USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 538 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 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 98 THR OG1 : rot -160:sc=-0.00331 USER MOD Set 2.1: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 79 TYR OH : rot 2:sc= 1.64 USER MOD Set 3.1: A 24 HIS : no HE2:sc= -0.963! C(o=-1.8!,f=-6.6!) USER MOD Set 3.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 65 THR OG1 : rot -62:sc= -0.843! USER MOD Single : A 6 SER OG : rot 180:sc= -0.635 USER MOD Single : A 7 SER OG : rot 180:sc= -1.86! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -139:sc= -0.816 (180deg=-1.96) USER MOD Single : A 41 THR OG1 : rot -59:sc= 1.04 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= -0.973 (180deg=-2.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -156:sc= -0.087 (180deg=-0.575) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -1.16 USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N LEU A 4 10.155 1.896 -5.408 1.00 1.69 N ATOM 57 CA LEU A 4 9.077 1.219 -6.110 1.00 1.07 C ATOM 58 C LEU A 4 9.038 1.701 -7.562 1.00 0.85 C ATOM 59 O LEU A 4 8.683 2.848 -7.829 1.00 0.87 O ATOM 60 CB LEU A 4 7.754 1.404 -5.365 1.00 0.97 C ATOM 61 CG LEU A 4 6.491 1.003 -6.132 1.00 0.71 C ATOM 62 CD1 LEU A 4 5.806 2.230 -6.739 1.00 1.10 C ATOM 63 CD2 LEU A 4 6.803 -0.059 -7.187 1.00 0.72 C ATOM 0 HA LEU A 4 9.255 0.144 -6.135 1.00 1.07 H new ATOM 0 HB2 LEU A 4 7.795 0.824 -4.443 1.00 0.97 H new ATOM 0 HB3 LEU A 4 7.664 2.452 -5.079 1.00 0.97 H new ATOM 0 HG LEU A 4 5.790 0.558 -5.426 1.00 0.71 H new ATOM 0 HD11 LEU A 4 4.912 1.918 -7.278 1.00 1.10 H new ATOM 0 HD12 LEU A 4 5.527 2.922 -5.944 1.00 1.10 H new ATOM 0 HD13 LEU A 4 6.491 2.725 -7.428 1.00 1.10 H new ATOM 0 HD21 LEU A 4 5.888 -0.325 -7.717 1.00 0.72 H new ATOM 0 HD22 LEU A 4 7.531 0.335 -7.896 1.00 0.72 H new ATOM 0 HD23 LEU A 4 7.212 -0.945 -6.701 1.00 0.72 H new ATOM 75 N VAL A 5 9.409 0.801 -8.461 1.00 0.72 N ATOM 76 CA VAL A 5 9.421 1.120 -9.878 1.00 0.57 C ATOM 77 C VAL A 5 8.026 1.582 -10.305 1.00 0.53 C ATOM 78 O VAL A 5 7.809 2.768 -10.550 1.00 0.57 O ATOM 79 CB VAL A 5 9.924 -0.082 -10.682 1.00 0.58 C ATOM 80 CG1 VAL A 5 9.844 0.191 -12.184 1.00 0.64 C ATOM 81 CG2 VAL A 5 11.347 -0.460 -10.267 1.00 0.66 C ATOM 0 H VAL A 5 9.704 -0.149 -8.235 1.00 0.72 H new ATOM 0 HA VAL A 5 10.111 1.940 -10.078 1.00 0.57 H new ATOM 0 HB VAL A 5 9.274 -0.929 -10.462 1.00 0.58 H new ATOM 0 HG11 VAL A 5 10.207 -0.679 -12.732 1.00 0.64 H new ATOM 0 HG12 VAL A 5 8.809 0.389 -12.463 1.00 0.64 H new ATOM 0 HG13 VAL A 5 10.458 1.057 -12.430 1.00 0.64 H new ATOM 0 HG21 VAL A 5 11.681 -1.316 -10.852 1.00 0.66 H new ATOM 0 HG22 VAL A 5 12.014 0.384 -10.445 1.00 0.66 H new ATOM 0 HG23 VAL A 5 11.361 -0.717 -9.208 1.00 0.66 H new ATOM 91 N SER A 6 7.117 0.622 -10.379 1.00 0.51 N ATOM 92 CA SER A 6 5.748 0.916 -10.772 1.00 0.48 C ATOM 93 C SER A 6 4.775 0.062 -9.956 1.00 0.47 C ATOM 94 O SER A 6 5.117 -1.040 -9.530 1.00 0.47 O ATOM 95 CB SER A 6 5.540 0.673 -12.268 1.00 0.49 C ATOM 96 OG SER A 6 6.679 1.058 -13.035 1.00 0.55 O ATOM 0 H SER A 6 7.300 -0.360 -10.174 1.00 0.51 H new ATOM 0 HA SER A 6 5.554 1.970 -10.572 1.00 0.48 H new ATOM 0 HB2 SER A 6 5.328 -0.383 -12.438 1.00 0.49 H new ATOM 0 HB3 SER A 6 4.668 1.232 -12.608 1.00 0.49 H new ATOM 0 HG SER A 6 6.507 0.886 -13.984 1.00 0.55 H new ATOM 102 N SER A 7 3.582 0.603 -9.763 1.00 0.47 N ATOM 103 CA SER A 7 2.556 -0.095 -9.006 1.00 0.47 C ATOM 104 C SER A 7 1.173 0.437 -9.386 1.00 0.47 C ATOM 105 O SER A 7 1.059 1.476 -10.033 1.00 0.48 O ATOM 106 CB SER A 7 2.788 0.052 -7.501 1.00 0.49 C ATOM 107 OG SER A 7 2.880 1.418 -7.106 1.00 0.49 O ATOM 0 H SER A 7 3.302 1.517 -10.118 1.00 0.47 H new ATOM 0 HA SER A 7 2.609 -1.155 -9.252 1.00 0.47 H new ATOM 0 HB2 SER A 7 1.972 -0.428 -6.960 1.00 0.49 H new ATOM 0 HB3 SER A 7 3.705 -0.468 -7.223 1.00 0.49 H new ATOM 0 HG SER A 7 3.026 1.470 -6.138 1.00 0.49 H new ATOM 113 N THR A 8 0.156 -0.301 -8.965 1.00 0.48 N ATOM 114 CA THR A 8 -1.216 0.083 -9.252 1.00 0.49 C ATOM 115 C THR A 8 -2.092 -0.096 -8.011 1.00 0.46 C ATOM 116 O THR A 8 -3.070 -0.841 -8.039 1.00 0.47 O ATOM 117 CB THR A 8 -1.693 -0.731 -10.455 1.00 0.53 C ATOM 118 OG1 THR A 8 -0.943 -0.209 -11.549 1.00 0.65 O ATOM 119 CG2 THR A 8 -3.148 -0.433 -10.825 1.00 0.77 C ATOM 0 H THR A 8 0.255 -1.162 -8.428 1.00 0.48 H new ATOM 0 HA THR A 8 -1.285 1.140 -9.509 1.00 0.49 H new ATOM 0 HB THR A 8 -1.584 -1.794 -10.239 1.00 0.53 H new ATOM 0 HG1 THR A 8 -1.190 -0.683 -12.370 1.00 0.65 H new ATOM 0 HG21 THR A 8 -3.436 -1.037 -11.685 1.00 0.77 H new ATOM 0 HG22 THR A 8 -3.794 -0.672 -9.981 1.00 0.77 H new ATOM 0 HG23 THR A 8 -3.251 0.623 -11.073 1.00 0.77 H new ATOM 127 N PRO A 9 -1.697 0.615 -6.921 1.00 0.44 N ATOM 128 CA PRO A 9 -2.435 0.541 -5.671 1.00 0.42 C ATOM 129 C PRO A 9 -3.742 1.333 -5.758 1.00 0.45 C ATOM 130 O PRO A 9 -4.824 0.749 -5.777 1.00 0.50 O ATOM 131 CB PRO A 9 -1.482 1.083 -4.619 1.00 0.41 C ATOM 132 CG PRO A 9 -0.425 1.869 -5.379 1.00 0.43 C ATOM 133 CD PRO A 9 -0.543 1.506 -6.850 1.00 0.44 C ATOM 0 HA PRO A 9 -2.744 -0.475 -5.424 1.00 0.42 H new ATOM 0 HB2 PRO A 9 -2.007 1.721 -3.908 1.00 0.41 H new ATOM 0 HB3 PRO A 9 -1.030 0.273 -4.047 1.00 0.41 H new ATOM 0 HG2 PRO A 9 -0.570 2.940 -5.237 1.00 0.43 H new ATOM 0 HG3 PRO A 9 0.571 1.630 -5.005 1.00 0.43 H new ATOM 0 HD2 PRO A 9 -0.689 2.393 -7.466 1.00 0.44 H new ATOM 0 HD3 PRO A 9 0.360 1.013 -7.210 1.00 0.44 H new ATOM 141 N ALA A 10 -3.596 2.648 -5.808 1.00 0.45 N ATOM 142 CA ALA A 10 -4.752 3.526 -5.893 1.00 0.48 C ATOM 143 C ALA A 10 -4.288 4.982 -5.815 1.00 0.46 C ATOM 144 O ALA A 10 -4.877 5.785 -5.093 1.00 0.47 O ATOM 145 CB ALA A 10 -5.746 3.170 -4.785 1.00 0.51 C ATOM 0 H ALA A 10 -2.696 3.128 -5.791 1.00 0.45 H new ATOM 0 HA ALA A 10 -5.265 3.394 -6.846 1.00 0.48 H new ATOM 0 HB1 ALA A 10 -6.613 3.828 -4.848 1.00 0.51 H new ATOM 0 HB2 ALA A 10 -6.067 2.135 -4.903 1.00 0.51 H new ATOM 0 HB3 ALA A 10 -5.267 3.293 -3.813 1.00 0.51 H new ATOM 151 N GLU A 11 -3.239 5.277 -6.568 1.00 0.46 N ATOM 152 CA GLU A 11 -2.691 6.621 -6.593 1.00 0.49 C ATOM 153 C GLU A 11 -3.818 7.653 -6.660 1.00 0.52 C ATOM 154 O GLU A 11 -4.500 7.769 -7.677 1.00 0.60 O ATOM 155 CB GLU A 11 -1.718 6.795 -7.761 1.00 0.56 C ATOM 156 CG GLU A 11 -0.295 7.047 -7.258 1.00 0.57 C ATOM 157 CD GLU A 11 0.447 8.020 -8.176 1.00 1.63 C ATOM 158 OE1 GLU A 11 0.875 7.511 -9.280 1.00 2.16 O ATOM 159 OE2 GLU A 11 0.598 9.202 -7.832 1.00 3.20 O ATOM 0 H GLU A 11 -2.754 4.607 -7.166 1.00 0.46 H new ATOM 0 HA GLU A 11 -2.132 6.781 -5.671 1.00 0.49 H new ATOM 0 HB2 GLU A 11 -1.733 5.903 -8.387 1.00 0.56 H new ATOM 0 HB3 GLU A 11 -2.040 7.629 -8.385 1.00 0.56 H new ATOM 0 HG2 GLU A 11 -0.329 7.451 -6.246 1.00 0.57 H new ATOM 0 HG3 GLU A 11 0.249 6.104 -7.207 1.00 0.57 H new ATOM 166 N GLY A 12 -3.979 8.379 -5.562 1.00 0.48 N ATOM 167 CA GLY A 12 -5.012 9.397 -5.484 1.00 0.52 C ATOM 168 C GLY A 12 -6.285 8.944 -6.202 1.00 0.58 C ATOM 169 O GLY A 12 -6.961 9.748 -6.843 1.00 0.71 O ATOM 0 H GLY A 12 -3.411 8.282 -4.720 1.00 0.48 H new ATOM 0 HA2 GLY A 12 -5.237 9.613 -4.439 1.00 0.52 H new ATOM 0 HA3 GLY A 12 -4.649 10.323 -5.930 1.00 0.52 H new ATOM 173 N SER A 13 -6.575 7.658 -6.070 1.00 0.55 N ATOM 174 CA SER A 13 -7.754 7.088 -6.698 1.00 0.62 C ATOM 175 C SER A 13 -9.010 7.505 -5.928 1.00 0.51 C ATOM 176 O SER A 13 -9.321 6.933 -4.885 1.00 0.51 O ATOM 177 CB SER A 13 -7.658 5.563 -6.769 1.00 0.78 C ATOM 178 OG SER A 13 -7.141 5.119 -8.020 1.00 1.22 O ATOM 0 H SER A 13 -6.013 6.994 -5.537 1.00 0.55 H new ATOM 0 HA SER A 13 -7.816 7.469 -7.717 1.00 0.62 H new ATOM 0 HB2 SER A 13 -7.018 5.202 -5.964 1.00 0.78 H new ATOM 0 HB3 SER A 13 -8.646 5.130 -6.610 1.00 0.78 H new ATOM 0 HG SER A 13 -7.093 4.140 -8.025 1.00 1.22 H new ATOM 184 N GLU A 14 -9.697 8.498 -6.474 1.00 0.53 N ATOM 185 CA GLU A 14 -10.911 8.998 -5.852 1.00 0.57 C ATOM 186 C GLU A 14 -12.140 8.526 -6.631 1.00 0.67 C ATOM 187 O GLU A 14 -12.318 8.886 -7.795 1.00 0.77 O ATOM 188 CB GLU A 14 -10.883 10.524 -5.742 1.00 0.74 C ATOM 189 CG GLU A 14 -9.571 11.005 -5.120 1.00 0.78 C ATOM 190 CD GLU A 14 -9.334 12.486 -5.419 1.00 1.01 C ATOM 191 OE1 GLU A 14 -8.687 12.726 -6.509 1.00 2.12 O ATOM 192 OE2 GLU A 14 -9.752 13.352 -4.637 1.00 1.46 O ATOM 0 H GLU A 14 -9.436 8.969 -7.340 1.00 0.53 H new ATOM 0 HA GLU A 14 -10.970 8.595 -4.841 1.00 0.57 H new ATOM 0 HB2 GLU A 14 -11.004 10.966 -6.731 1.00 0.74 H new ATOM 0 HB3 GLU A 14 -11.723 10.864 -5.136 1.00 0.74 H new ATOM 0 HG2 GLU A 14 -9.596 10.847 -4.042 1.00 0.78 H new ATOM 0 HG3 GLU A 14 -8.742 10.414 -5.509 1.00 0.78 H new ATOM 199 N GLY A 15 -12.957 7.728 -5.960 1.00 0.72 N ATOM 200 CA GLY A 15 -14.164 7.204 -6.576 1.00 0.89 C ATOM 201 C GLY A 15 -14.623 5.922 -5.878 1.00 0.72 C ATOM 202 O GLY A 15 -15.814 5.740 -5.627 1.00 0.84 O ATOM 0 H GLY A 15 -12.807 7.431 -4.996 1.00 0.72 H new ATOM 0 HA2 GLY A 15 -14.955 7.952 -6.528 1.00 0.89 H new ATOM 0 HA3 GLY A 15 -13.980 7.002 -7.631 1.00 0.89 H new ATOM 206 N ALA A 16 -13.655 5.067 -5.583 1.00 0.80 N ATOM 207 CA ALA A 16 -13.945 3.808 -4.918 1.00 0.94 C ATOM 208 C ALA A 16 -12.631 3.090 -4.602 1.00 1.27 C ATOM 209 O ALA A 16 -11.580 3.450 -5.128 1.00 1.88 O ATOM 210 CB ALA A 16 -14.870 2.967 -5.801 1.00 1.24 C ATOM 0 H ALA A 16 -12.669 5.221 -5.792 1.00 0.80 H new ATOM 0 HA ALA A 16 -14.462 3.981 -3.974 1.00 0.94 H new ATOM 0 HB1 ALA A 16 -15.088 2.022 -5.303 1.00 1.24 H new ATOM 0 HB2 ALA A 16 -15.800 3.509 -5.974 1.00 1.24 H new ATOM 0 HB3 ALA A 16 -14.382 2.770 -6.755 1.00 1.24 H new ATOM 216 N ALA A 17 -12.735 2.088 -3.740 1.00 1.06 N ATOM 217 CA ALA A 17 -11.568 1.317 -3.345 1.00 1.36 C ATOM 218 C ALA A 17 -11.335 0.197 -4.362 1.00 1.16 C ATOM 219 O ALA A 17 -12.283 -0.443 -4.814 1.00 1.08 O ATOM 220 CB ALA A 17 -11.766 0.783 -1.926 1.00 1.78 C ATOM 0 H ALA A 17 -13.609 1.793 -3.305 1.00 1.06 H new ATOM 0 HA ALA A 17 -10.677 1.945 -3.336 1.00 1.36 H new ATOM 0 HB1 ALA A 17 -10.891 0.205 -1.629 1.00 1.78 H new ATOM 0 HB2 ALA A 17 -11.899 1.618 -1.238 1.00 1.78 H new ATOM 0 HB3 ALA A 17 -12.649 0.145 -1.897 1.00 1.78 H new ATOM 226 N PRO A 18 -10.035 -0.010 -4.700 1.00 1.17 N ATOM 227 CA PRO A 18 -9.665 -1.041 -5.655 1.00 1.08 C ATOM 228 C PRO A 18 -9.758 -2.431 -5.024 1.00 1.00 C ATOM 229 O PRO A 18 -9.387 -2.617 -3.866 1.00 1.59 O ATOM 230 CB PRO A 18 -8.254 -0.682 -6.095 1.00 1.24 C ATOM 231 CG PRO A 18 -7.714 0.262 -5.034 1.00 1.38 C ATOM 232 CD PRO A 18 -8.886 0.729 -4.184 1.00 1.36 C ATOM 0 HA PRO A 18 -10.337 -1.081 -6.512 1.00 1.08 H new ATOM 0 HB2 PRO A 18 -7.632 -1.573 -6.178 1.00 1.24 H new ATOM 0 HB3 PRO A 18 -8.260 -0.205 -7.075 1.00 1.24 H new ATOM 0 HG2 PRO A 18 -6.972 -0.243 -4.416 1.00 1.38 H new ATOM 0 HG3 PRO A 18 -7.216 1.113 -5.498 1.00 1.38 H new ATOM 0 HD2 PRO A 18 -8.719 0.516 -3.128 1.00 1.36 H new ATOM 0 HD3 PRO A 18 -9.035 1.805 -4.272 1.00 1.36 H new ATOM 240 N ALA A 19 -10.256 -3.372 -5.813 1.00 0.79 N ATOM 241 CA ALA A 19 -10.403 -4.740 -5.346 1.00 0.87 C ATOM 242 C ALA A 19 -9.106 -5.185 -4.667 1.00 0.75 C ATOM 243 O ALA A 19 -9.138 -5.803 -3.604 1.00 0.78 O ATOM 244 CB ALA A 19 -10.785 -5.643 -6.521 1.00 1.19 C ATOM 0 H ALA A 19 -10.563 -3.214 -6.773 1.00 0.79 H new ATOM 0 HA ALA A 19 -11.202 -4.809 -4.608 1.00 0.87 H new ATOM 0 HB1 ALA A 19 -10.895 -6.669 -6.170 1.00 1.19 H new ATOM 0 HB2 ALA A 19 -11.728 -5.303 -6.950 1.00 1.19 H new ATOM 0 HB3 ALA A 19 -10.005 -5.601 -7.281 1.00 1.19 H new ATOM 250 N LYS A 20 -7.996 -4.853 -5.309 1.00 0.67 N ATOM 251 CA LYS A 20 -6.690 -5.211 -4.780 1.00 0.61 C ATOM 252 C LYS A 20 -5.641 -4.239 -5.325 1.00 0.57 C ATOM 253 O LYS A 20 -5.781 -3.725 -6.433 1.00 0.68 O ATOM 254 CB LYS A 20 -6.377 -6.680 -5.072 1.00 0.63 C ATOM 255 CG LYS A 20 -6.347 -6.945 -6.579 1.00 0.69 C ATOM 256 CD LYS A 20 -7.529 -7.817 -7.006 1.00 1.71 C ATOM 257 CE LYS A 20 -7.082 -8.902 -7.988 1.00 2.00 C ATOM 258 NZ LYS A 20 -6.807 -8.317 -9.320 1.00 2.27 N ATOM 0 H LYS A 20 -7.973 -4.340 -6.190 1.00 0.67 H new ATOM 0 HA LYS A 20 -6.680 -5.117 -3.694 1.00 0.61 H new ATOM 0 HB2 LYS A 20 -5.415 -6.945 -4.633 1.00 0.63 H new ATOM 0 HB3 LYS A 20 -7.127 -7.316 -4.602 1.00 0.63 H new ATOM 0 HG2 LYS A 20 -6.375 -5.999 -7.119 1.00 0.69 H new ATOM 0 HG3 LYS A 20 -5.412 -7.437 -6.847 1.00 0.69 H new ATOM 0 HD2 LYS A 20 -7.981 -8.279 -6.128 1.00 1.71 H new ATOM 0 HD3 LYS A 20 -8.296 -7.196 -7.469 1.00 1.71 H new ATOM 0 HE2 LYS A 20 -6.187 -9.396 -7.610 1.00 2.00 H new ATOM 0 HE3 LYS A 20 -7.856 -9.665 -8.072 1.00 2.00 H new ATOM 0 HZ1 LYS A 20 -6.505 -9.068 -9.973 1.00 2.27 H new ATOM 0 HZ2 LYS A 20 -7.670 -7.866 -9.686 1.00 2.27 H new ATOM 0 HZ3 LYS A 20 -6.053 -7.606 -9.238 1.00 2.27 H new ATOM 272 N ILE A 21 -4.614 -4.015 -4.518 1.00 0.48 N ATOM 273 CA ILE A 21 -3.542 -3.114 -4.905 1.00 0.47 C ATOM 274 C ILE A 21 -2.468 -3.900 -5.659 1.00 0.46 C ATOM 275 O ILE A 21 -2.157 -5.035 -5.301 1.00 0.42 O ATOM 276 CB ILE A 21 -3.008 -2.361 -3.684 1.00 0.43 C ATOM 277 CG1 ILE A 21 -3.794 -1.069 -3.450 1.00 0.48 C ATOM 278 CG2 ILE A 21 -1.505 -2.103 -3.813 1.00 0.44 C ATOM 279 CD1 ILE A 21 -4.575 -1.134 -2.135 1.00 0.50 C ATOM 0 H ILE A 21 -4.502 -4.442 -3.598 1.00 0.48 H new ATOM 0 HA ILE A 21 -3.915 -2.349 -5.586 1.00 0.47 H new ATOM 0 HB ILE A 21 -3.152 -2.989 -2.805 1.00 0.43 H new ATOM 0 HG12 ILE A 21 -3.109 -0.221 -3.429 1.00 0.48 H new ATOM 0 HG13 ILE A 21 -4.483 -0.903 -4.278 1.00 0.48 H new ATOM 0 HG21 ILE A 21 -1.151 -1.567 -2.933 1.00 0.44 H new ATOM 0 HG22 ILE A 21 -0.978 -3.054 -3.895 1.00 0.44 H new ATOM 0 HG23 ILE A 21 -1.314 -1.504 -4.704 1.00 0.44 H new ATOM 0 HD11 ILE A 21 -5.125 -0.204 -1.992 1.00 0.50 H new ATOM 0 HD12 ILE A 21 -5.276 -1.968 -2.169 1.00 0.50 H new ATOM 0 HD13 ILE A 21 -3.881 -1.276 -1.306 1.00 0.50 H new ATOM 291 N GLU A 22 -1.932 -3.266 -6.692 1.00 0.53 N ATOM 292 CA GLU A 22 -0.899 -3.892 -7.501 1.00 0.54 C ATOM 293 C GLU A 22 0.457 -3.236 -7.232 1.00 0.53 C ATOM 294 O GLU A 22 0.523 -2.053 -6.898 1.00 0.51 O ATOM 295 CB GLU A 22 -1.254 -3.827 -8.988 1.00 0.54 C ATOM 296 CG GLU A 22 -1.399 -5.232 -9.577 1.00 0.65 C ATOM 297 CD GLU A 22 -1.325 -5.196 -11.106 1.00 1.07 C ATOM 298 OE1 GLU A 22 -1.846 -4.259 -11.730 1.00 2.02 O ATOM 299 OE2 GLU A 22 -0.697 -6.186 -11.644 1.00 1.59 O ATOM 0 H GLU A 22 -2.194 -2.325 -6.987 1.00 0.53 H new ATOM 0 HA GLU A 22 -0.833 -4.944 -7.222 1.00 0.54 H new ATOM 0 HB2 GLU A 22 -2.185 -3.275 -9.120 1.00 0.54 H new ATOM 0 HB3 GLU A 22 -0.480 -3.280 -9.527 1.00 0.54 H new ATOM 0 HG2 GLU A 22 -0.612 -5.877 -9.186 1.00 0.65 H new ATOM 0 HG3 GLU A 22 -2.350 -5.665 -9.265 1.00 0.65 H new ATOM 306 N LEU A 23 1.505 -4.031 -7.388 1.00 0.55 N ATOM 307 CA LEU A 23 2.855 -3.542 -7.167 1.00 0.55 C ATOM 308 C LEU A 23 3.812 -4.247 -8.129 1.00 0.56 C ATOM 309 O LEU A 23 3.653 -5.434 -8.410 1.00 0.58 O ATOM 310 CB LEU A 23 3.243 -3.692 -5.694 1.00 0.62 C ATOM 311 CG LEU A 23 2.338 -2.981 -4.686 1.00 0.60 C ATOM 312 CD1 LEU A 23 2.478 -3.598 -3.293 1.00 0.65 C ATOM 313 CD2 LEU A 23 2.604 -1.474 -4.676 1.00 0.59 C ATOM 0 H LEU A 23 1.446 -5.011 -7.665 1.00 0.55 H new ATOM 0 HA LEU A 23 2.914 -2.475 -7.383 1.00 0.55 H new ATOM 0 HB2 LEU A 23 3.261 -4.754 -5.450 1.00 0.62 H new ATOM 0 HB3 LEU A 23 4.259 -3.318 -5.567 1.00 0.62 H new ATOM 0 HG LEU A 23 1.303 -3.122 -4.998 1.00 0.60 H new ATOM 0 HD11 LEU A 23 1.824 -3.074 -2.596 1.00 0.65 H new ATOM 0 HD12 LEU A 23 2.198 -4.651 -3.332 1.00 0.65 H new ATOM 0 HD13 LEU A 23 3.511 -3.509 -2.958 1.00 0.65 H new ATOM 0 HD21 LEU A 23 1.947 -0.993 -3.951 1.00 0.59 H new ATOM 0 HD22 LEU A 23 3.643 -1.290 -4.403 1.00 0.59 H new ATOM 0 HD23 LEU A 23 2.412 -1.064 -5.667 1.00 0.59 H new ATOM 325 N HIS A 24 4.785 -3.487 -8.608 1.00 0.55 N ATOM 326 CA HIS A 24 5.769 -4.024 -9.533 1.00 0.57 C ATOM 327 C HIS A 24 7.165 -3.543 -9.134 1.00 0.59 C ATOM 328 O HIS A 24 7.306 -2.522 -8.465 1.00 0.58 O ATOM 329 CB HIS A 24 5.409 -3.665 -10.977 1.00 0.56 C ATOM 330 CG HIS A 24 4.344 -4.550 -11.582 1.00 0.58 C ATOM 331 ND1 HIS A 24 4.636 -5.732 -12.238 1.00 0.68 N ATOM 332 CD2 HIS A 24 2.989 -4.412 -11.621 1.00 0.60 C ATOM 333 CE1 HIS A 24 3.500 -6.273 -12.652 1.00 0.69 C ATOM 334 NE2 HIS A 24 2.479 -5.453 -12.268 1.00 0.63 N ATOM 0 H HIS A 24 4.914 -2.503 -8.373 1.00 0.55 H new ATOM 0 HA HIS A 24 5.768 -5.113 -9.479 1.00 0.57 H new ATOM 0 HB2 HIS A 24 5.069 -2.630 -11.009 1.00 0.56 H new ATOM 0 HB3 HIS A 24 6.308 -3.724 -11.590 1.00 0.56 H new ATOM 0 HD1 HIS A 24 5.568 -6.121 -12.379 1.00 0.68 H new ATOM 0 HD2 HIS A 24 2.425 -3.594 -11.197 1.00 0.60 H new ATOM 0 HE1 HIS A 24 3.400 -7.200 -13.197 1.00 0.69 H new ATOM 342 N PHE A 25 8.162 -4.304 -9.561 1.00 0.67 N ATOM 343 CA PHE A 25 9.543 -3.969 -9.258 1.00 0.70 C ATOM 344 C PHE A 25 10.494 -4.566 -10.295 1.00 0.78 C ATOM 345 O PHE A 25 10.882 -5.730 -10.190 1.00 0.89 O ATOM 346 CB PHE A 25 9.858 -4.572 -7.887 1.00 0.78 C ATOM 347 CG PHE A 25 9.494 -3.666 -6.709 1.00 0.72 C ATOM 348 CD1 PHE A 25 8.208 -3.606 -6.269 1.00 1.79 C ATOM 349 CD2 PHE A 25 10.456 -2.920 -6.102 1.00 1.92 C ATOM 350 CE1 PHE A 25 7.871 -2.764 -5.176 1.00 1.80 C ATOM 351 CE2 PHE A 25 10.118 -2.079 -5.010 1.00 2.10 C ATOM 352 CZ PHE A 25 8.833 -2.019 -4.569 1.00 1.14 C ATOM 0 H PHE A 25 8.041 -5.152 -10.115 1.00 0.67 H new ATOM 0 HA PHE A 25 9.674 -2.887 -9.267 1.00 0.70 H new ATOM 0 HB2 PHE A 25 9.322 -5.516 -7.785 1.00 0.78 H new ATOM 0 HB3 PHE A 25 10.922 -4.803 -7.839 1.00 0.78 H new ATOM 0 HD1 PHE A 25 7.444 -4.198 -6.751 1.00 1.79 H new ATOM 0 HD2 PHE A 25 11.477 -2.968 -6.451 1.00 1.92 H new ATOM 0 HE1 PHE A 25 6.850 -2.715 -4.827 1.00 1.80 H new ATOM 0 HE2 PHE A 25 10.882 -1.486 -4.529 1.00 2.10 H new ATOM 0 HZ PHE A 25 8.577 -1.380 -3.737 1.00 1.14 H new ATOM 362 N SER A 26 10.843 -3.746 -11.275 1.00 1.03 N ATOM 363 CA SER A 26 11.741 -4.179 -12.332 1.00 1.16 C ATOM 364 C SER A 26 13.154 -4.361 -11.774 1.00 1.21 C ATOM 365 O SER A 26 14.044 -4.841 -12.475 1.00 1.34 O ATOM 366 CB SER A 26 11.752 -3.179 -13.490 1.00 1.60 C ATOM 367 OG SER A 26 11.888 -3.825 -14.752 1.00 2.07 O ATOM 0 H SER A 26 10.519 -2.782 -11.359 1.00 1.03 H new ATOM 0 HA SER A 26 11.382 -5.134 -12.717 1.00 1.16 H new ATOM 0 HB2 SER A 26 10.829 -2.599 -13.477 1.00 1.60 H new ATOM 0 HB3 SER A 26 12.573 -2.475 -13.353 1.00 1.60 H new ATOM 0 HG SER A 26 11.889 -3.153 -15.465 1.00 2.07 H new ATOM 499 N GLY A 35 6.991 -4.826 3.514 1.00 0.81 N ATOM 500 CA GLY A 35 5.740 -4.789 4.251 1.00 1.22 C ATOM 501 C GLY A 35 4.982 -3.488 3.980 1.00 1.13 C ATOM 502 O GLY A 35 5.592 -2.456 3.703 1.00 1.33 O ATOM 0 HA2 GLY A 35 5.121 -5.640 3.967 1.00 1.22 H new ATOM 0 HA3 GLY A 35 5.940 -4.882 5.318 1.00 1.22 H new ATOM 506 N ALA A 36 3.664 -3.578 4.071 1.00 0.90 N ATOM 507 CA ALA A 36 2.816 -2.421 3.839 1.00 0.83 C ATOM 508 C ALA A 36 1.681 -2.412 4.864 1.00 0.83 C ATOM 509 O ALA A 36 1.394 -3.434 5.486 1.00 0.92 O ATOM 510 CB ALA A 36 2.301 -2.445 2.398 1.00 0.86 C ATOM 0 H ALA A 36 3.162 -4.435 4.302 1.00 0.90 H new ATOM 0 HA ALA A 36 3.383 -1.499 3.967 1.00 0.83 H new ATOM 0 HB1 ALA A 36 1.665 -1.577 2.224 1.00 0.86 H new ATOM 0 HB2 ALA A 36 3.146 -2.420 1.709 1.00 0.86 H new ATOM 0 HB3 ALA A 36 1.725 -3.356 2.233 1.00 0.86 H new ATOM 516 N LYS A 37 1.066 -1.248 5.009 1.00 0.78 N ATOM 517 CA LYS A 37 -0.032 -1.092 5.948 1.00 0.83 C ATOM 518 C LYS A 37 -0.926 0.064 5.495 1.00 0.79 C ATOM 519 O LYS A 37 -0.445 1.175 5.276 1.00 0.75 O ATOM 520 CB LYS A 37 0.501 -0.936 7.373 1.00 0.90 C ATOM 521 CG LYS A 37 0.398 -2.253 8.145 1.00 1.08 C ATOM 522 CD LYS A 37 0.867 -2.080 9.591 1.00 1.58 C ATOM 523 CE LYS A 37 0.765 -3.397 10.362 1.00 1.92 C ATOM 524 NZ LYS A 37 1.877 -3.519 11.330 1.00 2.51 N ATOM 0 H LYS A 37 1.307 -0.403 4.491 1.00 0.78 H new ATOM 0 HA LYS A 37 -0.653 -1.988 5.961 1.00 0.83 H new ATOM 0 HB2 LYS A 37 1.540 -0.609 7.342 1.00 0.90 H new ATOM 0 HB3 LYS A 37 -0.062 -0.161 7.893 1.00 0.90 H new ATOM 0 HG2 LYS A 37 -0.633 -2.606 8.133 1.00 1.08 H new ATOM 0 HG3 LYS A 37 1.001 -3.016 7.652 1.00 1.08 H new ATOM 0 HD2 LYS A 37 1.898 -1.727 9.603 1.00 1.58 H new ATOM 0 HD3 LYS A 37 0.263 -1.318 10.084 1.00 1.58 H new ATOM 0 HE2 LYS A 37 -0.189 -3.445 10.887 1.00 1.92 H new ATOM 0 HE3 LYS A 37 0.788 -4.235 9.666 1.00 1.92 H new ATOM 0 HZ1 LYS A 37 1.792 -4.419 11.845 1.00 2.51 H new ATOM 0 HZ2 LYS A 37 2.784 -3.495 10.822 1.00 2.51 H new ATOM 0 HZ3 LYS A 37 1.838 -2.729 12.005 1.00 2.51 H new ATOM 538 N LEU A 38 -2.210 -0.237 5.367 1.00 0.84 N ATOM 539 CA LEU A 38 -3.174 0.763 4.943 1.00 0.85 C ATOM 540 C LEU A 38 -3.872 1.345 6.175 1.00 0.85 C ATOM 541 O LEU A 38 -4.363 0.602 7.024 1.00 0.91 O ATOM 542 CB LEU A 38 -4.138 0.175 3.910 1.00 0.90 C ATOM 543 CG LEU A 38 -5.333 1.053 3.533 1.00 1.01 C ATOM 544 CD1 LEU A 38 -4.885 2.480 3.210 1.00 1.06 C ATOM 545 CD2 LEU A 38 -6.130 0.429 2.385 1.00 1.18 C ATOM 0 H LEU A 38 -2.605 -1.160 5.550 1.00 0.84 H new ATOM 0 HA LEU A 38 -2.671 1.589 4.440 1.00 0.85 H new ATOM 0 HB2 LEU A 38 -3.576 -0.048 3.003 1.00 0.90 H new ATOM 0 HB3 LEU A 38 -4.515 -0.773 4.293 1.00 0.90 H new ATOM 0 HG LEU A 38 -5.999 1.112 4.394 1.00 1.01 H new ATOM 0 HD11 LEU A 38 -5.754 3.083 2.945 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -4.394 2.913 4.082 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -4.187 2.462 2.373 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -6.974 1.072 2.136 1.00 1.18 H new ATOM 0 HD22 LEU A 38 -5.486 0.321 1.512 1.00 1.18 H new ATOM 0 HD23 LEU A 38 -6.498 -0.551 2.688 1.00 1.18 H new ATOM 557 N VAL A 39 -3.894 2.668 6.232 1.00 0.88 N ATOM 558 CA VAL A 39 -4.524 3.359 7.345 1.00 0.89 C ATOM 559 C VAL A 39 -5.753 4.117 6.840 1.00 0.72 C ATOM 560 O VAL A 39 -5.747 4.649 5.731 1.00 0.62 O ATOM 561 CB VAL A 39 -3.507 4.265 8.042 1.00 1.07 C ATOM 562 CG1 VAL A 39 -2.271 3.473 8.473 1.00 1.23 C ATOM 563 CG2 VAL A 39 -3.119 5.444 7.146 1.00 1.05 C ATOM 0 H VAL A 39 -3.486 3.280 5.526 1.00 0.88 H new ATOM 0 HA VAL A 39 -4.868 2.644 8.092 1.00 0.89 H new ATOM 0 HB VAL A 39 -3.976 4.667 8.940 1.00 1.07 H new ATOM 0 HG11 VAL A 39 -1.564 4.141 8.966 1.00 1.23 H new ATOM 0 HG12 VAL A 39 -2.567 2.684 9.164 1.00 1.23 H new ATOM 0 HG13 VAL A 39 -1.800 3.029 7.596 1.00 1.23 H new ATOM 0 HG21 VAL A 39 -2.395 6.073 7.665 1.00 1.05 H new ATOM 0 HG22 VAL A 39 -2.678 5.069 6.222 1.00 1.05 H new ATOM 0 HG23 VAL A 39 -4.007 6.031 6.912 1.00 1.05 H new ATOM 573 N MET A 40 -6.779 4.142 7.678 1.00 0.79 N ATOM 574 CA MET A 40 -8.012 4.827 7.330 1.00 0.67 C ATOM 575 C MET A 40 -8.051 6.230 7.938 1.00 0.76 C ATOM 576 O MET A 40 -8.409 6.396 9.104 1.00 0.82 O ATOM 577 CB MET A 40 -9.208 4.017 7.839 1.00 0.65 C ATOM 578 CG MET A 40 -10.523 4.749 7.566 1.00 0.57 C ATOM 579 SD MET A 40 -11.600 4.617 8.983 1.00 0.91 S ATOM 580 CE MET A 40 -11.669 6.330 9.480 1.00 2.55 C ATOM 0 H MET A 40 -6.782 3.699 8.597 1.00 0.79 H new ATOM 0 HA MET A 40 -8.059 4.920 6.245 1.00 0.67 H new ATOM 0 HB2 MET A 40 -9.224 3.041 7.354 1.00 0.65 H new ATOM 0 HB3 MET A 40 -9.102 3.839 8.909 1.00 0.65 H new ATOM 0 HG2 MET A 40 -10.326 5.798 7.345 1.00 0.57 H new ATOM 0 HG3 MET A 40 -11.010 4.324 6.688 1.00 0.57 H new ATOM 0 HE1 MET A 40 -11.617 6.396 10.567 1.00 2.55 H new ATOM 0 HE2 MET A 40 -10.829 6.870 9.043 1.00 2.55 H new ATOM 0 HE3 MET A 40 -12.603 6.772 9.134 1.00 2.55 H new ATOM 590 N THR A 41 -7.678 7.205 7.121 1.00 0.80 N ATOM 591 CA THR A 41 -7.666 8.588 7.564 1.00 0.96 C ATOM 592 C THR A 41 -8.785 9.377 6.881 1.00 0.97 C ATOM 593 O THR A 41 -8.522 10.344 6.169 1.00 1.14 O ATOM 594 CB THR A 41 -6.271 9.158 7.297 1.00 1.16 C ATOM 595 OG1 THR A 41 -6.406 10.549 7.574 1.00 1.42 O ATOM 596 CG2 THR A 41 -5.892 9.108 5.816 1.00 1.11 C ATOM 0 H THR A 41 -7.382 7.064 6.155 1.00 0.80 H new ATOM 0 HA THR A 41 -7.865 8.662 8.633 1.00 0.96 H new ATOM 0 HB THR A 41 -5.535 8.604 7.879 1.00 1.16 H new ATOM 0 HG1 THR A 41 -7.088 10.935 6.985 1.00 1.42 H new ATOM 0 HG21 THR A 41 -4.894 9.524 5.682 1.00 1.11 H new ATOM 0 HG22 THR A 41 -5.903 8.074 5.472 1.00 1.11 H new ATOM 0 HG23 THR A 41 -6.609 9.690 5.237 1.00 1.11 H new ATOM 604 N ALA A 42 -10.010 8.933 7.123 1.00 0.86 N ATOM 605 CA ALA A 42 -11.170 9.586 6.540 1.00 0.96 C ATOM 606 C ALA A 42 -11.296 11.000 7.111 1.00 1.24 C ATOM 607 O ALA A 42 -11.006 11.978 6.424 1.00 2.14 O ATOM 608 CB ALA A 42 -12.418 8.739 6.803 1.00 1.01 C ATOM 0 H ALA A 42 -10.224 8.130 7.714 1.00 0.86 H new ATOM 0 HA ALA A 42 -11.057 9.676 5.460 1.00 0.96 H new ATOM 0 HB1 ALA A 42 -13.288 9.228 6.366 1.00 1.01 H new ATOM 0 HB2 ALA A 42 -12.291 7.754 6.353 1.00 1.01 H new ATOM 0 HB3 ALA A 42 -12.564 8.630 7.878 1.00 1.01 H new ATOM 726 N MET A 51 -6.457 5.593 11.739 1.00 1.26 N ATOM 727 CA MET A 51 -6.530 4.225 12.221 1.00 1.17 C ATOM 728 C MET A 51 -5.937 3.251 11.201 1.00 1.21 C ATOM 729 O MET A 51 -5.886 3.550 10.009 1.00 1.57 O ATOM 730 CB MET A 51 -7.991 3.856 12.489 1.00 1.02 C ATOM 731 CG MET A 51 -8.385 4.189 13.930 1.00 1.19 C ATOM 732 SD MET A 51 -8.623 5.948 14.108 1.00 2.98 S ATOM 733 CE MET A 51 -8.649 6.079 15.888 1.00 3.26 C ATOM 0 HA MET A 51 -5.952 4.153 13.142 1.00 1.17 H new ATOM 0 HB2 MET A 51 -8.639 4.395 11.797 1.00 1.02 H new ATOM 0 HB3 MET A 51 -8.141 2.792 12.304 1.00 1.02 H new ATOM 0 HG2 MET A 51 -9.301 3.661 14.196 1.00 1.19 H new ATOM 0 HG3 MET A 51 -7.609 3.848 14.616 1.00 1.19 H new ATOM 0 HE1 MET A 51 -8.791 7.121 16.174 1.00 3.26 H new ATOM 0 HE2 MET A 51 -9.468 5.479 16.285 1.00 3.26 H new ATOM 0 HE3 MET A 51 -7.704 5.717 16.293 1.00 3.26 H new ATOM 743 N ALA A 52 -5.504 2.106 11.707 1.00 1.07 N ATOM 744 CA ALA A 52 -4.915 1.086 10.855 1.00 1.07 C ATOM 745 C ALA A 52 -5.993 0.077 10.456 1.00 0.95 C ATOM 746 O ALA A 52 -6.894 -0.216 11.241 1.00 0.92 O ATOM 747 CB ALA A 52 -3.740 0.429 11.582 1.00 1.18 C ATOM 0 H ALA A 52 -5.549 1.862 12.696 1.00 1.07 H new ATOM 0 HA ALA A 52 -4.524 1.529 9.939 1.00 1.07 H new ATOM 0 HB1 ALA A 52 -3.299 -0.336 10.943 1.00 1.18 H new ATOM 0 HB2 ALA A 52 -2.989 1.184 11.816 1.00 1.18 H new ATOM 0 HB3 ALA A 52 -4.094 -0.030 12.505 1.00 1.18 H new ATOM 753 N VAL A 53 -5.865 -0.427 9.238 1.00 0.93 N ATOM 754 CA VAL A 53 -6.817 -1.397 8.726 1.00 0.86 C ATOM 755 C VAL A 53 -6.136 -2.763 8.609 1.00 0.94 C ATOM 756 O VAL A 53 -4.910 -2.845 8.548 1.00 1.16 O ATOM 757 CB VAL A 53 -7.403 -0.907 7.400 1.00 0.82 C ATOM 758 CG1 VAL A 53 -6.481 -1.256 6.230 1.00 0.85 C ATOM 759 CG2 VAL A 53 -8.808 -1.472 7.179 1.00 0.82 C ATOM 0 H VAL A 53 -5.116 -0.182 8.590 1.00 0.93 H new ATOM 0 HA VAL A 53 -7.654 -1.509 9.415 1.00 0.86 H new ATOM 0 HB VAL A 53 -7.483 0.179 7.450 1.00 0.82 H new ATOM 0 HG11 VAL A 53 -6.921 -0.896 5.300 1.00 0.85 H new ATOM 0 HG12 VAL A 53 -5.510 -0.783 6.378 1.00 0.85 H new ATOM 0 HG13 VAL A 53 -6.354 -2.337 6.177 1.00 0.85 H new ATOM 0 HG21 VAL A 53 -9.201 -1.108 6.230 1.00 0.82 H new ATOM 0 HG22 VAL A 53 -8.763 -2.561 7.160 1.00 0.82 H new ATOM 0 HG23 VAL A 53 -9.461 -1.150 7.990 1.00 0.82 H new ATOM 769 N LYS A 54 -6.960 -3.799 8.583 1.00 0.86 N ATOM 770 CA LYS A 54 -6.452 -5.156 8.476 1.00 0.96 C ATOM 771 C LYS A 54 -6.276 -5.514 6.998 1.00 0.94 C ATOM 772 O LYS A 54 -7.247 -5.555 6.246 1.00 1.11 O ATOM 773 CB LYS A 54 -7.352 -6.128 9.241 1.00 1.03 C ATOM 774 CG LYS A 54 -8.668 -6.360 8.494 1.00 2.10 C ATOM 775 CD LYS A 54 -9.797 -6.704 9.468 1.00 2.33 C ATOM 776 CE LYS A 54 -10.352 -5.443 10.133 1.00 4.09 C ATOM 777 NZ LYS A 54 -9.581 -5.120 11.354 1.00 4.55 N ATOM 0 H LYS A 54 -7.976 -3.727 8.634 1.00 0.86 H new ATOM 0 HA LYS A 54 -5.470 -5.233 8.943 1.00 0.96 H new ATOM 0 HB2 LYS A 54 -6.835 -7.078 9.377 1.00 1.03 H new ATOM 0 HB3 LYS A 54 -7.559 -5.732 10.235 1.00 1.03 H new ATOM 0 HG2 LYS A 54 -8.931 -5.467 7.927 1.00 2.10 H new ATOM 0 HG3 LYS A 54 -8.544 -7.169 7.774 1.00 2.10 H new ATOM 0 HD2 LYS A 54 -10.596 -7.220 8.936 1.00 2.33 H new ATOM 0 HD3 LYS A 54 -9.427 -7.389 10.231 1.00 2.33 H new ATOM 0 HE2 LYS A 54 -10.307 -4.607 9.435 1.00 4.09 H new ATOM 0 HE3 LYS A 54 -11.402 -5.590 10.387 1.00 4.09 H new ATOM 0 HZ1 LYS A 54 -10.212 -4.688 12.059 1.00 4.55 H new ATOM 0 HZ2 LYS A 54 -9.170 -5.991 11.746 1.00 4.55 H new ATOM 0 HZ3 LYS A 54 -8.818 -4.454 11.117 1.00 4.55 H new ATOM 791 N ALA A 55 -5.028 -5.765 6.628 1.00 0.87 N ATOM 792 CA ALA A 55 -4.712 -6.118 5.255 1.00 0.84 C ATOM 793 C ALA A 55 -3.510 -7.065 5.240 1.00 0.91 C ATOM 794 O ALA A 55 -2.917 -7.337 6.282 1.00 0.97 O ATOM 795 CB ALA A 55 -4.461 -4.845 4.444 1.00 0.79 C ATOM 0 H ALA A 55 -4.225 -5.731 7.255 1.00 0.87 H new ATOM 0 HA ALA A 55 -5.549 -6.640 4.791 1.00 0.84 H new ATOM 0 HB1 ALA A 55 -4.224 -5.111 3.414 1.00 0.79 H new ATOM 0 HB2 ALA A 55 -5.354 -4.221 4.461 1.00 0.79 H new ATOM 0 HB3 ALA A 55 -3.626 -4.296 4.878 1.00 0.79 H new ATOM 801 N ALA A 56 -3.188 -7.542 4.046 1.00 0.92 N ATOM 802 CA ALA A 56 -2.067 -8.453 3.882 1.00 1.01 C ATOM 803 C ALA A 56 -1.409 -8.204 2.523 1.00 0.86 C ATOM 804 O ALA A 56 -2.096 -8.013 1.522 1.00 0.69 O ATOM 805 CB ALA A 56 -2.555 -9.894 4.039 1.00 1.17 C ATOM 0 H ALA A 56 -3.683 -7.315 3.184 1.00 0.92 H new ATOM 0 HA ALA A 56 -1.313 -8.279 4.650 1.00 1.01 H new ATOM 0 HB1 ALA A 56 -1.715 -10.578 3.916 1.00 1.17 H new ATOM 0 HB2 ALA A 56 -2.988 -10.025 5.031 1.00 1.17 H new ATOM 0 HB3 ALA A 56 -3.310 -10.107 3.282 1.00 1.17 H new ATOM 811 N VAL A 57 -0.084 -8.215 2.533 1.00 1.01 N ATOM 812 CA VAL A 57 0.676 -7.994 1.315 1.00 0.91 C ATOM 813 C VAL A 57 1.213 -9.332 0.803 1.00 1.05 C ATOM 814 O VAL A 57 1.864 -10.067 1.544 1.00 1.28 O ATOM 815 CB VAL A 57 1.778 -6.963 1.566 1.00 1.01 C ATOM 816 CG1 VAL A 57 2.597 -7.327 2.806 1.00 1.80 C ATOM 817 CG2 VAL A 57 2.679 -6.814 0.338 1.00 2.26 C ATOM 0 H VAL A 57 0.483 -8.374 3.366 1.00 1.01 H new ATOM 0 HA VAL A 57 0.036 -7.582 0.535 1.00 0.91 H new ATOM 0 HB VAL A 57 1.301 -6.000 1.750 1.00 1.01 H new ATOM 0 HG11 VAL A 57 3.373 -6.578 2.962 1.00 1.80 H new ATOM 0 HG12 VAL A 57 1.943 -7.359 3.678 1.00 1.80 H new ATOM 0 HG13 VAL A 57 3.059 -8.304 2.663 1.00 1.80 H new ATOM 0 HG21 VAL A 57 3.454 -6.075 0.543 1.00 2.26 H new ATOM 0 HG22 VAL A 57 3.143 -7.773 0.109 1.00 2.26 H new ATOM 0 HG23 VAL A 57 2.082 -6.487 -0.514 1.00 2.26 H new ATOM 827 N SER A 58 0.920 -9.607 -0.459 1.00 0.96 N ATOM 828 CA SER A 58 1.366 -10.844 -1.078 1.00 1.15 C ATOM 829 C SER A 58 1.993 -10.550 -2.443 1.00 1.05 C ATOM 830 O SER A 58 1.991 -9.407 -2.898 1.00 1.41 O ATOM 831 CB SER A 58 0.209 -11.833 -1.228 1.00 1.31 C ATOM 832 OG SER A 58 -0.537 -11.969 -0.021 1.00 1.43 O ATOM 0 H SER A 58 0.379 -8.995 -1.070 1.00 0.96 H new ATOM 0 HA SER A 58 2.116 -11.299 -0.431 1.00 1.15 H new ATOM 0 HB2 SER A 58 -0.452 -11.499 -2.027 1.00 1.31 H new ATOM 0 HB3 SER A 58 0.600 -12.806 -1.524 1.00 1.31 H new ATOM 0 HG SER A 58 -1.268 -12.608 -0.158 1.00 1.43 H new ATOM 838 N GLY A 59 2.514 -11.602 -3.058 1.00 0.79 N ATOM 839 CA GLY A 59 3.144 -11.470 -4.361 1.00 0.70 C ATOM 840 C GLY A 59 2.187 -11.897 -5.476 1.00 0.74 C ATOM 841 O GLY A 59 1.296 -12.714 -5.256 1.00 0.92 O ATOM 0 H GLY A 59 2.513 -12.549 -2.678 1.00 0.79 H new ATOM 0 HA2 GLY A 59 3.453 -10.436 -4.517 1.00 0.70 H new ATOM 0 HA3 GLY A 59 4.046 -12.081 -4.397 1.00 0.70 H new ATOM 885 N LYS A 64 8.889 -10.314 -8.408 1.00 1.09 N ATOM 886 CA LYS A 64 9.156 -8.948 -8.822 1.00 1.10 C ATOM 887 C LYS A 64 7.850 -8.152 -8.811 1.00 0.95 C ATOM 888 O LYS A 64 7.866 -6.924 -8.893 1.00 1.14 O ATOM 889 CB LYS A 64 9.878 -8.927 -10.171 1.00 1.20 C ATOM 890 CG LYS A 64 8.965 -9.437 -11.288 1.00 1.19 C ATOM 891 CD LYS A 64 8.424 -8.277 -12.127 1.00 1.76 C ATOM 892 CE LYS A 64 8.096 -8.737 -13.549 1.00 2.21 C ATOM 893 NZ LYS A 64 7.364 -7.678 -14.280 1.00 3.38 N ATOM 0 HA LYS A 64 9.832 -8.462 -8.118 1.00 1.10 H new ATOM 0 HB2 LYS A 64 10.204 -7.912 -10.398 1.00 1.20 H new ATOM 0 HB3 LYS A 64 10.774 -9.545 -10.118 1.00 1.20 H new ATOM 0 HG2 LYS A 64 9.517 -10.126 -11.927 1.00 1.19 H new ATOM 0 HG3 LYS A 64 8.135 -9.997 -10.857 1.00 1.19 H new ATOM 0 HD2 LYS A 64 7.529 -7.870 -11.657 1.00 1.76 H new ATOM 0 HD3 LYS A 64 9.160 -7.474 -12.161 1.00 1.76 H new ATOM 0 HE2 LYS A 64 9.016 -8.984 -14.079 1.00 2.21 H new ATOM 0 HE3 LYS A 64 7.495 -9.645 -13.514 1.00 2.21 H new ATOM 0 HZ1 LYS A 64 7.149 -8.006 -15.243 1.00 3.38 H new ATOM 0 HZ2 LYS A 64 6.477 -7.462 -13.782 1.00 3.38 H new ATOM 0 HZ3 LYS A 64 7.951 -6.821 -14.329 1.00 3.38 H new ATOM 907 N THR A 65 6.750 -8.882 -8.708 1.00 0.70 N ATOM 908 CA THR A 65 5.437 -8.259 -8.685 1.00 0.59 C ATOM 909 C THR A 65 4.731 -8.552 -7.360 1.00 0.57 C ATOM 910 O THR A 65 4.696 -9.697 -6.911 1.00 0.67 O ATOM 911 CB THR A 65 4.660 -8.749 -9.909 1.00 0.69 C ATOM 912 OG1 THR A 65 5.039 -7.847 -10.944 1.00 0.78 O ATOM 913 CG2 THR A 65 3.151 -8.539 -9.766 1.00 0.64 C ATOM 0 H THR A 65 6.740 -9.900 -8.639 1.00 0.70 H new ATOM 0 HA THR A 65 5.513 -7.173 -8.743 1.00 0.59 H new ATOM 0 HB THR A 65 4.866 -9.807 -10.071 1.00 0.69 H new ATOM 0 HG1 THR A 65 4.766 -6.938 -10.702 1.00 0.78 H new ATOM 0 HG21 THR A 65 2.647 -8.903 -10.661 1.00 0.64 H new ATOM 0 HG22 THR A 65 2.788 -9.087 -8.896 1.00 0.64 H new ATOM 0 HG23 THR A 65 2.942 -7.477 -9.639 1.00 0.64 H new ATOM 921 N MET A 66 4.186 -7.498 -6.771 1.00 0.52 N ATOM 922 CA MET A 66 3.483 -7.628 -5.505 1.00 0.52 C ATOM 923 C MET A 66 2.014 -7.224 -5.651 1.00 0.45 C ATOM 924 O MET A 66 1.624 -6.639 -6.660 1.00 0.57 O ATOM 925 CB MET A 66 4.155 -6.742 -4.454 1.00 0.55 C ATOM 926 CG MET A 66 4.919 -7.587 -3.433 1.00 0.82 C ATOM 927 SD MET A 66 6.613 -7.035 -3.329 1.00 1.44 S ATOM 928 CE MET A 66 7.171 -7.432 -4.977 1.00 1.05 C ATOM 0 H MET A 66 4.217 -6.550 -7.147 1.00 0.52 H new ATOM 0 HA MET A 66 3.525 -8.671 -5.192 1.00 0.52 H new ATOM 0 HB2 MET A 66 4.839 -6.048 -4.942 1.00 0.55 H new ATOM 0 HB3 MET A 66 3.402 -6.142 -3.944 1.00 0.55 H new ATOM 0 HG2 MET A 66 4.442 -7.510 -2.456 1.00 0.82 H new ATOM 0 HG3 MET A 66 4.887 -8.638 -3.722 1.00 0.82 H new ATOM 0 HE1 MET A 66 8.253 -7.561 -4.973 1.00 1.05 H new ATOM 0 HE2 MET A 66 6.697 -8.355 -5.309 1.00 1.05 H new ATOM 0 HE3 MET A 66 6.904 -6.622 -5.656 1.00 1.05 H new ATOM 938 N VAL A 67 1.240 -7.552 -4.627 1.00 0.44 N ATOM 939 CA VAL A 67 -0.177 -7.230 -4.628 1.00 0.44 C ATOM 940 C VAL A 67 -0.682 -7.162 -3.185 1.00 0.54 C ATOM 941 O VAL A 67 -0.328 -8.005 -2.361 1.00 0.92 O ATOM 942 CB VAL A 67 -0.943 -8.242 -5.482 1.00 0.46 C ATOM 943 CG1 VAL A 67 -0.944 -9.624 -4.826 1.00 2.62 C ATOM 944 CG2 VAL A 67 -2.370 -7.762 -5.752 1.00 2.33 C ATOM 0 H VAL A 67 1.567 -8.037 -3.791 1.00 0.44 H new ATOM 0 HA VAL A 67 -0.345 -6.251 -5.078 1.00 0.44 H new ATOM 0 HB VAL A 67 -0.431 -8.327 -6.441 1.00 0.46 H new ATOM 0 HG11 VAL A 67 -1.495 -10.324 -5.454 1.00 2.62 H new ATOM 0 HG12 VAL A 67 0.082 -9.972 -4.709 1.00 2.62 H new ATOM 0 HG13 VAL A 67 -1.420 -9.562 -3.847 1.00 2.62 H new ATOM 0 HG21 VAL A 67 -2.893 -8.499 -6.361 1.00 2.33 H new ATOM 0 HG22 VAL A 67 -2.896 -7.634 -4.806 1.00 2.33 H new ATOM 0 HG23 VAL A 67 -2.340 -6.810 -6.282 1.00 2.33 H new ATOM 954 N ILE A 68 -1.499 -6.154 -2.924 1.00 0.34 N ATOM 955 CA ILE A 68 -2.055 -5.966 -1.595 1.00 0.37 C ATOM 956 C ILE A 68 -3.532 -6.366 -1.603 1.00 0.42 C ATOM 957 O ILE A 68 -4.319 -5.833 -2.383 1.00 0.44 O ATOM 958 CB ILE A 68 -1.808 -4.537 -1.107 1.00 0.38 C ATOM 959 CG1 ILE A 68 -0.582 -4.474 -0.194 1.00 0.47 C ATOM 960 CG2 ILE A 68 -3.056 -3.965 -0.432 1.00 0.44 C ATOM 961 CD1 ILE A 68 0.709 -4.411 -1.014 1.00 0.50 C ATOM 0 H ILE A 68 -1.790 -5.458 -3.610 1.00 0.34 H new ATOM 0 HA ILE A 68 -1.552 -6.614 -0.877 1.00 0.37 H new ATOM 0 HB ILE A 68 -1.596 -3.911 -1.974 1.00 0.38 H new ATOM 0 HG12 ILE A 68 -0.650 -3.599 0.452 1.00 0.47 H new ATOM 0 HG13 ILE A 68 -0.562 -5.349 0.456 1.00 0.47 H new ATOM 0 HG21 ILE A 68 -2.854 -2.949 -0.094 1.00 0.44 H new ATOM 0 HG22 ILE A 68 -3.882 -3.953 -1.144 1.00 0.44 H new ATOM 0 HG23 ILE A 68 -3.323 -4.585 0.424 1.00 0.44 H new ATOM 0 HD11 ILE A 68 1.566 -4.367 -0.341 1.00 0.50 H new ATOM 0 HD12 ILE A 68 0.785 -5.299 -1.641 1.00 0.50 H new ATOM 0 HD13 ILE A 68 0.697 -3.522 -1.644 1.00 0.50 H new ATOM 973 N THR A 69 -3.864 -7.302 -0.725 1.00 0.50 N ATOM 974 CA THR A 69 -5.233 -7.779 -0.622 1.00 0.60 C ATOM 975 C THR A 69 -5.727 -7.673 0.822 1.00 0.63 C ATOM 976 O THR A 69 -5.302 -8.438 1.684 1.00 0.76 O ATOM 977 CB THR A 69 -5.279 -9.205 -1.177 1.00 0.77 C ATOM 978 OG1 THR A 69 -5.986 -9.075 -2.408 1.00 0.83 O ATOM 979 CG2 THR A 69 -6.159 -10.131 -0.337 1.00 0.90 C ATOM 0 H THR A 69 -3.209 -7.742 -0.079 1.00 0.50 H new ATOM 0 HA THR A 69 -5.913 -7.163 -1.211 1.00 0.60 H new ATOM 0 HB THR A 69 -4.268 -9.610 -1.224 1.00 0.77 H new ATOM 0 HG1 THR A 69 -6.061 -9.953 -2.837 1.00 0.83 H new ATOM 0 HG21 THR A 69 -6.157 -11.130 -0.774 1.00 0.90 H new ATOM 0 HG22 THR A 69 -5.770 -10.179 0.680 1.00 0.90 H new ATOM 0 HG23 THR A 69 -7.178 -9.745 -0.318 1.00 0.90 H new ATOM 987 N PRO A 70 -6.642 -6.692 1.044 1.00 0.55 N ATOM 988 CA PRO A 70 -7.199 -6.475 2.368 1.00 0.59 C ATOM 989 C PRO A 70 -8.224 -7.557 2.716 1.00 0.74 C ATOM 990 O PRO A 70 -9.074 -7.898 1.896 1.00 0.80 O ATOM 991 CB PRO A 70 -7.802 -5.080 2.318 1.00 0.52 C ATOM 992 CG PRO A 70 -7.972 -4.752 0.843 1.00 0.51 C ATOM 993 CD PRO A 70 -7.169 -5.766 0.045 1.00 0.51 C ATOM 0 HA PRO A 70 -6.449 -6.542 3.156 1.00 0.59 H new ATOM 0 HB2 PRO A 70 -8.760 -5.050 2.838 1.00 0.52 H new ATOM 0 HB3 PRO A 70 -7.151 -4.355 2.807 1.00 0.52 H new ATOM 0 HG2 PRO A 70 -9.024 -4.792 0.562 1.00 0.51 H new ATOM 0 HG3 PRO A 70 -7.624 -3.740 0.634 1.00 0.51 H new ATOM 0 HD2 PRO A 70 -7.795 -6.283 -0.682 1.00 0.51 H new ATOM 0 HD3 PRO A 70 -6.365 -5.285 -0.512 1.00 0.51 H new ATOM 1001 N ALA A 71 -8.109 -8.065 3.934 1.00 0.86 N ATOM 1002 CA ALA A 71 -9.015 -9.101 4.401 1.00 1.03 C ATOM 1003 C ALA A 71 -10.391 -8.489 4.665 1.00 1.08 C ATOM 1004 O ALA A 71 -11.393 -9.201 4.714 1.00 1.36 O ATOM 1005 CB ALA A 71 -8.426 -9.773 5.644 1.00 1.17 C ATOM 0 H ALA A 71 -7.402 -7.779 4.612 1.00 0.86 H new ATOM 0 HA ALA A 71 -9.139 -9.873 3.641 1.00 1.03 H new ATOM 0 HB1 ALA A 71 -9.106 -10.550 5.994 1.00 1.17 H new ATOM 0 HB2 ALA A 71 -7.463 -10.219 5.395 1.00 1.17 H new ATOM 0 HB3 ALA A 71 -8.289 -9.030 6.429 1.00 1.17 H new ATOM 1011 N SER A 72 -10.397 -7.174 4.827 1.00 0.87 N ATOM 1012 CA SER A 72 -11.634 -6.457 5.085 1.00 0.90 C ATOM 1013 C SER A 72 -11.991 -5.579 3.884 1.00 0.79 C ATOM 1014 O SER A 72 -11.109 -5.148 3.143 1.00 0.66 O ATOM 1015 CB SER A 72 -11.523 -5.604 6.351 1.00 0.95 C ATOM 1016 OG SER A 72 -12.749 -5.562 7.075 1.00 1.01 O ATOM 0 H SER A 72 -9.564 -6.586 4.785 1.00 0.87 H new ATOM 0 HA SER A 72 -12.427 -7.189 5.240 1.00 0.90 H new ATOM 0 HB2 SER A 72 -10.737 -6.006 6.991 1.00 0.95 H new ATOM 0 HB3 SER A 72 -11.227 -4.591 6.081 1.00 0.95 H new ATOM 0 HG SER A 72 -12.637 -5.010 7.877 1.00 1.01 H new ATOM 1022 N PRO A 73 -13.319 -5.336 3.725 1.00 0.87 N ATOM 1023 CA PRO A 73 -13.803 -4.518 2.626 1.00 0.82 C ATOM 1024 C PRO A 73 -13.527 -3.035 2.883 1.00 0.71 C ATOM 1025 O PRO A 73 -13.720 -2.547 3.995 1.00 0.86 O ATOM 1026 CB PRO A 73 -15.286 -4.836 2.522 1.00 0.99 C ATOM 1027 CG PRO A 73 -15.672 -5.461 3.853 1.00 1.12 C ATOM 1028 CD PRO A 73 -14.391 -5.830 4.584 1.00 1.06 C ATOM 0 HA PRO A 73 -13.296 -4.734 1.686 1.00 0.82 H new ATOM 0 HB2 PRO A 73 -15.867 -3.933 2.331 1.00 0.99 H new ATOM 0 HB3 PRO A 73 -15.482 -5.521 1.697 1.00 0.99 H new ATOM 0 HG2 PRO A 73 -16.262 -4.762 4.446 1.00 1.12 H new ATOM 0 HG3 PRO A 73 -16.289 -6.345 3.695 1.00 1.12 H new ATOM 0 HD2 PRO A 73 -14.352 -5.369 5.571 1.00 1.06 H new ATOM 0 HD3 PRO A 73 -14.316 -6.907 4.732 1.00 1.06 H new ATOM 1036 N LEU A 74 -13.078 -2.359 1.835 1.00 0.54 N ATOM 1037 CA LEU A 74 -12.772 -0.942 1.933 1.00 0.47 C ATOM 1038 C LEU A 74 -14.035 -0.130 1.634 1.00 0.47 C ATOM 1039 O LEU A 74 -14.575 -0.200 0.531 1.00 0.56 O ATOM 1040 CB LEU A 74 -11.586 -0.586 1.036 1.00 0.53 C ATOM 1041 CG LEU A 74 -10.295 -1.369 1.289 1.00 0.55 C ATOM 1042 CD1 LEU A 74 -9.330 -1.230 0.110 1.00 0.67 C ATOM 1043 CD2 LEU A 74 -9.649 -0.949 2.611 1.00 0.50 C ATOM 0 H LEU A 74 -12.919 -2.767 0.914 1.00 0.54 H new ATOM 0 HA LEU A 74 -12.462 -0.689 2.947 1.00 0.47 H new ATOM 0 HB2 LEU A 74 -11.882 -0.738 -0.002 1.00 0.53 H new ATOM 0 HB3 LEU A 74 -11.372 0.476 1.154 1.00 0.53 H new ATOM 0 HG LEU A 74 -10.548 -2.426 1.376 1.00 0.55 H new ATOM 0 HD11 LEU A 74 -8.421 -1.796 0.315 1.00 0.67 H new ATOM 0 HD12 LEU A 74 -9.802 -1.616 -0.794 1.00 0.67 H new ATOM 0 HD13 LEU A 74 -9.079 -0.179 -0.033 1.00 0.67 H new ATOM 0 HD21 LEU A 74 -8.734 -1.520 2.766 1.00 0.50 H new ATOM 0 HD22 LEU A 74 -9.412 0.114 2.578 1.00 0.50 H new ATOM 0 HD23 LEU A 74 -10.341 -1.141 3.431 1.00 0.50 H new ATOM 1055 N THR A 75 -14.468 0.621 2.636 1.00 0.44 N ATOM 1056 CA THR A 75 -15.657 1.444 2.493 1.00 0.49 C ATOM 1057 C THR A 75 -15.272 2.872 2.100 1.00 0.50 C ATOM 1058 O THR A 75 -14.103 3.246 2.176 1.00 0.50 O ATOM 1059 CB THR A 75 -16.446 1.366 3.802 1.00 0.56 C ATOM 1060 OG1 THR A 75 -15.747 2.243 4.681 1.00 0.75 O ATOM 1061 CG2 THR A 75 -16.331 -0.004 4.475 1.00 0.68 C ATOM 0 H THR A 75 -14.017 0.677 3.549 1.00 0.44 H new ATOM 0 HA THR A 75 -16.296 1.080 1.689 1.00 0.49 H new ATOM 0 HB THR A 75 -17.495 1.588 3.607 1.00 0.56 H new ATOM 0 HG1 THR A 75 -16.192 2.254 5.554 1.00 0.75 H new ATOM 0 HG21 THR A 75 -16.909 -0.005 5.399 1.00 0.68 H new ATOM 0 HG22 THR A 75 -16.717 -0.772 3.805 1.00 0.68 H new ATOM 0 HG23 THR A 75 -15.285 -0.212 4.701 1.00 0.68 H new ATOM 1069 N ALA A 76 -16.279 3.629 1.688 1.00 0.57 N ATOM 1070 CA ALA A 76 -16.061 5.008 1.283 1.00 0.62 C ATOM 1071 C ALA A 76 -15.179 5.706 2.319 1.00 0.61 C ATOM 1072 O ALA A 76 -14.931 5.164 3.395 1.00 0.71 O ATOM 1073 CB ALA A 76 -17.410 5.705 1.099 1.00 0.73 C ATOM 0 H ALA A 76 -17.247 3.314 1.626 1.00 0.57 H new ATOM 0 HA ALA A 76 -15.540 5.050 0.326 1.00 0.62 H new ATOM 0 HB1 ALA A 76 -17.247 6.739 0.795 1.00 0.73 H new ATOM 0 HB2 ALA A 76 -17.985 5.188 0.331 1.00 0.73 H new ATOM 0 HB3 ALA A 76 -17.961 5.686 2.039 1.00 0.73 H new ATOM 1079 N GLY A 77 -14.729 6.898 1.958 1.00 0.58 N ATOM 1080 CA GLY A 77 -13.880 7.678 2.844 1.00 0.59 C ATOM 1081 C GLY A 77 -12.498 7.897 2.226 1.00 0.53 C ATOM 1082 O GLY A 77 -12.343 7.843 1.006 1.00 0.55 O ATOM 0 H GLY A 77 -14.936 7.344 1.064 1.00 0.58 H new ATOM 0 HA2 GLY A 77 -14.348 8.641 3.047 1.00 0.59 H new ATOM 0 HA3 GLY A 77 -13.778 7.165 3.800 1.00 0.59 H new ATOM 1086 N THR A 78 -11.528 8.140 3.095 1.00 0.55 N ATOM 1087 CA THR A 78 -10.164 8.369 2.649 1.00 0.52 C ATOM 1088 C THR A 78 -9.196 7.459 3.409 1.00 0.47 C ATOM 1089 O THR A 78 -9.360 7.234 4.607 1.00 0.49 O ATOM 1090 CB THR A 78 -9.855 9.857 2.815 1.00 0.57 C ATOM 1091 OG1 THR A 78 -10.785 10.504 1.951 1.00 0.67 O ATOM 1092 CG2 THR A 78 -8.488 10.239 2.244 1.00 0.73 C ATOM 0 H THR A 78 -11.659 8.183 4.106 1.00 0.55 H new ATOM 0 HA THR A 78 -10.044 8.114 1.596 1.00 0.52 H new ATOM 0 HB THR A 78 -9.893 10.119 3.872 1.00 0.57 H new ATOM 0 HG1 THR A 78 -10.655 11.474 1.998 1.00 0.67 H new ATOM 0 HG21 THR A 78 -8.319 11.306 2.388 1.00 0.73 H new ATOM 0 HG22 THR A 78 -7.709 9.676 2.757 1.00 0.73 H new ATOM 0 HG23 THR A 78 -8.461 10.008 1.179 1.00 0.73 H new ATOM 1100 N TYR A 79 -8.207 6.961 2.680 1.00 0.46 N ATOM 1101 CA TYR A 79 -7.213 6.080 3.270 1.00 0.43 C ATOM 1102 C TYR A 79 -5.824 6.356 2.690 1.00 0.44 C ATOM 1103 O TYR A 79 -5.700 6.990 1.643 1.00 0.43 O ATOM 1104 CB TYR A 79 -7.635 4.659 2.897 1.00 0.45 C ATOM 1105 CG TYR A 79 -9.075 4.314 3.284 1.00 0.45 C ATOM 1106 CD1 TYR A 79 -10.128 4.870 2.586 1.00 1.99 C ATOM 1107 CD2 TYR A 79 -9.320 3.449 4.331 1.00 1.68 C ATOM 1108 CE1 TYR A 79 -11.483 4.547 2.951 1.00 2.02 C ATOM 1109 CE2 TYR A 79 -10.675 3.126 4.696 1.00 1.69 C ATOM 1110 CZ TYR A 79 -11.690 3.691 3.988 1.00 0.54 C ATOM 1111 OH TYR A 79 -12.970 3.385 4.332 1.00 0.62 O ATOM 0 H TYR A 79 -8.073 7.151 1.687 1.00 0.46 H new ATOM 0 HA TYR A 79 -7.158 6.230 4.348 1.00 0.43 H new ATOM 0 HB2 TYR A 79 -7.517 4.527 1.821 1.00 0.45 H new ATOM 0 HB3 TYR A 79 -6.961 3.952 3.381 1.00 0.45 H new ATOM 0 HD1 TYR A 79 -9.936 5.547 1.767 1.00 1.99 H new ATOM 0 HD2 TYR A 79 -8.496 3.014 4.877 1.00 1.68 H new ATOM 0 HE1 TYR A 79 -12.316 4.975 2.414 1.00 2.02 H new ATOM 0 HE2 TYR A 79 -10.881 2.451 5.513 1.00 1.69 H new ATOM 0 HH TYR A 79 -13.590 3.837 3.722 1.00 0.62 H new ATOM 1121 N LYS A 80 -4.816 5.866 3.395 1.00 0.50 N ATOM 1122 CA LYS A 80 -3.441 6.051 2.963 1.00 0.54 C ATOM 1123 C LYS A 80 -2.687 4.726 3.093 1.00 0.52 C ATOM 1124 O LYS A 80 -2.509 4.214 4.197 1.00 0.51 O ATOM 1125 CB LYS A 80 -2.790 7.206 3.728 1.00 0.59 C ATOM 1126 CG LYS A 80 -2.655 8.445 2.840 1.00 1.87 C ATOM 1127 CD LYS A 80 -3.347 9.652 3.474 1.00 3.60 C ATOM 1128 CE LYS A 80 -2.618 10.950 3.121 1.00 4.00 C ATOM 1129 NZ LYS A 80 -3.578 12.070 3.008 1.00 5.29 N ATOM 0 H LYS A 80 -4.923 5.341 4.263 1.00 0.50 H new ATOM 0 HA LYS A 80 -3.407 6.336 1.911 1.00 0.54 H new ATOM 0 HB2 LYS A 80 -3.388 7.447 4.607 1.00 0.59 H new ATOM 0 HB3 LYS A 80 -1.806 6.901 4.085 1.00 0.59 H new ATOM 0 HG2 LYS A 80 -1.600 8.669 2.680 1.00 1.87 H new ATOM 0 HG3 LYS A 80 -3.091 8.244 1.861 1.00 1.87 H new ATOM 0 HD2 LYS A 80 -4.380 9.706 3.130 1.00 3.60 H new ATOM 0 HD3 LYS A 80 -3.378 9.531 4.557 1.00 3.60 H new ATOM 0 HE2 LYS A 80 -1.875 11.176 3.886 1.00 4.00 H new ATOM 0 HE3 LYS A 80 -2.081 10.828 2.181 1.00 4.00 H new ATOM 0 HZ1 LYS A 80 -3.066 12.943 2.768 1.00 5.29 H new ATOM 0 HZ2 LYS A 80 -4.271 11.859 2.262 1.00 5.29 H new ATOM 0 HZ3 LYS A 80 -4.072 12.196 3.914 1.00 5.29 H new ATOM 1143 N VAL A 81 -2.264 4.209 1.949 1.00 0.54 N ATOM 1144 CA VAL A 81 -1.533 2.953 1.921 1.00 0.53 C ATOM 1145 C VAL A 81 -0.033 3.239 2.016 1.00 0.55 C ATOM 1146 O VAL A 81 0.583 3.672 1.044 1.00 0.59 O ATOM 1147 CB VAL A 81 -1.911 2.155 0.671 1.00 0.54 C ATOM 1148 CG1 VAL A 81 -1.257 0.773 0.684 1.00 0.56 C ATOM 1149 CG2 VAL A 81 -3.431 2.042 0.532 1.00 0.66 C ATOM 0 H VAL A 81 -2.413 4.636 1.035 1.00 0.54 H new ATOM 0 HA VAL A 81 -1.802 2.336 2.778 1.00 0.53 H new ATOM 0 HB VAL A 81 -1.534 2.695 -0.198 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -1.542 0.227 -0.215 1.00 0.56 H new ATOM 0 HG12 VAL A 81 -0.173 0.884 0.713 1.00 0.56 H new ATOM 0 HG13 VAL A 81 -1.589 0.222 1.564 1.00 0.56 H new ATOM 0 HG21 VAL A 81 -3.673 1.470 -0.364 1.00 0.66 H new ATOM 0 HG22 VAL A 81 -3.840 1.536 1.407 1.00 0.66 H new ATOM 0 HG23 VAL A 81 -3.864 3.039 0.454 1.00 0.66 H new ATOM 1159 N ASP A 82 0.511 2.983 3.197 1.00 0.62 N ATOM 1160 CA ASP A 82 1.927 3.208 3.432 1.00 0.65 C ATOM 1161 C ASP A 82 2.680 1.883 3.290 1.00 0.71 C ATOM 1162 O ASP A 82 2.543 0.994 4.130 1.00 0.96 O ATOM 1163 CB ASP A 82 2.173 3.742 4.845 1.00 0.82 C ATOM 1164 CG ASP A 82 1.363 4.985 5.216 1.00 0.99 C ATOM 1165 OD1 ASP A 82 1.539 6.062 4.627 1.00 2.09 O ATOM 1166 OD2 ASP A 82 0.508 4.814 6.166 1.00 1.38 O ATOM 0 H ASP A 82 -0.003 2.622 4.001 1.00 0.62 H new ATOM 0 HA ASP A 82 2.278 3.939 2.704 1.00 0.65 H new ATOM 0 HB2 ASP A 82 1.946 2.952 5.561 1.00 0.82 H new ATOM 0 HB3 ASP A 82 3.233 3.973 4.951 1.00 0.82 H new ATOM 1171 N TRP A 83 3.458 1.792 2.222 1.00 0.56 N ATOM 1172 CA TRP A 83 4.231 0.591 1.959 1.00 0.66 C ATOM 1173 C TRP A 83 5.696 0.892 2.284 1.00 0.69 C ATOM 1174 O TRP A 83 6.117 2.047 2.254 1.00 0.59 O ATOM 1175 CB TRP A 83 4.024 0.108 0.522 1.00 0.64 C ATOM 1176 CG TRP A 83 4.284 1.181 -0.538 1.00 0.53 C ATOM 1177 CD1 TRP A 83 3.388 1.962 -1.158 1.00 0.51 C ATOM 1178 CD2 TRP A 83 5.565 1.562 -1.080 1.00 0.54 C ATOM 1179 NE1 TRP A 83 3.996 2.814 -2.056 1.00 0.50 N ATOM 1180 CE2 TRP A 83 5.363 2.563 -2.008 1.00 0.55 C ATOM 1181 CE3 TRP A 83 6.854 1.076 -0.798 1.00 0.61 C ATOM 1182 CZ2 TRP A 83 6.403 3.164 -2.728 1.00 0.68 C ATOM 1183 CZ3 TRP A 83 7.882 1.685 -1.525 1.00 0.73 C ATOM 1184 CH2 TRP A 83 7.695 2.695 -2.462 1.00 0.78 C ATOM 0 H TRP A 83 3.570 2.531 1.528 1.00 0.56 H new ATOM 0 HA TRP A 83 3.895 -0.230 2.592 1.00 0.66 H new ATOM 0 HB2 TRP A 83 4.683 -0.740 0.336 1.00 0.64 H new ATOM 0 HB3 TRP A 83 3.001 -0.254 0.415 1.00 0.64 H new ATOM 0 HD1 TRP A 83 2.324 1.928 -0.977 1.00 0.51 H new ATOM 0 HE1 TRP A 83 3.529 3.502 -2.647 1.00 0.50 H new ATOM 0 HE3 TRP A 83 7.036 0.293 -0.076 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 6.218 3.947 -3.449 1.00 0.68 H new ATOM 0 HZ3 TRP A 83 8.892 1.347 -1.346 1.00 0.73 H new ATOM 0 HH2 TRP A 83 8.543 3.116 -2.982 1.00 0.78 H new ATOM 1195 N ARG A 84 6.432 -0.168 2.584 1.00 0.87 N ATOM 1196 CA ARG A 84 7.841 -0.032 2.913 1.00 0.93 C ATOM 1197 C ARG A 84 8.647 -1.163 2.273 1.00 1.00 C ATOM 1198 O ARG A 84 8.311 -2.336 2.429 1.00 1.05 O ATOM 1199 CB ARG A 84 8.057 -0.055 4.427 1.00 1.01 C ATOM 1200 CG ARG A 84 8.472 1.325 4.943 1.00 1.06 C ATOM 1201 CD ARG A 84 8.108 1.490 6.420 1.00 1.61 C ATOM 1202 NE ARG A 84 7.195 2.641 6.591 1.00 1.90 N ATOM 1203 CZ ARG A 84 6.907 3.209 7.782 1.00 2.74 C ATOM 1204 NH1 ARG A 84 7.459 2.733 8.919 1.00 3.38 N ATOM 1205 NH2 ARG A 84 6.076 4.234 7.819 1.00 3.76 N ATOM 0 H ARG A 84 6.079 -1.125 2.606 1.00 0.87 H new ATOM 0 HA ARG A 84 8.182 0.927 2.523 1.00 0.93 H new ATOM 0 HB2 ARG A 84 7.140 -0.372 4.924 1.00 1.01 H new ATOM 0 HB3 ARG A 84 8.825 -0.787 4.677 1.00 1.01 H new ATOM 0 HG2 ARG A 84 9.546 1.458 4.812 1.00 1.06 H new ATOM 0 HG3 ARG A 84 7.981 2.100 4.355 1.00 1.06 H new ATOM 0 HD2 ARG A 84 7.634 0.581 6.790 1.00 1.61 H new ATOM 0 HD3 ARG A 84 9.011 1.641 7.011 1.00 1.61 H new ATOM 0 HE ARG A 84 6.755 3.030 5.757 1.00 1.90 H new ATOM 0 HH11 ARG A 84 8.098 1.939 8.882 1.00 3.38 H new ATOM 0 HH12 ARG A 84 7.237 3.167 9.815 1.00 3.38 H new ATOM 0 HH21 ARG A 84 5.662 4.586 6.956 1.00 3.76 H new ATOM 0 HH22 ARG A 84 5.848 4.674 8.711 1.00 3.76 H new ATOM 1324 N ILE A 93 13.449 1.871 2.687 1.00 1.28 N ATOM 1325 CA ILE A 93 12.638 2.565 1.701 1.00 1.11 C ATOM 1326 C ILE A 93 11.181 2.581 2.167 1.00 1.06 C ATOM 1327 O ILE A 93 10.683 1.588 2.696 1.00 1.67 O ATOM 1328 CB ILE A 93 12.835 1.948 0.316 1.00 1.30 C ATOM 1329 CG1 ILE A 93 14.305 2.000 -0.104 1.00 1.82 C ATOM 1330 CG2 ILE A 93 11.920 2.614 -0.716 1.00 1.50 C ATOM 1331 CD1 ILE A 93 14.739 3.436 -0.405 1.00 2.74 C ATOM 0 HA ILE A 93 12.955 3.604 1.609 1.00 1.11 H new ATOM 0 HB ILE A 93 12.552 0.897 0.367 1.00 1.30 H new ATOM 0 HG12 ILE A 93 14.928 1.587 0.689 1.00 1.82 H new ATOM 0 HG13 ILE A 93 14.457 1.378 -0.986 1.00 1.82 H new ATOM 0 HG21 ILE A 93 12.080 2.157 -1.693 1.00 1.50 H new ATOM 0 HG22 ILE A 93 10.880 2.481 -0.419 1.00 1.50 H new ATOM 0 HG23 ILE A 93 12.149 3.678 -0.772 1.00 1.50 H new ATOM 0 HD11 ILE A 93 15.788 3.445 -0.701 1.00 2.74 H new ATOM 0 HD12 ILE A 93 14.130 3.838 -1.215 1.00 2.74 H new ATOM 0 HD13 ILE A 93 14.609 4.050 0.486 1.00 2.74 H new ATOM 1343 N THR A 94 10.537 3.719 1.953 1.00 0.55 N ATOM 1344 CA THR A 94 9.146 3.878 2.344 1.00 0.51 C ATOM 1345 C THR A 94 8.330 4.458 1.187 1.00 0.50 C ATOM 1346 O THR A 94 8.893 4.918 0.195 1.00 0.85 O ATOM 1347 CB THR A 94 9.105 4.737 3.609 1.00 0.64 C ATOM 1348 OG1 THR A 94 9.729 5.957 3.219 1.00 0.71 O ATOM 1349 CG2 THR A 94 10.010 4.194 4.716 1.00 0.85 C ATOM 0 H THR A 94 10.953 4.540 1.514 1.00 0.55 H new ATOM 0 HA THR A 94 8.687 2.916 2.573 1.00 0.51 H new ATOM 0 HB THR A 94 8.080 4.796 3.975 1.00 0.64 H new ATOM 0 HG1 THR A 94 9.744 6.575 3.980 1.00 0.71 H new ATOM 0 HG21 THR A 94 9.943 4.841 5.591 1.00 0.85 H new ATOM 0 HG22 THR A 94 9.692 3.187 4.985 1.00 0.85 H new ATOM 0 HG23 THR A 94 11.041 4.167 4.363 1.00 0.85 H new ATOM 1357 N GLY A 95 7.017 4.420 1.354 1.00 0.45 N ATOM 1358 CA GLY A 95 6.117 4.937 0.337 1.00 0.41 C ATOM 1359 C GLY A 95 4.686 5.038 0.870 1.00 0.43 C ATOM 1360 O GLY A 95 4.341 4.393 1.858 1.00 0.70 O ATOM 0 H GLY A 95 6.554 4.039 2.179 1.00 0.45 H new ATOM 0 HA2 GLY A 95 6.457 5.920 0.011 1.00 0.41 H new ATOM 0 HA3 GLY A 95 6.138 4.286 -0.537 1.00 0.41 H new ATOM 1364 N SER A 96 3.892 5.851 0.190 1.00 0.42 N ATOM 1365 CA SER A 96 2.506 6.045 0.582 1.00 0.54 C ATOM 1366 C SER A 96 1.635 6.250 -0.659 1.00 0.42 C ATOM 1367 O SER A 96 2.106 6.756 -1.676 1.00 0.54 O ATOM 1368 CB SER A 96 2.364 7.234 1.534 1.00 0.91 C ATOM 1369 OG SER A 96 3.597 7.561 2.168 1.00 1.04 O ATOM 0 H SER A 96 4.182 6.383 -0.630 1.00 0.42 H new ATOM 0 HA SER A 96 2.171 5.151 1.109 1.00 0.54 H new ATOM 0 HB2 SER A 96 2.000 8.100 0.981 1.00 0.91 H new ATOM 0 HB3 SER A 96 1.616 7.003 2.293 1.00 0.91 H new ATOM 0 HG SER A 96 3.464 8.326 2.766 1.00 1.04 H new ATOM 1375 N VAL A 97 0.379 5.846 -0.534 1.00 0.45 N ATOM 1376 CA VAL A 97 -0.563 5.979 -1.632 1.00 0.34 C ATOM 1377 C VAL A 97 -1.939 6.347 -1.076 1.00 0.36 C ATOM 1378 O VAL A 97 -2.668 5.484 -0.590 1.00 0.38 O ATOM 1379 CB VAL A 97 -0.579 4.696 -2.466 1.00 0.33 C ATOM 1380 CG1 VAL A 97 -1.141 4.959 -3.865 1.00 0.45 C ATOM 1381 CG2 VAL A 97 0.817 4.076 -2.545 1.00 0.61 C ATOM 0 H VAL A 97 -0.008 5.426 0.311 1.00 0.45 H new ATOM 0 HA VAL A 97 -0.258 6.783 -2.302 1.00 0.34 H new ATOM 0 HB VAL A 97 -1.235 3.982 -1.969 1.00 0.33 H new ATOM 0 HG11 VAL A 97 -1.141 4.031 -4.437 1.00 0.45 H new ATOM 0 HG12 VAL A 97 -2.161 5.335 -3.783 1.00 0.45 H new ATOM 0 HG13 VAL A 97 -0.522 5.698 -4.373 1.00 0.45 H new ATOM 0 HG21 VAL A 97 0.777 3.166 -3.143 1.00 0.61 H new ATOM 0 HG22 VAL A 97 1.504 4.785 -3.007 1.00 0.61 H new ATOM 0 HG23 VAL A 97 1.166 3.835 -1.541 1.00 0.61 H new ATOM 1391 N THR A 98 -2.255 7.631 -1.168 1.00 0.39 N ATOM 1392 CA THR A 98 -3.532 8.125 -0.680 1.00 0.44 C ATOM 1393 C THR A 98 -4.608 7.971 -1.755 1.00 0.39 C ATOM 1394 O THR A 98 -4.362 8.240 -2.929 1.00 0.39 O ATOM 1395 CB THR A 98 -3.335 9.570 -0.218 1.00 0.54 C ATOM 1396 OG1 THR A 98 -4.519 9.864 0.517 1.00 0.64 O ATOM 1397 CG2 THR A 98 -3.362 10.565 -1.382 1.00 0.57 C ATOM 0 H THR A 98 -1.649 8.344 -1.573 1.00 0.39 H new ATOM 0 HA THR A 98 -3.883 7.542 0.172 1.00 0.44 H new ATOM 0 HB THR A 98 -2.386 9.656 0.312 1.00 0.54 H new ATOM 0 HG1 THR A 98 -4.632 10.835 0.581 1.00 0.64 H new ATOM 0 HG21 THR A 98 -3.218 11.576 -1.000 1.00 0.57 H new ATOM 0 HG22 THR A 98 -2.564 10.325 -2.084 1.00 0.57 H new ATOM 0 HG23 THR A 98 -4.324 10.503 -1.891 1.00 0.57 H new ATOM 1405 N PHE A 99 -5.782 7.538 -1.315 1.00 0.38 N ATOM 1406 CA PHE A 99 -6.897 7.345 -2.225 1.00 0.35 C ATOM 1407 C PHE A 99 -8.233 7.529 -1.502 1.00 0.36 C ATOM 1408 O PHE A 99 -8.324 7.311 -0.294 1.00 0.37 O ATOM 1409 CB PHE A 99 -6.806 5.910 -2.747 1.00 0.32 C ATOM 1410 CG PHE A 99 -7.172 4.847 -1.710 1.00 0.31 C ATOM 1411 CD1 PHE A 99 -8.462 4.714 -1.299 1.00 1.63 C ATOM 1412 CD2 PHE A 99 -6.209 4.034 -1.199 1.00 1.76 C ATOM 1413 CE1 PHE A 99 -8.802 3.727 -0.336 1.00 1.61 C ATOM 1414 CE2 PHE A 99 -6.549 3.046 -0.237 1.00 1.79 C ATOM 1415 CZ PHE A 99 -7.838 2.914 0.175 1.00 0.36 C ATOM 0 H PHE A 99 -5.984 7.316 -0.340 1.00 0.38 H new ATOM 0 HA PHE A 99 -6.848 8.075 -3.033 1.00 0.35 H new ATOM 0 HB2 PHE A 99 -7.466 5.805 -3.608 1.00 0.32 H new ATOM 0 HB3 PHE A 99 -5.791 5.726 -3.099 1.00 0.32 H new ATOM 0 HD1 PHE A 99 -9.227 5.359 -1.705 1.00 1.63 H new ATOM 0 HD2 PHE A 99 -5.185 4.140 -1.525 1.00 1.76 H new ATOM 0 HE1 PHE A 99 -9.826 3.622 -0.009 1.00 1.61 H new ATOM 0 HE2 PHE A 99 -5.784 2.400 0.167 1.00 1.79 H new ATOM 0 HZ PHE A 99 -8.097 2.164 0.908 1.00 0.36 H new ATOM 1425 N LYS A 100 -9.236 7.928 -2.270 1.00 0.40 N ATOM 1426 CA LYS A 100 -10.563 8.143 -1.718 1.00 0.43 C ATOM 1427 C LYS A 100 -11.490 7.016 -2.178 1.00 0.43 C ATOM 1428 O LYS A 100 -11.188 6.312 -3.139 1.00 0.44 O ATOM 1429 CB LYS A 100 -11.071 9.541 -2.074 1.00 0.50 C ATOM 1430 CG LYS A 100 -10.320 10.615 -1.283 1.00 0.53 C ATOM 1431 CD LYS A 100 -10.846 12.012 -1.619 1.00 1.30 C ATOM 1432 CE LYS A 100 -12.214 12.252 -0.978 1.00 2.44 C ATOM 1433 NZ LYS A 100 -12.518 13.699 -0.931 1.00 2.81 N ATOM 0 H LYS A 100 -9.156 8.108 -3.271 1.00 0.40 H new ATOM 0 HA LYS A 100 -10.533 8.108 -0.629 1.00 0.43 H new ATOM 0 HB2 LYS A 100 -10.945 9.716 -3.142 1.00 0.50 H new ATOM 0 HB3 LYS A 100 -12.138 9.609 -1.863 1.00 0.50 H new ATOM 0 HG2 LYS A 100 -10.430 10.428 -0.215 1.00 0.53 H new ATOM 0 HG3 LYS A 100 -9.255 10.560 -1.508 1.00 0.53 H new ATOM 0 HD2 LYS A 100 -10.139 12.764 -1.269 1.00 1.30 H new ATOM 0 HD3 LYS A 100 -10.922 12.125 -2.700 1.00 1.30 H new ATOM 0 HE2 LYS A 100 -12.985 11.731 -1.546 1.00 2.44 H new ATOM 0 HE3 LYS A 100 -12.227 11.839 0.031 1.00 2.44 H new ATOM 0 HZ1 LYS A 100 -13.450 13.844 -0.493 1.00 2.81 H new ATOM 0 HZ2 LYS A 100 -11.792 14.188 -0.370 1.00 2.81 H new ATOM 0 HZ3 LYS A 100 -12.526 14.084 -1.897 1.00 2.81 H new ATOM 1447 N VAL A 101 -12.600 6.881 -1.468 1.00 0.45 N ATOM 1448 CA VAL A 101 -13.574 5.852 -1.790 1.00 0.48 C ATOM 1449 C VAL A 101 -14.983 6.446 -1.711 1.00 0.57 C ATOM 1450 O VAL A 101 -15.393 6.943 -0.664 1.00 0.58 O ATOM 1451 CB VAL A 101 -13.383 4.644 -0.871 1.00 0.43 C ATOM 1452 CG1 VAL A 101 -14.425 3.562 -1.165 1.00 0.55 C ATOM 1453 CG2 VAL A 101 -11.964 4.085 -0.989 1.00 0.41 C ATOM 0 H VAL A 101 -12.847 7.467 -0.671 1.00 0.45 H new ATOM 0 HA VAL A 101 -13.428 5.495 -2.809 1.00 0.48 H new ATOM 0 HB VAL A 101 -13.527 4.978 0.157 1.00 0.43 H new ATOM 0 HG11 VAL A 101 -14.267 2.714 -0.498 1.00 0.55 H new ATOM 0 HG12 VAL A 101 -15.425 3.967 -1.007 1.00 0.55 H new ATOM 0 HG13 VAL A 101 -14.326 3.233 -2.200 1.00 0.55 H new ATOM 0 HG21 VAL A 101 -11.855 3.227 -0.326 1.00 0.41 H new ATOM 0 HG22 VAL A 101 -11.780 3.774 -2.017 1.00 0.41 H new ATOM 0 HG23 VAL A 101 -11.245 4.855 -0.708 1.00 0.41 H new ATOM 1463 N LYS A 102 -15.684 6.375 -2.833 1.00 0.66 N ATOM 1464 CA LYS A 102 -17.037 6.899 -2.904 1.00 0.76 C ATOM 1465 C LYS A 102 -18.006 5.757 -3.217 1.00 0.92 C ATOM 1466 O LYS A 102 -18.586 5.164 -2.309 1.00 1.53 O ATOM 1467 CB LYS A 102 -17.111 8.058 -3.900 1.00 0.76 C ATOM 1468 CG LYS A 102 -16.129 9.170 -3.522 1.00 0.68 C ATOM 1469 CD LYS A 102 -16.872 10.408 -3.015 1.00 0.96 C ATOM 1470 CE LYS A 102 -16.177 11.000 -1.788 1.00 1.77 C ATOM 1471 NZ LYS A 102 -17.036 12.022 -1.149 1.00 2.43 N ATOM 1472 OXT LYS A 102 -18.463 5.061 -2.313 1.00 1.06 O ATOM 0 H LYS A 102 -15.340 5.962 -3.700 1.00 0.66 H new ATOM 0 HA LYS A 102 -17.335 7.316 -1.942 1.00 0.76 H new ATOM 0 HB2 LYS A 102 -16.886 7.695 -4.903 1.00 0.76 H new ATOM 0 HB3 LYS A 102 -18.125 8.457 -3.925 1.00 0.76 H new ATOM 0 HG2 LYS A 102 -15.446 8.811 -2.752 1.00 0.68 H new ATOM 0 HG3 LYS A 102 -15.523 9.435 -4.388 1.00 0.68 H new ATOM 0 HD2 LYS A 102 -16.921 11.156 -3.806 1.00 0.96 H new ATOM 0 HD3 LYS A 102 -17.899 10.143 -2.763 1.00 0.96 H new ATOM 0 HE2 LYS A 102 -15.951 10.208 -1.074 1.00 1.77 H new ATOM 0 HE3 LYS A 102 -15.227 11.446 -2.081 1.00 1.77 H new ATOM 0 HZ1 LYS A 102 -16.549 12.414 -0.318 1.00 2.43 H new ATOM 0 HZ2 LYS A 102 -17.231 12.785 -1.828 1.00 2.43 H new ATOM 0 HZ3 LYS A 102 -17.932 11.586 -0.852 1.00 2.43 H new