USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 679 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 5 LYS NZ :NH3+ 140:sc= -0.14 (180deg=-1.02) USER MOD Set 1.2: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 2 LYS NZ :NH3+ 153:sc= -0.175 (180deg=-0.9) USER MOD Single : A 1 MET N :NH3+ -159:sc= 0.102! (180deg=-2.73!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 43:sc= 0.498 USER MOD Single : A 16 THR OG1 : rot -97:sc= 1.21 USER MOD Single : A 21 SER OG : rot -25:sc= 0.361 USER MOD Single : A 22 SER OG : rot 82:sc= 1.05 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.633 USER MOD Single : A 37 SER OG : rot -75:sc= -1.73 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00183 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 60 TYR OH : rot 124:sc= 0.68 USER MOD Single : A 63 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.42) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 71 SER OG : rot -59:sc= 0.00642 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.65 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.5!) USER MOD Single : A 80 LYS NZ :NH3+ 133:sc= -0.211 (180deg=-0.953) USER MOD Single : A 81 LYS NZ :NH3+ -160:sc= -0.0489 (180deg=-0.504) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.901 9.935 -5.250 1.00 0.00 N ATOM 2 CA MET A 1 -11.895 9.883 -4.141 1.00 0.00 C ATOM 3 C MET A 1 -11.279 9.162 -2.944 1.00 0.00 C ATOM 4 O MET A 1 -11.782 9.256 -1.823 1.00 0.00 O ATOM 5 CB MET A 1 -13.158 9.146 -4.621 1.00 0.00 C ATOM 6 CG MET A 1 -13.370 9.404 -6.117 1.00 0.00 C ATOM 7 SD MET A 1 -12.240 8.366 -7.077 1.00 0.00 S ATOM 8 CE MET A 1 -13.285 6.890 -7.148 1.00 0.00 C ATOM 0 H1 MET A 1 -11.154 10.700 -5.907 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.954 10.113 -4.859 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.901 9.028 -5.759 1.00 0.00 H new ATOM 0 HA MET A 1 -12.171 10.894 -3.841 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.058 8.076 -4.437 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.026 9.487 -4.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.402 9.186 -6.391 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.195 10.456 -6.344 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.772 6.107 -7.707 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.489 6.540 -6.136 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.225 7.133 -7.644 1.00 0.00 H new ATOM 20 N LYS A 2 -10.189 8.441 -3.191 1.00 0.00 N ATOM 21 CA LYS A 2 -9.508 7.701 -2.131 1.00 0.00 C ATOM 22 C LYS A 2 -8.027 7.539 -2.465 1.00 0.00 C ATOM 23 O LYS A 2 -7.453 6.467 -2.272 1.00 0.00 O ATOM 24 CB LYS A 2 -10.146 6.319 -1.968 1.00 0.00 C ATOM 25 CG LYS A 2 -10.322 5.676 -3.349 1.00 0.00 C ATOM 26 CD LYS A 2 -10.750 4.205 -3.210 1.00 0.00 C ATOM 27 CE LYS A 2 -12.259 4.113 -2.952 1.00 0.00 C ATOM 28 NZ LYS A 2 -12.997 4.628 -4.139 1.00 0.00 N ATOM 0 H LYS A 2 -9.759 8.353 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.605 8.259 -1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.519 5.688 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.111 6.408 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.070 6.226 -3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.387 5.737 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.495 3.657 -4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.205 3.736 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.543 3.079 -2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.524 4.691 -2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.933 4.177 -4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.114 5.658 -4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.461 4.409 -5.003 1.00 0.00 H new ATOM 42 N ASP A 3 -7.416 8.604 -2.975 1.00 0.00 N ATOM 43 CA ASP A 3 -6.006 8.554 -3.341 1.00 0.00 C ATOM 44 C ASP A 3 -5.114 8.451 -2.094 1.00 0.00 C ATOM 45 O ASP A 3 -5.484 8.942 -1.028 1.00 0.00 O ATOM 46 CB ASP A 3 -5.635 9.799 -4.154 1.00 0.00 C ATOM 47 CG ASP A 3 -6.258 9.716 -5.547 1.00 0.00 C ATOM 48 OD1 ASP A 3 -6.639 8.623 -5.933 1.00 0.00 O ATOM 49 OD2 ASP A 3 -6.310 10.733 -6.219 1.00 0.00 O ATOM 0 H ASP A 3 -7.869 9.502 -3.143 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.841 7.664 -3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.985 10.696 -3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.551 9.881 -4.235 1.00 0.00 H new ATOM 54 N PRO A 4 -3.948 7.833 -2.199 1.00 0.00 N ATOM 55 CA PRO A 4 -3.009 7.683 -1.039 1.00 0.00 C ATOM 56 C PRO A 4 -2.775 8.986 -0.271 1.00 0.00 C ATOM 57 O PRO A 4 -2.252 8.969 0.841 1.00 0.00 O ATOM 58 CB PRO A 4 -1.699 7.221 -1.695 1.00 0.00 C ATOM 59 CG PRO A 4 -2.120 6.496 -2.926 1.00 0.00 C ATOM 60 CD PRO A 4 -3.390 7.198 -3.419 1.00 0.00 C ATOM 0 HA PRO A 4 -3.412 6.993 -0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.058 8.069 -1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.131 6.571 -1.029 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.338 6.528 -3.684 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.314 5.445 -2.712 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.164 7.938 -4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.093 6.489 -3.857 1.00 0.00 H new ATOM 68 N LYS A 5 -3.156 10.111 -0.858 1.00 0.00 N ATOM 69 CA LYS A 5 -2.968 11.398 -0.201 1.00 0.00 C ATOM 70 C LYS A 5 -4.012 11.662 0.887 1.00 0.00 C ATOM 71 O LYS A 5 -3.683 11.939 2.035 1.00 0.00 O ATOM 72 CB LYS A 5 -3.063 12.508 -1.251 1.00 0.00 C ATOM 73 CG LYS A 5 -2.905 13.876 -0.574 1.00 0.00 C ATOM 74 CD LYS A 5 -2.689 14.977 -1.624 1.00 0.00 C ATOM 75 CE LYS A 5 -3.994 15.261 -2.376 1.00 0.00 C ATOM 76 NZ LYS A 5 -5.046 15.677 -1.407 1.00 0.00 N ATOM 0 H LYS A 5 -3.593 10.161 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.989 11.382 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.289 12.374 -2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.023 12.455 -1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.793 14.100 0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.060 13.852 0.115 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.336 15.887 -1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.915 14.670 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.836 16.045 -3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.315 14.371 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.609 16.449 -1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.666 14.868 -1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.598 16.004 -0.527 1.00 0.00 H new ATOM 90 N THR A 6 -5.271 11.512 0.486 1.00 0.00 N ATOM 91 CA THR A 6 -6.434 11.662 1.370 1.00 0.00 C ATOM 92 C THR A 6 -6.671 10.394 2.206 1.00 0.00 C ATOM 93 O THR A 6 -7.154 10.435 3.338 1.00 0.00 O ATOM 94 CB THR A 6 -7.681 11.962 0.533 1.00 0.00 C ATOM 95 OG1 THR A 6 -7.474 13.156 -0.210 1.00 0.00 O ATOM 96 CG2 THR A 6 -8.890 12.139 1.454 1.00 0.00 C ATOM 0 H THR A 6 -5.521 11.279 -0.475 1.00 0.00 H new ATOM 0 HA THR A 6 -6.235 12.488 2.053 1.00 0.00 H new ATOM 0 HB THR A 6 -7.866 11.133 -0.150 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.270 13.349 -0.748 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.775 12.352 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.050 11.224 2.025 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.707 12.967 2.139 1.00 0.00 H new ATOM 104 N LEU A 7 -6.291 9.287 1.599 1.00 0.00 N ATOM 105 CA LEU A 7 -6.416 7.972 2.241 1.00 0.00 C ATOM 106 C LEU A 7 -5.534 7.916 3.504 1.00 0.00 C ATOM 107 O LEU A 7 -5.988 7.535 4.583 1.00 0.00 O ATOM 108 CB LEU A 7 -6.010 6.861 1.254 1.00 0.00 C ATOM 109 CG LEU A 7 -6.714 5.528 1.586 1.00 0.00 C ATOM 110 CD1 LEU A 7 -6.427 5.123 3.037 1.00 0.00 C ATOM 111 CD2 LEU A 7 -8.240 5.648 1.364 1.00 0.00 C ATOM 0 H LEU A 7 -5.891 9.261 0.661 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.455 7.816 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.263 7.165 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.929 6.721 1.285 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.324 4.759 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.929 4.181 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.353 5.002 3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.795 5.897 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.718 4.698 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.641 6.429 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.437 5.901 0.322 1.00 0.00 H new ATOM 123 N LEU A 8 -4.289 8.346 3.354 1.00 0.00 N ATOM 124 CA LEU A 8 -3.293 8.421 4.431 1.00 0.00 C ATOM 125 C LEU A 8 -3.534 9.618 5.364 1.00 0.00 C ATOM 126 O LEU A 8 -3.090 9.649 6.511 1.00 0.00 O ATOM 127 CB LEU A 8 -1.890 8.536 3.825 1.00 0.00 C ATOM 128 CG LEU A 8 -1.558 7.278 3.001 1.00 0.00 C ATOM 129 CD1 LEU A 8 -0.213 7.483 2.292 1.00 0.00 C ATOM 130 CD2 LEU A 8 -1.473 6.039 3.917 1.00 0.00 C ATOM 0 H LEU A 8 -3.926 8.663 2.455 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.384 7.510 5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.832 9.420 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.153 8.664 4.618 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.347 7.115 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.029 6.596 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.278 8.347 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.567 7.652 3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.238 5.159 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.692 6.190 4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.429 5.891 4.419 1.00 0.00 H new ATOM 142 N ARG A 9 -4.267 10.582 4.822 1.00 0.00 N ATOM 143 CA ARG A 9 -4.629 11.805 5.548 1.00 0.00 C ATOM 144 C ARG A 9 -5.568 11.516 6.716 1.00 0.00 C ATOM 145 O ARG A 9 -5.516 12.188 7.744 1.00 0.00 O ATOM 146 CB ARG A 9 -5.315 12.807 4.626 1.00 0.00 C ATOM 147 CG ARG A 9 -5.627 14.089 5.402 1.00 0.00 C ATOM 148 CD ARG A 9 -6.046 15.184 4.420 1.00 0.00 C ATOM 149 NE ARG A 9 -6.408 16.405 5.140 1.00 0.00 N ATOM 150 CZ ARG A 9 -7.658 16.639 5.526 1.00 0.00 C ATOM 151 NH1 ARG A 9 -8.594 15.765 5.273 1.00 0.00 N ATOM 152 NH2 ARG A 9 -7.950 17.743 6.157 1.00 0.00 N ATOM 0 H ARG A 9 -4.629 10.544 3.869 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.696 12.221 5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.672 13.032 3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.234 12.379 4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.424 13.907 6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.752 14.407 5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.230 15.391 3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.892 14.842 3.823 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.684 17.092 5.351 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.366 14.902 4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.553 15.945 5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.219 18.426 6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.909 17.923 6.453 1.00 0.00 H new ATOM 166 N VAL A 10 -6.427 10.518 6.548 1.00 0.00 N ATOM 167 CA VAL A 10 -7.388 10.137 7.577 1.00 0.00 C ATOM 168 C VAL A 10 -6.723 9.529 8.812 1.00 0.00 C ATOM 169 O VAL A 10 -7.176 9.784 9.927 1.00 0.00 O ATOM 170 CB VAL A 10 -8.410 9.154 6.992 1.00 0.00 C ATOM 171 CG1 VAL A 10 -9.322 8.618 8.102 1.00 0.00 C ATOM 172 CG2 VAL A 10 -9.257 9.875 5.940 1.00 0.00 C ATOM 0 H VAL A 10 -6.478 9.953 5.700 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.889 11.048 7.904 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.882 8.318 6.533 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.043 7.921 7.675 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.720 8.104 8.851 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.852 9.448 8.570 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.985 9.181 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.779 10.712 6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.611 10.247 5.145 1.00 0.00 H new ATOM 182 N SER A 11 -5.685 8.719 8.661 1.00 0.00 N ATOM 183 CA SER A 11 -5.071 8.133 9.844 1.00 0.00 C ATOM 184 C SER A 11 -4.297 9.166 10.670 1.00 0.00 C ATOM 185 O SER A 11 -4.491 9.246 11.851 1.00 0.00 O ATOM 186 CB SER A 11 -4.128 7.003 9.429 1.00 0.00 C ATOM 187 OG SER A 11 -4.880 5.972 8.803 1.00 0.00 O ATOM 0 H SER A 11 -5.263 8.460 7.769 1.00 0.00 H new ATOM 0 HA SER A 11 -5.875 7.745 10.470 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.367 7.381 8.746 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.606 6.610 10.301 1.00 0.00 H new ATOM 0 HG SER A 11 -4.279 5.246 8.534 1.00 0.00 H new ATOM 193 N ILE A 12 -3.395 9.909 10.062 1.00 0.00 N ATOM 194 CA ILE A 12 -2.572 10.863 10.834 1.00 0.00 C ATOM 195 C ILE A 12 -3.422 11.898 11.606 1.00 0.00 C ATOM 196 O ILE A 12 -3.262 12.119 12.804 1.00 0.00 O ATOM 197 CB ILE A 12 -1.655 11.608 9.854 1.00 0.00 C ATOM 198 CG1 ILE A 12 -0.639 10.620 9.270 1.00 0.00 C ATOM 199 CG2 ILE A 12 -0.903 12.726 10.588 1.00 0.00 C ATOM 200 CD1 ILE A 12 0.096 11.272 8.097 1.00 0.00 C ATOM 0 H ILE A 12 -3.204 9.885 9.060 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.004 10.295 11.571 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.257 12.043 9.056 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.074 10.320 10.038 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.147 9.715 8.936 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.254 13.250 9.886 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.620 13.428 11.013 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.300 12.295 11.387 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.818 10.568 7.683 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.623 11.550 7.326 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.617 12.164 8.445 1.00 0.00 H new ATOM 212 N ILE A 13 -4.325 12.482 10.867 1.00 0.00 N ATOM 213 CA ILE A 13 -5.239 13.482 11.442 1.00 0.00 C ATOM 214 C ILE A 13 -6.050 12.866 12.616 1.00 0.00 C ATOM 215 O ILE A 13 -6.252 13.511 13.644 1.00 0.00 O ATOM 216 CB ILE A 13 -6.170 14.084 10.372 1.00 0.00 C ATOM 217 CG1 ILE A 13 -7.166 13.017 9.846 1.00 0.00 C ATOM 218 CG2 ILE A 13 -5.319 14.627 9.213 1.00 0.00 C ATOM 219 CD1 ILE A 13 -8.502 13.082 10.608 1.00 0.00 C ATOM 0 H ILE A 13 -4.462 12.298 9.873 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.636 14.300 11.836 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.747 14.895 10.818 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.343 13.173 8.782 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.730 12.024 9.954 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.971 15.055 8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.644 15.397 9.587 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.737 13.815 8.777 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.180 12.323 10.218 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.325 12.901 11.668 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.947 14.068 10.478 1.00 0.00 H new ATOM 231 N GLY A 14 -6.425 11.598 12.471 1.00 0.00 N ATOM 232 CA GLY A 14 -7.125 10.860 13.559 1.00 0.00 C ATOM 233 C GLY A 14 -6.110 10.263 14.573 1.00 0.00 C ATOM 234 O GLY A 14 -6.228 10.388 15.792 1.00 0.00 O ATOM 0 H GLY A 14 -6.265 11.050 11.626 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.809 11.532 14.077 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.729 10.060 13.130 1.00 0.00 H new ATOM 238 N THR A 15 -5.165 9.573 13.971 1.00 0.00 N ATOM 239 CA THR A 15 -4.089 8.835 14.669 1.00 0.00 C ATOM 240 C THR A 15 -3.259 9.736 15.585 1.00 0.00 C ATOM 241 O THR A 15 -2.723 9.266 16.588 1.00 0.00 O ATOM 242 CB THR A 15 -3.148 8.107 13.700 1.00 0.00 C ATOM 243 OG1 THR A 15 -3.903 7.229 12.878 1.00 0.00 O ATOM 244 CG2 THR A 15 -2.127 7.291 14.496 1.00 0.00 C ATOM 0 H THR A 15 -5.106 9.497 12.956 1.00 0.00 H new ATOM 0 HA THR A 15 -4.607 8.094 15.278 1.00 0.00 H new ATOM 0 HB THR A 15 -2.631 8.840 13.080 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.719 7.681 12.580 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.458 6.774 13.808 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.546 7.957 15.134 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.648 6.560 15.114 1.00 0.00 H new ATOM 252 N THR A 16 -3.173 11.023 15.272 1.00 0.00 N ATOM 253 CA THR A 16 -2.431 11.965 16.108 1.00 0.00 C ATOM 254 C THR A 16 -3.215 12.325 17.368 1.00 0.00 C ATOM 255 O THR A 16 -2.633 12.669 18.397 1.00 0.00 O ATOM 256 CB THR A 16 -2.088 13.234 15.319 1.00 0.00 C ATOM 257 OG1 THR A 16 -3.272 13.767 14.743 1.00 0.00 O ATOM 258 CG2 THR A 16 -1.065 12.914 14.217 1.00 0.00 C ATOM 0 H THR A 16 -3.606 11.440 14.448 1.00 0.00 H new ATOM 0 HA THR A 16 -1.504 11.478 16.412 1.00 0.00 H new ATOM 0 HB THR A 16 -1.652 13.969 15.995 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.346 13.469 13.812 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.830 13.823 13.664 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.155 12.518 14.669 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.484 12.173 13.536 1.00 0.00 H new ATOM 266 N LEU A 17 -4.537 12.281 17.261 1.00 0.00 N ATOM 267 CA LEU A 17 -5.451 12.632 18.346 1.00 0.00 C ATOM 268 C LEU A 17 -5.487 11.632 19.500 1.00 0.00 C ATOM 269 O LEU A 17 -5.857 12.018 20.609 1.00 0.00 O ATOM 270 CB LEU A 17 -6.868 12.813 17.795 1.00 0.00 C ATOM 271 CG LEU A 17 -6.897 13.952 16.764 1.00 0.00 C ATOM 272 CD1 LEU A 17 -8.304 14.053 16.159 1.00 0.00 C ATOM 273 CD2 LEU A 17 -6.524 15.291 17.432 1.00 0.00 C ATOM 0 H LEU A 17 -5.014 11.996 16.405 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.063 13.562 18.761 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.207 11.886 17.333 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.557 13.033 18.610 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.172 13.739 15.979 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.328 14.860 15.427 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.558 13.112 15.670 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.026 14.258 16.949 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.549 16.088 16.689 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.237 15.513 18.226 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.522 15.220 17.854 1.00 0.00 H new ATOM 285 N VAL A 18 -5.144 10.362 19.295 1.00 0.00 N ATOM 286 CA VAL A 18 -5.222 9.436 20.422 1.00 0.00 C ATOM 287 C VAL A 18 -4.414 10.003 21.590 1.00 0.00 C ATOM 288 O VAL A 18 -4.891 10.102 22.720 1.00 0.00 O ATOM 289 CB VAL A 18 -4.692 8.054 20.018 1.00 0.00 C ATOM 290 CG1 VAL A 18 -3.218 8.146 19.607 1.00 0.00 C ATOM 291 CG2 VAL A 18 -4.836 7.093 21.201 1.00 0.00 C ATOM 0 H VAL A 18 -4.826 9.966 18.410 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.262 9.319 20.726 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.269 7.686 19.169 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.857 7.157 19.323 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.118 8.826 18.761 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.629 8.521 20.444 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.461 6.109 20.919 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.263 7.470 22.048 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.887 7.014 21.480 1.00 0.00 H new ATOM 301 N ALA A 19 -3.172 10.356 21.277 1.00 0.00 N ATOM 302 CA ALA A 19 -2.232 10.905 22.247 1.00 0.00 C ATOM 303 C ALA A 19 -2.794 12.153 22.923 1.00 0.00 C ATOM 304 O ALA A 19 -2.485 12.432 24.082 1.00 0.00 O ATOM 305 CB ALA A 19 -0.917 11.256 21.550 1.00 0.00 C ATOM 0 H ALA A 19 -2.787 10.269 20.337 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.059 10.148 23.012 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.217 11.666 22.278 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.491 10.358 21.103 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.104 11.995 20.771 1.00 0.00 H new ATOM 311 N LEU A 20 -3.621 12.897 22.199 1.00 0.00 N ATOM 312 CA LEU A 20 -4.215 14.108 22.757 1.00 0.00 C ATOM 313 C LEU A 20 -5.228 13.754 23.854 1.00 0.00 C ATOM 314 O LEU A 20 -5.185 14.330 24.941 1.00 0.00 O ATOM 315 CB LEU A 20 -4.880 14.937 21.639 1.00 0.00 C ATOM 316 CG LEU A 20 -4.840 16.445 21.968 1.00 0.00 C ATOM 317 CD1 LEU A 20 -5.459 16.697 23.349 1.00 0.00 C ATOM 318 CD2 LEU A 20 -3.385 16.969 21.941 1.00 0.00 C ATOM 0 H LEU A 20 -3.893 12.689 21.238 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.427 14.710 23.209 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.370 14.754 20.693 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.914 14.617 21.510 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.417 16.979 21.213 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.427 17.763 23.573 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.495 16.357 23.351 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.896 16.150 24.105 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.377 18.034 22.175 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.791 16.431 22.679 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.960 16.813 20.949 1.00 0.00 H new ATOM 330 N SER A 21 -6.128 12.808 23.590 1.00 0.00 N ATOM 331 CA SER A 21 -7.117 12.421 24.597 1.00 0.00 C ATOM 332 C SER A 21 -6.496 11.534 25.676 1.00 0.00 C ATOM 333 O SER A 21 -7.034 11.400 26.765 1.00 0.00 O ATOM 334 CB SER A 21 -8.269 11.673 23.927 1.00 0.00 C ATOM 335 OG SER A 21 -7.801 10.420 23.447 1.00 0.00 O ATOM 0 H SER A 21 -6.194 12.304 22.706 1.00 0.00 H new ATOM 0 HA SER A 21 -7.487 13.330 25.072 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.082 11.522 24.638 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.671 12.263 23.104 1.00 0.00 H new ATOM 0 HG SER A 21 -6.836 10.471 23.286 1.00 0.00 H new ATOM 341 N SER A 22 -5.385 10.904 25.325 1.00 0.00 N ATOM 342 CA SER A 22 -4.691 9.993 26.246 1.00 0.00 C ATOM 343 C SER A 22 -3.744 10.731 27.203 1.00 0.00 C ATOM 344 O SER A 22 -3.335 10.173 28.221 1.00 0.00 O ATOM 345 CB SER A 22 -3.905 8.946 25.462 1.00 0.00 C ATOM 346 OG SER A 22 -4.803 8.178 24.671 1.00 0.00 O ATOM 0 H SER A 22 -4.939 11.001 24.413 1.00 0.00 H new ATOM 0 HA SER A 22 -5.460 9.510 26.849 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.166 9.432 24.825 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.359 8.297 26.147 1.00 0.00 H new ATOM 0 HG SER A 22 -5.007 8.662 23.844 1.00 0.00 H new ATOM 352 N PHE A 23 -3.420 11.986 26.900 1.00 0.00 N ATOM 353 CA PHE A 23 -2.539 12.741 27.815 1.00 0.00 C ATOM 354 C PHE A 23 -3.335 13.354 29.001 1.00 0.00 C ATOM 355 O PHE A 23 -2.826 13.348 30.122 1.00 0.00 O ATOM 356 CB PHE A 23 -1.773 13.832 27.041 1.00 0.00 C ATOM 357 CG PHE A 23 -0.431 13.310 26.550 1.00 0.00 C ATOM 358 CD1 PHE A 23 -0.318 12.012 26.038 1.00 0.00 C ATOM 359 CD2 PHE A 23 0.694 14.143 26.601 1.00 0.00 C ATOM 360 CE1 PHE A 23 0.920 11.546 25.578 1.00 0.00 C ATOM 361 CE2 PHE A 23 1.931 13.676 26.140 1.00 0.00 C ATOM 362 CZ PHE A 23 2.043 12.378 25.628 1.00 0.00 C ATOM 0 H PHE A 23 -3.732 12.491 26.071 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.817 12.043 28.238 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.369 14.168 26.193 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.617 14.698 27.684 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.186 11.370 25.998 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.607 15.145 26.996 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.007 10.544 25.185 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.799 14.317 26.179 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.997 12.019 25.271 1.00 0.00 H new ATOM 372 N THR A 24 -4.523 13.933 28.789 1.00 0.00 N ATOM 373 CA THR A 24 -5.259 14.587 29.900 1.00 0.00 C ATOM 374 C THR A 24 -5.828 13.639 30.979 1.00 0.00 C ATOM 375 O THR A 24 -5.884 14.002 32.154 1.00 0.00 O ATOM 376 CB THR A 24 -6.414 15.439 29.338 1.00 0.00 C ATOM 377 OG1 THR A 24 -7.609 14.672 29.323 1.00 0.00 O ATOM 378 CG2 THR A 24 -6.084 15.886 27.911 1.00 0.00 C ATOM 0 H THR A 24 -4.994 13.968 27.885 1.00 0.00 H new ATOM 0 HA THR A 24 -4.506 15.194 30.402 1.00 0.00 H new ATOM 0 HB THR A 24 -6.549 16.316 29.971 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.342 15.216 28.967 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.904 16.488 27.519 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.170 16.479 27.918 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.943 15.009 27.279 1.00 0.00 H new ATOM 386 N PRO A 25 -6.314 12.490 30.601 1.00 0.00 N ATOM 387 CA PRO A 25 -6.978 11.511 31.529 1.00 0.00 C ATOM 388 C PRO A 25 -6.240 11.223 32.836 1.00 0.00 C ATOM 389 O PRO A 25 -6.870 10.812 33.803 1.00 0.00 O ATOM 390 CB PRO A 25 -7.090 10.244 30.681 1.00 0.00 C ATOM 391 CG PRO A 25 -7.211 10.754 29.292 1.00 0.00 C ATOM 392 CD PRO A 25 -6.291 11.975 29.230 1.00 0.00 C ATOM 0 HA PRO A 25 -7.925 11.918 31.882 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.214 9.606 30.798 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.958 9.648 30.965 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.910 9.997 28.567 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.241 11.025 29.061 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.282 11.702 28.921 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.654 12.715 28.517 1.00 0.00 H new ATOM 400 N VAL A 26 -4.936 11.434 32.895 1.00 0.00 N ATOM 401 CA VAL A 26 -4.218 11.175 34.142 1.00 0.00 C ATOM 402 C VAL A 26 -4.796 12.022 35.285 1.00 0.00 C ATOM 403 O VAL A 26 -4.912 11.547 36.414 1.00 0.00 O ATOM 404 CB VAL A 26 -2.731 11.492 33.962 1.00 0.00 C ATOM 405 CG1 VAL A 26 -2.540 13.004 33.804 1.00 0.00 C ATOM 406 CG2 VAL A 26 -1.951 11.002 35.185 1.00 0.00 C ATOM 0 H VAL A 26 -4.363 11.773 32.123 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.335 10.122 34.397 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.361 10.987 33.069 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.480 13.225 33.676 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.091 13.351 32.930 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.912 13.513 34.693 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.893 11.228 35.056 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.323 11.503 36.079 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.082 9.925 35.292 1.00 0.00 H new ATOM 416 N LEU A 27 -5.106 13.282 35.002 1.00 0.00 N ATOM 417 CA LEU A 27 -5.612 14.216 36.014 1.00 0.00 C ATOM 418 C LEU A 27 -6.784 13.656 36.834 1.00 0.00 C ATOM 419 O LEU A 27 -6.992 14.063 37.977 1.00 0.00 O ATOM 420 CB LEU A 27 -6.071 15.498 35.304 1.00 0.00 C ATOM 421 CG LEU A 27 -6.563 16.543 36.321 1.00 0.00 C ATOM 422 CD1 LEU A 27 -5.431 16.918 37.291 1.00 0.00 C ATOM 423 CD2 LEU A 27 -7.021 17.793 35.559 1.00 0.00 C ATOM 0 H LEU A 27 -5.016 13.688 34.071 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.799 14.405 36.715 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.247 15.911 34.722 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.871 15.263 34.602 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.391 16.128 36.896 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.793 17.658 38.005 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.101 16.028 37.827 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.594 17.334 36.730 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.373 18.543 36.268 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.185 18.197 34.988 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.831 17.528 34.879 1.00 0.00 H new ATOM 435 N VAL A 28 -7.559 12.750 36.245 1.00 0.00 N ATOM 436 CA VAL A 28 -8.723 12.169 36.925 1.00 0.00 C ATOM 437 C VAL A 28 -8.306 11.235 38.062 1.00 0.00 C ATOM 438 O VAL A 28 -9.021 11.081 39.053 1.00 0.00 O ATOM 439 CB VAL A 28 -9.593 11.397 35.918 1.00 0.00 C ATOM 440 CG1 VAL A 28 -9.727 12.224 34.635 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.975 10.015 35.602 1.00 0.00 C ATOM 0 H VAL A 28 -7.406 12.399 35.299 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.296 12.991 37.354 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.579 11.231 36.353 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.342 11.683 33.916 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.195 13.181 34.866 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.739 12.397 34.209 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.608 9.488 34.888 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.981 10.150 35.175 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.900 9.432 36.520 1.00 0.00 H new ATOM 451 N ILE A 29 -7.142 10.624 37.903 1.00 0.00 N ATOM 452 CA ILE A 29 -6.620 9.709 38.910 1.00 0.00 C ATOM 453 C ILE A 29 -6.452 10.423 40.253 1.00 0.00 C ATOM 454 O ILE A 29 -6.792 9.857 41.292 1.00 0.00 O ATOM 455 CB ILE A 29 -5.281 9.123 38.447 1.00 0.00 C ATOM 456 CG1 ILE A 29 -5.523 8.195 37.253 1.00 0.00 C ATOM 457 CG2 ILE A 29 -4.640 8.323 39.585 1.00 0.00 C ATOM 458 CD1 ILE A 29 -4.185 7.822 36.612 1.00 0.00 C ATOM 0 H ILE A 29 -6.541 10.744 37.088 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.334 8.896 39.042 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.614 9.935 38.158 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.045 7.295 37.579 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.163 8.687 36.521 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.689 7.910 39.249 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.469 8.978 40.439 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.305 7.511 39.878 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.360 7.162 35.763 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.680 8.726 36.271 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.560 7.312 37.345 1.00 0.00 H new ATOM 470 N LEU A 30 -5.939 11.649 40.255 1.00 0.00 N ATOM 471 CA LEU A 30 -5.763 12.368 41.516 1.00 0.00 C ATOM 472 C LEU A 30 -7.067 12.365 42.325 1.00 0.00 C ATOM 473 O LEU A 30 -7.061 11.997 43.497 1.00 0.00 O ATOM 474 CB LEU A 30 -5.320 13.814 41.228 1.00 0.00 C ATOM 475 CG LEU A 30 -4.499 14.376 42.399 1.00 0.00 C ATOM 476 CD1 LEU A 30 -4.081 15.813 42.076 1.00 0.00 C ATOM 477 CD2 LEU A 30 -5.335 14.356 43.688 1.00 0.00 C ATOM 0 H LEU A 30 -5.644 12.157 39.421 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.995 11.866 42.104 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.726 13.842 40.315 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.196 14.440 41.058 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.612 13.760 42.547 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.498 16.217 42.904 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.477 15.821 41.169 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.970 16.425 41.925 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.744 14.756 44.511 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.228 14.966 43.552 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.627 13.331 43.916 1.00 0.00 H new ATOM 489 N LEU A 31 -8.181 12.790 41.746 1.00 0.00 N ATOM 490 CA LEU A 31 -9.424 12.825 42.513 1.00 0.00 C ATOM 491 C LEU A 31 -9.697 11.448 43.121 1.00 0.00 C ATOM 492 O LEU A 31 -10.115 11.317 44.269 1.00 0.00 O ATOM 493 CB LEU A 31 -10.585 13.200 41.574 1.00 0.00 C ATOM 494 CG LEU A 31 -10.612 14.717 41.352 1.00 0.00 C ATOM 495 CD1 LEU A 31 -9.278 15.174 40.760 1.00 0.00 C ATOM 496 CD2 LEU A 31 -11.745 15.069 40.383 1.00 0.00 C ATOM 0 H LEU A 31 -8.254 13.107 40.779 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.335 13.562 43.311 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.472 12.687 40.619 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.531 12.870 42.003 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.776 15.219 42.306 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.300 16.252 40.603 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.470 14.924 41.447 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.112 14.672 39.807 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.766 16.147 40.224 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.579 14.565 39.431 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.697 14.746 40.804 1.00 0.00 H new ATOM 508 N GLY A 32 -9.419 10.432 42.321 1.00 0.00 N ATOM 509 CA GLY A 32 -9.591 9.051 42.760 1.00 0.00 C ATOM 510 C GLY A 32 -8.653 8.756 43.933 1.00 0.00 C ATOM 511 O GLY A 32 -9.050 8.165 44.937 1.00 0.00 O ATOM 0 H GLY A 32 -9.074 10.533 41.366 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.625 8.882 43.059 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.382 8.369 41.935 1.00 0.00 H new ATOM 515 N VAL A 33 -7.416 9.230 43.800 1.00 0.00 N ATOM 516 CA VAL A 33 -6.444 9.060 44.884 1.00 0.00 C ATOM 517 C VAL A 33 -7.080 9.662 46.142 1.00 0.00 C ATOM 518 O VAL A 33 -7.101 9.036 47.201 1.00 0.00 O ATOM 519 CB VAL A 33 -5.110 9.745 44.565 1.00 0.00 C ATOM 520 CG1 VAL A 33 -4.219 9.730 45.809 1.00 0.00 C ATOM 521 CG2 VAL A 33 -4.413 8.993 43.430 1.00 0.00 C ATOM 0 H VAL A 33 -7.067 9.722 42.978 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.214 8.004 45.024 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.292 10.776 44.262 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.270 10.217 45.583 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.716 10.263 46.619 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.035 8.699 46.112 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.464 9.478 43.201 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.230 7.963 43.735 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.048 9.002 42.544 1.00 0.00 H new ATOM 531 N VAL A 34 -7.602 10.878 46.017 1.00 0.00 N ATOM 532 CA VAL A 34 -8.237 11.528 47.162 1.00 0.00 C ATOM 533 C VAL A 34 -9.362 10.614 47.653 1.00 0.00 C ATOM 534 O VAL A 34 -9.588 10.434 48.844 1.00 0.00 O ATOM 535 CB VAL A 34 -8.793 12.901 46.772 1.00 0.00 C ATOM 536 CG1 VAL A 34 -9.642 13.459 47.918 1.00 0.00 C ATOM 537 CG2 VAL A 34 -7.629 13.854 46.488 1.00 0.00 C ATOM 0 H VAL A 34 -7.600 11.425 45.156 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.505 11.689 47.953 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.413 12.802 45.881 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.036 14.436 47.637 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.469 12.779 48.122 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.026 13.560 48.812 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.020 14.833 46.210 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.011 13.950 47.381 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.026 13.458 45.671 1.00 0.00 H new ATOM 547 N GLY A 35 -10.040 10.018 46.689 1.00 0.00 N ATOM 548 CA GLY A 35 -11.114 9.085 47.007 1.00 0.00 C ATOM 549 C GLY A 35 -10.525 7.954 47.858 1.00 0.00 C ATOM 550 O GLY A 35 -11.097 7.542 48.865 1.00 0.00 O ATOM 0 H GLY A 35 -9.872 10.158 45.693 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.912 9.593 47.549 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.554 8.685 46.093 1.00 0.00 H new ATOM 554 N LEU A 36 -9.355 7.491 47.432 1.00 0.00 N ATOM 555 CA LEU A 36 -8.626 6.431 48.135 1.00 0.00 C ATOM 556 C LEU A 36 -8.074 6.950 49.474 1.00 0.00 C ATOM 557 O LEU A 36 -7.976 6.211 50.450 1.00 0.00 O ATOM 558 CB LEU A 36 -7.462 5.913 47.280 1.00 0.00 C ATOM 559 CG LEU A 36 -7.991 5.229 46.007 1.00 0.00 C ATOM 560 CD1 LEU A 36 -6.805 4.840 45.117 1.00 0.00 C ATOM 561 CD2 LEU A 36 -8.804 3.967 46.369 1.00 0.00 C ATOM 0 H LEU A 36 -8.884 7.835 46.595 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.325 5.616 48.323 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.806 6.740 47.010 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.865 5.208 47.858 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.644 5.921 45.475 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.172 4.355 44.213 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.244 5.735 44.846 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.154 4.154 45.658 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.170 3.496 45.457 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.167 3.266 46.909 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.649 4.247 46.998 1.00 0.00 H new ATOM 573 N SER A 37 -7.779 8.251 49.502 1.00 0.00 N ATOM 574 CA SER A 37 -7.303 8.900 50.732 1.00 0.00 C ATOM 575 C SER A 37 -8.388 8.719 51.800 1.00 0.00 C ATOM 576 O SER A 37 -8.118 8.434 52.961 1.00 0.00 O ATOM 577 CB SER A 37 -7.022 10.392 50.499 1.00 0.00 C ATOM 578 OG SER A 37 -6.460 10.959 51.673 1.00 0.00 O ATOM 0 H SER A 37 -7.859 8.873 48.698 1.00 0.00 H new ATOM 0 HA SER A 37 -6.366 8.445 51.054 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.338 10.517 49.659 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.945 10.910 50.238 1.00 0.00 H new ATOM 0 HG SER A 37 -7.162 11.079 52.347 1.00 0.00 H new ATOM 584 N ALA A 38 -9.623 8.838 51.385 1.00 0.00 N ATOM 585 CA ALA A 38 -10.723 8.636 52.315 1.00 0.00 C ATOM 586 C ALA A 38 -10.619 7.226 52.906 1.00 0.00 C ATOM 587 O ALA A 38 -10.883 7.022 54.091 1.00 0.00 O ATOM 588 CB ALA A 38 -12.070 8.814 51.612 1.00 0.00 C ATOM 0 H ALA A 38 -9.897 9.069 50.430 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.660 9.378 53.111 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.877 8.658 52.328 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.137 9.822 51.204 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.157 8.088 50.803 1.00 0.00 H new ATOM 594 N LEU A 39 -10.219 6.264 52.083 1.00 0.00 N ATOM 595 CA LEU A 39 -10.076 4.889 52.574 1.00 0.00 C ATOM 596 C LEU A 39 -8.774 4.690 53.385 1.00 0.00 C ATOM 597 O LEU A 39 -8.794 4.163 54.496 1.00 0.00 O ATOM 598 CB LEU A 39 -10.067 3.940 51.365 1.00 0.00 C ATOM 599 CG LEU A 39 -9.884 2.478 51.810 1.00 0.00 C ATOM 600 CD1 LEU A 39 -11.036 2.054 52.734 1.00 0.00 C ATOM 601 CD2 LEU A 39 -9.869 1.580 50.567 1.00 0.00 C ATOM 0 H LEU A 39 -9.992 6.399 51.098 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.912 4.676 53.240 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.001 4.041 50.812 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.262 4.220 50.685 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.945 2.381 52.355 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.894 1.018 53.041 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.050 2.695 53.615 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.983 2.148 52.202 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.740 0.541 50.870 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.811 1.687 50.030 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.045 1.873 49.916 1.00 0.00 H new ATOM 613 N THR A 40 -7.643 5.045 52.763 1.00 0.00 N ATOM 614 CA THR A 40 -6.305 4.836 53.357 1.00 0.00 C ATOM 615 C THR A 40 -5.610 6.121 53.833 1.00 0.00 C ATOM 616 O THR A 40 -4.644 6.079 54.593 1.00 0.00 O ATOM 617 CB THR A 40 -5.416 4.258 52.253 1.00 0.00 C ATOM 618 OG1 THR A 40 -5.361 5.170 51.166 1.00 0.00 O ATOM 619 CG2 THR A 40 -5.989 2.922 51.774 1.00 0.00 C ATOM 0 H THR A 40 -7.622 5.482 51.842 1.00 0.00 H new ATOM 0 HA THR A 40 -6.442 4.194 54.227 1.00 0.00 H new ATOM 0 HB THR A 40 -4.412 4.097 52.645 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.791 4.802 50.459 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.353 2.514 50.988 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.028 2.222 52.609 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.995 3.077 51.383 1.00 0.00 H new ATOM 627 N GLY A 41 -6.160 7.243 53.411 1.00 0.00 N ATOM 628 CA GLY A 41 -5.648 8.557 53.822 1.00 0.00 C ATOM 629 C GLY A 41 -4.143 8.698 53.635 1.00 0.00 C ATOM 630 O GLY A 41 -3.352 8.008 54.276 1.00 0.00 O ATOM 0 H GLY A 41 -6.963 7.282 52.783 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.154 9.333 53.247 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.895 8.725 54.870 1.00 0.00 H new ATOM 634 N TYR A 42 -3.761 9.585 52.721 1.00 0.00 N ATOM 635 CA TYR A 42 -2.359 9.825 52.385 1.00 0.00 C ATOM 636 C TYR A 42 -2.064 11.336 52.379 1.00 0.00 C ATOM 637 O TYR A 42 -1.133 11.785 51.714 1.00 0.00 O ATOM 638 CB TYR A 42 -2.118 9.243 50.964 1.00 0.00 C ATOM 639 CG TYR A 42 -2.419 10.291 49.896 1.00 0.00 C ATOM 640 CD1 TYR A 42 -3.589 11.056 49.978 1.00 0.00 C ATOM 641 CD2 TYR A 42 -1.503 10.524 48.862 1.00 0.00 C ATOM 642 CE1 TYR A 42 -3.844 12.052 49.028 1.00 0.00 C ATOM 643 CE2 TYR A 42 -1.757 11.519 47.912 1.00 0.00 C ATOM 644 CZ TYR A 42 -2.928 12.284 47.994 1.00 0.00 C ATOM 645 OH TYR A 42 -3.179 13.265 47.057 1.00 0.00 O ATOM 0 H TYR A 42 -4.416 10.160 52.190 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.706 9.353 53.119 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.084 8.909 50.872 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.750 8.368 50.811 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.295 10.877 50.775 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.600 9.935 48.798 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.747 12.641 49.092 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.050 11.698 47.115 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.443 13.296 46.410 1.00 0.00 H new ATOM 655 N LEU A 43 -2.879 12.110 53.088 1.00 0.00 N ATOM 656 CA LEU A 43 -2.739 13.567 53.139 1.00 0.00 C ATOM 657 C LEU A 43 -1.289 14.029 53.345 1.00 0.00 C ATOM 658 O LEU A 43 -0.740 14.775 52.535 1.00 0.00 O ATOM 659 CB LEU A 43 -3.536 14.019 54.389 1.00 0.00 C ATOM 660 CG LEU A 43 -5.011 14.260 54.030 1.00 0.00 C ATOM 661 CD1 LEU A 43 -5.604 12.991 53.414 1.00 0.00 C ATOM 662 CD2 LEU A 43 -5.791 14.624 55.297 1.00 0.00 C ATOM 0 H LEU A 43 -3.655 11.749 53.644 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.087 13.986 52.195 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.465 13.259 55.167 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.101 14.932 54.794 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.080 15.077 53.312 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.650 13.164 53.160 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.050 12.731 52.512 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.535 12.172 54.130 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.837 14.795 55.044 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.721 13.807 56.015 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.371 15.529 55.735 1.00 0.00 H new ATOM 674 N ASP A 44 -0.692 13.588 54.445 1.00 0.00 N ATOM 675 CA ASP A 44 0.686 13.971 54.758 1.00 0.00 C ATOM 676 C ASP A 44 1.649 13.393 53.717 1.00 0.00 C ATOM 677 O ASP A 44 2.619 14.045 53.332 1.00 0.00 O ATOM 678 CB ASP A 44 1.074 13.494 56.160 1.00 0.00 C ATOM 679 CG ASP A 44 0.932 11.975 56.222 1.00 0.00 C ATOM 680 OD1 ASP A 44 0.328 11.435 55.310 1.00 0.00 O ATOM 681 OD2 ASP A 44 1.469 11.372 57.136 1.00 0.00 O ATOM 0 H ASP A 44 -1.130 12.972 55.130 1.00 0.00 H new ATOM 0 HA ASP A 44 0.753 15.059 54.733 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.099 13.786 56.387 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.435 13.963 56.908 1.00 0.00 H new ATOM 686 N TYR A 45 1.395 12.165 53.290 1.00 0.00 N ATOM 687 CA TYR A 45 2.271 11.512 52.321 1.00 0.00 C ATOM 688 C TYR A 45 2.389 12.315 51.018 1.00 0.00 C ATOM 689 O TYR A 45 3.481 12.392 50.466 1.00 0.00 O ATOM 690 CB TYR A 45 1.749 10.096 52.013 1.00 0.00 C ATOM 691 CG TYR A 45 2.214 9.120 53.072 1.00 0.00 C ATOM 692 CD1 TYR A 45 3.509 8.593 53.003 1.00 0.00 C ATOM 693 CD2 TYR A 45 1.356 8.734 54.109 1.00 0.00 C ATOM 694 CE1 TYR A 45 3.946 7.679 53.970 1.00 0.00 C ATOM 695 CE2 TYR A 45 1.792 7.820 55.076 1.00 0.00 C ATOM 696 CZ TYR A 45 3.087 7.293 55.007 1.00 0.00 C ATOM 697 OH TYR A 45 3.518 6.392 55.959 1.00 0.00 O ATOM 0 H TYR A 45 0.599 11.603 53.593 1.00 0.00 H new ATOM 0 HA TYR A 45 3.265 11.453 52.765 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.660 10.104 51.970 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.104 9.776 51.033 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.171 8.891 52.204 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.357 9.142 54.163 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.945 7.272 53.916 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.129 7.522 55.875 1.00 0.00 H new ATOM 0 HH TYR A 45 2.801 6.233 56.607 1.00 0.00 H new ATOM 707 N VAL A 46 1.264 12.861 50.530 1.00 0.00 N ATOM 708 CA VAL A 46 1.210 13.616 49.253 1.00 0.00 C ATOM 709 C VAL A 46 2.584 13.949 48.658 1.00 0.00 C ATOM 710 O VAL A 46 2.807 13.727 47.467 1.00 0.00 O ATOM 711 CB VAL A 46 0.435 14.923 49.456 1.00 0.00 C ATOM 712 CG1 VAL A 46 -1.031 14.611 49.786 1.00 0.00 C ATOM 713 CG2 VAL A 46 1.067 15.729 50.600 1.00 0.00 C ATOM 0 H VAL A 46 0.363 12.796 51.004 1.00 0.00 H new ATOM 0 HA VAL A 46 0.709 12.957 48.543 1.00 0.00 H new ATOM 0 HB VAL A 46 0.477 15.511 48.539 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.578 15.543 49.929 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.478 14.051 48.964 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.080 14.017 50.699 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.513 16.657 50.741 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.034 15.144 51.519 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.104 15.959 50.354 1.00 0.00 H new ATOM 723 N LEU A 47 3.484 14.504 49.450 1.00 0.00 N ATOM 724 CA LEU A 47 4.799 14.882 48.934 1.00 0.00 C ATOM 725 C LEU A 47 5.528 13.693 48.278 1.00 0.00 C ATOM 726 O LEU A 47 6.073 13.814 47.180 1.00 0.00 O ATOM 727 CB LEU A 47 5.648 15.404 50.104 1.00 0.00 C ATOM 728 CG LEU A 47 7.055 15.803 49.625 1.00 0.00 C ATOM 729 CD1 LEU A 47 6.958 16.908 48.561 1.00 0.00 C ATOM 730 CD2 LEU A 47 7.856 16.318 50.826 1.00 0.00 C ATOM 0 H LEU A 47 3.338 14.703 50.440 1.00 0.00 H new ATOM 0 HA LEU A 47 4.659 15.647 48.171 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.157 16.264 50.560 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.725 14.636 50.874 1.00 0.00 H new ATOM 0 HG LEU A 47 7.550 14.937 49.187 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.959 17.183 48.229 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.381 16.545 47.711 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.465 17.782 48.988 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.856 16.604 50.501 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.352 17.184 51.255 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.930 15.532 51.578 1.00 0.00 H new ATOM 742 N LEU A 48 5.547 12.560 48.979 1.00 0.00 N ATOM 743 CA LEU A 48 6.235 11.358 48.476 1.00 0.00 C ATOM 744 C LEU A 48 5.666 10.877 47.113 1.00 0.00 C ATOM 745 O LEU A 48 6.420 10.817 46.141 1.00 0.00 O ATOM 746 CB LEU A 48 6.228 10.238 49.542 1.00 0.00 C ATOM 747 CG LEU A 48 7.475 10.332 50.441 1.00 0.00 C ATOM 748 CD1 LEU A 48 8.758 10.015 49.636 1.00 0.00 C ATOM 749 CD2 LEU A 48 7.564 11.743 51.050 1.00 0.00 C ATOM 0 H LEU A 48 5.100 12.443 49.889 1.00 0.00 H new ATOM 0 HA LEU A 48 7.274 11.629 48.286 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.328 10.315 50.152 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.199 9.264 49.053 1.00 0.00 H new ATOM 0 HG LEU A 48 7.388 9.597 51.241 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.626 10.088 50.291 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.693 9.005 49.230 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.860 10.729 48.818 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.446 11.810 51.686 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.636 12.480 50.251 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.672 11.939 51.645 1.00 0.00 H new ATOM 761 N PRO A 49 4.394 10.577 46.980 1.00 0.00 N ATOM 762 CA PRO A 49 3.809 10.154 45.665 1.00 0.00 C ATOM 763 C PRO A 49 4.219 11.074 44.509 1.00 0.00 C ATOM 764 O PRO A 49 4.259 10.647 43.356 1.00 0.00 O ATOM 765 CB PRO A 49 2.297 10.252 45.895 1.00 0.00 C ATOM 766 CG PRO A 49 2.115 10.034 47.357 1.00 0.00 C ATOM 767 CD PRO A 49 3.380 10.566 48.041 1.00 0.00 C ATOM 0 HA PRO A 49 4.155 9.161 45.379 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.914 11.226 45.590 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.760 9.502 45.314 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.230 10.557 47.719 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.972 8.976 47.576 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.221 11.564 48.448 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.681 9.927 48.871 1.00 0.00 H new ATOM 775 N ALA A 50 4.550 12.324 44.824 1.00 0.00 N ATOM 776 CA ALA A 50 4.990 13.282 43.814 1.00 0.00 C ATOM 777 C ALA A 50 6.328 12.862 43.223 1.00 0.00 C ATOM 778 O ALA A 50 6.599 13.115 42.049 1.00 0.00 O ATOM 779 CB ALA A 50 5.111 14.677 44.427 1.00 0.00 C ATOM 0 H ALA A 50 4.522 12.697 45.773 1.00 0.00 H new ATOM 0 HA ALA A 50 4.247 13.304 43.017 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.440 15.382 43.664 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.142 14.989 44.816 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.838 14.656 45.239 1.00 0.00 H new ATOM 785 N LEU A 51 7.155 12.197 44.018 1.00 0.00 N ATOM 786 CA LEU A 51 8.440 11.734 43.520 1.00 0.00 C ATOM 787 C LEU A 51 8.215 10.691 42.433 1.00 0.00 C ATOM 788 O LEU A 51 8.885 10.681 41.404 1.00 0.00 O ATOM 789 CB LEU A 51 9.253 11.117 44.665 1.00 0.00 C ATOM 790 CG LEU A 51 9.877 12.231 45.515 1.00 0.00 C ATOM 791 CD1 LEU A 51 8.784 13.204 45.973 1.00 0.00 C ATOM 792 CD2 LEU A 51 10.571 11.616 46.735 1.00 0.00 C ATOM 0 H LEU A 51 6.963 11.970 44.994 1.00 0.00 H new ATOM 0 HA LEU A 51 8.991 12.579 43.107 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.610 10.491 45.284 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.034 10.472 44.263 1.00 0.00 H new ATOM 0 HG LEU A 51 10.611 12.774 44.920 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.230 13.994 46.577 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.299 13.643 45.101 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.045 12.667 46.567 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.014 12.408 47.339 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.841 11.070 47.332 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.352 10.932 46.403 1.00 0.00 H new ATOM 804 N ALA A 52 7.226 9.836 42.675 1.00 0.00 N ATOM 805 CA ALA A 52 6.873 8.804 41.711 1.00 0.00 C ATOM 806 C ALA A 52 6.443 9.459 40.405 1.00 0.00 C ATOM 807 O ALA A 52 6.864 9.041 39.326 1.00 0.00 O ATOM 808 CB ALA A 52 5.744 7.926 42.255 1.00 0.00 C ATOM 0 H ALA A 52 6.660 9.838 43.524 1.00 0.00 H new ATOM 0 HA ALA A 52 7.743 8.172 41.532 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.493 7.160 41.521 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.067 7.450 43.181 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.866 8.542 42.451 1.00 0.00 H new ATOM 814 N ILE A 53 5.627 10.504 40.504 1.00 0.00 N ATOM 815 CA ILE A 53 5.183 11.217 39.313 1.00 0.00 C ATOM 816 C ILE A 53 6.381 11.837 38.600 1.00 0.00 C ATOM 817 O ILE A 53 6.538 11.646 37.397 1.00 0.00 O ATOM 818 CB ILE A 53 4.176 12.313 39.700 1.00 0.00 C ATOM 819 CG1 ILE A 53 2.865 11.681 40.218 1.00 0.00 C ATOM 820 CG2 ILE A 53 3.880 13.201 38.484 1.00 0.00 C ATOM 821 CD1 ILE A 53 1.963 11.207 39.061 1.00 0.00 C ATOM 0 H ILE A 53 5.264 10.871 41.384 1.00 0.00 H new ATOM 0 HA ILE A 53 4.696 10.512 38.639 1.00 0.00 H new ATOM 0 HB ILE A 53 4.609 12.921 40.494 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.100 10.836 40.866 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.326 12.408 40.825 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.166 13.976 38.764 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.804 13.666 38.140 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.460 12.593 37.683 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.051 10.769 39.467 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.707 12.057 38.428 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.493 10.460 38.469 1.00 0.00 H new ATOM 833 N PHE A 54 7.229 12.575 39.310 1.00 0.00 N ATOM 834 CA PHE A 54 8.389 13.185 38.672 1.00 0.00 C ATOM 835 C PHE A 54 9.290 12.112 38.067 1.00 0.00 C ATOM 836 O PHE A 54 9.814 12.280 36.966 1.00 0.00 O ATOM 837 CB PHE A 54 9.176 14.006 39.694 1.00 0.00 C ATOM 838 CG PHE A 54 10.318 14.717 39.008 1.00 0.00 C ATOM 839 CD1 PHE A 54 10.075 15.893 38.289 1.00 0.00 C ATOM 840 CD2 PHE A 54 11.619 14.206 39.095 1.00 0.00 C ATOM 841 CE1 PHE A 54 11.131 16.558 37.656 1.00 0.00 C ATOM 842 CE2 PHE A 54 12.676 14.872 38.462 1.00 0.00 C ATOM 843 CZ PHE A 54 12.432 16.047 37.743 1.00 0.00 C ATOM 0 H PHE A 54 7.138 12.762 40.308 1.00 0.00 H new ATOM 0 HA PHE A 54 8.041 13.842 37.875 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.520 14.732 40.174 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.560 13.355 40.479 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.072 16.287 38.223 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.807 13.299 39.650 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.943 17.465 37.101 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.680 14.478 38.529 1.00 0.00 H new ATOM 0 HZ PHE A 54 13.247 16.560 37.255 1.00 0.00 H new ATOM 853 N ILE A 55 9.461 11.005 38.784 1.00 0.00 N ATOM 854 CA ILE A 55 10.293 9.913 38.292 1.00 0.00 C ATOM 855 C ILE A 55 9.613 9.278 37.074 1.00 0.00 C ATOM 856 O ILE A 55 10.248 8.977 36.066 1.00 0.00 O ATOM 857 CB ILE A 55 10.485 8.857 39.426 1.00 0.00 C ATOM 858 CG1 ILE A 55 11.765 9.151 40.243 1.00 0.00 C ATOM 859 CG2 ILE A 55 10.604 7.436 38.847 1.00 0.00 C ATOM 860 CD1 ILE A 55 11.589 10.409 41.101 1.00 0.00 C ATOM 0 H ILE A 55 9.039 10.842 39.698 1.00 0.00 H new ATOM 0 HA ILE A 55 11.273 10.289 37.996 1.00 0.00 H new ATOM 0 HB ILE A 55 9.608 8.921 40.070 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.997 8.299 40.882 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.610 9.282 39.568 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.737 6.722 39.660 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.697 7.191 38.294 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.462 7.387 38.177 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.502 10.595 41.666 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.381 11.263 40.456 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.758 10.265 41.792 1.00 0.00 H new ATOM 872 N GLY A 56 8.300 9.105 37.203 1.00 0.00 N ATOM 873 CA GLY A 56 7.490 8.526 36.134 1.00 0.00 C ATOM 874 C GLY A 56 7.484 9.431 34.906 1.00 0.00 C ATOM 875 O GLY A 56 7.593 8.963 33.773 1.00 0.00 O ATOM 0 H GLY A 56 7.773 9.358 38.039 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.882 7.545 35.866 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.469 8.376 36.486 1.00 0.00 H new ATOM 879 N LEU A 57 7.354 10.732 35.147 1.00 0.00 N ATOM 880 CA LEU A 57 7.333 11.698 34.056 1.00 0.00 C ATOM 881 C LEU A 57 8.687 11.685 33.354 1.00 0.00 C ATOM 882 O LEU A 57 8.763 11.577 32.129 1.00 0.00 O ATOM 883 CB LEU A 57 7.020 13.102 34.610 1.00 0.00 C ATOM 884 CG LEU A 57 6.340 13.983 33.541 1.00 0.00 C ATOM 885 CD1 LEU A 57 7.205 14.028 32.275 1.00 0.00 C ATOM 886 CD2 LEU A 57 4.935 13.435 33.197 1.00 0.00 C ATOM 0 H LEU A 57 7.263 11.138 36.078 1.00 0.00 H new ATOM 0 HA LEU A 57 6.558 11.432 33.338 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.371 13.016 35.481 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.942 13.578 34.945 1.00 0.00 H new ATOM 0 HG LEU A 57 6.232 14.991 33.941 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.719 14.652 31.524 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.182 14.446 32.517 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.329 13.019 31.883 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.472 14.070 32.442 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.025 12.419 32.812 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.317 13.429 34.095 1.00 0.00 H new ATOM 898 N THR A 58 9.754 11.815 34.133 1.00 0.00 N ATOM 899 CA THR A 58 11.095 11.843 33.572 1.00 0.00 C ATOM 900 C THR A 58 11.312 10.646 32.657 1.00 0.00 C ATOM 901 O THR A 58 11.861 10.776 31.564 1.00 0.00 O ATOM 902 CB THR A 58 12.119 11.794 34.708 1.00 0.00 C ATOM 903 OG1 THR A 58 11.929 12.917 35.559 1.00 0.00 O ATOM 904 CG2 THR A 58 13.534 11.829 34.127 1.00 0.00 C ATOM 0 H THR A 58 9.716 11.902 35.149 1.00 0.00 H new ATOM 0 HA THR A 58 11.216 12.760 32.995 1.00 0.00 H new ATOM 0 HB THR A 58 11.986 10.874 35.278 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.389 12.653 36.333 1.00 0.00 H new ATOM 0 HG21 THR A 58 14.261 11.794 34.938 1.00 0.00 H new ATOM 0 HG22 THR A 58 13.680 10.970 33.472 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.671 12.748 33.557 1.00 0.00 H new ATOM 912 N ILE A 59 10.834 9.487 33.100 1.00 0.00 N ATOM 913 CA ILE A 59 10.938 8.279 32.295 1.00 0.00 C ATOM 914 C ILE A 59 10.097 8.439 31.032 1.00 0.00 C ATOM 915 O ILE A 59 10.534 8.073 29.940 1.00 0.00 O ATOM 916 CB ILE A 59 10.487 7.052 33.093 1.00 0.00 C ATOM 917 CG1 ILE A 59 11.496 6.781 34.212 1.00 0.00 C ATOM 918 CG2 ILE A 59 10.416 5.832 32.169 1.00 0.00 C ATOM 919 CD1 ILE A 59 10.922 5.745 35.181 1.00 0.00 C ATOM 0 H ILE A 59 10.376 9.361 34.003 1.00 0.00 H new ATOM 0 HA ILE A 59 11.980 8.127 32.015 1.00 0.00 H new ATOM 0 HB ILE A 59 9.502 7.239 33.520 1.00 0.00 H new ATOM 0 HG12 ILE A 59 12.434 6.419 33.790 1.00 0.00 H new ATOM 0 HG13 ILE A 59 11.722 7.705 34.744 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.095 4.961 32.740 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.702 6.024 31.368 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.400 5.642 31.741 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.642 5.553 35.977 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.996 6.125 35.613 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.719 4.818 34.644 1.00 0.00 H new ATOM 931 N TYR A 60 8.881 8.963 31.182 1.00 0.00 N ATOM 932 CA TYR A 60 7.981 9.136 30.048 1.00 0.00 C ATOM 933 C TYR A 60 8.624 9.961 28.933 1.00 0.00 C ATOM 934 O TYR A 60 8.392 9.701 27.754 1.00 0.00 O ATOM 935 CB TYR A 60 6.688 9.807 30.507 1.00 0.00 C ATOM 936 CG TYR A 60 5.720 9.830 29.355 1.00 0.00 C ATOM 937 CD1 TYR A 60 4.931 8.707 29.078 1.00 0.00 C ATOM 938 CD2 TYR A 60 5.617 10.973 28.553 1.00 0.00 C ATOM 939 CE1 TYR A 60 4.039 8.727 28.000 1.00 0.00 C ATOM 940 CE2 TYR A 60 4.725 10.993 27.474 1.00 0.00 C ATOM 941 CZ TYR A 60 3.936 9.870 27.197 1.00 0.00 C ATOM 942 OH TYR A 60 3.057 9.882 26.135 1.00 0.00 O ATOM 0 H TYR A 60 8.500 9.273 32.076 1.00 0.00 H new ATOM 0 HA TYR A 60 7.761 8.147 29.647 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.259 9.264 31.350 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.890 10.821 30.851 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.011 7.825 29.696 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.226 11.839 28.767 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.430 7.861 27.787 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.646 11.875 26.855 1.00 0.00 H new ATOM 0 HH TYR A 60 2.443 10.640 26.227 1.00 0.00 H new ATOM 952 N ALA A 61 9.439 10.944 29.284 1.00 0.00 N ATOM 953 CA ALA A 61 10.124 11.767 28.295 1.00 0.00 C ATOM 954 C ALA A 61 11.228 10.983 27.573 1.00 0.00 C ATOM 955 O ALA A 61 11.553 11.296 26.431 1.00 0.00 O ATOM 956 CB ALA A 61 10.729 12.999 28.972 1.00 0.00 C ATOM 0 H ALA A 61 9.644 11.193 30.252 1.00 0.00 H new ATOM 0 HA ALA A 61 9.388 12.076 27.553 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.239 13.610 28.227 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.936 13.584 29.439 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.443 12.683 29.733 1.00 0.00 H new ATOM 962 N ILE A 62 11.791 9.967 28.211 1.00 0.00 N ATOM 963 CA ILE A 62 12.843 9.165 27.573 1.00 0.00 C ATOM 964 C ILE A 62 12.303 8.238 26.468 1.00 0.00 C ATOM 965 O ILE A 62 12.915 8.088 25.410 1.00 0.00 O ATOM 966 CB ILE A 62 13.565 8.327 28.635 1.00 0.00 C ATOM 967 CG1 ILE A 62 14.296 9.266 29.604 1.00 0.00 C ATOM 968 CG2 ILE A 62 14.584 7.401 27.962 1.00 0.00 C ATOM 969 CD1 ILE A 62 14.833 8.475 30.803 1.00 0.00 C ATOM 0 H ILE A 62 11.546 9.675 29.157 1.00 0.00 H new ATOM 0 HA ILE A 62 13.533 9.863 27.099 1.00 0.00 H new ATOM 0 HB ILE A 62 12.837 7.725 29.178 1.00 0.00 H new ATOM 0 HG12 ILE A 62 15.118 9.763 29.089 1.00 0.00 H new ATOM 0 HG13 ILE A 62 13.617 10.046 29.948 1.00 0.00 H new ATOM 0 HG21 ILE A 62 15.094 6.808 28.721 1.00 0.00 H new ATOM 0 HG22 ILE A 62 14.069 6.737 27.268 1.00 0.00 H new ATOM 0 HG23 ILE A 62 15.315 7.999 27.417 1.00 0.00 H new ATOM 0 HD11 ILE A 62 15.350 9.152 31.483 1.00 0.00 H new ATOM 0 HD12 ILE A 62 14.004 7.998 31.325 1.00 0.00 H new ATOM 0 HD13 ILE A 62 15.528 7.712 30.453 1.00 0.00 H new ATOM 981 N GLN A 63 11.159 7.621 26.740 1.00 0.00 N ATOM 982 CA GLN A 63 10.533 6.699 25.780 1.00 0.00 C ATOM 983 C GLN A 63 9.987 7.422 24.539 1.00 0.00 C ATOM 984 O GLN A 63 10.083 6.906 23.426 1.00 0.00 O ATOM 985 CB GLN A 63 9.391 5.923 26.452 1.00 0.00 C ATOM 986 CG GLN A 63 8.408 6.915 27.073 1.00 0.00 C ATOM 987 CD GLN A 63 7.273 6.185 27.785 1.00 0.00 C ATOM 988 OE1 GLN A 63 6.220 5.948 27.195 1.00 0.00 O ATOM 989 NE2 GLN A 63 7.407 5.860 29.042 1.00 0.00 N ATOM 0 H GLN A 63 10.642 7.737 27.612 1.00 0.00 H new ATOM 0 HA GLN A 63 11.314 6.013 25.452 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.881 5.297 25.720 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.789 5.258 27.219 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.932 7.558 27.780 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.999 7.562 26.297 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.281 6.057 29.529 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.638 5.409 29.537 1.00 0.00 H new ATOM 998 N ARG A 64 9.431 8.610 24.731 1.00 0.00 N ATOM 999 CA ARG A 64 8.880 9.423 23.641 1.00 0.00 C ATOM 1000 C ARG A 64 9.972 10.160 22.856 1.00 0.00 C ATOM 1001 O ARG A 64 9.749 10.621 21.738 1.00 0.00 O ATOM 1002 CB ARG A 64 7.872 10.437 24.200 1.00 0.00 C ATOM 1003 CG ARG A 64 8.612 11.601 24.855 1.00 0.00 C ATOM 1004 CD ARG A 64 7.633 12.435 25.684 1.00 0.00 C ATOM 1005 NE ARG A 64 8.276 13.666 26.131 1.00 0.00 N ATOM 1006 CZ ARG A 64 7.623 14.558 26.868 1.00 0.00 C ATOM 1007 NH1 ARG A 64 6.391 14.326 27.233 1.00 0.00 N ATOM 1008 NH2 ARG A 64 8.213 15.665 27.228 1.00 0.00 N ATOM 0 H ARG A 64 9.346 9.045 25.650 1.00 0.00 H new ATOM 0 HA ARG A 64 8.380 8.743 22.951 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.233 10.807 23.398 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.222 9.952 24.928 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.412 11.223 25.491 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.079 12.223 24.091 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.751 12.672 25.089 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.292 11.860 26.545 1.00 0.00 H new ATOM 0 HE ARG A 64 9.246 13.845 25.873 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.930 13.460 26.952 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.889 15.010 27.799 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.176 15.846 26.944 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.711 16.350 27.794 1.00 0.00 H new ATOM 1022 N LYS A 65 11.137 10.298 23.485 1.00 0.00 N ATOM 1023 CA LYS A 65 12.267 11.017 22.891 1.00 0.00 C ATOM 1024 C LYS A 65 12.916 10.234 21.744 1.00 0.00 C ATOM 1025 O LYS A 65 13.393 10.804 20.763 1.00 0.00 O ATOM 1026 CB LYS A 65 13.338 11.265 23.994 1.00 0.00 C ATOM 1027 CG LYS A 65 13.184 12.684 24.581 1.00 0.00 C ATOM 1028 CD LYS A 65 14.024 12.844 25.859 1.00 0.00 C ATOM 1029 CE LYS A 65 15.518 12.722 25.538 1.00 0.00 C ATOM 1030 NZ LYS A 65 16.312 13.102 26.741 1.00 0.00 N ATOM 0 H LYS A 65 11.326 9.919 24.413 1.00 0.00 H new ATOM 0 HA LYS A 65 11.889 11.955 22.484 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.233 10.523 24.786 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.337 11.144 23.574 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.494 13.423 23.842 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.135 12.878 24.804 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.822 13.813 26.315 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.739 12.084 26.586 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.755 11.701 25.239 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.776 13.368 24.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.327 13.021 26.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.092 14.083 27.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.072 12.468 27.530 1.00 0.00 H new ATOM 1044 N ARG A 66 12.795 8.913 21.845 1.00 0.00 N ATOM 1045 CA ARG A 66 13.250 8.085 20.731 1.00 0.00 C ATOM 1046 C ARG A 66 12.162 8.181 19.665 1.00 0.00 C ATOM 1047 O ARG A 66 12.405 8.619 18.540 1.00 0.00 O ATOM 1048 CB ARG A 66 13.448 6.634 21.179 1.00 0.00 C ATOM 1049 CG ARG A 66 14.484 6.597 22.304 1.00 0.00 C ATOM 1050 CD ARG A 66 14.669 5.161 22.796 1.00 0.00 C ATOM 1051 NE ARG A 66 15.362 4.362 21.791 1.00 0.00 N ATOM 1052 CZ ARG A 66 15.658 3.086 22.017 1.00 0.00 C ATOM 1053 NH1 ARG A 66 15.296 2.522 23.137 1.00 0.00 N ATOM 1054 NH2 ARG A 66 16.309 2.398 21.120 1.00 0.00 N ATOM 0 H ARG A 66 12.406 8.412 22.644 1.00 0.00 H new ATOM 0 HA ARG A 66 14.212 8.426 20.348 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.503 6.214 21.524 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.781 6.023 20.340 1.00 0.00 H new ATOM 0 HG2 ARG A 66 15.435 6.994 21.948 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.162 7.234 23.128 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.238 5.159 23.726 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.698 4.717 23.015 1.00 0.00 H new ATOM 0 HE ARG A 66 15.623 4.789 20.902 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.786 3.060 23.838 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.523 1.543 23.312 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.591 2.839 20.245 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.536 1.419 21.294 1.00 0.00 H new ATOM 1068 N GLN A 67 10.964 7.751 20.043 1.00 0.00 N ATOM 1069 CA GLN A 67 9.801 7.750 19.160 1.00 0.00 C ATOM 1070 C GLN A 67 9.438 9.161 18.705 1.00 0.00 C ATOM 1071 O GLN A 67 8.621 9.347 17.807 1.00 0.00 O ATOM 1072 CB GLN A 67 8.610 7.139 19.906 1.00 0.00 C ATOM 1073 CG GLN A 67 8.892 5.656 20.156 1.00 0.00 C ATOM 1074 CD GLN A 67 7.719 4.996 20.875 1.00 0.00 C ATOM 1075 OE1 GLN A 67 6.742 5.656 21.230 1.00 0.00 O ATOM 1076 NE2 GLN A 67 7.760 3.711 21.102 1.00 0.00 N ATOM 0 H GLN A 67 10.770 7.390 20.977 1.00 0.00 H new ATOM 0 HA GLN A 67 10.045 7.163 18.275 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.451 7.657 20.852 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.698 7.256 19.321 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.074 5.151 19.208 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.798 5.549 20.753 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.570 3.167 20.807 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.982 3.251 21.574 1.00 0.00 H new ATOM 1085 N ALA A 68 10.009 10.144 19.394 1.00 0.00 N ATOM 1086 CA ALA A 68 9.687 11.547 19.114 1.00 0.00 C ATOM 1087 C ALA A 68 9.654 11.752 17.593 1.00 0.00 C ATOM 1088 O ALA A 68 8.765 12.418 17.061 1.00 0.00 O ATOM 1089 CB ALA A 68 10.772 12.451 19.714 1.00 0.00 C ATOM 0 H ALA A 68 10.689 10.003 20.141 1.00 0.00 H new ATOM 0 HA ALA A 68 8.720 11.797 19.551 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.533 13.494 19.506 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.818 12.297 20.792 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.737 12.205 19.271 1.00 0.00 H new ATOM 1095 N ASP A 69 10.587 11.098 16.902 1.00 0.00 N ATOM 1096 CA ASP A 69 10.605 11.139 15.440 1.00 0.00 C ATOM 1097 C ASP A 69 9.248 10.671 14.917 1.00 0.00 C ATOM 1098 O ASP A 69 8.574 11.400 14.190 1.00 0.00 O ATOM 1099 CB ASP A 69 11.692 10.177 14.930 1.00 0.00 C ATOM 1100 CG ASP A 69 11.551 8.811 15.597 1.00 0.00 C ATOM 1101 OD1 ASP A 69 10.840 8.735 16.585 1.00 0.00 O ATOM 1102 OD2 ASP A 69 12.158 7.867 15.120 1.00 0.00 O ATOM 0 H ASP A 69 11.330 10.541 17.323 1.00 0.00 H new ATOM 0 HA ASP A 69 10.810 12.153 15.096 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.613 10.070 13.848 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.679 10.590 15.138 1.00 0.00 H new ATOM 1107 N ALA A 70 8.848 9.458 15.283 1.00 0.00 N ATOM 1108 CA ALA A 70 7.567 8.918 14.837 1.00 0.00 C ATOM 1109 C ALA A 70 6.410 9.780 15.335 1.00 0.00 C ATOM 1110 O ALA A 70 5.438 10.006 14.616 1.00 0.00 O ATOM 1111 CB ALA A 70 7.397 7.487 15.351 1.00 0.00 C ATOM 0 H ALA A 70 9.387 8.833 15.883 1.00 0.00 H new ATOM 0 HA ALA A 70 7.558 8.919 13.747 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.439 7.091 15.014 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.203 6.864 14.965 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.427 7.486 16.441 1.00 0.00 H new ATOM 1117 N SER A 71 6.520 10.252 16.573 1.00 0.00 N ATOM 1118 CA SER A 71 5.478 11.081 17.166 1.00 0.00 C ATOM 1119 C SER A 71 4.189 10.282 17.329 1.00 0.00 C ATOM 1120 O SER A 71 3.109 10.744 16.961 1.00 0.00 O ATOM 1121 CB SER A 71 5.220 12.309 16.288 1.00 0.00 C ATOM 1122 OG SER A 71 4.583 13.315 17.065 1.00 0.00 O ATOM 0 H SER A 71 7.318 10.075 17.183 1.00 0.00 H new ATOM 0 HA SER A 71 5.814 11.408 18.150 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.160 12.686 15.884 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.593 12.038 15.438 1.00 0.00 H new ATOM 0 HG SER A 71 3.738 12.968 17.421 1.00 0.00 H new ATOM 1128 N SER A 72 4.313 9.079 17.884 1.00 0.00 N ATOM 1129 CA SER A 72 3.155 8.216 18.093 1.00 0.00 C ATOM 1130 C SER A 72 2.476 7.901 16.764 1.00 0.00 C ATOM 1131 O SER A 72 2.320 8.776 15.913 1.00 0.00 O ATOM 1132 CB SER A 72 2.159 8.895 19.033 1.00 0.00 C ATOM 1133 OG SER A 72 2.851 9.380 20.176 1.00 0.00 O ATOM 0 H SER A 72 5.199 8.682 18.196 1.00 0.00 H new ATOM 0 HA SER A 72 3.496 7.283 18.542 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.659 9.717 18.520 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.385 8.189 19.334 1.00 0.00 H new ATOM 0 HG SER A 72 2.217 9.818 20.781 1.00 0.00 H new ATOM 1139 N THR A 73 2.071 6.644 16.592 1.00 0.00 N ATOM 1140 CA THR A 73 1.408 6.224 15.359 1.00 0.00 C ATOM 1141 C THR A 73 0.472 5.034 15.625 1.00 0.00 C ATOM 1142 O THR A 73 -0.742 5.156 15.459 1.00 0.00 O ATOM 1143 CB THR A 73 2.468 5.873 14.286 1.00 0.00 C ATOM 1144 OG1 THR A 73 3.712 5.620 14.924 1.00 0.00 O ATOM 1145 CG2 THR A 73 2.649 7.040 13.304 1.00 0.00 C ATOM 0 H THR A 73 2.189 5.904 17.284 1.00 0.00 H new ATOM 0 HA THR A 73 0.798 7.047 14.986 1.00 0.00 H new ATOM 0 HB THR A 73 2.132 4.993 13.739 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.386 5.396 14.249 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.398 6.775 12.558 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.701 7.249 12.809 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.977 7.926 13.848 1.00 0.00 H new ATOM 1153 N PRO A 74 0.991 3.901 16.036 1.00 0.00 N ATOM 1154 CA PRO A 74 0.146 2.701 16.322 1.00 0.00 C ATOM 1155 C PRO A 74 -0.756 2.916 17.538 1.00 0.00 C ATOM 1156 O PRO A 74 -0.391 3.620 18.480 1.00 0.00 O ATOM 1157 CB PRO A 74 1.177 1.588 16.581 1.00 0.00 C ATOM 1158 CG PRO A 74 2.395 2.312 17.052 1.00 0.00 C ATOM 1159 CD PRO A 74 2.421 3.622 16.269 1.00 0.00 C ATOM 0 HA PRO A 74 -0.537 2.468 15.505 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.820 0.882 17.331 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.380 1.016 15.676 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.351 2.497 18.125 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.295 1.726 16.867 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.900 4.421 16.835 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.970 3.521 15.333 1.00 0.00 H new ATOM 1167 N LYS A 75 -1.937 2.308 17.504 1.00 0.00 N ATOM 1168 CA LYS A 75 -2.890 2.439 18.601 1.00 0.00 C ATOM 1169 C LYS A 75 -2.296 1.891 19.896 1.00 0.00 C ATOM 1170 O LYS A 75 -2.416 2.508 20.954 1.00 0.00 O ATOM 1171 CB LYS A 75 -4.179 1.684 18.258 1.00 0.00 C ATOM 1172 CG LYS A 75 -5.201 1.846 19.388 1.00 0.00 C ATOM 1173 CD LYS A 75 -6.493 1.118 19.013 1.00 0.00 C ATOM 1174 CE LYS A 75 -7.515 1.272 20.141 1.00 0.00 C ATOM 1175 NZ LYS A 75 -8.775 0.572 19.768 1.00 0.00 N ATOM 0 H LYS A 75 -2.257 1.722 16.733 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.116 3.496 18.744 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.594 2.063 17.324 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.961 0.627 18.104 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.799 1.442 20.317 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.403 2.903 19.561 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.896 1.525 18.086 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.289 0.062 18.835 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.116 0.857 21.067 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.714 2.328 20.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.470 0.676 20.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.158 0.988 18.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.579 -0.438 19.614 1.00 0.00 H new ATOM 1189 N PHE A 76 -1.663 0.724 19.806 1.00 0.00 N ATOM 1190 CA PHE A 76 -1.061 0.100 20.980 1.00 0.00 C ATOM 1191 C PHE A 76 0.045 -0.867 20.567 1.00 0.00 C ATOM 1192 O PHE A 76 0.852 -1.292 21.393 1.00 0.00 O ATOM 1193 CB PHE A 76 -2.133 -0.653 21.771 1.00 0.00 C ATOM 1194 CG PHE A 76 -1.569 -1.097 23.100 1.00 0.00 C ATOM 1195 CD1 PHE A 76 -1.448 -0.177 24.149 1.00 0.00 C ATOM 1196 CD2 PHE A 76 -1.174 -2.427 23.287 1.00 0.00 C ATOM 1197 CE1 PHE A 76 -0.931 -0.587 25.384 1.00 0.00 C ATOM 1198 CE2 PHE A 76 -0.659 -2.837 24.522 1.00 0.00 C ATOM 1199 CZ PHE A 76 -0.536 -1.917 25.571 1.00 0.00 C ATOM 0 H PHE A 76 -1.554 0.196 18.940 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.627 0.881 21.604 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.000 -0.011 21.929 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.476 -1.518 21.204 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.754 0.849 24.005 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.267 -3.137 22.478 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.837 0.123 26.192 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.356 -3.864 24.666 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.137 -2.233 26.523 1.00 0.00 H new ATOM 1209 N ASN A 77 0.072 -1.212 19.283 1.00 0.00 N ATOM 1210 CA ASN A 77 1.080 -2.132 18.771 1.00 0.00 C ATOM 1211 C ASN A 77 1.066 -3.439 19.557 1.00 0.00 C ATOM 1212 O ASN A 77 2.117 -3.979 19.902 1.00 0.00 O ATOM 1213 CB ASN A 77 2.469 -1.494 18.865 1.00 0.00 C ATOM 1214 CG ASN A 77 3.455 -2.261 17.990 1.00 0.00 C ATOM 1215 OD1 ASN A 77 3.094 -2.734 16.913 1.00 0.00 O ATOM 1216 ND2 ASN A 77 4.683 -2.426 18.399 1.00 0.00 N ATOM 0 H ASN A 77 -0.587 -0.871 18.583 1.00 0.00 H new ATOM 0 HA ASN A 77 0.848 -2.347 17.728 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.422 -0.452 18.547 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.810 -1.497 19.900 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.346 -2.948 17.826 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.980 -2.033 19.292 1.00 0.00 H new ATOM 1223 N GLY A 78 -0.133 -3.948 19.835 1.00 0.00 N ATOM 1224 CA GLY A 78 -0.279 -5.198 20.580 1.00 0.00 C ATOM 1225 C GLY A 78 -0.394 -6.383 19.627 1.00 0.00 C ATOM 1226 O GLY A 78 -1.104 -6.317 18.623 1.00 0.00 O ATOM 0 H GLY A 78 -1.014 -3.516 19.557 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.578 -5.337 21.239 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.164 -5.148 21.214 1.00 0.00 H new ATOM 1230 N VAL A 79 0.308 -7.465 19.947 1.00 0.00 N ATOM 1231 CA VAL A 79 0.275 -8.659 19.109 1.00 0.00 C ATOM 1232 C VAL A 79 -1.143 -9.225 19.048 1.00 0.00 C ATOM 1233 O VAL A 79 -1.636 -9.574 17.975 1.00 0.00 O ATOM 1234 CB VAL A 79 1.236 -9.713 19.670 1.00 0.00 C ATOM 1235 CG1 VAL A 79 1.050 -11.039 18.923 1.00 0.00 C ATOM 1236 CG2 VAL A 79 2.676 -9.230 19.494 1.00 0.00 C ATOM 0 H VAL A 79 0.902 -7.540 20.773 1.00 0.00 H new ATOM 0 HA VAL A 79 0.587 -8.390 18.100 1.00 0.00 H new ATOM 0 HB VAL A 79 1.025 -9.865 20.728 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.736 -11.783 19.327 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.024 -11.386 19.047 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.257 -10.892 17.863 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.362 -9.978 19.892 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.881 -9.077 18.435 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.813 -8.291 20.030 1.00 0.00 H new ATOM 1246 N LYS A 80 -1.792 -9.309 20.206 1.00 0.00 N ATOM 1247 CA LYS A 80 -3.154 -9.833 20.277 1.00 0.00 C ATOM 1248 C LYS A 80 -4.162 -8.717 20.024 1.00 0.00 C ATOM 1249 O LYS A 80 -3.922 -7.560 20.367 1.00 0.00 O ATOM 1250 CB LYS A 80 -3.409 -10.440 21.663 1.00 0.00 C ATOM 1251 CG LYS A 80 -2.358 -11.513 21.987 1.00 0.00 C ATOM 1252 CD LYS A 80 -2.555 -12.750 21.102 1.00 0.00 C ATOM 1253 CE LYS A 80 -1.687 -13.893 21.632 1.00 0.00 C ATOM 1254 NZ LYS A 80 -2.134 -14.262 23.005 1.00 0.00 N ATOM 0 H LYS A 80 -1.400 -9.023 21.103 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.270 -10.603 19.514 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.381 -9.656 22.420 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.406 -10.879 21.696 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.358 -11.107 21.835 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.431 -11.796 23.037 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.604 -13.046 21.099 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.285 -12.521 20.071 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.760 -14.756 20.970 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.640 -13.591 21.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.223 -15.296 23.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.436 -13.927 23.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.056 -13.821 23.200 1.00 0.00 H new ATOM 1268 N LYS A 81 -5.293 -9.074 19.423 1.00 0.00 N ATOM 1269 CA LYS A 81 -6.333 -8.094 19.130 1.00 0.00 C ATOM 1270 C LYS A 81 -5.742 -6.884 18.411 1.00 0.00 C ATOM 1271 O LYS A 81 -5.003 -7.086 17.462 1.00 0.00 O ATOM 1272 CB LYS A 81 -7.003 -7.642 20.427 1.00 0.00 C ATOM 1273 CG LYS A 81 -7.759 -8.818 21.049 1.00 0.00 C ATOM 1274 CD LYS A 81 -8.430 -8.367 22.348 1.00 0.00 C ATOM 1275 CE LYS A 81 -9.157 -9.552 22.985 1.00 0.00 C ATOM 1276 NZ LYS A 81 -10.237 -10.023 22.074 1.00 0.00 N ATOM 1277 OXT LYS A 81 -6.038 -5.774 18.822 1.00 0.00 O ATOM 0 H LYS A 81 -5.512 -10.027 19.131 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.074 -8.561 18.482 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.254 -7.268 21.125 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.690 -6.820 20.226 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.509 -9.192 20.351 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.072 -9.640 21.249 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.684 -7.972 23.037 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.135 -7.561 22.145 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.453 -10.361 23.180 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.580 -9.259 23.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.932 -10.576 22.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.708 -9.203 21.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.826 -10.620 21.328 1.00 0.00 H new TER 1291 LYS A 81