 -6.851 -11.691 11.809 1.00 0.00 C ATOM 806 O GLU A 50 -7.436 -10.623 11.631 1.00 0.00 O ATOM 807 CB GLU A 50 -5.600 -13.610 10.755 1.00 0.00 C ATOM 808 CG GLU A 50 -5.820 -14.955 11.449 1.00 0.00 C ATOM 809 CD GLU A 50 -4.486 -15.644 11.746 1.00 0.00 C ATOM 810 OE1 GLU A 50 -3.810 -15.187 12.694 1.00 0.00 O ATOM 811 OE2 GLU A 50 -4.172 -16.610 11.019 1.00 0.00 O ATOM 0 H GLU A 50 -7.773 -12.711 8.840 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.714 -13.458 10.963 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.257 -13.776 9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.814 -13.056 11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.370 -14.803 12.378 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.433 -15.598 10.817 1.00 0.00 H new ATOM 818 N GLY A 51 -6.158 -11.995 12.897 1.00 0.00 N ATOM 819 CA GLY A 51 -6.038 -11.052 13.995 1.00 0.00 C ATOM 820 C GLY A 51 -4.687 -10.335 13.957 1.00 0.00 C ATOM 821 O GLY A 51 -3.863 -10.508 14.854 1.00 0.00 O ATOM 0 H GLY A 51 -5.674 -12.881 13.041 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.844 -10.320 13.940 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.148 -11.577 14.944 1.00 0.00 H new ATOM 825 N ARG A 52 -4.501 -9.545 12.910 1.00 0.00 N ATOM 826 CA ARG A 52 -3.264 -8.801 12.743 1.00 0.00 C ATOM 827 C ARG A 52 -3.263 -7.564 13.643 1.00 0.00 C ATOM 828 O ARG A 52 -4.275 -6.873 13.756 1.00 0.00 O ATOM 829 CB ARG A 52 -3.075 -8.366 11.289 1.00 0.00 C ATOM 830 CG ARG A 52 -2.783 -9.569 10.390 1.00 0.00 C ATOM 831 CD ARG A 52 -1.365 -10.096 10.622 1.00 0.00 C ATOM 832 NE ARG A 52 -1.265 -11.499 10.164 1.00 0.00 N ATOM 833 CZ ARG A 52 -0.127 -12.206 10.153 1.00 0.00 C ATOM 834 NH1 ARG A 52 1.015 -11.645 10.574 1.00 0.00 N ATOM 835 NH2 ARG A 52 -0.130 -13.475 9.720 1.00 0.00 N ATOM 0 H ARG A 52 -5.187 -9.404 12.168 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.441 -9.459 13.023 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.972 -7.855 10.939 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.255 -7.651 11.223 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.506 -10.360 10.589 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.902 -9.284 9.345 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.646 -9.477 10.085 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.113 -10.032 11.680 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.116 -11.957 9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.018 -10.680 10.903 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.881 -12.184 10.566 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.999 -13.902 9.399 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.736 -14.013 9.712 1.00 0.00 H new ATOM 849 N THR A 53 -2.117 -7.321 14.261 1.00 0.00 N ATOM 850 CA THR A 53 -1.971 -6.179 15.147 1.00 0.00 C ATOM 851 C THR A 53 -1.165 -5.073 14.463 1.00 0.00 C ATOM 852 O THR A 53 -0.603 -5.282 13.389 1.00 0.00 O ATOM 853 CB THR A 53 -1.342 -6.671 16.452 1.00 0.00 C ATOM 854 OG1 THR A 53 -0.109 -7.257 16.044 1.00 0.00 O ATOM 855 CG2 THR A 53 -2.118 -7.832 17.076 1.00 0.00 C ATOM 0 H THR A 53 -1.280 -7.896 14.166 1.00 0.00 H new ATOM 0 HA THR A 53 -2.938 -5.735 15.383 1.00 0.00 H new ATOM 0 HB THR A 53 -1.290 -5.846 17.163 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.365 -7.601 16.829 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.629 -8.142 17.999 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.137 -7.513 17.295 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.142 -8.670 16.379 1.00 0.00 H new ATOM 863 N LEU A 54 -1.135 -3.919 15.113 1.00 0.00 N ATOM 864 CA LEU A 54 -0.407 -2.779 14.581 1.00 0.00 C ATOM 865 C LEU A 54 1.060 -3.164 14.380 1.00 0.00 C ATOM 866 O LEU A 54 1.711 -2.682 13.455 1.00 0.00 O ATOM 867 CB LEU A 54 -0.604 -1.553 15.475 1.00 0.00 C ATOM 868 CG LEU A 54 -1.038 -0.269 14.766 1.00 0.00 C ATOM 869 CD1 LEU A 54 0.001 0.163 13.729 1.00 0.00 C ATOM 870 CD2 LEU A 54 -2.430 -0.425 14.152 1.00 0.00 C ATOM 0 H LEU A 54 -1.603 -3.749 16.003 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.800 -2.499 13.604 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.349 -1.796 16.232 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.331 -1.357 16.000 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.101 0.526 15.509 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.332 1.078 13.240 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.956 0.343 14.223 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.121 -0.624 12.984 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.714 0.502 13.654 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.418 -1.238 13.426 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.151 -0.651 14.938 1.00 0.00 H new ATOM 882 N LEU A 55 1.537 -4.031 15.262 1.00 0.00 N ATOM 883 CA LEU A 55 2.915 -4.486 15.193 1.00 0.00 C ATOM 884 C LEU A 55 3.185 -5.072 13.806 1.00 0.00 C ATOM 885 O LEU A 55 4.232 -4.815 13.212 1.00 0.00 O ATOM 886 CB LEU A 55 3.217 -5.454 16.339 1.00 0.00 C ATOM 887 CG LEU A 55 4.126 -4.919 17.447 1.00 0.00 C ATOM 888 CD1 LEU A 55 3.420 -4.965 18.804 1.00 0.00 C ATOM 889 CD2 LEU A 55 5.461 -5.665 17.470 1.00 0.00 C ATOM 0 H LEU A 55 0.994 -4.430 16.028 1.00 0.00 H new ATOM 0 HA LEU A 55 3.600 -3.648 15.324 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.272 -5.760 16.788 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.676 -6.349 15.920 1.00 0.00 H new ATOM 0 HG LEU A 55 4.346 -3.873 17.233 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.087 -4.579 19.575 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.518 -4.354 18.766 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.151 -5.995 19.039 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.088 -5.265 18.267 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.282 -6.726 17.647 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.966 -5.537 16.512 1.00 0.00 H new ATOM 901 N ASP A 56 2.223 -5.848 13.328 1.00 0.00 N ATOM 902 CA ASP A 56 2.344 -6.472 12.022 1.00 0.00 C ATOM 903 C ASP A 56 2.237 -5.398 10.937 1.00 0.00 C ATOM 904 O ASP A 56 2.920 -5.471 9.916 1.00 0.00 O ATOM 905 CB ASP A 56 1.225 -7.490 11.792 1.00 0.00 C ATOM 906 CG ASP A 56 1.357 -8.787 12.591 1.00 0.00 C ATOM 907 OD1 ASP A 56 2.217 -9.608 12.204 1.00 0.00 O ATOM 908 OD2 ASP A 56 0.595 -8.930 13.572 1.00 0.00 O ATOM 0 H ASP A 56 1.356 -6.059 13.822 1.00 0.00 H new ATOM 0 HA ASP A 56 3.308 -6.980 11.979 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.272 -7.023 12.041 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.191 -7.737 10.731 1.00 0.00 H new ATOM 913 N HIS A 57 1.373 -4.426 11.194 1.00 0.00 N ATOM 914 CA HIS A 57 1.168 -3.339 10.252 1.00 0.00 C ATOM 915 C HIS A 57 2.483 -2.587 10.042 1.00 0.00 C ATOM 916 O HIS A 57 2.886 -2.337 8.907 1.00 0.00 O ATOM 917 CB HIS A 57 0.030 -2.427 10.714 1.00 0.00 C ATOM 918 CG HIS A 57 -1.344 -3.035 10.563 1.00 0.00 C ATOM 919 ND1 HIS A 57 -2.478 -2.275 10.334 1.00 0.00 N ATOM 920 CD2 HIS A 57 -1.754 -4.335 10.608 1.00 0.00 C ATOM 921 CE1 HIS A 57 -3.518 -3.092 10.249 1.00 0.00 C ATOM 922 NE2 HIS A 57 -3.067 -4.368 10.419 1.00 0.00 N ATOM 0 H HIS A 57 0.807 -4.369 12.041 1.00 0.00 H new ATOM 0 HA HIS A 57 0.863 -3.742 9.287 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.188 -2.168 11.761 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.069 -1.498 10.146 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.118 -5.192 10.770 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.543 -2.799 10.076 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.644 -5.209 10.403 1.00 0.00 H new ATOM 930 N ALA A 58 3.117 -2.245 11.155 1.00 0.00 N ATOM 931 CA ALA A 58 4.378 -1.526 11.107 1.00 0.00 C ATOM 932 C ALA A 58 5.436 -2.404 10.435 1.00 0.00 C ATOM 933 O ALA A 58 6.321 -1.898 9.746 1.00 0.00 O ATOM 934 CB ALA A 58 4.781 -1.108 12.523 1.00 0.00 C ATOM 0 H ALA A 58 2.780 -2.453 12.095 1.00 0.00 H new ATOM 0 HA ALA A 58 4.279 -0.617 10.514 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.727 -0.568 12.488 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.011 -0.462 12.945 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.892 -1.995 13.146 1.00 0.00 H new ATOM 940 N ARG A 59 5.310 -3.704 10.659 1.00 0.00 N ATOM 941 CA ARG A 59 6.244 -4.656 10.084 1.00 0.00 C ATOM 942 C ARG A 59 6.164 -4.621 8.556 1.00 0.00 C ATOM 943 O ARG A 59 7.184 -4.718 7.876 1.00 0.00 O ATOM 944 CB ARG A 59 5.951 -6.077 10.570 1.00 0.00 C ATOM 945 CG ARG A 59 6.411 -6.267 12.017 1.00 0.00 C ATOM 946 CD ARG A 59 7.849 -6.789 12.071 1.00 0.00 C ATOM 947 NE ARG A 59 8.692 -5.869 12.866 1.00 0.00 N ATOM 948 CZ ARG A 59 9.968 -6.114 13.194 1.00 0.00 C ATOM 949 NH1 ARG A 59 10.555 -7.251 12.798 1.00 0.00 N ATOM 950 NH2 ARG A 59 10.657 -5.221 13.918 1.00 0.00 N ATOM 0 H ARG A 59 4.575 -4.120 11.231 1.00 0.00 H new ATOM 0 HA ARG A 59 7.246 -4.373 10.406 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.882 -6.278 10.495 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.457 -6.797 9.926 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.344 -5.319 12.551 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.747 -6.967 12.525 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.867 -7.785 12.513 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.249 -6.881 11.061 1.00 0.00 H new ATOM 0 HE ARG A 59 8.276 -4.994 13.184 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.031 -7.930 12.247 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.526 -7.437 13.048 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.210 -4.355 14.219 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.628 -5.407 14.168 1.00 0.00 H new ATOM 964 N LEU A 60 4.943 -4.483 8.062 1.00 0.00 N ATOM 965 CA LEU A 60 4.717 -4.434 6.628 1.00 0.00 C ATOM 966 C LEU A 60 5.169 -3.074 6.091 1.00 0.00 C ATOM 967 O LEU A 60 5.784 -2.996 5.028 1.00 0.00 O ATOM 968 CB LEU A 60 3.260 -4.769 6.303 1.00 0.00 C ATOM 969 CG LEU A 60 3.037 -5.716 5.122 1.00 0.00 C ATOM 970 CD1 LEU A 60 1.671 -5.475 4.476 1.00 0.00 C ATOM 971 CD2 LEU A 60 4.177 -5.605 4.107 1.00 0.00 C ATOM 0 H LEU A 60 4.099 -4.404 8.630 1.00 0.00 H new ATOM 0 HA LEU A 60 5.315 -5.192 6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.803 -5.211 7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.730 -3.838 6.102 1.00 0.00 H new ATOM 0 HG LEU A 60 3.040 -6.738 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.538 -6.161 3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.885 -5.644 5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.615 -4.448 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.994 -6.288 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.231 -4.584 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.120 -5.864 4.589 1.00 0.00 H new ATOM 983 N LYS A 61 4.847 -2.037 6.850 1.00 0.00 N ATOM 984 CA LYS A 61 5.212 -0.685 6.464 1.00 0.00 C ATOM 985 C LYS A 61 6.737 -0.552 6.467 1.00 0.00 C ATOM 986 O LYS A 61 7.309 0.090 5.589 1.00 0.00 O ATOM 987 CB LYS A 61 4.504 0.337 7.355 1.00 0.00 C ATOM 988 CG LYS A 61 5.442 0.855 8.448 1.00 0.00 C ATOM 989 CD LYS A 61 6.296 2.015 7.932 1.00 0.00 C ATOM 990 CE LYS A 61 7.047 2.694 9.079 1.00 0.00 C ATOM 991 NZ LYS A 61 8.444 2.208 9.144 1.00 0.00 N ATOM 0 H LYS A 61 4.337 -2.106 7.731 1.00 0.00 H new ATOM 0 HA LYS A 61 4.875 -0.475 5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.151 1.171 6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.626 -0.120 7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.858 1.183 9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.088 0.047 8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.008 1.647 7.194 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.661 2.743 7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.038 3.775 8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.541 2.492 10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.867 2.488 10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.455 1.171 9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.993 2.623 8.364 1.00 0.00 H new ATOM 1005 N LEU A 62 7.350 -1.170 7.466 1.00 0.00 N ATOM 1006 CA LEU A 62 8.797 -1.130 7.595 1.00 0.00 C ATOM 1007 C LEU A 62 9.426 -2.023 6.524 1.00 0.00 C ATOM 1008 O LEU A 62 10.498 -1.716 6.006 1.00 0.00 O ATOM 1009 CB LEU A 62 9.217 -1.490 9.021 1.00 0.00 C ATOM 1010 CG LEU A 62 9.576 -2.957 9.265 1.00 0.00 C ATOM 1011 CD1 LEU A 62 10.977 -3.274 8.738 1.00 0.00 C ATOM 1012 CD2 LEU A 62 9.423 -3.321 10.743 1.00 0.00 C ATOM 0 H LEU A 62 6.871 -1.701 8.193 1.00 0.00 H new ATOM 0 HA LEU A 62 9.167 -0.119 7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.077 -0.877 9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.406 -1.218 9.697 1.00 0.00 H new ATOM 0 HG LEU A 62 8.875 -3.577 8.707 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.207 -4.323 8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.015 -3.079 7.666 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.708 -2.646 9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.684 -4.369 10.889 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.085 -2.695 11.342 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.391 -3.158 11.053 1.00 0.00 H new ATOM 1024 N ALA A 63 8.732 -3.112 6.225 1.00 0.00 N ATOM 1025 CA ALA A 63 9.209 -4.052 5.226 1.00 0.00 C ATOM 1026 C ALA A 63 9.065 -3.429 3.836 1.00 0.00 C ATOM 1027 O ALA A 63 9.907 -3.644 2.965 1.00 0.00 O ATOM 1028 CB ALA A 63 8.442 -5.370 5.357 1.00 0.00 C ATOM 0 H ALA A 63 7.843 -3.364 6.657 1.00 0.00 H new ATOM 0 HA ALA A 63 10.265 -4.273 5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.800 -6.075 4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.601 -5.786 6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.378 -5.188 5.205 1.00 0.00 H new ATOM 1034 N LEU A 64 7.993 -2.669 3.671 1.00 0.00 N ATOM 1035 CA LEU A 64 7.728 -2.014 2.402 1.00 0.00 C ATOM 1036 C LEU A 64 8.753 -0.899 2.185 1.00 0.00 C ATOM 1037 O LEU A 64 9.201 -0.673 1.062 1.00 0.00 O ATOM 1038 CB LEU A 64 6.276 -1.535 2.339 1.00 0.00 C ATOM 1039 CG LEU A 64 5.213 -2.629 2.216 1.00 0.00 C ATOM 1040 CD1 LEU A 64 4.209 -2.296 1.112 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.860 -4.000 2.009 1.00 0.00 C ATOM 0 H LEU A 64 7.297 -2.492 4.396 1.00 0.00 H new ATOM 0 HA LEU A 64 7.843 -2.719 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.067 -0.953 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.174 -0.860 1.490 1.00 0.00 H new ATOM 0 HG LEU A 64 4.657 -2.673 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.465 -3.090 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.714 -1.353 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.731 -2.208 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.083 -4.760 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.456 -3.987 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.503 -4.231 2.858 1.00 0.00 H new ATOM 1053 N GLU A 65 9.095 -0.232 3.277 1.00 0.00 N ATOM 1054 CA GLU A 65 10.059 0.854 3.220 1.00 0.00 C ATOM 1055 C GLU A 65 11.441 0.317 2.844 1.00 0.00 C ATOM 1056 O GLU A 65 12.219 1.003 2.182 1.00 0.00 O ATOM 1057 CB GLU A 65 10.108 1.613 4.548 1.00 0.00 C ATOM 1058 CG GLU A 65 9.045 2.713 4.590 1.00 0.00 C ATOM 1059 CD GLU A 65 9.434 3.813 5.580 1.00 0.00 C ATOM 1060 OE1 GLU A 65 10.512 4.411 5.369 1.00 0.00 O ATOM 1061 OE2 GLU A 65 8.645 4.032 6.524 1.00 0.00 O ATOM 0 H GLU A 65 8.722 -0.422 4.207 1.00 0.00 H new ATOM 0 HA GLU A 65 9.742 1.556 2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.951 0.919 5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.096 2.052 4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.920 3.141 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.084 2.285 4.876 1.00 0.00 H new ATOM 1068 N GLY A 66 11.705 -0.906 3.282 1.00 0.00 N ATOM 1069 CA GLY A 66 12.980 -1.543 2.999 1.00 0.00 C ATOM 1070 C GLY A 66 13.073 -1.956 1.529 1.00 0.00 C ATOM 1071 O GLY A 66 14.060 -1.659 0.858 1.00 0.00 O ATOM 0 H GLY A 66 11.058 -1.472 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.794 -0.859 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.101 -2.420 3.635 1.00 0.00 H new ATOM 1075 N LEU A 67 12.031 -2.635 1.072 1.00 0.00 N ATOM 1076 CA LEU A 67 11.982 -3.093 -0.306 1.00 0.00 C ATOM 1077 C LEU A 67 11.948 -1.882 -1.240 1.00 0.00 C ATOM 1078 O LEU A 67 12.660 -1.847 -2.243 1.00 0.00 O ATOM 1079 CB LEU A 67 10.812 -4.058 -0.509 1.00 0.00 C ATOM 1080 CG LEU A 67 11.127 -5.543 -0.315 1.00 0.00 C ATOM 1081 CD1 LEU A 67 12.063 -5.754 0.876 1.00 0.00 C ATOM 1082 CD2 LEU A 67 9.842 -6.363 -0.186 1.00 0.00 C ATOM 0 H LEU A 67 11.214 -2.879 1.632 1.00 0.00 H new ATOM 0 HA LEU A 67 12.880 -3.661 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.015 -3.782 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.422 -3.918 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 67 11.650 -5.900 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.271 -6.818 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.997 -5.219 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.590 -5.376 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.094 -7.415 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.271 -6.012 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.245 -6.248 -1.090 1.00 0.00 H new ATOM 1094 N LEU A 68 11.114 -0.918 -0.878 1.00 0.00 N ATOM 1095 CA LEU A 68 10.979 0.292 -1.671 1.00 0.00 C ATOM 1096 C LEU A 68 12.110 1.259 -1.315 1.00 0.00 C ATOM 1097 O LEU A 68 12.353 2.227 -2.034 1.00 0.00 O ATOM 1098 CB LEU A 68 9.581 0.891 -1.500 1.00 0.00 C ATOM 1099 CG LEU A 68 8.449 0.171 -2.237 1.00 0.00 C ATOM 1100 CD1 LEU A 68 7.147 0.235 -1.436 1.00 0.00 C ATOM 1101 CD2 LEU A 68 8.278 0.724 -3.653 1.00 0.00 C ATOM 0 H LEU A 68 10.525 -0.950 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 68 11.076 0.065 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.342 0.909 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.607 1.927 -1.838 1.00 0.00 H new ATOM 0 HG LEU A 68 8.718 -0.881 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.359 -0.284 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.292 -0.242 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.861 1.277 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.468 0.195 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.041 1.787 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.203 0.584 -4.212 1.00 0.00 H new ATOM 1113 N GLY A 69 12.772 0.963 -0.206 1.00 0.00 N ATOM 1114 CA GLY A 69 13.871 1.795 0.254 1.00 0.00 C ATOM 1115 C GLY A 69 13.476 3.273 0.258 1.00 0.00 C ATOM 1116 O GLY A 69 14.339 4.150 0.251 1.00 0.00 O ATOM 0 H GLY A 69 12.568 0.159 0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.166 1.491 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.737 1.648 -0.391 1.00 0.00 H new ATOM 1120 N VAL A 70 12.172 3.504 0.269 1.00 0.00 N ATOM 1121 CA VAL A 70 11.652 4.861 0.275 1.00 0.00 C ATOM 1122 C VAL A 70 10.402 4.920 1.155 1.00 0.00 C ATOM 1123 O VAL A 70 9.790 3.892 1.440 1.00 0.00 O ATOM 1124 CB VAL A 70 11.396 5.329 -1.160 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.669 5.229 -2.004 1.00 0.00 C ATOM 1126 CG2 VAL A 70 10.251 4.540 -1.798 1.00 0.00 C ATOM 0 H VAL A 70 11.459 2.774 0.274 1.00 0.00 H new ATOM 0 HA VAL A 70 12.382 5.548 0.702 1.00 0.00 H new ATOM 0 HB VAL A 70 11.100 6.377 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.460 5.567 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.446 5.855 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.008 4.193 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.090 4.892 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.505 3.480 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.341 4.685 -1.216 1.00 0.00 H new ATOM 1136 N ARG A 71 10.059 6.134 1.560 1.00 0.00 N ATOM 1137 CA ARG A 71 8.893 6.341 2.402 1.00 0.00 C ATOM 1138 C ARG A 71 7.666 5.669 1.783 1.00 0.00 C ATOM 1139 O ARG A 71 7.403 5.825 0.591 1.00 0.00 O ATOM 1140 CB ARG A 71 8.608 7.832 2.591 1.00 0.00 C ATOM 1141 CG ARG A 71 9.752 8.519 3.341 1.00 0.00 C ATOM 1142 CD ARG A 71 9.322 9.894 3.856 1.00 0.00 C ATOM 1143 NE ARG A 71 10.455 10.843 3.770 1.00 0.00 N ATOM 1144 CZ ARG A 71 10.921 11.355 2.623 1.00 0.00 C ATOM 1145 NH1 ARG A 71 10.355 11.012 1.458 1.00 0.00 N ATOM 1146 NH2 ARG A 71 11.953 12.209 2.641 1.00 0.00 N ATOM 0 H ARG A 71 10.568 6.985 1.321 1.00 0.00 H new ATOM 0 HA ARG A 71 9.103 5.897 3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.470 8.305 1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.677 7.961 3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.069 7.896 4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.612 8.627 2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.481 10.265 3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.981 9.815 4.888 1.00 0.00 H new ATOM 0 HE ARG A 71 10.909 11.125 4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.570 10.361 1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.709 11.402 0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.384 12.469 3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.308 12.599 1.768 1.00 0.00 H new ATOM 1160 N VAL A 72 6.947 4.936 2.620 1.00 0.00 N ATOM 1161 CA VAL A 72 5.754 4.239 2.170 1.00 0.00 C ATOM 1162 C VAL A 72 4.621 4.479 3.170 1.00 0.00 C ATOM 1163 O VAL A 72 4.832 4.417 4.380 1.00 0.00 O ATOM 1164 CB VAL A 72 6.062 2.755 1.961 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.785 1.966 1.669 1.00 0.00 C ATOM 1166 CG2 VAL A 72 7.093 2.561 0.848 1.00 0.00 C ATOM 0 H VAL A 72 7.168 4.809 3.608 1.00 0.00 H new ATOM 0 HA VAL A 72 5.425 4.628 1.206 1.00 0.00 H new ATOM 0 HB VAL A 72 6.490 2.368 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.032 0.914 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.096 2.065 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.315 2.356 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.294 1.497 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.704 2.972 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.016 3.075 1.114 1.00 0.00 H new ATOM 1176 N ASP A 73 3.443 4.749 2.627 1.00 0.00 N ATOM 1177 CA ASP A 73 2.276 4.999 3.456 1.00 0.00 C ATOM 1178 C ASP A 73 1.274 3.857 3.276 1.00 0.00 C ATOM 1179 O ASP A 73 0.719 3.678 2.194 1.00 0.00 O ATOM 1180 CB ASP A 73 1.584 6.303 3.054 1.00 0.00 C ATOM 1181 CG ASP A 73 1.176 7.204 4.221 1.00 0.00 C ATOM 1182 OD1 ASP A 73 0.640 6.651 5.205 1.00 0.00 O ATOM 1183 OD2 ASP A 73 1.408 8.427 4.101 1.00 0.00 O ATOM 0 H ASP A 73 3.272 4.800 1.623 1.00 0.00 H new ATOM 0 HA ASP A 73 2.607 5.071 4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.250 6.863 2.398 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.694 6.061 2.473 1.00 0.00 H new ATOM 1188 N ILE A 74 1.074 3.113 4.354 1.00 0.00 N ATOM 1189 CA ILE A 74 0.149 1.993 4.329 1.00 0.00 C ATOM 1190 C ILE A 74 -1.118 2.366 5.102 1.00 0.00 C ATOM 1191 O ILE A 74 -1.050 3.061 6.115 1.00 0.00 O ATOM 1192 CB ILE A 74 0.830 0.723 4.843 1.00 0.00 C ATOM 1193 CG1 ILE A 74 2.151 0.475 4.112 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.110 -0.480 4.752 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.601 -0.978 4.270 1.00 0.00 C ATOM 0 H ILE A 74 1.537 3.264 5.250 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.154 1.773 3.305 1.00 0.00 H new ATOM 0 HB ILE A 74 1.067 0.866 5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.035 0.710 3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.919 1.142 4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.400 -1.369 5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.999 -0.293 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.401 -0.636 3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.542 -1.127 3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.740 -1.203 5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.842 -1.641 3.854 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.245 1.889 4.594 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.525 2.164 5.223 1.00 0.00 C ATOM 1209 C VAL A 75 -4.305 0.856 5.376 1.00 0.00 C ATOM 1210 O VAL A 75 -4.217 -0.026 4.523 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.285 3.223 4.422 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.745 3.308 4.873 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.599 4.586 4.525 1.00 0.00 C ATOM 0 H VAL A 75 -2.298 1.314 3.754 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.379 2.574 6.222 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.275 2.922 3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.263 4.068 4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.229 2.343 4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.785 3.574 5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.160 5.320 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.563 4.897 5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.585 4.513 4.133 1.00 0.00 H new ATOM 1223 N SER A 76 -5.050 0.773 6.468 1.00 0.00 N ATOM 1224 CA SER A 76 -5.844 -0.412 6.744 1.00 0.00 C ATOM 1225 C SER A 76 -7.330 -0.103 6.548 1.00 0.00 C ATOM 1226 O SER A 76 -7.872 0.792 7.193 1.00 0.00 O ATOM 1227 CB SER A 76 -5.592 -0.927 8.163 1.00 0.00 C ATOM 1228 OG SER A 76 -6.687 -0.653 9.032 1.00 0.00 O ATOM 0 H SER A 76 -5.121 1.507 7.172 1.00 0.00 H new ATOM 0 HA SER A 76 -5.546 -1.193 6.045 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.414 -2.002 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.689 -0.465 8.561 1.00 0.00 H new ATOM 0 HG SER A 76 -6.488 -0.998 9.927 1.00 0.00 H new ATOM 1234 N GLU A 77 -7.946 -0.863 5.653 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.358 -0.681 5.364 1.00 0.00 C ATOM 1236 C GLU A 77 -10.134 -0.414 6.655 1.00 0.00 C ATOM 1237 O GLU A 77 -11.159 0.267 6.637 1.00 0.00 O ATOM 1238 CB GLU A 77 -9.926 -1.894 4.624 1.00 0.00 C ATOM 1239 CG GLU A 77 -9.654 -1.797 3.122 1.00 0.00 C ATOM 1240 CD GLU A 77 -10.558 -2.750 2.337 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -10.542 -3.953 2.676 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -11.243 -2.254 1.417 1.00 0.00 O ATOM 0 H GLU A 77 -7.493 -1.605 5.119 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.467 0.186 4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.481 -2.807 5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.000 -1.961 4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.819 -0.774 2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.609 -2.034 2.922 1.00 0.00 H new ATOM 1249 N ARG A 78 -9.617 -0.963 7.744 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.249 -0.793 9.041 1.00 0.00 C ATOM 1251 C ARG A 78 -10.128 0.661 9.503 1.00 0.00 C ATOM 1252 O ARG A 78 -11.131 1.302 9.815 1.00 0.00 O ATOM 1253 CB ARG A 78 -9.612 -1.708 10.089 1.00 0.00 C ATOM 1254 CG ARG A 78 -10.682 -2.466 10.877 1.00 0.00 C ATOM 1255 CD ARG A 78 -10.062 -3.227 12.051 1.00 0.00 C ATOM 1256 NE ARG A 78 -11.063 -4.140 12.647 1.00 0.00 N ATOM 1257 CZ ARG A 78 -10.775 -5.074 13.564 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -9.515 -5.223 13.996 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -11.747 -5.858 14.050 1.00 0.00 N ATOM 0 H ARG A 78 -8.767 -1.526 7.755 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.301 -1.059 8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.944 -2.417 9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.003 -1.116 10.772 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.430 -1.766 11.248 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.198 -3.164 10.218 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.196 -3.795 11.710 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.705 -2.524 12.804 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.032 -4.053 12.341 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.775 -4.626 13.627 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.296 -5.934 14.694 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.706 -5.744 13.722 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.528 -6.569 14.748 1.00 0.00 H new ATOM 1273 N GLY A 79 -8.893 1.139 9.532 1.00 0.00 N ATOM 1274 CA GLY A 79 -8.628 2.505 9.950 1.00 0.00 C ATOM 1275 C GLY A 79 -9.251 3.507 8.976 1.00 0.00 C ATOM 1276 O GLY A 79 -9.434 4.675 9.315 1.00 0.00 O ATOM 0 H GLY A 79 -8.064 0.604 9.273 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.029 2.667 10.950 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.552 2.669 10.008 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.561 3.013 7.786 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.159 3.851 6.761 1.00 0.00 C ATOM 1282 C LEU A 80 -11.568 4.258 7.200 1.00 0.00 C ATOM 1283 O LEU A 80 -11.991 3.944 8.311 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.117 3.148 5.403 1.00 0.00 C ATOM 1285 CG LEU A 80 -9.129 3.719 4.383 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -9.256 3.002 3.037 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -9.297 5.233 4.245 1.00 0.00 C ATOM 0 H LEU A 80 -9.409 2.043 7.509 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.585 4.769 6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.874 2.098 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.116 3.180 4.969 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.118 3.540 4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.543 3.426 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.048 1.940 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.268 3.128 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.583 5.613 3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.311 5.458 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.117 5.708 5.209 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.255 4.951 6.303 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.607 5.404 6.584 1.00 0.00 C ATOM 1301 C ALA A 81 -14.571 4.772 5.577 1.00 0.00 C ATOM 1302 O ALA A 81 -14.141 4.128 4.621 1.00 0.00 O ATOM 1303 CB ALA A 81 -13.650 6.933 6.552 1.00 0.00 C ATOM 0 H ALA A 81 -11.901 5.210 5.382 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.918 5.090 7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.664 7.273 6.763 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.970 7.332 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.347 7.285 5.566 1.00 0.00 H new ATOM 1309 N PRO A 82 -15.889 4.984 5.834 1.00 0.00 N ATOM 1310 CA PRO A 82 -16.918 4.443 4.961 1.00 0.00 C ATOM 1311 C PRO A 82 -17.007 5.241 3.659 1.00 0.00 C ATOM 1312 O PRO A 82 -17.098 4.662 2.577 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.197 4.497 5.780 1.00 0.00 C ATOM 1314 CG PRO A 82 -17.932 5.489 6.901 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.434 5.741 6.957 1.00 0.00 C ATOM 0 HA PRO A 82 -16.707 3.422 4.644 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.040 4.816 5.167 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.447 3.514 6.179 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.469 6.420 6.721 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.288 5.094 7.852 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.207 6.803 6.866 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.011 5.405 7.904 1.00 0.00 H new ATOM 1323 N ARG A 83 -16.978 6.557 3.805 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.055 7.440 2.654 1.00 0.00 C ATOM 1325 C ARG A 83 -15.698 7.515 1.951 1.00 0.00 C ATOM 1326 O ARG A 83 -15.628 7.803 0.757 1.00 0.00 O ATOM 1327 CB ARG A 83 -17.485 8.849 3.068 1.00 0.00 C ATOM 1328 CG ARG A 83 -16.324 9.611 3.710 1.00 0.00 C ATOM 1329 CD ARG A 83 -16.818 10.501 4.852 1.00 0.00 C ATOM 1330 NE ARG A 83 -16.212 11.847 4.743 1.00 0.00 N ATOM 1331 CZ ARG A 83 -16.375 12.661 3.692 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -17.127 12.272 2.653 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -15.787 13.865 3.680 1.00 0.00 N ATOM 0 H ARG A 83 -16.902 7.034 4.704 1.00 0.00 H new ATOM 0 HA ARG A 83 -17.800 7.031 1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -17.844 9.394 2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.317 8.788 3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.585 8.904 4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.825 10.222 2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -17.905 10.579 4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.559 10.053 5.811 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.634 12.175 5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.575 11.356 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.251 12.892 1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.215 14.161 4.471 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.911 14.485 2.880 1.00 0.00 H new ATOM 1347 N LEU A 84 -14.653 7.250 2.722 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.302 7.284 2.188 1.00 0.00 C ATOM 1349 C LEU A 84 -12.995 5.951 1.502 1.00 0.00 C ATOM 1350 O LEU A 84 -12.501 5.928 0.376 1.00 0.00 O ATOM 1351 CB LEU A 84 -12.302 7.656 3.284 1.00 0.00 C ATOM 1352 CG LEU A 84 -11.870 9.123 3.330 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -12.824 9.949 4.195 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -10.418 9.253 3.793 1.00 0.00 C ATOM 0 H LEU A 84 -14.715 7.011 3.712 1.00 0.00 H new ATOM 0 HA LEU A 84 -13.212 8.061 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.738 7.396 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.412 7.040 3.160 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.922 9.526 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.494 10.988 4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -13.831 9.894 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.828 9.554 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.137 10.306 3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.315 8.827 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.766 8.719 3.102 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.301 4.874 2.210 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.065 3.541 1.684 1.00 0.00 C ATOM 1368 C ARG A 85 -13.705 3.394 0.301 1.00 0.00 C ATOM 1369 O ARG A 85 -13.052 2.959 -0.646 1.00 0.00 O ATOM 1370 CB ARG A 85 -13.635 2.471 2.617 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.452 1.072 2.025 1.00 0.00 C ATOM 1372 CD ARG A 85 -14.552 0.124 2.507 1.00 0.00 C ATOM 1373 NE ARG A 85 -15.744 0.248 1.637 1.00 0.00 N ATOM 1374 CZ ARG A 85 -16.754 -0.632 1.618 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -16.724 -1.705 2.420 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -17.795 -0.438 0.797 1.00 0.00 N ATOM 0 H ARG A 85 -13.710 4.898 3.144 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.987 3.403 1.606 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.139 2.527 3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.694 2.661 2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.467 1.129 0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.477 0.678 2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.189 -0.904 2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.818 0.357 3.538 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.799 1.053 1.014 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -15.932 -1.852 3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -17.493 -2.375 2.405 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -17.818 0.379 0.187 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.564 -1.108 0.782 1.00 0.00 H new ATOM 1390 N GLU A 86 -14.974 3.766 0.230 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.710 3.682 -1.021 1.00 0.00 C ATOM 1392 C GLU A 86 -14.977 4.454 -2.120 1.00 0.00 C ATOM 1393 O GLU A 86 -14.869 3.979 -3.250 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.141 4.196 -0.851 1.00 0.00 C ATOM 1395 CG GLU A 86 -17.955 3.263 0.048 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.049 2.550 -0.749 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.940 3.266 -1.255 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -18.970 1.306 -0.833 1.00 0.00 O ATOM 0 H GLU A 86 -15.512 4.126 1.018 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.768 2.634 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.123 5.197 -0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.621 4.277 -1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.295 2.526 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.405 3.835 0.859 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.492 5.630 -1.751 1.00 0.00 N ATOM 1406 CA GLN A 87 -13.773 6.472 -2.692 1.00 0.00 C ATOM 1407 C GLN A 87 -12.391 5.882 -2.983 1.00 0.00 C ATOM 1408 O GLN A 87 -11.911 5.945 -4.113 1.00 0.00 O ATOM 1409 CB GLN A 87 -13.658 7.905 -2.168 1.00 0.00 C ATOM 1410 CG GLN A 87 -14.846 8.753 -2.627 1.00 0.00 C ATOM 1411 CD GLN A 87 -14.450 10.225 -2.760 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -13.802 10.800 -1.901 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -14.875 10.800 -3.882 1.00 0.00 N ATOM 0 H GLN A 87 -14.583 6.020 -0.813 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.336 6.505 -3.625 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.613 7.895 -1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.729 8.352 -2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.213 8.383 -3.585 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.664 8.656 -1.913 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.413 10.260 -4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.662 11.781 -4.065 1.00 0.00 H new ATOM 1422 N VAL A 88 -11.791 5.321 -1.943 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.474 4.721 -2.073 1.00 0.00 C ATOM 1424 C VAL A 88 -10.549 3.544 -3.048 1.00 0.00 C ATOM 1425 O VAL A 88 -9.737 3.441 -3.965 1.00 0.00 O ATOM 1426 CB VAL A 88 -9.943 4.322 -0.694 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.546 3.706 -0.802 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -9.943 5.518 0.260 1.00 0.00 C ATOM 0 H VAL A 88 -12.193 5.269 -1.007 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.765 5.440 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.612 3.566 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.192 3.431 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.588 2.817 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.862 4.431 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.561 5.208 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.308 6.306 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.960 5.894 0.372 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.532 2.686 -2.816 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.723 1.521 -3.662 1.00 0.00 C ATOM 1440 C LEU A 89 -11.881 1.972 -5.116 1.00 0.00 C ATOM 1441 O LEU A 89 -11.395 1.310 -6.031 1.00 0.00 O ATOM 1442 CB LEU A 89 -12.890 0.673 -3.151 1.00 0.00 C ATOM 1443 CG LEU A 89 -12.790 0.199 -1.700 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.179 -0.009 -1.094 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -11.923 -1.057 -1.592 1.00 0.00 C ATOM 0 H LEU A 89 -12.204 2.775 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.847 0.874 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.808 1.250 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.985 -0.203 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.299 0.980 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.079 -0.346 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.730 0.931 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.719 -0.760 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.868 -1.373 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.362 -1.855 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.920 -0.839 -1.958 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.563 3.096 -5.282 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.791 3.643 -6.609 1.00 0.00 C ATOM 1459 C ARG A 90 -11.459 3.862 -7.329 1.00 0.00 C ATOM 1460 O ARG A 90 -11.413 3.908 -8.557 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.546 4.972 -6.534 1.00 0.00 C ATOM 1462 CG ARG A 90 -14.899 4.874 -7.242 1.00 0.00 C ATOM 1463 CD ARG A 90 -15.976 5.644 -6.475 1.00 0.00 C ATOM 1464 NE ARG A 90 -16.942 6.243 -7.423 1.00 0.00 N ATOM 1465 CZ ARG A 90 -16.616 7.146 -8.357 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -15.348 7.562 -8.474 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -17.559 7.635 -9.175 1.00 0.00 N ATOM 0 H ARG A 90 -12.965 3.642 -4.520 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.395 2.925 -7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.697 5.251 -5.491 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.948 5.760 -6.991 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -14.814 5.271 -8.254 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.191 3.828 -7.334 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -16.495 4.974 -5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.515 6.425 -5.870 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.917 5.950 -7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.630 7.191 -7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.100 8.250 -9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.525 7.319 -9.086 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.311 8.323 -9.886 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.407 3.991 -6.534 1.00 0.00 N ATOM 1482 CA GLU A 91 -9.077 4.203 -7.080 1.00 0.00 C ATOM 1483 C GLU A 91 -8.216 2.955 -6.881 1.00 0.00 C ATOM 1484 O GLU A 91 -7.478 2.555 -7.781 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.416 5.431 -6.451 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.236 6.694 -6.721 1.00 0.00 C ATOM 1487 CD GLU A 91 -8.779 7.378 -8.012 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -8.391 6.637 -8.940 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -8.830 8.627 -8.041 1.00 0.00 O ATOM 0 H GLU A 91 -10.449 3.953 -5.516 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.170 4.389 -8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.313 5.283 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.410 5.553 -6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.293 6.437 -6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.134 7.384 -5.884 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.338 2.373 -5.697 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.579 1.178 -5.369 1.00 0.00 C ATOM 1498 C ALA A 92 -7.517 0.265 -6.595 1.00 0.00 C ATOM 1499 O ALA A 92 -8.543 -0.240 -7.050 1.00 0.00 O ATOM 1500 CB ALA A 92 -8.213 0.487 -4.160 1.00 0.00 C ATOM 0 H ALA A 92 -8.951 2.707 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.555 1.436 -5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.644 -0.409 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.207 1.167 -3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.241 0.211 -4.396 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.304 0.082 -7.096 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.095 -0.761 -8.261 1.00 0.00 C ATOM 1508 C ILE A 93 -5.197 -1.938 -7.879 1.00 0.00 C ATOM 1509 O ILE A 93 -4.132 -1.747 -7.293 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.560 0.067 -9.432 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.233 0.736 -9.069 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.602 1.081 -9.908 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.272 0.731 -10.260 1.00 0.00 C ATOM 0 H ILE A 93 -5.456 0.503 -6.716 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.041 -1.180 -8.603 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.363 -0.607 -10.265 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.415 1.762 -8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.777 0.215 -8.227 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.196 1.656 -10.740 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.499 0.555 -10.234 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.854 1.756 -9.090 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.337 1.212 -9.975 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.073 -0.297 -10.563 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.721 1.274 -11.092 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.671 -3.162 -8.235 1.00 0.00 N ATOM 1526 CA PRO A 94 -4.922 -4.371 -7.935 1.00 0.00 C ATOM 1527 C PRO A 94 -3.726 -4.522 -8.877 1.00 0.00 C ATOM 1528 O PRO A 94 -3.863 -4.371 -10.090 1.00 0.00 O ATOM 1529 CB PRO A 94 -5.930 -5.501 -8.068 1.00 0.00 C ATOM 1530 CG PRO A 94 -7.081 -4.939 -8.886 1.00 0.00 C ATOM 1531 CD PRO A 94 -6.927 -3.427 -8.929 1.00 0.00 C ATOM 0 HA PRO A 94 -4.486 -4.360 -6.936 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.485 -6.365 -8.562 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.273 -5.835 -7.089 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.071 -5.353 -9.894 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.037 -5.213 -8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.897 -3.061 -9.955 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.763 -2.930 -8.438 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.579 -4.819 -8.283 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.360 -4.993 -9.053 1.00 0.00 C ATOM 1541 C LEU A 95 -1.186 -6.473 -9.398 1.00 0.00 C ATOM 1542 O LEU A 95 -1.957 -7.027 -10.179 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.166 -4.390 -8.310 1.00 0.00 C ATOM 1544 CG LEU A 95 1.193 -4.532 -8.998 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.883 -3.173 -9.136 1.00 0.00 C ATOM 1546 CD2 LEU A 95 2.073 -5.549 -8.268 1.00 0.00 C ATOM 0 H LEU A 95 -2.469 -4.943 -7.277 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.425 -4.451 -9.997 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.361 -3.330 -8.150 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.103 -4.855 -7.326 1.00 0.00 H new ATOM 0 HG LEU A 95 1.027 -4.913 -10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.847 -3.303 -9.628 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.258 -2.507 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.036 -2.740 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.033 -5.631 -8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.234 -5.220 -7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.580 -6.521 -8.265 1.00 0.00 H new TER 1558 LEU A 95