USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 655 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 29:sc= 0.0393 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 8 MET CE :methyl 159:sc= -7.19! (180deg=-10.1!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= -0.0318 (180deg=-0.257) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 CYS SG : rot 32:sc= -1.96! USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.593 K(o=-0.59,f=-3!) USER MOD Single : A 38 SER OG : rot -62:sc= 1.15 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0.22 X(o=0.22,f=0) USER MOD Single : A 48 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= -0.0506 (180deg=-0.38) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 170:sc= -0.293 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.0251 USER MOD Single : A 67 SER OG : rot -55:sc= 0.0205 USER MOD Single : A 71 ASN : amide:sc=-0.00318 X(o=-0.0032,f=0) USER MOD Single : A 72 SER OG : rot 110:sc= -0.13 USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.427) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00529) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.712 -22.433 19.734 1.00 0.00 N ATOM 2 CA GLY A 1 -1.705 -21.609 20.377 1.00 0.00 C ATOM 3 C GLY A 1 -1.460 -20.309 19.636 1.00 0.00 C ATOM 4 O GLY A 1 -2.148 -19.315 19.869 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.843 -23.309 20.278 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.612 -21.913 19.693 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.404 -22.668 18.769 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.018 -21.389 21.398 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.771 -22.167 20.443 1.00 0.00 H new ATOM 8 N SER A 2 -0.477 -20.316 18.742 1.00 0.00 N ATOM 9 CA SER A 2 -0.139 -19.126 17.969 1.00 0.00 C ATOM 10 C SER A 2 0.044 -19.471 16.494 1.00 0.00 C ATOM 11 O SER A 2 0.486 -20.568 16.152 1.00 0.00 O ATOM 12 CB SER A 2 1.137 -18.482 18.516 1.00 0.00 C ATOM 13 OG SER A 2 0.865 -17.723 19.682 1.00 0.00 O ATOM 0 H SER A 2 0.099 -21.132 18.535 1.00 0.00 H new ATOM 0 HA SER A 2 -0.962 -18.418 18.060 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.870 -19.256 18.745 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.579 -17.839 17.755 1.00 0.00 H new ATOM 0 HG SER A 2 1.696 -17.323 20.013 1.00 0.00 H new ATOM 19 N SER A 3 -0.300 -18.526 15.625 1.00 0.00 N ATOM 20 CA SER A 3 -0.178 -18.729 14.186 1.00 0.00 C ATOM 21 C SER A 3 0.172 -17.423 13.481 1.00 0.00 C ATOM 22 O SER A 3 -0.504 -16.410 13.654 1.00 0.00 O ATOM 23 CB SER A 3 -1.480 -19.297 13.618 1.00 0.00 C ATOM 24 OG SER A 3 -1.477 -20.713 13.652 1.00 0.00 O ATOM 0 H SER A 3 -0.665 -17.612 15.892 1.00 0.00 H new ATOM 0 HA SER A 3 0.628 -19.442 14.011 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.326 -18.918 14.191 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.612 -18.955 12.591 1.00 0.00 H new ATOM 0 HG SER A 3 -0.918 -21.021 14.395 1.00 0.00 H new ATOM 30 N GLY A 4 1.235 -17.455 12.682 1.00 0.00 N ATOM 31 CA GLY A 4 1.658 -16.268 11.962 1.00 0.00 C ATOM 32 C GLY A 4 1.876 -16.533 10.485 1.00 0.00 C ATOM 33 O GLY A 4 2.223 -17.647 10.093 1.00 0.00 O ATOM 0 H GLY A 4 1.810 -18.282 12.521 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.907 -15.487 12.081 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.582 -15.891 12.401 1.00 0.00 H new ATOM 37 N SER A 5 1.670 -15.508 9.665 1.00 0.00 N ATOM 38 CA SER A 5 1.841 -15.637 8.223 1.00 0.00 C ATOM 39 C SER A 5 3.213 -15.129 7.791 1.00 0.00 C ATOM 40 O SER A 5 3.626 -14.031 8.163 1.00 0.00 O ATOM 41 CB SER A 5 0.744 -14.865 7.487 1.00 0.00 C ATOM 42 OG SER A 5 -0.542 -15.334 7.853 1.00 0.00 O ATOM 0 H SER A 5 1.384 -14.579 9.975 1.00 0.00 H new ATOM 0 HA SER A 5 1.767 -16.694 7.966 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.826 -13.803 7.716 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.880 -14.970 6.411 1.00 0.00 H new ATOM 0 HG SER A 5 -1.226 -14.824 7.371 1.00 0.00 H new ATOM 48 N SER A 6 3.915 -15.937 7.003 1.00 0.00 N ATOM 49 CA SER A 6 5.243 -15.572 6.522 1.00 0.00 C ATOM 50 C SER A 6 5.162 -14.921 5.145 1.00 0.00 C ATOM 51 O SER A 6 4.564 -15.469 4.221 1.00 0.00 O ATOM 52 CB SER A 6 6.144 -16.807 6.462 1.00 0.00 C ATOM 53 OG SER A 6 5.439 -17.929 5.958 1.00 0.00 O ATOM 0 H SER A 6 3.587 -16.849 6.684 1.00 0.00 H new ATOM 0 HA SER A 6 5.670 -14.853 7.221 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.007 -16.601 5.828 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.526 -17.031 7.458 1.00 0.00 H new ATOM 0 HG SER A 6 6.037 -18.705 5.928 1.00 0.00 H new ATOM 59 N GLY A 7 5.770 -13.745 5.017 1.00 0.00 N ATOM 60 CA GLY A 7 5.756 -13.037 3.750 1.00 0.00 C ATOM 61 C GLY A 7 6.807 -11.946 3.684 1.00 0.00 C ATOM 62 O GLY A 7 8.004 -12.230 3.645 1.00 0.00 O ATOM 0 H GLY A 7 6.272 -13.270 5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.922 -13.746 2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.771 -12.598 3.593 1.00 0.00 H new ATOM 66 N MET A 8 6.359 -10.695 3.670 1.00 0.00 N ATOM 67 CA MET A 8 7.270 -9.558 3.608 1.00 0.00 C ATOM 68 C MET A 8 6.716 -8.374 4.393 1.00 0.00 C ATOM 69 O MET A 8 5.580 -8.408 4.865 1.00 0.00 O ATOM 70 CB MET A 8 7.513 -9.152 2.153 1.00 0.00 C ATOM 71 CG MET A 8 6.328 -8.447 1.512 1.00 0.00 C ATOM 72 SD MET A 8 6.811 -7.389 0.134 1.00 0.00 S ATOM 73 CE MET A 8 5.221 -6.728 -0.359 1.00 0.00 C ATOM 0 H MET A 8 5.371 -10.443 3.701 1.00 0.00 H new ATOM 0 HA MET A 8 8.217 -9.857 4.057 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.383 -8.497 2.108 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.754 -10.042 1.571 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.614 -9.192 1.160 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.817 -7.846 2.265 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.369 -5.807 -0.922 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.702 -7.456 -0.983 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.623 -6.519 0.528 1.00 0.00 H new ATOM 83 N GLN A 9 7.525 -7.328 4.528 1.00 0.00 N ATOM 84 CA GLN A 9 7.114 -6.134 5.257 1.00 0.00 C ATOM 85 C GLN A 9 7.067 -4.921 4.333 1.00 0.00 C ATOM 86 O GLN A 9 7.922 -4.758 3.462 1.00 0.00 O ATOM 87 CB GLN A 9 8.071 -5.867 6.420 1.00 0.00 C ATOM 88 CG GLN A 9 7.510 -4.914 7.463 1.00 0.00 C ATOM 89 CD GLN A 9 8.268 -4.972 8.775 1.00 0.00 C ATOM 90 OE1 GLN A 9 9.479 -5.195 8.796 1.00 0.00 O ATOM 91 NE2 GLN A 9 7.558 -4.771 9.878 1.00 0.00 N ATOM 0 H GLN A 9 8.468 -7.283 4.142 1.00 0.00 H new ATOM 0 HA GLN A 9 6.113 -6.306 5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.319 -6.814 6.901 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.001 -5.456 6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.542 -3.896 7.074 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.462 -5.154 7.642 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.556 -4.589 9.814 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.014 -4.798 10.790 1.00 0.00 H new ATOM 100 N LEU A 10 6.063 -4.074 4.528 1.00 0.00 N ATOM 101 CA LEU A 10 5.903 -2.876 3.712 1.00 0.00 C ATOM 102 C LEU A 10 5.692 -1.645 4.587 1.00 0.00 C ATOM 103 O LEU A 10 4.985 -1.699 5.594 1.00 0.00 O ATOM 104 CB LEU A 10 4.723 -3.042 2.752 1.00 0.00 C ATOM 105 CG LEU A 10 4.873 -4.127 1.686 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.680 -4.117 0.743 1.00 0.00 C ATOM 107 CD2 LEU A 10 6.169 -3.939 0.911 1.00 0.00 C ATOM 0 H LEU A 10 5.347 -4.195 5.244 1.00 0.00 H new ATOM 0 HA LEU A 10 6.816 -2.736 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.831 -3.258 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.551 -2.089 2.251 1.00 0.00 H new ATOM 0 HG LEU A 10 4.909 -5.096 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.804 -4.896 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.767 -4.302 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.612 -3.146 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.258 -4.721 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.164 -2.964 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.015 -3.998 1.596 1.00 0.00 H new ATOM 119 N THR A 11 6.309 -0.534 4.196 1.00 0.00 N ATOM 120 CA THR A 11 6.188 0.711 4.944 1.00 0.00 C ATOM 121 C THR A 11 5.536 1.800 4.099 1.00 0.00 C ATOM 122 O THR A 11 6.176 2.390 3.228 1.00 0.00 O ATOM 123 CB THR A 11 7.562 1.209 5.431 1.00 0.00 C ATOM 124 OG1 THR A 11 8.417 0.095 5.707 1.00 0.00 O ATOM 125 CG2 THR A 11 7.415 2.064 6.681 1.00 0.00 C ATOM 0 H THR A 11 6.898 -0.471 3.365 1.00 0.00 H new ATOM 0 HA THR A 11 5.558 0.500 5.808 1.00 0.00 H new ATOM 0 HB THR A 11 8.004 1.818 4.643 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.289 0.420 6.014 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.398 2.404 7.007 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.787 2.927 6.460 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.955 1.474 7.473 1.00 0.00 H new ATOM 133 N VAL A 12 4.260 2.062 4.361 1.00 0.00 N ATOM 134 CA VAL A 12 3.522 3.081 3.625 1.00 0.00 C ATOM 135 C VAL A 12 3.716 4.458 4.249 1.00 0.00 C ATOM 136 O VAL A 12 3.314 4.698 5.388 1.00 0.00 O ATOM 137 CB VAL A 12 2.016 2.759 3.577 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.259 3.856 2.844 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.782 1.407 2.919 1.00 0.00 C ATOM 0 H VAL A 12 3.716 1.582 5.078 1.00 0.00 H new ATOM 0 HA VAL A 12 3.917 3.086 2.609 1.00 0.00 H new ATOM 0 HB VAL A 12 1.639 2.711 4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.197 3.612 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.401 4.805 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.635 3.939 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.713 1.195 2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.173 1.425 1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.292 0.631 3.490 1.00 0.00 H new ATOM 149 N LYS A 13 4.333 5.362 3.496 1.00 0.00 N ATOM 150 CA LYS A 13 4.580 6.717 3.973 1.00 0.00 C ATOM 151 C LYS A 13 3.806 7.736 3.143 1.00 0.00 C ATOM 152 O LYS A 13 3.834 7.698 1.913 1.00 0.00 O ATOM 153 CB LYS A 13 6.077 7.033 3.923 1.00 0.00 C ATOM 154 CG LYS A 13 6.477 8.219 4.783 1.00 0.00 C ATOM 155 CD LYS A 13 7.972 8.483 4.708 1.00 0.00 C ATOM 156 CE LYS A 13 8.753 7.512 5.581 1.00 0.00 C ATOM 157 NZ LYS A 13 8.530 7.768 7.031 1.00 0.00 N ATOM 0 H LYS A 13 4.672 5.180 2.551 1.00 0.00 H new ATOM 0 HA LYS A 13 4.236 6.780 5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.636 6.155 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.364 7.231 2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.933 9.106 4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.191 8.032 5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.307 8.395 3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.179 9.505 5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.457 6.490 5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.816 7.596 5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.285 7.314 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.540 8.793 7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.609 7.377 7.315 1.00 0.00 H new ATOM 171 N ALA A 14 3.118 8.646 3.823 1.00 0.00 N ATOM 172 CA ALA A 14 2.339 9.677 3.147 1.00 0.00 C ATOM 173 C ALA A 14 3.190 10.911 2.864 1.00 0.00 C ATOM 174 O ALA A 14 4.049 11.282 3.666 1.00 0.00 O ATOM 175 CB ALA A 14 1.124 10.053 3.982 1.00 0.00 C ATOM 0 H ALA A 14 3.084 8.691 4.841 1.00 0.00 H new ATOM 0 HA ALA A 14 2.000 9.274 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.552 10.824 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.498 9.173 4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.451 10.432 4.950 1.00 0.00 H new ATOM 181 N LEU A 15 2.948 11.541 1.721 1.00 0.00 N ATOM 182 CA LEU A 15 3.693 12.734 1.331 1.00 0.00 C ATOM 183 C LEU A 15 3.925 13.646 2.531 1.00 0.00 C ATOM 184 O LEU A 15 3.035 14.394 2.935 1.00 0.00 O ATOM 185 CB LEU A 15 2.942 13.493 0.236 1.00 0.00 C ATOM 186 CG LEU A 15 3.063 12.924 -1.178 1.00 0.00 C ATOM 187 CD1 LEU A 15 1.916 13.412 -2.050 1.00 0.00 C ATOM 188 CD2 LEU A 15 4.402 13.305 -1.793 1.00 0.00 C ATOM 0 H LEU A 15 2.242 11.246 1.047 1.00 0.00 H new ATOM 0 HA LEU A 15 4.662 12.418 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.886 13.526 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.300 14.522 0.224 1.00 0.00 H new ATOM 0 HG LEU A 15 3.009 11.837 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.019 12.997 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.968 13.089 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.938 14.500 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.471 12.892 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.485 14.391 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.210 12.906 -1.181 1.00 0.00 H new ATOM 200 N GLN A 16 5.127 13.581 3.094 1.00 0.00 N ATOM 201 CA GLN A 16 5.477 14.403 4.247 1.00 0.00 C ATOM 202 C GLN A 16 4.378 14.353 5.304 1.00 0.00 C ATOM 203 O GLN A 16 3.993 15.379 5.862 1.00 0.00 O ATOM 204 CB GLN A 16 5.718 15.850 3.813 1.00 0.00 C ATOM 205 CG GLN A 16 6.989 16.037 3.001 1.00 0.00 C ATOM 206 CD GLN A 16 7.382 17.494 2.859 1.00 0.00 C ATOM 207 OE1 GLN A 16 7.781 18.139 3.829 1.00 0.00 O ATOM 208 NE2 GLN A 16 7.270 18.022 1.645 1.00 0.00 N ATOM 0 H GLN A 16 5.875 12.968 2.771 1.00 0.00 H new ATOM 0 HA GLN A 16 6.393 14.004 4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.867 16.191 3.224 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.766 16.483 4.699 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.803 15.490 3.476 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.850 15.604 2.010 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.935 17.451 0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.519 18.999 1.489 1.00 0.00 H new ATOM 217 N GLY A 17 3.876 13.151 5.573 1.00 0.00 N ATOM 218 CA GLY A 17 2.826 12.990 6.562 1.00 0.00 C ATOM 219 C GLY A 17 3.059 11.796 7.465 1.00 0.00 C ATOM 220 O GLY A 17 4.190 11.528 7.872 1.00 0.00 O ATOM 0 H GLY A 17 4.178 12.286 5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.761 13.893 7.169 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.868 12.877 6.055 1.00 0.00 H new ATOM 224 N ARG A 18 1.987 11.077 7.782 1.00 0.00 N ATOM 225 CA ARG A 18 2.080 9.907 8.646 1.00 0.00 C ATOM 226 C ARG A 18 2.482 8.671 7.846 1.00 0.00 C ATOM 227 O ARG A 18 2.568 8.715 6.619 1.00 0.00 O ATOM 228 CB ARG A 18 0.744 9.659 9.350 1.00 0.00 C ATOM 229 CG ARG A 18 0.464 10.631 10.484 1.00 0.00 C ATOM 230 CD ARG A 18 1.205 10.238 11.752 1.00 0.00 C ATOM 231 NE ARG A 18 0.448 9.279 12.553 1.00 0.00 N ATOM 232 CZ ARG A 18 -0.679 9.581 13.188 1.00 0.00 C ATOM 233 NH1 ARG A 18 -1.177 10.807 13.116 1.00 0.00 N ATOM 234 NH2 ARG A 18 -1.310 8.654 13.897 1.00 0.00 N ATOM 0 H ARG A 18 1.044 11.285 7.453 1.00 0.00 H new ATOM 0 HA ARG A 18 2.848 10.100 9.395 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.061 9.726 8.618 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.733 8.642 9.743 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.761 11.636 10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.607 10.661 10.682 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.171 9.808 11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.404 11.130 12.347 1.00 0.00 H new ATOM 0 HE ARG A 18 0.804 8.326 12.629 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.695 11.522 12.572 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.043 11.035 13.605 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.930 7.709 13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.175 8.886 14.385 1.00 0.00 H new ATOM 248 N GLU A 19 2.728 7.571 8.550 1.00 0.00 N ATOM 249 CA GLU A 19 3.123 6.324 7.905 1.00 0.00 C ATOM 250 C GLU A 19 2.674 5.120 8.728 1.00 0.00 C ATOM 251 O GLU A 19 2.157 5.270 9.836 1.00 0.00 O ATOM 252 CB GLU A 19 4.640 6.284 7.708 1.00 0.00 C ATOM 253 CG GLU A 19 5.424 6.335 9.008 1.00 0.00 C ATOM 254 CD GLU A 19 5.452 7.723 9.619 1.00 0.00 C ATOM 255 OE1 GLU A 19 5.847 8.674 8.911 1.00 0.00 O ATOM 256 OE2 GLU A 19 5.080 7.859 10.803 1.00 0.00 O ATOM 0 H GLU A 19 2.661 7.518 9.566 1.00 0.00 H new ATOM 0 HA GLU A 19 2.636 6.278 6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.904 5.374 7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.939 7.124 7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.984 5.637 9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.446 6.002 8.825 1.00 0.00 H new ATOM 263 N CYS A 20 2.876 3.927 8.179 1.00 0.00 N ATOM 264 CA CYS A 20 2.491 2.697 8.860 1.00 0.00 C ATOM 265 C CYS A 20 3.110 1.481 8.178 1.00 0.00 C ATOM 266 O CYS A 20 3.173 1.411 6.951 1.00 0.00 O ATOM 267 CB CYS A 20 0.968 2.560 8.890 1.00 0.00 C ATOM 268 SG CYS A 20 0.208 2.412 7.256 1.00 0.00 S ATOM 0 H CYS A 20 3.304 3.786 7.264 1.00 0.00 H new ATOM 0 HA CYS A 20 2.864 2.746 9.883 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.704 1.684 9.482 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.546 3.427 9.398 1.00 0.00 H new ATOM 0 HG CYS A 20 1.019 1.788 6.455 1.00 0.00 H new ATOM 274 N SER A 21 3.566 0.526 8.982 1.00 0.00 N ATOM 275 CA SER A 21 4.185 -0.685 8.456 1.00 0.00 C ATOM 276 C SER A 21 3.315 -1.906 8.737 1.00 0.00 C ATOM 277 O SER A 21 2.720 -2.026 9.809 1.00 0.00 O ATOM 278 CB SER A 21 5.573 -0.881 9.069 1.00 0.00 C ATOM 279 OG SER A 21 5.479 -1.303 10.419 1.00 0.00 O ATOM 0 H SER A 21 3.518 0.567 10.000 1.00 0.00 H new ATOM 0 HA SER A 21 4.285 -0.573 7.376 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.128 -1.620 8.491 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.133 0.052 9.015 1.00 0.00 H new ATOM 0 HG SER A 21 6.379 -1.423 10.788 1.00 0.00 H new ATOM 285 N LEU A 22 3.245 -2.811 7.767 1.00 0.00 N ATOM 286 CA LEU A 22 2.448 -4.025 7.909 1.00 0.00 C ATOM 287 C LEU A 22 3.191 -5.233 7.347 1.00 0.00 C ATOM 288 O LEU A 22 4.050 -5.094 6.477 1.00 0.00 O ATOM 289 CB LEU A 22 1.104 -3.861 7.197 1.00 0.00 C ATOM 290 CG LEU A 22 0.133 -2.856 7.817 1.00 0.00 C ATOM 291 CD1 LEU A 22 -0.762 -2.249 6.749 1.00 0.00 C ATOM 292 CD2 LEU A 22 -0.702 -3.521 8.901 1.00 0.00 C ATOM 0 H LEU A 22 3.730 -2.727 6.874 1.00 0.00 H new ATOM 0 HA LEU A 22 2.272 -4.193 8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.296 -3.562 6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.614 -4.834 7.161 1.00 0.00 H new ATOM 0 HG LEU A 22 0.713 -2.054 8.274 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.446 -1.536 7.210 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.148 -1.736 6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.334 -3.039 6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.388 -2.791 9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.272 -4.343 8.468 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.045 -3.906 9.681 1.00 0.00 H new ATOM 304 N GLN A 23 2.851 -6.416 7.848 1.00 0.00 N ATOM 305 CA GLN A 23 3.485 -7.648 7.395 1.00 0.00 C ATOM 306 C GLN A 23 2.592 -8.386 6.403 1.00 0.00 C ATOM 307 O GLN A 23 1.577 -8.972 6.782 1.00 0.00 O ATOM 308 CB GLN A 23 3.801 -8.552 8.587 1.00 0.00 C ATOM 309 CG GLN A 23 5.093 -8.189 9.301 1.00 0.00 C ATOM 310 CD GLN A 23 5.572 -9.284 10.234 1.00 0.00 C ATOM 311 OE1 GLN A 23 5.164 -9.349 11.394 1.00 0.00 O ATOM 312 NE2 GLN A 23 6.442 -10.152 9.732 1.00 0.00 N ATOM 0 H GLN A 23 2.140 -6.547 8.568 1.00 0.00 H new ATOM 0 HA GLN A 23 4.416 -7.385 6.892 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.977 -8.503 9.298 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.864 -9.584 8.243 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.867 -7.983 8.561 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.944 -7.272 9.870 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.753 -10.061 8.765 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.799 -10.910 10.313 1.00 0.00 H new ATOM 321 N VAL A 24 2.976 -8.355 5.131 1.00 0.00 N ATOM 322 CA VAL A 24 2.211 -9.022 4.085 1.00 0.00 C ATOM 323 C VAL A 24 3.132 -9.676 3.061 1.00 0.00 C ATOM 324 O VAL A 24 4.291 -9.292 2.897 1.00 0.00 O ATOM 325 CB VAL A 24 1.274 -8.037 3.360 1.00 0.00 C ATOM 326 CG1 VAL A 24 -0.076 -7.972 4.058 1.00 0.00 C ATOM 327 CG2 VAL A 24 1.910 -6.658 3.281 1.00 0.00 C ATOM 0 H VAL A 24 3.813 -7.875 4.800 1.00 0.00 H new ATOM 0 HA VAL A 24 1.612 -9.791 4.573 1.00 0.00 H new ATOM 0 HB VAL A 24 1.113 -8.396 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.724 -7.271 3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.534 -8.961 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.062 -7.637 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.235 -5.975 2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.102 -6.288 4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.850 -6.722 2.732 1.00 0.00 H new ATOM 337 N PRO A 25 2.609 -10.689 2.355 1.00 0.00 N ATOM 338 CA PRO A 25 3.367 -11.418 1.334 1.00 0.00 C ATOM 339 C PRO A 25 3.641 -10.568 0.098 1.00 0.00 C ATOM 340 O PRO A 25 3.281 -9.392 0.051 1.00 0.00 O ATOM 341 CB PRO A 25 2.451 -12.593 0.983 1.00 0.00 C ATOM 342 CG PRO A 25 1.080 -12.117 1.316 1.00 0.00 C ATOM 343 CD PRO A 25 1.235 -11.200 2.498 1.00 0.00 C ATOM 0 HA PRO A 25 4.350 -11.720 1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.533 -12.858 -0.071 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.711 -13.483 1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.633 -11.593 0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.424 -12.954 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.502 -10.393 2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 25 1.100 -11.732 3.440 1.00 0.00 H new ATOM 351 N GLU A 26 4.278 -11.171 -0.900 1.00 0.00 N ATOM 352 CA GLU A 26 4.599 -10.468 -2.136 1.00 0.00 C ATOM 353 C GLU A 26 3.465 -10.600 -3.148 1.00 0.00 C ATOM 354 O GLU A 26 3.166 -9.662 -3.889 1.00 0.00 O ATOM 355 CB GLU A 26 5.898 -11.011 -2.736 1.00 0.00 C ATOM 356 CG GLU A 26 6.936 -11.393 -1.695 1.00 0.00 C ATOM 357 CD GLU A 26 6.735 -12.796 -1.157 1.00 0.00 C ATOM 358 OE1 GLU A 26 6.943 -13.760 -1.923 1.00 0.00 O ATOM 359 OE2 GLU A 26 6.369 -12.931 0.029 1.00 0.00 O ATOM 0 H GLU A 26 4.582 -12.144 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 26 4.730 -9.412 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.669 -11.885 -3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.323 -10.260 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.931 -11.315 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.896 -10.682 -0.870 1.00 0.00 H new ATOM 366 N ASP A 27 2.837 -11.770 -3.174 1.00 0.00 N ATOM 367 CA ASP A 27 1.734 -12.026 -4.094 1.00 0.00 C ATOM 368 C ASP A 27 0.427 -11.463 -3.546 1.00 0.00 C ATOM 369 O ASP A 27 -0.655 -11.813 -4.015 1.00 0.00 O ATOM 370 CB ASP A 27 1.591 -13.528 -4.346 1.00 0.00 C ATOM 371 CG ASP A 27 2.929 -14.211 -4.550 1.00 0.00 C ATOM 372 OD1 ASP A 27 3.527 -14.657 -3.548 1.00 0.00 O ATOM 373 OD2 ASP A 27 3.378 -14.300 -5.712 1.00 0.00 O ATOM 0 H ASP A 27 3.072 -12.557 -2.569 1.00 0.00 H new ATOM 0 HA ASP A 27 1.956 -11.526 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.077 -13.988 -3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.967 -13.688 -5.225 1.00 0.00 H new ATOM 378 N GLU A 28 0.536 -10.590 -2.550 1.00 0.00 N ATOM 379 CA GLU A 28 -0.638 -9.980 -1.937 1.00 0.00 C ATOM 380 C GLU A 28 -1.376 -9.095 -2.937 1.00 0.00 C ATOM 381 O GLU A 28 -0.757 -8.378 -3.725 1.00 0.00 O ATOM 382 CB GLU A 28 -0.232 -9.156 -0.713 1.00 0.00 C ATOM 383 CG GLU A 28 -1.382 -8.877 0.241 1.00 0.00 C ATOM 384 CD GLU A 28 -1.767 -10.092 1.062 1.00 0.00 C ATOM 385 OE1 GLU A 28 -2.057 -11.147 0.461 1.00 0.00 O ATOM 386 OE2 GLU A 28 -1.778 -9.986 2.307 1.00 0.00 O ATOM 0 H GLU A 28 1.425 -10.289 -2.150 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.308 -10.780 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.556 -9.684 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.190 -8.208 -1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.104 -8.064 0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.248 -8.539 -0.329 1.00 0.00 H new ATOM 393 N LEU A 29 -2.703 -9.150 -2.900 1.00 0.00 N ATOM 394 CA LEU A 29 -3.527 -8.355 -3.804 1.00 0.00 C ATOM 395 C LEU A 29 -3.586 -6.900 -3.348 1.00 0.00 C ATOM 396 O LEU A 29 -3.709 -6.616 -2.156 1.00 0.00 O ATOM 397 CB LEU A 29 -4.940 -8.935 -3.880 1.00 0.00 C ATOM 398 CG LEU A 29 -5.036 -10.458 -3.976 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.491 -10.902 -3.976 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.323 -10.960 -5.223 1.00 0.00 C ATOM 0 H LEU A 29 -3.231 -9.737 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.073 -8.388 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.492 -8.611 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.442 -8.504 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.546 -10.890 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.540 -11.989 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.971 -10.575 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.006 -10.461 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.402 -12.046 -5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.784 -10.520 -6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.272 -10.674 -5.181 1.00 0.00 H new ATOM 412 N VAL A 30 -3.501 -5.982 -4.305 1.00 0.00 N ATOM 413 CA VAL A 30 -3.548 -4.556 -4.002 1.00 0.00 C ATOM 414 C VAL A 30 -4.850 -4.186 -3.301 1.00 0.00 C ATOM 415 O VAL A 30 -4.901 -3.228 -2.530 1.00 0.00 O ATOM 416 CB VAL A 30 -3.406 -3.706 -5.279 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.129 -2.253 -4.926 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.307 -4.265 -6.171 1.00 0.00 C ATOM 0 H VAL A 30 -3.399 -6.200 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.709 -4.345 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.346 -3.748 -5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.032 -1.668 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.953 -1.860 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.204 -2.188 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.220 -3.653 -7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.360 -4.254 -5.632 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.553 -5.289 -6.453 1.00 0.00 H new ATOM 428 N SER A 31 -5.901 -4.952 -3.573 1.00 0.00 N ATOM 429 CA SER A 31 -7.205 -4.703 -2.971 1.00 0.00 C ATOM 430 C SER A 31 -7.211 -5.110 -1.501 1.00 0.00 C ATOM 431 O SER A 31 -7.977 -4.575 -0.698 1.00 0.00 O ATOM 432 CB SER A 31 -8.294 -5.466 -3.728 1.00 0.00 C ATOM 433 OG SER A 31 -8.204 -6.859 -3.484 1.00 0.00 O ATOM 0 H SER A 31 -5.875 -5.751 -4.207 1.00 0.00 H new ATOM 0 HA SER A 31 -7.409 -3.634 -3.035 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.276 -5.103 -3.423 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.201 -5.274 -4.797 1.00 0.00 H new ATOM 0 HG SER A 31 -8.912 -7.324 -3.977 1.00 0.00 H new ATOM 439 N THR A 32 -6.351 -6.062 -1.153 1.00 0.00 N ATOM 440 CA THR A 32 -6.257 -6.543 0.219 1.00 0.00 C ATOM 441 C THR A 32 -5.132 -5.842 0.972 1.00 0.00 C ATOM 442 O THR A 32 -5.067 -5.892 2.201 1.00 0.00 O ATOM 443 CB THR A 32 -6.020 -8.064 0.266 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.057 -8.744 -0.449 1.00 0.00 O ATOM 445 CG2 THR A 32 -5.978 -8.561 1.704 1.00 0.00 C ATOM 0 H THR A 32 -5.709 -6.515 -1.803 1.00 0.00 H new ATOM 0 HA THR A 32 -7.209 -6.316 0.699 1.00 0.00 H new ATOM 0 HB THR A 32 -5.059 -8.274 -0.203 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.898 -9.710 -0.416 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.810 -9.638 1.712 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.168 -8.063 2.238 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.926 -8.338 2.194 1.00 0.00 H new ATOM 453 N LEU A 33 -4.247 -5.187 0.228 1.00 0.00 N ATOM 454 CA LEU A 33 -3.124 -4.473 0.825 1.00 0.00 C ATOM 455 C LEU A 33 -3.528 -3.057 1.223 1.00 0.00 C ATOM 456 O LEU A 33 -2.960 -2.474 2.147 1.00 0.00 O ATOM 457 CB LEU A 33 -1.948 -4.424 -0.152 1.00 0.00 C ATOM 458 CG LEU A 33 -1.199 -5.740 -0.367 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.616 -5.799 -1.770 1.00 0.00 C ATOM 460 CD2 LEU A 33 -0.103 -5.906 0.676 1.00 0.00 C ATOM 0 H LEU A 33 -4.286 -5.136 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.820 -5.010 1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.318 -4.078 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.237 -3.678 0.203 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.907 -6.562 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.087 -6.742 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.421 -5.727 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.078 -4.970 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.420 -6.848 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.603 -5.080 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.546 -5.910 1.672 1.00 0.00 H new ATOM 472 N LYS A 34 -4.515 -2.510 0.522 1.00 0.00 N ATOM 473 CA LYS A 34 -4.999 -1.164 0.804 1.00 0.00 C ATOM 474 C LYS A 34 -6.029 -1.180 1.929 1.00 0.00 C ATOM 475 O LYS A 34 -6.053 -0.284 2.772 1.00 0.00 O ATOM 476 CB LYS A 34 -5.613 -0.547 -0.455 1.00 0.00 C ATOM 477 CG LYS A 34 -4.612 -0.327 -1.575 1.00 0.00 C ATOM 478 CD LYS A 34 -5.300 -0.223 -2.926 1.00 0.00 C ATOM 479 CE LYS A 34 -4.494 0.625 -3.898 1.00 0.00 C ATOM 480 NZ LYS A 34 -4.812 2.074 -3.766 1.00 0.00 N ATOM 0 H LYS A 34 -4.996 -2.978 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.150 -0.559 1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.411 -1.196 -0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.071 0.408 -0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.045 0.584 -1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.897 -1.150 -1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.440 -1.221 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.291 0.211 -2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.430 0.469 -3.720 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.697 0.300 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.242 2.618 -4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.822 2.227 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.594 2.391 -2.800 1.00 0.00 H new ATOM 494 N GLN A 35 -6.875 -2.205 1.936 1.00 0.00 N ATOM 495 CA GLN A 35 -7.906 -2.337 2.959 1.00 0.00 C ATOM 496 C GLN A 35 -7.284 -2.445 4.347 1.00 0.00 C ATOM 497 O GLN A 35 -7.893 -2.054 5.344 1.00 0.00 O ATOM 498 CB GLN A 35 -8.777 -3.563 2.680 1.00 0.00 C ATOM 499 CG GLN A 35 -9.625 -3.434 1.425 1.00 0.00 C ATOM 500 CD GLN A 35 -10.274 -4.743 1.022 1.00 0.00 C ATOM 501 OE1 GLN A 35 -9.650 -5.803 1.083 1.00 0.00 O ATOM 502 NE2 GLN A 35 -11.534 -4.677 0.608 1.00 0.00 N ATOM 0 H GLN A 35 -6.867 -2.956 1.245 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.529 -1.443 2.929 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.136 -4.440 2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.431 -3.736 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.399 -2.685 1.590 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.002 -3.074 0.606 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.013 -3.777 0.573 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.023 -5.526 0.325 1.00 0.00 H new ATOM 511 N LEU A 36 -6.069 -2.978 4.406 1.00 0.00 N ATOM 512 CA LEU A 36 -5.364 -3.138 5.673 1.00 0.00 C ATOM 513 C LEU A 36 -4.994 -1.782 6.266 1.00 0.00 C ATOM 514 O LEU A 36 -5.296 -1.496 7.424 1.00 0.00 O ATOM 515 CB LEU A 36 -4.103 -3.981 5.475 1.00 0.00 C ATOM 516 CG LEU A 36 -4.328 -5.462 5.165 1.00 0.00 C ATOM 517 CD1 LEU A 36 -3.062 -6.087 4.600 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.781 -6.205 6.413 1.00 0.00 C ATOM 0 H LEU A 36 -5.551 -3.307 3.591 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.030 -3.649 6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.522 -3.544 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.495 -3.907 6.377 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.114 -5.541 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.241 -7.141 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.781 -5.572 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.256 -5.997 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.936 -7.257 6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.017 -6.117 7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.714 -5.774 6.775 1.00 0.00 H new ATOM 530 N VAL A 37 -4.340 -0.949 5.462 1.00 0.00 N ATOM 531 CA VAL A 37 -3.932 0.379 5.905 1.00 0.00 C ATOM 532 C VAL A 37 -5.142 1.240 6.247 1.00 0.00 C ATOM 533 O VAL A 37 -5.090 2.071 7.154 1.00 0.00 O ATOM 534 CB VAL A 37 -3.092 1.096 4.831 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.665 2.472 5.318 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.882 0.255 4.453 1.00 0.00 C ATOM 0 H VAL A 37 -4.082 -1.171 4.501 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.324 0.241 6.799 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.707 1.227 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.073 2.963 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.549 3.072 5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.067 2.368 6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.300 0.776 3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.263 0.091 5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.215 -0.705 4.059 1.00 0.00 H new ATOM 546 N SER A 38 -6.233 1.035 5.515 1.00 0.00 N ATOM 547 CA SER A 38 -7.457 1.796 5.739 1.00 0.00 C ATOM 548 C SER A 38 -7.850 1.773 7.213 1.00 0.00 C ATOM 549 O SER A 38 -8.254 2.791 7.773 1.00 0.00 O ATOM 550 CB SER A 38 -8.596 1.231 4.887 1.00 0.00 C ATOM 551 OG SER A 38 -9.284 0.201 5.575 1.00 0.00 O ATOM 0 H SER A 38 -6.294 0.349 4.763 1.00 0.00 H new ATOM 0 HA SER A 38 -7.271 2.830 5.447 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.292 2.029 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.196 0.843 3.950 1.00 0.00 H new ATOM 0 HG SER A 38 -8.667 -0.537 5.761 1.00 0.00 H new ATOM 557 N GLU A 39 -7.726 0.604 7.833 1.00 0.00 N ATOM 558 CA GLU A 39 -8.069 0.448 9.242 1.00 0.00 C ATOM 559 C GLU A 39 -6.979 1.034 10.135 1.00 0.00 C ATOM 560 O GLU A 39 -7.259 1.556 11.215 1.00 0.00 O ATOM 561 CB GLU A 39 -8.279 -1.030 9.578 1.00 0.00 C ATOM 562 CG GLU A 39 -9.579 -1.598 9.034 1.00 0.00 C ATOM 563 CD GLU A 39 -10.744 -1.407 9.987 1.00 0.00 C ATOM 564 OE1 GLU A 39 -10.892 -0.291 10.526 1.00 0.00 O ATOM 565 OE2 GLU A 39 -11.506 -2.375 10.193 1.00 0.00 O ATOM 0 H GLU A 39 -7.391 -0.248 7.383 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.996 0.990 9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.445 -1.607 9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.263 -1.154 10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.810 -1.119 8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.450 -2.661 8.832 1.00 0.00 H new ATOM 572 N LYS A 40 -5.735 0.943 9.678 1.00 0.00 N ATOM 573 CA LYS A 40 -4.601 1.463 10.433 1.00 0.00 C ATOM 574 C LYS A 40 -4.696 2.978 10.581 1.00 0.00 C ATOM 575 O LYS A 40 -4.688 3.505 11.695 1.00 0.00 O ATOM 576 CB LYS A 40 -3.288 1.089 9.743 1.00 0.00 C ATOM 577 CG LYS A 40 -2.734 -0.257 10.179 1.00 0.00 C ATOM 578 CD LYS A 40 -3.657 -1.396 9.780 1.00 0.00 C ATOM 579 CE LYS A 40 -3.541 -2.570 10.739 1.00 0.00 C ATOM 580 NZ LYS A 40 -4.225 -3.784 10.215 1.00 0.00 N ATOM 0 H LYS A 40 -5.486 0.513 8.787 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.622 1.016 11.427 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.445 1.076 8.664 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.547 1.861 9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.752 -0.410 9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.596 -0.261 11.260 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.687 -1.041 9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.415 -1.725 8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.489 -2.793 10.914 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.973 -2.297 11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.123 -4.562 10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.235 -3.579 10.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.796 -4.060 9.309 1.00 0.00 H new ATOM 594 N LEU A 41 -4.787 3.674 9.453 1.00 0.00 N ATOM 595 CA LEU A 41 -4.885 5.130 9.458 1.00 0.00 C ATOM 596 C LEU A 41 -6.343 5.577 9.464 1.00 0.00 C ATOM 597 O LEU A 41 -6.636 6.770 9.519 1.00 0.00 O ATOM 598 CB LEU A 41 -4.166 5.713 8.240 1.00 0.00 C ATOM 599 CG LEU A 41 -2.649 5.529 8.204 1.00 0.00 C ATOM 600 CD1 LEU A 41 -2.124 5.696 6.787 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.970 6.512 9.146 1.00 0.00 C ATOM 0 H LEU A 41 -4.795 3.254 8.523 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.407 5.499 10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.588 5.260 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.384 6.780 8.191 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.417 4.518 8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.042 5.562 6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.585 4.952 6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.367 6.695 6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.890 6.366 9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.210 7.531 8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.323 6.344 10.164 1.00 0.00 H new ATOM 613 N ASN A 42 -7.254 4.610 9.410 1.00 0.00 N ATOM 614 CA ASN A 42 -8.682 4.905 9.412 1.00 0.00 C ATOM 615 C ASN A 42 -9.070 5.724 8.185 1.00 0.00 C ATOM 616 O ASN A 42 -10.057 6.459 8.202 1.00 0.00 O ATOM 617 CB ASN A 42 -9.067 5.660 10.686 1.00 0.00 C ATOM 618 CG ASN A 42 -9.178 4.744 11.889 1.00 0.00 C ATOM 619 OD1 ASN A 42 -10.209 4.105 12.104 1.00 0.00 O ATOM 620 ND2 ASN A 42 -8.115 4.676 12.681 1.00 0.00 N ATOM 0 H ASN A 42 -7.028 3.616 9.364 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.223 3.959 9.381 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.323 6.431 10.887 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.019 6.168 10.530 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.131 4.077 13.506 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.282 5.223 12.464 1.00 0.00 H new ATOM 627 N VAL A 43 -8.285 5.592 7.120 1.00 0.00 N ATOM 628 CA VAL A 43 -8.547 6.319 5.883 1.00 0.00 C ATOM 629 C VAL A 43 -9.182 5.411 4.836 1.00 0.00 C ATOM 630 O VAL A 43 -8.800 4.253 4.668 1.00 0.00 O ATOM 631 CB VAL A 43 -7.255 6.926 5.305 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.533 7.605 3.972 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.638 7.905 6.292 1.00 0.00 C ATOM 0 H VAL A 43 -7.463 4.989 7.089 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.239 7.124 6.129 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.542 6.120 5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.608 8.028 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.926 6.873 3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.264 8.401 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.726 8.324 5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.345 8.709 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.400 7.385 7.220 1.00 0.00 H new ATOM 643 N PRO A 44 -10.176 5.947 4.112 1.00 0.00 N ATOM 644 CA PRO A 44 -10.885 5.203 3.067 1.00 0.00 C ATOM 645 C PRO A 44 -10.008 4.938 1.848 1.00 0.00 C ATOM 646 O PRO A 44 -9.414 5.858 1.286 1.00 0.00 O ATOM 647 CB PRO A 44 -12.047 6.128 2.699 1.00 0.00 C ATOM 648 CG PRO A 44 -11.572 7.494 3.057 1.00 0.00 C ATOM 649 CD PRO A 44 -10.683 7.322 4.258 1.00 0.00 C ATOM 0 HA PRO A 44 -11.199 4.217 3.410 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.288 6.058 1.638 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.951 5.866 3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.026 7.947 2.229 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.411 8.152 3.284 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.872 8.051 4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.236 7.450 5.189 1.00 0.00 H new ATOM 657 N VAL A 45 -9.932 3.674 1.443 1.00 0.00 N ATOM 658 CA VAL A 45 -9.129 3.288 0.289 1.00 0.00 C ATOM 659 C VAL A 45 -9.453 4.157 -0.921 1.00 0.00 C ATOM 660 O VAL A 45 -8.608 4.367 -1.791 1.00 0.00 O ATOM 661 CB VAL A 45 -9.352 1.809 -0.081 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.325 1.355 -1.107 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.297 0.936 1.163 1.00 0.00 C ATOM 0 H VAL A 45 -10.417 2.900 1.897 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.085 3.432 0.568 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.342 1.708 -0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.498 0.308 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.417 1.962 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.323 1.469 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.456 -0.106 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.321 1.039 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.074 1.248 1.861 1.00 0.00 H new ATOM 673 N ARG A 46 -10.682 4.661 -0.970 1.00 0.00 N ATOM 674 CA ARG A 46 -11.118 5.507 -2.074 1.00 0.00 C ATOM 675 C ARG A 46 -10.227 6.740 -2.198 1.00 0.00 C ATOM 676 O ARG A 46 -10.011 7.252 -3.296 1.00 0.00 O ATOM 677 CB ARG A 46 -12.573 5.934 -1.873 1.00 0.00 C ATOM 678 CG ARG A 46 -13.582 4.922 -2.389 1.00 0.00 C ATOM 679 CD ARG A 46 -13.412 3.571 -1.712 1.00 0.00 C ATOM 680 NE ARG A 46 -14.313 2.564 -2.265 1.00 0.00 N ATOM 681 CZ ARG A 46 -14.616 1.428 -1.646 1.00 0.00 C ATOM 682 NH1 ARG A 46 -14.093 1.158 -0.458 1.00 0.00 N ATOM 683 NH2 ARG A 46 -15.445 0.562 -2.214 1.00 0.00 N ATOM 0 H ARG A 46 -11.393 4.498 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.040 4.929 -2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.750 6.101 -0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.736 6.886 -2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.592 5.293 -2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.465 4.807 -3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.381 3.236 -1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.598 3.675 -0.643 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.733 2.742 -3.177 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.457 1.823 -0.018 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.327 0.285 0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.851 0.768 -3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.677 -0.310 -1.738 1.00 0.00 H new ATOM 697 N GLN A 47 -9.714 7.210 -1.066 1.00 0.00 N ATOM 698 CA GLN A 47 -8.848 8.383 -1.049 1.00 0.00 C ATOM 699 C GLN A 47 -7.382 7.978 -1.154 1.00 0.00 C ATOM 700 O GLN A 47 -6.757 8.143 -2.201 1.00 0.00 O ATOM 701 CB GLN A 47 -9.076 9.192 0.229 1.00 0.00 C ATOM 702 CG GLN A 47 -10.262 10.139 0.146 1.00 0.00 C ATOM 703 CD GLN A 47 -10.084 11.375 1.006 1.00 0.00 C ATOM 704 OE1 GLN A 47 -10.241 11.324 2.226 1.00 0.00 O ATOM 705 NE2 GLN A 47 -9.754 12.495 0.373 1.00 0.00 N ATOM 0 H GLN A 47 -9.883 6.797 -0.149 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.098 9.001 -1.911 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.228 8.505 1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.177 9.767 0.450 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.409 10.441 -0.891 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.165 9.613 0.456 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.634 12.492 -0.640 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.621 13.358 0.900 1.00 0.00 H new ATOM 714 N GLN A 48 -6.839 7.449 -0.062 1.00 0.00 N ATOM 715 CA GLN A 48 -5.445 7.022 -0.032 1.00 0.00 C ATOM 716 C GLN A 48 -5.074 6.285 -1.314 1.00 0.00 C ATOM 717 O GLN A 48 -5.877 5.528 -1.861 1.00 0.00 O ATOM 718 CB GLN A 48 -5.191 6.123 1.179 1.00 0.00 C ATOM 719 CG GLN A 48 -5.841 4.754 1.068 1.00 0.00 C ATOM 720 CD GLN A 48 -5.223 3.736 2.007 1.00 0.00 C ATOM 721 OE1 GLN A 48 -4.057 3.370 1.863 1.00 0.00 O ATOM 722 NE2 GLN A 48 -6.004 3.275 2.976 1.00 0.00 N ATOM 0 H GLN A 48 -7.343 7.306 0.813 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.820 7.912 0.048 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.116 5.996 1.308 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.563 6.621 2.075 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.906 4.843 1.285 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.753 4.396 0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.965 3.607 3.058 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.643 2.589 3.639 1.00 0.00 H new ATOM 731 N ARG A 49 -3.854 6.511 -1.789 1.00 0.00 N ATOM 732 CA ARG A 49 -3.377 5.869 -3.008 1.00 0.00 C ATOM 733 C ARG A 49 -1.929 5.413 -2.852 1.00 0.00 C ATOM 734 O ARG A 49 -1.079 6.164 -2.372 1.00 0.00 O ATOM 735 CB ARG A 49 -3.496 6.827 -4.195 1.00 0.00 C ATOM 736 CG ARG A 49 -3.023 6.230 -5.510 1.00 0.00 C ATOM 737 CD ARG A 49 -3.737 6.858 -6.696 1.00 0.00 C ATOM 738 NE ARG A 49 -3.654 6.022 -7.891 1.00 0.00 N ATOM 739 CZ ARG A 49 -4.189 6.355 -9.060 1.00 0.00 C ATOM 740 NH1 ARG A 49 -4.843 7.501 -9.191 1.00 0.00 N ATOM 741 NH2 ARG A 49 -4.071 5.542 -10.101 1.00 0.00 N ATOM 0 H ARG A 49 -3.177 7.134 -1.348 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.998 4.993 -3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.536 7.135 -4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.917 7.726 -3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.948 6.377 -5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.198 5.154 -5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.784 7.024 -6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.301 7.835 -6.906 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.158 5.133 -7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.936 8.129 -8.393 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.253 7.754 -10.090 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.569 4.659 -10.005 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.482 5.799 -10.998 1.00 0.00 H new ATOM 755 N LEU A 50 -1.655 4.179 -3.260 1.00 0.00 N ATOM 756 CA LEU A 50 -0.310 3.622 -3.166 1.00 0.00 C ATOM 757 C LEU A 50 0.487 3.906 -4.435 1.00 0.00 C ATOM 758 O LEU A 50 -0.034 3.798 -5.546 1.00 0.00 O ATOM 759 CB LEU A 50 -0.378 2.114 -2.919 1.00 0.00 C ATOM 760 CG LEU A 50 -0.778 1.682 -1.508 1.00 0.00 C ATOM 761 CD1 LEU A 50 -0.966 0.174 -1.445 1.00 0.00 C ATOM 762 CD2 LEU A 50 0.265 2.134 -0.496 1.00 0.00 C ATOM 0 H LEU A 50 -2.347 3.545 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 50 0.197 4.099 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.088 1.682 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.598 1.685 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.727 2.157 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.250 -0.115 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.749 -0.124 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.033 -0.321 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.036 1.818 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.229 1.688 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.351 3.220 -0.522 1.00 0.00 H new ATOM 774 N LEU A 51 1.753 4.269 -4.263 1.00 0.00 N ATOM 775 CA LEU A 51 2.624 4.566 -5.394 1.00 0.00 C ATOM 776 C LEU A 51 3.977 3.880 -5.235 1.00 0.00 C ATOM 777 O LEU A 51 4.553 3.864 -4.147 1.00 0.00 O ATOM 778 CB LEU A 51 2.819 6.078 -5.530 1.00 0.00 C ATOM 779 CG LEU A 51 1.630 6.860 -6.088 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.718 8.324 -5.685 1.00 0.00 C ATOM 781 CD2 LEU A 51 1.567 6.725 -7.603 1.00 0.00 C ATOM 0 H LEU A 51 2.199 4.365 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 51 2.148 4.184 -6.297 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.066 6.482 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.680 6.257 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 51 0.715 6.443 -5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.863 8.865 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.714 8.403 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.640 8.754 -6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.715 7.288 -7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.485 7.116 -8.042 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.456 5.674 -7.870 1.00 0.00 H new ATOM 793 N PHE A 52 4.481 3.316 -6.328 1.00 0.00 N ATOM 794 CA PHE A 52 5.767 2.629 -6.311 1.00 0.00 C ATOM 795 C PHE A 52 6.708 3.210 -7.363 1.00 0.00 C ATOM 796 O PHE A 52 6.500 3.034 -8.563 1.00 0.00 O ATOM 797 CB PHE A 52 5.573 1.131 -6.555 1.00 0.00 C ATOM 798 CG PHE A 52 6.804 0.315 -6.284 1.00 0.00 C ATOM 799 CD1 PHE A 52 7.118 -0.081 -4.994 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.647 -0.057 -7.319 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.251 -0.832 -4.741 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.781 -0.808 -7.072 1.00 0.00 C ATOM 803 CZ PHE A 52 9.083 -1.196 -5.782 1.00 0.00 C ATOM 0 H PHE A 52 4.018 3.321 -7.237 1.00 0.00 H new ATOM 0 HA PHE A 52 6.215 2.774 -5.328 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.761 0.770 -5.923 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.265 0.976 -7.589 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.470 0.200 -4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.415 0.243 -8.330 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.485 -1.134 -3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.430 -1.091 -7.887 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.968 -1.783 -5.587 1.00 0.00 H new ATOM 813 N LYS A 53 7.744 3.902 -6.903 1.00 0.00 N ATOM 814 CA LYS A 53 8.719 4.509 -7.802 1.00 0.00 C ATOM 815 C LYS A 53 8.037 5.452 -8.787 1.00 0.00 C ATOM 816 O LYS A 53 8.503 5.635 -9.911 1.00 0.00 O ATOM 817 CB LYS A 53 9.485 3.425 -8.564 1.00 0.00 C ATOM 818 CG LYS A 53 10.545 2.729 -7.728 1.00 0.00 C ATOM 819 CD LYS A 53 11.162 1.558 -8.475 1.00 0.00 C ATOM 820 CE LYS A 53 11.796 0.559 -7.518 1.00 0.00 C ATOM 821 NZ LYS A 53 13.163 0.980 -7.103 1.00 0.00 N ATOM 0 H LYS A 53 7.931 4.057 -5.912 1.00 0.00 H new ATOM 0 HA LYS A 53 9.421 5.086 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.777 2.682 -8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.959 3.873 -9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.324 3.442 -7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.102 2.375 -6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.396 1.059 -9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.916 1.926 -9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.166 0.451 -6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.846 -0.420 -7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.561 0.274 -6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.772 1.059 -7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.112 1.902 -6.625 1.00 0.00 H new ATOM 835 N GLY A 54 6.930 6.051 -8.358 1.00 0.00 N ATOM 836 CA GLY A 54 6.203 6.969 -9.214 1.00 0.00 C ATOM 837 C GLY A 54 5.242 6.256 -10.145 1.00 0.00 C ATOM 838 O GLY A 54 4.855 6.796 -11.182 1.00 0.00 O ATOM 0 H GLY A 54 6.524 5.916 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.649 7.675 -8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.912 7.550 -9.804 1.00 0.00 H new ATOM 842 N LYS A 55 4.858 5.039 -9.777 1.00 0.00 N ATOM 843 CA LYS A 55 3.937 4.249 -10.586 1.00 0.00 C ATOM 844 C LYS A 55 2.616 4.035 -9.854 1.00 0.00 C ATOM 845 O LYS A 55 2.597 3.602 -8.702 1.00 0.00 O ATOM 846 CB LYS A 55 4.563 2.898 -10.937 1.00 0.00 C ATOM 847 CG LYS A 55 3.989 2.269 -12.195 1.00 0.00 C ATOM 848 CD LYS A 55 4.058 0.752 -12.141 1.00 0.00 C ATOM 849 CE LYS A 55 4.114 0.147 -13.535 1.00 0.00 C ATOM 850 NZ LYS A 55 5.397 0.458 -14.224 1.00 0.00 N ATOM 0 H LYS A 55 5.170 4.577 -8.923 1.00 0.00 H new ATOM 0 HA LYS A 55 3.737 4.799 -11.506 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.638 3.027 -11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.421 2.213 -10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.953 2.583 -12.320 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.538 2.628 -13.066 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.938 0.447 -11.575 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.188 0.366 -11.610 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.991 -0.934 -13.467 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.282 0.526 -14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.583 -0.261 -14.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.333 1.395 -14.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.172 0.457 -13.531 1.00 0.00 H new ATOM 864 N ALA A 56 1.513 4.339 -10.531 1.00 0.00 N ATOM 865 CA ALA A 56 0.188 4.175 -9.945 1.00 0.00 C ATOM 866 C ALA A 56 -0.287 2.731 -10.057 1.00 0.00 C ATOM 867 O ALA A 56 -0.351 2.170 -11.152 1.00 0.00 O ATOM 868 CB ALA A 56 -0.804 5.113 -10.617 1.00 0.00 C ATOM 0 H ALA A 56 1.511 4.700 -11.485 1.00 0.00 H new ATOM 0 HA ALA A 56 0.251 4.427 -8.886 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.790 4.981 -10.171 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.479 6.144 -10.481 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.855 4.886 -11.682 1.00 0.00 H new ATOM 874 N LEU A 57 -0.618 2.132 -8.918 1.00 0.00 N ATOM 875 CA LEU A 57 -1.087 0.751 -8.888 1.00 0.00 C ATOM 876 C LEU A 57 -2.604 0.688 -9.029 1.00 0.00 C ATOM 877 O LEU A 57 -3.308 1.645 -8.706 1.00 0.00 O ATOM 878 CB LEU A 57 -0.656 0.074 -7.585 1.00 0.00 C ATOM 879 CG LEU A 57 0.692 0.516 -7.013 1.00 0.00 C ATOM 880 CD1 LEU A 57 0.957 -0.170 -5.682 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.812 0.223 -7.999 1.00 0.00 C ATOM 0 H LEU A 57 -0.570 2.581 -8.003 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.640 0.223 -9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.424 0.255 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.622 -1.003 -7.752 1.00 0.00 H new ATOM 0 HG LEU A 57 0.658 1.592 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.920 0.156 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.170 0.092 -4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.971 -1.250 -5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.763 0.544 -7.575 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.848 -0.847 -8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.629 0.762 -8.929 1.00 0.00 H new ATOM 893 N ALA A 58 -3.102 -0.446 -9.512 1.00 0.00 N ATOM 894 CA ALA A 58 -4.536 -0.635 -9.691 1.00 0.00 C ATOM 895 C ALA A 58 -5.062 -1.739 -8.780 1.00 0.00 C ATOM 896 O ALA A 58 -4.538 -2.853 -8.772 1.00 0.00 O ATOM 897 CB ALA A 58 -4.847 -0.956 -11.146 1.00 0.00 C ATOM 0 H ALA A 58 -2.533 -1.247 -9.786 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.037 0.294 -9.419 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.921 -1.095 -11.266 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.514 -0.134 -11.779 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.328 -1.870 -11.436 1.00 0.00 H new ATOM 903 N ASP A 59 -6.099 -1.421 -8.013 1.00 0.00 N ATOM 904 CA ASP A 59 -6.697 -2.386 -7.098 1.00 0.00 C ATOM 905 C ASP A 59 -7.079 -3.668 -7.832 1.00 0.00 C ATOM 906 O ASP A 59 -7.604 -3.625 -8.944 1.00 0.00 O ATOM 907 CB ASP A 59 -7.930 -1.784 -6.421 1.00 0.00 C ATOM 908 CG ASP A 59 -9.059 -1.526 -7.400 1.00 0.00 C ATOM 909 OD1 ASP A 59 -8.784 -0.991 -8.495 1.00 0.00 O ATOM 910 OD2 ASP A 59 -10.216 -1.859 -7.071 1.00 0.00 O ATOM 0 H ASP A 59 -6.543 -0.503 -8.007 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.958 -2.632 -6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.278 -2.459 -5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.654 -0.849 -5.935 1.00 0.00 H new ATOM 915 N GLY A 60 -6.811 -4.807 -7.202 1.00 0.00 N ATOM 916 CA GLY A 60 -7.132 -6.085 -7.811 1.00 0.00 C ATOM 917 C GLY A 60 -5.895 -6.865 -8.209 1.00 0.00 C ATOM 918 O GLY A 60 -5.807 -8.070 -7.969 1.00 0.00 O ATOM 0 H GLY A 60 -6.377 -4.868 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.723 -6.678 -7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.752 -5.919 -8.692 1.00 0.00 H new ATOM 922 N LYS A 61 -4.936 -6.179 -8.821 1.00 0.00 N ATOM 923 CA LYS A 61 -3.696 -6.814 -9.253 1.00 0.00 C ATOM 924 C LYS A 61 -2.854 -7.236 -8.054 1.00 0.00 C ATOM 925 O LYS A 61 -3.206 -6.958 -6.908 1.00 0.00 O ATOM 926 CB LYS A 61 -2.895 -5.861 -10.143 1.00 0.00 C ATOM 927 CG LYS A 61 -3.530 -5.618 -11.501 1.00 0.00 C ATOM 928 CD LYS A 61 -2.496 -5.205 -12.535 1.00 0.00 C ATOM 929 CE LYS A 61 -3.153 -4.683 -13.803 1.00 0.00 C ATOM 930 NZ LYS A 61 -3.496 -5.784 -14.744 1.00 0.00 N ATOM 0 H LYS A 61 -4.993 -5.182 -9.029 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.953 -7.706 -9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.781 -4.907 -9.629 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.894 -6.267 -10.287 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.037 -6.524 -11.834 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.290 -4.841 -11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.849 -4.435 -12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.862 -6.058 -12.777 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.057 -4.133 -13.543 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.482 -3.980 -14.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.942 -5.387 -15.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.630 -6.294 -15.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.156 -6.442 -14.283 1.00 0.00 H new ATOM 944 N ARG A 62 -1.740 -7.908 -8.327 1.00 0.00 N ATOM 945 CA ARG A 62 -0.847 -8.368 -7.270 1.00 0.00 C ATOM 946 C ARG A 62 0.478 -7.614 -7.311 1.00 0.00 C ATOM 947 O ARG A 62 1.027 -7.360 -8.384 1.00 0.00 O ATOM 948 CB ARG A 62 -0.596 -9.871 -7.404 1.00 0.00 C ATOM 949 CG ARG A 62 -1.869 -10.702 -7.428 1.00 0.00 C ATOM 950 CD ARG A 62 -1.676 -11.993 -8.209 1.00 0.00 C ATOM 951 NE ARG A 62 -2.941 -12.684 -8.444 1.00 0.00 N ATOM 952 CZ ARG A 62 -3.092 -13.660 -9.332 1.00 0.00 C ATOM 953 NH1 ARG A 62 -2.062 -14.058 -10.066 1.00 0.00 N ATOM 954 NH2 ARG A 62 -4.275 -14.241 -9.488 1.00 0.00 N ATOM 0 H ARG A 62 -1.435 -8.146 -9.271 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.327 -8.171 -6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.034 -10.057 -8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.028 -10.202 -6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.172 -10.935 -6.407 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.676 -10.121 -7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.201 -11.771 -9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.000 -12.650 -7.662 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.753 -12.401 -7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.151 -13.614 -9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.181 -14.808 -10.747 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.070 -13.938 -8.925 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.389 -14.990 -10.170 1.00 0.00 H new ATOM 968 N LEU A 63 0.988 -7.259 -6.137 1.00 0.00 N ATOM 969 CA LEU A 63 2.249 -6.533 -6.038 1.00 0.00 C ATOM 970 C LEU A 63 3.376 -7.305 -6.717 1.00 0.00 C ATOM 971 O LEU A 63 4.241 -6.717 -7.367 1.00 0.00 O ATOM 972 CB LEU A 63 2.601 -6.280 -4.571 1.00 0.00 C ATOM 973 CG LEU A 63 1.815 -5.169 -3.875 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.445 -4.831 -2.532 1.00 0.00 C ATOM 975 CD2 LEU A 63 1.743 -3.932 -4.758 1.00 0.00 C ATOM 0 H LEU A 63 0.547 -7.462 -5.240 1.00 0.00 H new ATOM 0 HA LEU A 63 2.130 -5.576 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.450 -7.206 -4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.663 -6.041 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 63 0.800 -5.524 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.872 -4.038 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.444 -5.717 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.471 -4.496 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.180 -3.152 -4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.751 -3.574 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.246 -4.182 -5.695 1.00 0.00 H new ATOM 987 N SER A 64 3.358 -8.625 -6.565 1.00 0.00 N ATOM 988 CA SER A 64 4.379 -9.478 -7.162 1.00 0.00 C ATOM 989 C SER A 64 4.424 -9.293 -8.676 1.00 0.00 C ATOM 990 O SER A 64 5.423 -9.612 -9.321 1.00 0.00 O ATOM 991 CB SER A 64 4.110 -10.946 -6.824 1.00 0.00 C ATOM 992 OG SER A 64 2.819 -11.339 -7.255 1.00 0.00 O ATOM 0 H SER A 64 2.647 -9.127 -6.033 1.00 0.00 H new ATOM 0 HA SER A 64 5.345 -9.189 -6.749 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.863 -11.576 -7.298 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.200 -11.097 -5.748 1.00 0.00 H new ATOM 0 HG SER A 64 2.730 -12.312 -7.176 1.00 0.00 H new ATOM 998 N ASP A 65 3.336 -8.776 -9.234 1.00 0.00 N ATOM 999 CA ASP A 65 3.250 -8.546 -10.672 1.00 0.00 C ATOM 1000 C ASP A 65 3.906 -7.222 -11.051 1.00 0.00 C ATOM 1001 O ASP A 65 4.287 -7.014 -12.204 1.00 0.00 O ATOM 1002 CB ASP A 65 1.789 -8.554 -11.125 1.00 0.00 C ATOM 1003 CG ASP A 65 1.628 -9.041 -12.551 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.498 -9.805 -13.020 1.00 0.00 O ATOM 1005 OD2 ASP A 65 0.630 -8.660 -13.199 1.00 0.00 O ATOM 0 H ASP A 65 2.501 -8.508 -8.713 1.00 0.00 H new ATOM 0 HA ASP A 65 3.783 -9.352 -11.176 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.208 -9.192 -10.459 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.380 -7.547 -11.039 1.00 0.00 H new ATOM 1010 N TYR A 66 4.035 -6.331 -10.075 1.00 0.00 N ATOM 1011 CA TYR A 66 4.642 -5.026 -10.307 1.00 0.00 C ATOM 1012 C TYR A 66 6.130 -5.049 -9.970 1.00 0.00 C ATOM 1013 O TYR A 66 6.779 -4.005 -9.901 1.00 0.00 O ATOM 1014 CB TYR A 66 3.935 -3.956 -9.473 1.00 0.00 C ATOM 1015 CG TYR A 66 2.642 -3.467 -10.085 1.00 0.00 C ATOM 1016 CD1 TYR A 66 2.639 -2.449 -11.030 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.423 -4.025 -9.718 1.00 0.00 C ATOM 1018 CE1 TYR A 66 1.459 -1.999 -11.591 1.00 0.00 C ATOM 1019 CE2 TYR A 66 0.239 -3.582 -10.275 1.00 0.00 C ATOM 1020 CZ TYR A 66 0.262 -2.568 -11.210 1.00 0.00 C ATOM 1021 OH TYR A 66 -0.915 -2.124 -11.768 1.00 0.00 O ATOM 0 H TYR A 66 3.727 -6.488 -9.115 1.00 0.00 H new ATOM 0 HA TYR A 66 4.532 -4.785 -11.364 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.728 -4.358 -8.481 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.607 -3.108 -9.340 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.575 -2.002 -11.331 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.401 -4.818 -8.985 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.474 -1.206 -12.324 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.700 -4.027 -9.980 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.745 -1.802 -12.678 1.00 0.00 H new ATOM 1031 N SER A 67 6.664 -6.248 -9.761 1.00 0.00 N ATOM 1032 CA SER A 67 8.074 -6.409 -9.428 1.00 0.00 C ATOM 1033 C SER A 67 8.401 -5.728 -8.103 1.00 0.00 C ATOM 1034 O SER A 67 9.415 -5.041 -7.979 1.00 0.00 O ATOM 1035 CB SER A 67 8.952 -5.833 -10.541 1.00 0.00 C ATOM 1036 OG SER A 67 10.268 -6.354 -10.474 1.00 0.00 O ATOM 0 H SER A 67 6.141 -7.122 -9.816 1.00 0.00 H new ATOM 0 HA SER A 67 8.279 -7.475 -9.329 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.514 -6.067 -11.511 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.983 -4.747 -10.458 1.00 0.00 H new ATOM 0 HG SER A 67 10.636 -6.199 -9.579 1.00 0.00 H new ATOM 1042 N ILE A 68 7.534 -5.924 -7.115 1.00 0.00 N ATOM 1043 CA ILE A 68 7.730 -5.329 -5.799 1.00 0.00 C ATOM 1044 C ILE A 68 7.961 -6.402 -4.740 1.00 0.00 C ATOM 1045 O ILE A 68 7.014 -6.986 -4.215 1.00 0.00 O ATOM 1046 CB ILE A 68 6.523 -4.467 -5.385 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.386 -3.262 -6.316 1.00 0.00 C ATOM 1048 CG2 ILE A 68 6.667 -4.014 -3.940 1.00 0.00 C ATOM 1049 CD1 ILE A 68 5.059 -2.546 -6.187 1.00 0.00 C ATOM 0 H ILE A 68 6.690 -6.490 -7.201 1.00 0.00 H new ATOM 0 HA ILE A 68 8.613 -4.694 -5.868 1.00 0.00 H new ATOM 0 HB ILE A 68 5.619 -5.070 -5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.191 -2.558 -6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.512 -3.593 -7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.806 -3.406 -3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.720 -4.886 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.578 -3.425 -3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.032 -1.702 -6.877 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.249 -3.235 -6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.939 -2.184 -5.166 1.00 0.00 H new ATOM 1061 N GLY A 69 9.229 -6.657 -4.430 1.00 0.00 N ATOM 1062 CA GLY A 69 9.563 -7.658 -3.434 1.00 0.00 C ATOM 1063 C GLY A 69 9.565 -7.097 -2.026 1.00 0.00 C ATOM 1064 O GLY A 69 8.960 -6.062 -1.746 1.00 0.00 O ATOM 0 H GLY A 69 10.031 -6.188 -4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.848 -8.478 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.545 -8.075 -3.657 1.00 0.00 H new ATOM 1068 N PRO A 70 10.259 -7.789 -1.110 1.00 0.00 N ATOM 1069 CA PRO A 70 10.354 -7.373 0.292 1.00 0.00 C ATOM 1070 C PRO A 70 11.192 -6.112 0.467 1.00 0.00 C ATOM 1071 O PRO A 70 11.976 -5.750 -0.409 1.00 0.00 O ATOM 1072 CB PRO A 70 11.032 -8.565 0.971 1.00 0.00 C ATOM 1073 CG PRO A 70 11.804 -9.231 -0.115 1.00 0.00 C ATOM 1074 CD PRO A 70 11.005 -9.031 -1.373 1.00 0.00 C ATOM 0 HA PRO A 70 9.378 -7.125 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.686 -8.240 1.780 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.298 -9.242 1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.798 -8.795 -0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 70 11.940 -10.292 0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.649 -8.935 -2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.335 -9.870 -1.561 1.00 0.00 H new ATOM 1082 N ASN A 71 11.022 -5.447 1.605 1.00 0.00 N ATOM 1083 CA ASN A 71 11.765 -4.225 1.895 1.00 0.00 C ATOM 1084 C ASN A 71 11.419 -3.128 0.892 1.00 0.00 C ATOM 1085 O ASN A 71 12.290 -2.375 0.457 1.00 0.00 O ATOM 1086 CB ASN A 71 13.270 -4.500 1.870 1.00 0.00 C ATOM 1087 CG ASN A 71 14.045 -3.552 2.764 1.00 0.00 C ATOM 1088 OD1 ASN A 71 14.764 -2.675 2.283 1.00 0.00 O ATOM 1089 ND2 ASN A 71 13.904 -3.725 4.073 1.00 0.00 N ATOM 0 H ASN A 71 10.377 -5.733 2.341 1.00 0.00 H new ATOM 0 HA ASN A 71 11.482 -3.884 2.891 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.454 -5.526 2.187 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.636 -4.411 0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.402 -3.118 4.724 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.298 -4.465 4.427 1.00 0.00 H new ATOM 1096 N SER A 72 10.143 -3.044 0.531 1.00 0.00 N ATOM 1097 CA SER A 72 9.683 -2.042 -0.422 1.00 0.00 C ATOM 1098 C SER A 72 8.912 -0.932 0.286 1.00 0.00 C ATOM 1099 O SER A 72 8.160 -1.184 1.227 1.00 0.00 O ATOM 1100 CB SER A 72 8.799 -2.690 -1.489 1.00 0.00 C ATOM 1101 OG SER A 72 9.576 -3.172 -2.572 1.00 0.00 O ATOM 0 H SER A 72 9.409 -3.658 0.884 1.00 0.00 H new ATOM 0 HA SER A 72 10.559 -1.604 -0.902 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.235 -3.512 -1.048 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.072 -1.964 -1.854 1.00 0.00 H new ATOM 0 HG SER A 72 9.569 -4.152 -2.569 1.00 0.00 H new ATOM 1107 N LYS A 73 9.106 0.300 -0.173 1.00 0.00 N ATOM 1108 CA LYS A 73 8.431 1.451 0.413 1.00 0.00 C ATOM 1109 C LYS A 73 7.458 2.076 -0.581 1.00 0.00 C ATOM 1110 O LYS A 73 7.843 2.453 -1.689 1.00 0.00 O ATOM 1111 CB LYS A 73 9.455 2.494 0.865 1.00 0.00 C ATOM 1112 CG LYS A 73 8.875 3.562 1.776 1.00 0.00 C ATOM 1113 CD LYS A 73 9.899 4.637 2.099 1.00 0.00 C ATOM 1114 CE LYS A 73 9.233 5.976 2.376 1.00 0.00 C ATOM 1115 NZ LYS A 73 10.171 7.115 2.170 1.00 0.00 N ATOM 0 H LYS A 73 9.726 0.527 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 73 7.866 1.106 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.270 1.989 1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.885 2.973 -0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.007 4.017 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.525 3.102 2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.484 4.334 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.594 4.741 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.369 6.094 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.862 5.992 3.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.628 7.988 2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.773 7.225 3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.768 6.927 1.339 1.00 0.00 H new ATOM 1129 N LEU A 74 6.196 2.185 -0.179 1.00 0.00 N ATOM 1130 CA LEU A 74 5.168 2.767 -1.035 1.00 0.00 C ATOM 1131 C LEU A 74 4.757 4.147 -0.532 1.00 0.00 C ATOM 1132 O LEU A 74 4.844 4.435 0.661 1.00 0.00 O ATOM 1133 CB LEU A 74 3.946 1.848 -1.094 1.00 0.00 C ATOM 1134 CG LEU A 74 4.105 0.572 -1.921 1.00 0.00 C ATOM 1135 CD1 LEU A 74 3.190 -0.522 -1.394 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.818 0.849 -3.389 1.00 0.00 C ATOM 0 H LEU A 74 5.860 1.878 0.734 1.00 0.00 H new ATOM 0 HA LEU A 74 5.583 2.875 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.679 1.566 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.108 2.416 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 74 5.136 0.229 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.316 -1.423 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.443 -0.739 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.154 -0.189 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.936 -0.070 -3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.797 1.216 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.515 1.600 -3.760 1.00 0.00 H new ATOM 1148 N ASN A 75 4.307 4.996 -1.450 1.00 0.00 N ATOM 1149 CA ASN A 75 3.881 6.346 -1.099 1.00 0.00 C ATOM 1150 C ASN A 75 2.361 6.429 -1.006 1.00 0.00 C ATOM 1151 O ASN A 75 1.645 5.844 -1.820 1.00 0.00 O ATOM 1152 CB ASN A 75 4.396 7.351 -2.132 1.00 0.00 C ATOM 1153 CG ASN A 75 4.646 8.720 -1.532 1.00 0.00 C ATOM 1154 OD1 ASN A 75 3.751 9.324 -0.941 1.00 0.00 O ATOM 1155 ND2 ASN A 75 5.868 9.218 -1.682 1.00 0.00 N ATOM 0 H ASN A 75 4.228 4.773 -2.442 1.00 0.00 H new ATOM 0 HA ASN A 75 4.301 6.591 -0.123 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.320 6.975 -2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.672 7.439 -2.942 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.095 10.136 -1.300 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.579 8.682 -2.179 1.00 0.00 H new ATOM 1162 N LEU A 76 1.874 7.161 -0.010 1.00 0.00 N ATOM 1163 CA LEU A 76 0.438 7.322 0.190 1.00 0.00 C ATOM 1164 C LEU A 76 -0.008 8.733 -0.180 1.00 0.00 C ATOM 1165 O LEU A 76 0.560 9.719 0.290 1.00 0.00 O ATOM 1166 CB LEU A 76 0.068 7.023 1.644 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.402 6.697 1.910 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.754 5.328 1.350 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.701 6.759 3.400 1.00 0.00 C ATOM 0 H LEU A 76 2.452 7.652 0.672 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.076 6.615 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.673 6.184 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.344 7.884 2.252 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.017 7.442 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.804 5.113 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.579 5.319 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.132 4.570 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.752 6.524 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.078 6.036 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.488 7.761 3.772 1.00 0.00 H new ATOM 1181 N VAL A 77 -1.031 8.823 -1.025 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.556 10.113 -1.455 1.00 0.00 C ATOM 1183 C VAL A 77 -3.058 10.204 -1.211 1.00 0.00 C ATOM 1184 O VAL A 77 -3.789 9.232 -1.398 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.274 10.363 -2.949 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.566 11.811 -3.312 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.163 9.999 -3.287 1.00 0.00 C ATOM 0 H VAL A 77 -1.512 8.017 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.048 10.875 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.934 9.726 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.361 11.969 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.613 12.033 -3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.933 12.470 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.345 10.182 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.842 10.609 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.333 8.945 -3.066 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.513 11.380 -0.791 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.929 11.600 -0.521 1.00 0.00 C ATOM 1199 C VAL A 78 -5.590 12.378 -1.654 1.00 0.00 C ATOM 1200 O VAL A 78 -5.588 13.609 -1.662 1.00 0.00 O ATOM 1201 CB VAL A 78 -5.137 12.364 0.800 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -6.619 12.597 1.055 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -4.501 11.609 1.957 1.00 0.00 C ATOM 0 H VAL A 78 -2.922 12.195 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.392 10.617 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.650 13.336 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.746 13.138 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.041 13.182 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.133 11.638 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.657 12.163 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.957 10.623 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.432 11.499 1.776 1.00 0.00 H new ATOM 1213 N LYS A 79 -6.156 11.650 -2.612 1.00 0.00 N ATOM 1214 CA LYS A 79 -6.823 12.270 -3.751 1.00 0.00 C ATOM 1215 C LYS A 79 -7.797 13.349 -3.289 1.00 0.00 C ATOM 1216 O LYS A 79 -8.453 13.226 -2.255 1.00 0.00 O ATOM 1217 CB LYS A 79 -7.567 11.213 -4.570 1.00 0.00 C ATOM 1218 CG LYS A 79 -6.695 10.520 -5.603 1.00 0.00 C ATOM 1219 CD LYS A 79 -6.398 11.431 -6.782 1.00 0.00 C ATOM 1220 CE LYS A 79 -5.949 10.637 -8.000 1.00 0.00 C ATOM 1221 NZ LYS A 79 -7.098 10.000 -8.701 1.00 0.00 N ATOM 0 H LYS A 79 -6.166 10.630 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.062 12.736 -4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.979 10.464 -3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.410 11.684 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.760 10.206 -5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.194 9.618 -5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.288 12.008 -7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.622 12.145 -6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.423 11.297 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.240 9.868 -7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.759 9.525 -9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.544 9.301 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.795 10.728 -8.958 1.00 0.00 H new ATOM 1235 N PRO A 80 -7.896 14.433 -4.074 1.00 0.00 N ATOM 1236 CA PRO A 80 -8.790 15.553 -3.767 1.00 0.00 C ATOM 1237 C PRO A 80 -10.260 15.183 -3.926 1.00 0.00 C ATOM 1238 O PRO A 80 -10.644 14.525 -4.894 1.00 0.00 O ATOM 1239 CB PRO A 80 -8.392 16.616 -4.794 1.00 0.00 C ATOM 1240 CG PRO A 80 -7.815 15.846 -5.932 1.00 0.00 C ATOM 1241 CD PRO A 80 -7.144 14.647 -5.322 1.00 0.00 C ATOM 0 HA PRO A 80 -8.691 15.881 -2.732 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -9.254 17.203 -5.110 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.665 17.314 -4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.593 15.543 -6.633 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.101 16.451 -6.490 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.199 13.778 -5.978 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.088 14.833 -5.128 1.00 0.00 H new ATOM 1249 N LEU A 81 -11.079 15.608 -2.971 1.00 0.00 N ATOM 1250 CA LEU A 81 -12.509 15.321 -3.005 1.00 0.00 C ATOM 1251 C LEU A 81 -13.288 16.503 -3.573 1.00 0.00 C ATOM 1252 O LEU A 81 -12.731 17.578 -3.795 1.00 0.00 O ATOM 1253 CB LEU A 81 -13.017 14.989 -1.601 1.00 0.00 C ATOM 1254 CG LEU A 81 -13.184 16.175 -0.650 1.00 0.00 C ATOM 1255 CD1 LEU A 81 -14.289 15.899 0.358 1.00 0.00 C ATOM 1256 CD2 LEU A 81 -11.873 16.476 0.063 1.00 0.00 C ATOM 0 H LEU A 81 -10.778 16.153 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.666 14.460 -3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.979 14.485 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.328 14.278 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.465 17.050 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.394 16.754 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -15.229 15.733 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -14.038 15.012 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.011 17.323 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.562 15.603 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.106 16.718 -0.673 1.00 0.00 H new TER 1268 LEU A 81