USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 602 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 26 THR OG1 : rot 152:sc= 0.223 USER MOD Set 1.2: A 62 THR OG1 : rot -37:sc= 2.02 USER MOD Set 2.1: A 5 THR OG1 : rot -78:sc= 1.63 USER MOD Set 2.2: A 8 GLN : amide:sc= 1.83 K(o=3.5,f=-0.87!) USER MOD Set 3.1: A 1 ARG N :NH3+ -177:sc= 1.76 (180deg=1.74) USER MOD Set 3.2: A 9 LYS NZ :NH3+ -172:sc= 0.212 (180deg=0.0537) USER MOD Single : A 10 GLN : amide:sc= 0.282 K(o=0.28,f=-0.33) USER MOD Single : A 21 THR OG1 : rot -14:sc= 1.04 USER MOD Single : A 24 SER OG : rot -51:sc= 1.19 USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= -0.0938 (180deg=-0.575) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -174:sc= -1.53 (180deg=-1.72) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0303) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.129) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= -0.0396 (180deg=-0.0427) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 76:sc= 1.17 USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= 0.989 (180deg=0.78) USER MOD Single : A 60 SER OG : rot 70:sc= 1.11 USER MOD Single : A 70 THR OG1 : rot 76:sc= 1.1 USER MOD Single : A 71 MET CE :methyl -167:sc= -0.0283 (180deg=-0.252) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 81:sc= 1.15 USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= -0.0125 (180deg=-0.0805) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 16.985 20.771 -7.798 1.00 0.00 N ATOM 2 CA ARG A 1 17.409 20.179 -6.514 1.00 0.00 C ATOM 3 C ARG A 1 16.235 19.897 -5.571 1.00 0.00 C ATOM 4 O ARG A 1 16.380 19.142 -4.612 1.00 0.00 O ATOM 5 CB ARG A 1 18.484 21.042 -5.839 1.00 0.00 C ATOM 6 CG ARG A 1 17.975 22.442 -5.457 1.00 0.00 C ATOM 7 CD ARG A 1 19.123 23.318 -4.951 1.00 0.00 C ATOM 8 NE ARG A 1 20.089 23.588 -6.023 1.00 0.00 N ATOM 9 CZ ARG A 1 21.206 24.311 -5.891 1.00 0.00 C ATOM 10 NH1 ARG A 1 21.522 24.870 -4.718 1.00 0.00 N ATOM 11 NH2 ARG A 1 22.001 24.462 -6.953 1.00 0.00 N ATOM 0 H1 ARG A 1 17.814 20.893 -8.415 1.00 0.00 H new ATOM 0 H2 ARG A 1 16.299 20.141 -8.261 1.00 0.00 H new ATOM 0 H3 ARG A 1 16.543 21.696 -7.625 1.00 0.00 H new ATOM 0 HA ARG A 1 17.849 19.209 -6.745 1.00 0.00 H new ATOM 0 HB2 ARG A 1 18.841 20.534 -4.943 1.00 0.00 H new ATOM 0 HB3 ARG A 1 19.337 21.142 -6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 1 17.507 22.912 -6.322 1.00 0.00 H new ATOM 0 HG3 ARG A 1 17.209 22.358 -4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 1 18.726 24.258 -4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 1 19.625 22.822 -4.120 1.00 0.00 H new ATOM 0 HE ARG A 1 19.892 23.192 -6.942 1.00 0.00 H new ATOM 0 HH11 ARG A 1 20.908 24.747 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 1 22.377 25.420 -4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 1 21.751 24.030 -7.843 1.00 0.00 H new ATOM 0 HH22 ARG A 1 22.858 25.010 -6.875 1.00 0.00 H new ATOM 25 N VAL A 2 15.064 20.485 -5.837 1.00 0.00 N ATOM 26 CA VAL A 2 13.855 20.285 -5.045 1.00 0.00 C ATOM 27 C VAL A 2 13.244 18.920 -5.381 1.00 0.00 C ATOM 28 O VAL A 2 12.145 18.827 -5.928 1.00 0.00 O ATOM 29 CB VAL A 2 12.880 21.462 -5.260 1.00 0.00 C ATOM 30 CG1 VAL A 2 13.414 22.720 -4.561 1.00 0.00 C ATOM 31 CG2 VAL A 2 12.618 21.797 -6.739 1.00 0.00 C ATOM 0 H VAL A 2 14.932 21.123 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 2 14.093 20.274 -3.981 1.00 0.00 H new ATOM 0 HB VAL A 2 11.931 21.140 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.720 23.546 -4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.514 22.528 -3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 2 14.388 22.981 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.923 22.634 -6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 2 13.557 22.065 -7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.188 20.929 -7.238 1.00 0.00 H new ATOM 41 N GLY A 3 13.978 17.842 -5.090 1.00 0.00 N ATOM 42 CA GLY A 3 13.637 16.500 -5.538 1.00 0.00 C ATOM 43 C GLY A 3 13.931 16.406 -7.034 1.00 0.00 C ATOM 44 O GLY A 3 14.863 15.722 -7.447 1.00 0.00 O ATOM 0 H GLY A 3 14.831 17.883 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 3 14.217 15.758 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.585 16.290 -5.344 1.00 0.00 H new ATOM 48 N LEU A 4 13.155 17.131 -7.842 1.00 0.00 N ATOM 49 CA LEU A 4 13.450 17.319 -9.250 1.00 0.00 C ATOM 50 C LEU A 4 14.742 18.129 -9.358 1.00 0.00 C ATOM 51 O LEU A 4 14.834 19.233 -8.814 1.00 0.00 O ATOM 52 CB LEU A 4 12.300 18.045 -9.950 1.00 0.00 C ATOM 53 CG LEU A 4 10.985 17.250 -9.948 1.00 0.00 C ATOM 54 CD1 LEU A 4 9.934 18.087 -10.674 1.00 0.00 C ATOM 55 CD2 LEU A 4 11.112 15.896 -10.657 1.00 0.00 C ATOM 0 H LEU A 4 12.305 17.602 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 4 13.572 16.352 -9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.136 19.006 -9.462 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.587 18.256 -10.980 1.00 0.00 H new ATOM 0 HG LEU A 4 10.709 17.049 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.987 17.548 -10.689 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.803 19.037 -10.155 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.261 18.275 -11.697 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.154 15.377 -10.625 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.405 16.055 -11.695 1.00 0.00 H new ATOM 0 HD23 LEU A 4 11.868 15.292 -10.155 1.00 0.00 H new ATOM 67 N THR A 5 15.742 17.586 -10.052 1.00 0.00 N ATOM 68 CA THR A 5 16.990 18.283 -10.311 1.00 0.00 C ATOM 69 C THR A 5 16.742 19.499 -11.208 1.00 0.00 C ATOM 70 O THR A 5 15.715 19.599 -11.885 1.00 0.00 O ATOM 71 CB THR A 5 17.987 17.327 -10.976 1.00 0.00 C ATOM 72 OG1 THR A 5 17.425 16.792 -12.158 1.00 0.00 O ATOM 73 CG2 THR A 5 18.397 16.189 -10.035 1.00 0.00 C ATOM 0 H THR A 5 15.704 16.647 -10.449 1.00 0.00 H new ATOM 0 HA THR A 5 17.407 18.631 -9.366 1.00 0.00 H new ATOM 0 HB THR A 5 18.883 17.898 -11.219 1.00 0.00 H new ATOM 0 HG1 THR A 5 16.794 16.079 -11.926 1.00 0.00 H new ATOM 0 HG21 THR A 5 19.104 15.533 -10.543 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.865 16.605 -9.143 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.514 15.618 -9.749 1.00 0.00 H new ATOM 81 N GLU A 6 17.698 20.430 -11.238 1.00 0.00 N ATOM 82 CA GLU A 6 17.690 21.518 -12.199 1.00 0.00 C ATOM 83 C GLU A 6 17.609 20.943 -13.616 1.00 0.00 C ATOM 84 O GLU A 6 16.833 21.428 -14.431 1.00 0.00 O ATOM 85 CB GLU A 6 18.925 22.412 -12.010 1.00 0.00 C ATOM 86 CG GLU A 6 18.957 23.133 -10.649 1.00 0.00 C ATOM 87 CD GLU A 6 19.744 22.396 -9.562 1.00 0.00 C ATOM 88 OE1 GLU A 6 19.437 21.207 -9.331 1.00 0.00 O ATOM 89 OE2 GLU A 6 20.631 23.045 -8.965 1.00 0.00 O ATOM 0 H GLU A 6 18.492 20.445 -10.598 1.00 0.00 H new ATOM 0 HA GLU A 6 16.814 22.147 -12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.824 21.803 -12.111 1.00 0.00 H new ATOM 0 HB3 GLU A 6 18.952 23.155 -12.807 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.391 24.124 -10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.933 23.278 -10.304 1.00 0.00 H new ATOM 96 N GLU A 7 18.371 19.878 -13.883 1.00 0.00 N ATOM 97 CA GLU A 7 18.309 19.130 -15.128 1.00 0.00 C ATOM 98 C GLU A 7 16.860 18.750 -15.454 1.00 0.00 C ATOM 99 O GLU A 7 16.344 19.119 -16.507 1.00 0.00 O ATOM 100 CB GLU A 7 19.208 17.882 -15.071 1.00 0.00 C ATOM 101 CG GLU A 7 20.671 18.182 -14.699 1.00 0.00 C ATOM 102 CD GLU A 7 20.912 18.142 -13.191 1.00 0.00 C ATOM 103 OE1 GLU A 7 20.679 19.189 -12.548 1.00 0.00 O ATOM 104 OE2 GLU A 7 21.290 17.056 -12.702 1.00 0.00 O ATOM 0 H GLU A 7 19.058 19.511 -13.224 1.00 0.00 H new ATOM 0 HA GLU A 7 18.683 19.769 -15.928 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.795 17.182 -14.345 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.185 17.385 -16.041 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.322 17.457 -15.187 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.945 19.165 -15.081 1.00 0.00 H new ATOM 111 N GLN A 8 16.189 18.034 -14.545 1.00 0.00 N ATOM 112 CA GLN A 8 14.797 17.647 -14.749 1.00 0.00 C ATOM 113 C GLN A 8 13.912 18.870 -15.008 1.00 0.00 C ATOM 114 O GLN A 8 13.133 18.871 -15.959 1.00 0.00 O ATOM 115 CB GLN A 8 14.280 16.836 -13.556 1.00 0.00 C ATOM 116 CG GLN A 8 14.840 15.409 -13.575 1.00 0.00 C ATOM 117 CD GLN A 8 14.672 14.752 -12.212 1.00 0.00 C ATOM 118 OE1 GLN A 8 15.444 15.037 -11.302 1.00 0.00 O ATOM 119 NE2 GLN A 8 13.668 13.899 -12.043 1.00 0.00 N ATOM 0 H GLN A 8 16.590 17.713 -13.664 1.00 0.00 H new ATOM 0 HA GLN A 8 14.751 17.015 -15.636 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.564 17.329 -12.626 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.191 16.803 -13.579 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.326 14.820 -14.335 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.895 15.430 -13.848 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.045 13.684 -12.821 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.520 13.459 -11.135 1.00 0.00 H new ATOM 128 N LYS A 9 14.011 19.912 -14.177 1.00 0.00 N ATOM 129 CA LYS A 9 13.176 21.090 -14.373 1.00 0.00 C ATOM 130 C LYS A 9 13.436 21.732 -15.742 1.00 0.00 C ATOM 131 O LYS A 9 12.488 22.109 -16.429 1.00 0.00 O ATOM 132 CB LYS A 9 13.331 22.069 -13.204 1.00 0.00 C ATOM 133 CG LYS A 9 12.710 21.457 -11.938 1.00 0.00 C ATOM 134 CD LYS A 9 12.625 22.451 -10.772 1.00 0.00 C ATOM 135 CE LYS A 9 13.992 22.974 -10.319 1.00 0.00 C ATOM 136 NZ LYS A 9 14.918 21.872 -10.004 1.00 0.00 N ATOM 0 H LYS A 9 14.647 19.961 -13.381 1.00 0.00 H new ATOM 0 HA LYS A 9 12.131 20.782 -14.379 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.386 22.287 -13.036 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.844 23.015 -13.441 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.710 21.092 -12.171 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.301 20.594 -11.631 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.001 23.294 -11.068 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.131 21.969 -9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.421 23.598 -11.103 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.867 23.607 -9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.783 22.257 -9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.463 21.216 -9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.163 21.364 -10.878 1.00 0.00 H new ATOM 150 N GLN A 10 14.698 21.809 -16.171 1.00 0.00 N ATOM 151 CA GLN A 10 15.038 22.258 -17.512 1.00 0.00 C ATOM 152 C GLN A 10 14.371 21.374 -18.564 1.00 0.00 C ATOM 153 O GLN A 10 13.688 21.892 -19.440 1.00 0.00 O ATOM 154 CB GLN A 10 16.562 22.305 -17.707 1.00 0.00 C ATOM 155 CG GLN A 10 17.205 23.530 -17.044 1.00 0.00 C ATOM 156 CD GLN A 10 16.678 24.870 -17.556 1.00 0.00 C ATOM 157 OE1 GLN A 10 16.635 25.841 -16.809 1.00 0.00 O ATOM 158 NE2 GLN A 10 16.261 24.961 -18.818 1.00 0.00 N ATOM 0 H GLN A 10 15.505 21.562 -15.598 1.00 0.00 H new ATOM 0 HA GLN A 10 14.658 23.272 -17.638 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.005 21.399 -17.294 1.00 0.00 H new ATOM 0 HB3 GLN A 10 16.788 22.313 -18.773 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.040 23.475 -15.968 1.00 0.00 H new ATOM 0 HG3 GLN A 10 18.283 23.491 -17.204 1.00 0.00 H new ATOM 0 HE21 GLN A 10 16.302 24.145 -19.429 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.900 25.846 -19.173 1.00 0.00 H new ATOM 167 N GLU A 11 14.530 20.051 -18.480 1.00 0.00 N ATOM 168 CA GLU A 11 13.883 19.126 -19.406 1.00 0.00 C ATOM 169 C GLU A 11 12.381 19.422 -19.503 1.00 0.00 C ATOM 170 O GLU A 11 11.846 19.575 -20.601 1.00 0.00 O ATOM 171 CB GLU A 11 14.147 17.674 -18.981 1.00 0.00 C ATOM 172 CG GLU A 11 15.623 17.285 -19.152 1.00 0.00 C ATOM 173 CD GLU A 11 15.937 15.976 -18.432 1.00 0.00 C ATOM 174 OE1 GLU A 11 15.411 14.941 -18.892 1.00 0.00 O ATOM 175 OE2 GLU A 11 16.686 16.036 -17.433 1.00 0.00 O ATOM 0 H GLU A 11 15.107 19.596 -17.773 1.00 0.00 H new ATOM 0 HA GLU A 11 14.310 19.265 -20.399 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.856 17.542 -17.939 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.524 17.004 -19.573 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.855 17.184 -20.212 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.259 18.079 -18.761 1.00 0.00 H new ATOM 182 N ILE A 12 11.704 19.547 -18.358 1.00 0.00 N ATOM 183 CA ILE A 12 10.285 19.883 -18.307 1.00 0.00 C ATOM 184 C ILE A 12 10.030 21.242 -18.988 1.00 0.00 C ATOM 185 O ILE A 12 9.100 21.377 -19.779 1.00 0.00 O ATOM 186 CB ILE A 12 9.782 19.813 -16.848 1.00 0.00 C ATOM 187 CG1 ILE A 12 9.896 18.365 -16.325 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.321 20.269 -16.725 1.00 0.00 C ATOM 189 CD1 ILE A 12 9.671 18.252 -14.814 1.00 0.00 C ATOM 0 H ILE A 12 12.129 19.417 -17.440 1.00 0.00 H new ATOM 0 HA ILE A 12 9.705 19.152 -18.871 1.00 0.00 H new ATOM 0 HB ILE A 12 10.404 20.484 -16.256 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.168 17.740 -16.842 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.883 17.973 -16.569 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.006 20.205 -15.683 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.231 21.300 -17.068 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.687 19.627 -17.336 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.764 17.210 -14.509 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.415 18.852 -14.290 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.673 18.614 -14.567 1.00 0.00 H new ATOM 201 N ARG A 13 10.855 22.250 -18.704 1.00 0.00 N ATOM 202 CA ARG A 13 10.754 23.581 -19.298 1.00 0.00 C ATOM 203 C ARG A 13 10.921 23.541 -20.823 1.00 0.00 C ATOM 204 O ARG A 13 10.194 24.228 -21.546 1.00 0.00 O ATOM 205 CB ARG A 13 11.723 24.525 -18.566 1.00 0.00 C ATOM 206 CG ARG A 13 11.348 26.005 -18.715 1.00 0.00 C ATOM 207 CD ARG A 13 11.978 26.581 -19.977 1.00 0.00 C ATOM 208 NE ARG A 13 11.410 27.890 -20.317 1.00 0.00 N ATOM 209 CZ ARG A 13 10.379 28.089 -21.151 1.00 0.00 C ATOM 210 NH1 ARG A 13 9.712 27.060 -21.690 1.00 0.00 N ATOM 211 NH2 ARG A 13 10.020 29.340 -21.453 1.00 0.00 N ATOM 0 H ARG A 13 11.626 22.162 -18.042 1.00 0.00 H new ATOM 0 HA ARG A 13 9.750 23.983 -19.160 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.743 24.266 -17.507 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.731 24.371 -18.951 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.264 26.111 -18.760 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.687 26.564 -17.843 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.054 26.677 -19.835 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.826 25.891 -20.807 1.00 0.00 H new ATOM 0 HE ARG A 13 11.832 28.712 -19.886 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.986 26.103 -21.468 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.931 27.234 -22.322 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.528 30.128 -21.051 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.238 29.507 -22.086 1.00 0.00 H new ATOM 225 N GLU A 14 11.857 22.737 -21.321 1.00 0.00 N ATOM 226 CA GLU A 14 12.098 22.573 -22.746 1.00 0.00 C ATOM 227 C GLU A 14 10.928 21.826 -23.391 1.00 0.00 C ATOM 228 O GLU A 14 10.444 22.233 -24.445 1.00 0.00 O ATOM 229 CB GLU A 14 13.444 21.868 -22.977 1.00 0.00 C ATOM 230 CG GLU A 14 14.631 22.849 -22.994 1.00 0.00 C ATOM 231 CD GLU A 14 14.859 23.597 -21.681 1.00 0.00 C ATOM 232 OE1 GLU A 14 14.139 24.594 -21.455 1.00 0.00 O ATOM 233 OE2 GLU A 14 15.783 23.191 -20.942 1.00 0.00 O ATOM 0 H GLU A 14 12.476 22.175 -20.736 1.00 0.00 H new ATOM 0 HA GLU A 14 12.162 23.550 -23.224 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.601 21.127 -22.193 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.410 21.328 -23.923 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.537 22.297 -23.244 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.471 23.578 -23.789 1.00 0.00 H new ATOM 240 N ALA A 15 10.443 20.752 -22.759 1.00 0.00 N ATOM 241 CA ALA A 15 9.242 20.062 -23.219 1.00 0.00 C ATOM 242 C ALA A 15 8.080 21.053 -23.321 1.00 0.00 C ATOM 243 O ALA A 15 7.420 21.144 -24.354 1.00 0.00 O ATOM 244 CB ALA A 15 8.908 18.898 -22.282 1.00 0.00 C ATOM 0 H ALA A 15 10.868 20.344 -21.926 1.00 0.00 H new ATOM 0 HA ALA A 15 9.420 19.647 -24.211 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.010 18.392 -22.636 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.740 18.193 -22.266 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.736 19.279 -21.275 1.00 0.00 H new ATOM 250 N PHE A 16 7.867 21.835 -22.258 1.00 0.00 N ATOM 251 CA PHE A 16 6.872 22.895 -22.234 1.00 0.00 C ATOM 252 C PHE A 16 7.057 23.827 -23.436 1.00 0.00 C ATOM 253 O PHE A 16 6.106 24.073 -24.177 1.00 0.00 O ATOM 254 CB PHE A 16 6.937 23.654 -20.901 1.00 0.00 C ATOM 255 CG PHE A 16 5.897 24.745 -20.745 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.590 24.418 -20.347 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.227 26.086 -21.012 1.00 0.00 C ATOM 258 CE1 PHE A 16 3.616 25.422 -20.214 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.251 27.090 -20.899 1.00 0.00 C ATOM 260 CZ PHE A 16 3.950 26.758 -20.489 1.00 0.00 C ATOM 0 H PHE A 16 8.388 21.744 -21.386 1.00 0.00 H new ATOM 0 HA PHE A 16 5.877 22.456 -22.313 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.821 22.940 -20.085 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.928 24.097 -20.798 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.332 23.389 -20.142 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.234 26.345 -21.305 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.614 25.167 -19.901 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.501 28.116 -21.127 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.204 27.532 -20.385 1.00 0.00 H new ATOM 270 N ASP A 17 8.283 24.321 -23.645 1.00 0.00 N ATOM 271 CA ASP A 17 8.608 25.178 -24.781 1.00 0.00 C ATOM 272 C ASP A 17 8.181 24.533 -26.101 1.00 0.00 C ATOM 273 O ASP A 17 7.462 25.153 -26.878 1.00 0.00 O ATOM 274 CB ASP A 17 10.105 25.511 -24.807 1.00 0.00 C ATOM 275 CG ASP A 17 10.400 26.593 -25.838 1.00 0.00 C ATOM 276 OD1 ASP A 17 10.248 27.777 -25.469 1.00 0.00 O ATOM 277 OD2 ASP A 17 10.770 26.215 -26.970 1.00 0.00 O ATOM 0 H ASP A 17 9.074 24.135 -23.029 1.00 0.00 H new ATOM 0 HA ASP A 17 8.051 26.107 -24.662 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.425 25.846 -23.820 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.678 24.614 -25.041 1.00 0.00 H new ATOM 282 N LEU A 18 8.614 23.290 -26.347 1.00 0.00 N ATOM 283 CA LEU A 18 8.265 22.553 -27.557 1.00 0.00 C ATOM 284 C LEU A 18 6.746 22.519 -27.724 1.00 0.00 C ATOM 285 O LEU A 18 6.222 22.871 -28.778 1.00 0.00 O ATOM 286 CB LEU A 18 8.820 21.120 -27.500 1.00 0.00 C ATOM 287 CG LEU A 18 8.577 20.356 -28.819 1.00 0.00 C ATOM 288 CD1 LEU A 18 9.774 20.519 -29.761 1.00 0.00 C ATOM 289 CD2 LEU A 18 8.300 18.873 -28.553 1.00 0.00 C ATOM 0 H LEU A 18 9.217 22.771 -25.709 1.00 0.00 H new ATOM 0 HA LEU A 18 8.710 23.061 -28.413 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.889 21.153 -27.291 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.351 20.581 -26.677 1.00 0.00 H new ATOM 0 HG LEU A 18 7.696 20.782 -29.299 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.586 19.974 -30.686 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.919 21.576 -29.985 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.670 20.123 -29.283 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.132 18.359 -29.499 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.156 18.428 -28.045 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.414 18.775 -27.925 1.00 0.00 H new ATOM 301 N PHE A 19 6.045 22.061 -26.686 1.00 0.00 N ATOM 302 CA PHE A 19 4.602 21.916 -26.727 1.00 0.00 C ATOM 303 C PHE A 19 3.929 23.260 -26.999 1.00 0.00 C ATOM 304 O PHE A 19 2.974 23.314 -27.771 1.00 0.00 O ATOM 305 CB PHE A 19 4.100 21.292 -25.421 1.00 0.00 C ATOM 306 CG PHE A 19 4.624 19.907 -25.072 1.00 0.00 C ATOM 307 CD1 PHE A 19 5.007 18.990 -26.072 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.599 19.489 -23.727 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.379 17.678 -25.731 1.00 0.00 C ATOM 310 CE2 PHE A 19 4.945 18.168 -23.390 1.00 0.00 C ATOM 311 CZ PHE A 19 5.360 17.270 -24.387 1.00 0.00 C ATOM 0 H PHE A 19 6.466 21.783 -25.800 1.00 0.00 H new ATOM 0 HA PHE A 19 4.338 21.248 -27.547 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.354 21.967 -24.603 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.012 21.241 -25.466 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.015 19.298 -27.107 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.313 20.185 -22.952 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.679 16.984 -26.502 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.891 17.843 -22.361 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.664 16.268 -24.121 1.00 0.00 H new ATOM 321 N ASP A 20 4.432 24.351 -26.416 1.00 0.00 N ATOM 322 CA ASP A 20 3.981 25.698 -26.750 1.00 0.00 C ATOM 323 C ASP A 20 4.525 26.107 -28.127 1.00 0.00 C ATOM 324 O ASP A 20 5.227 27.108 -28.251 1.00 0.00 O ATOM 325 CB ASP A 20 4.403 26.681 -25.647 1.00 0.00 C ATOM 326 CG ASP A 20 3.855 28.094 -25.864 1.00 0.00 C ATOM 327 OD1 ASP A 20 2.950 28.258 -26.713 1.00 0.00 O ATOM 328 OD2 ASP A 20 4.358 29.006 -25.173 1.00 0.00 O ATOM 0 H ASP A 20 5.160 24.323 -25.702 1.00 0.00 H new ATOM 0 HA ASP A 20 2.893 25.718 -26.808 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.058 26.307 -24.683 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.491 26.722 -25.601 1.00 0.00 H new ATOM 333 N THR A 21 4.162 25.357 -29.171 1.00 0.00 N ATOM 334 CA THR A 21 4.588 25.579 -30.546 1.00 0.00 C ATOM 335 C THR A 21 4.351 27.027 -30.982 1.00 0.00 C ATOM 336 O THR A 21 5.199 27.627 -31.638 1.00 0.00 O ATOM 337 CB THR A 21 3.859 24.598 -31.478 1.00 0.00 C ATOM 338 OG1 THR A 21 2.454 24.709 -31.345 1.00 0.00 O ATOM 339 CG2 THR A 21 4.257 23.143 -31.214 1.00 0.00 C ATOM 0 H THR A 21 3.542 24.553 -29.074 1.00 0.00 H new ATOM 0 HA THR A 21 5.661 25.398 -30.608 1.00 0.00 H new ATOM 0 HB THR A 21 4.159 24.869 -32.490 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.241 25.219 -30.535 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.716 22.488 -31.897 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.329 23.025 -31.371 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.010 22.879 -30.186 1.00 0.00 H new ATOM 347 N ASP A 22 3.194 27.589 -30.617 1.00 0.00 N ATOM 348 CA ASP A 22 2.844 28.961 -30.964 1.00 0.00 C ATOM 349 C ASP A 22 3.726 29.985 -30.236 1.00 0.00 C ATOM 350 O ASP A 22 3.823 31.129 -30.671 1.00 0.00 O ATOM 351 CB ASP A 22 1.362 29.197 -30.662 1.00 0.00 C ATOM 352 CG ASP A 22 0.917 30.593 -31.095 1.00 0.00 C ATOM 353 OD1 ASP A 22 0.675 30.755 -32.309 1.00 0.00 O ATOM 354 OD2 ASP A 22 0.820 31.470 -30.208 1.00 0.00 O ATOM 0 H ASP A 22 2.479 27.104 -30.075 1.00 0.00 H new ATOM 0 HA ASP A 22 3.024 29.101 -32.030 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.761 28.447 -31.176 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.183 29.072 -29.594 1.00 0.00 H new ATOM 359 N GLY A 23 4.344 29.599 -29.117 1.00 0.00 N ATOM 360 CA GLY A 23 5.111 30.507 -28.281 1.00 0.00 C ATOM 361 C GLY A 23 4.196 31.502 -27.570 1.00 0.00 C ATOM 362 O GLY A 23 4.571 32.654 -27.365 1.00 0.00 O ATOM 0 H GLY A 23 4.322 28.640 -28.769 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.677 29.938 -27.544 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.835 31.046 -28.892 1.00 0.00 H new ATOM 366 N SER A 24 2.999 31.061 -27.166 1.00 0.00 N ATOM 367 CA SER A 24 2.025 31.915 -26.501 1.00 0.00 C ATOM 368 C SER A 24 2.436 32.261 -25.067 1.00 0.00 C ATOM 369 O SER A 24 1.827 33.134 -24.454 1.00 0.00 O ATOM 370 CB SER A 24 0.661 31.219 -26.494 1.00 0.00 C ATOM 371 OG SER A 24 0.418 30.578 -27.730 1.00 0.00 O ATOM 0 H SER A 24 2.684 30.099 -27.294 1.00 0.00 H new ATOM 0 HA SER A 24 1.972 32.851 -27.057 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.625 30.488 -25.687 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.124 31.949 -26.298 1.00 0.00 H new ATOM 0 HG SER A 24 0.565 31.213 -28.462 1.00 0.00 H new ATOM 377 N GLY A 25 3.401 31.532 -24.497 1.00 0.00 N ATOM 378 CA GLY A 25 3.783 31.638 -23.095 1.00 0.00 C ATOM 379 C GLY A 25 3.097 30.539 -22.286 1.00 0.00 C ATOM 380 O GLY A 25 3.708 29.942 -21.402 1.00 0.00 O ATOM 0 H GLY A 25 3.946 30.840 -25.012 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.865 31.553 -22.996 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.503 32.617 -22.706 1.00 0.00 H new ATOM 384 N THR A 26 1.830 30.269 -22.601 1.00 0.00 N ATOM 385 CA THR A 26 1.019 29.225 -22.002 1.00 0.00 C ATOM 386 C THR A 26 0.651 28.194 -23.081 1.00 0.00 C ATOM 387 O THR A 26 0.426 28.552 -24.235 1.00 0.00 O ATOM 388 CB THR A 26 -0.192 29.878 -21.329 1.00 0.00 C ATOM 389 OG1 THR A 26 -0.956 30.588 -22.280 1.00 0.00 O ATOM 390 CG2 THR A 26 0.220 30.881 -20.247 1.00 0.00 C ATOM 0 H THR A 26 1.325 30.798 -23.312 1.00 0.00 H new ATOM 0 HA THR A 26 1.559 28.680 -21.228 1.00 0.00 H new ATOM 0 HB THR A 26 -0.766 29.068 -20.879 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.893 30.612 -21.994 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.672 31.318 -19.798 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.800 30.370 -19.479 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.826 31.670 -20.694 1.00 0.00 H new ATOM 398 N ILE A 27 0.624 26.905 -22.733 1.00 0.00 N ATOM 399 CA ILE A 27 0.245 25.841 -23.659 1.00 0.00 C ATOM 400 C ILE A 27 -1.269 25.894 -23.850 1.00 0.00 C ATOM 401 O ILE A 27 -1.999 25.802 -22.867 1.00 0.00 O ATOM 402 CB ILE A 27 0.695 24.481 -23.092 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.215 24.357 -23.254 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.017 23.282 -23.772 1.00 0.00 C ATOM 405 CD1 ILE A 27 2.745 23.072 -22.620 1.00 0.00 C ATOM 0 H ILE A 27 0.865 26.572 -21.800 1.00 0.00 H new ATOM 0 HA ILE A 27 0.730 25.973 -24.626 1.00 0.00 H new ATOM 0 HB ILE A 27 0.400 24.457 -22.043 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.471 24.373 -24.313 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.702 25.218 -22.795 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.380 22.357 -23.324 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.063 23.351 -23.639 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.252 23.286 -24.836 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.825 23.019 -22.755 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.511 23.068 -21.555 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.277 22.211 -23.097 1.00 0.00 H new ATOM 417 N ASP A 28 -1.762 26.012 -25.085 1.00 0.00 N ATOM 418 CA ASP A 28 -3.193 25.905 -25.347 1.00 0.00 C ATOM 419 C ASP A 28 -3.654 24.454 -25.180 1.00 0.00 C ATOM 420 O ASP A 28 -2.908 23.534 -25.510 1.00 0.00 O ATOM 421 CB ASP A 28 -3.503 26.419 -26.758 1.00 0.00 C ATOM 422 CG ASP A 28 -5.001 26.372 -27.049 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.459 25.300 -27.503 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.665 27.397 -26.786 1.00 0.00 O ATOM 0 H ASP A 28 -1.192 26.181 -25.914 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.737 26.518 -24.628 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.142 27.442 -26.862 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.969 25.816 -27.492 1.00 0.00 H new ATOM 429 N ALA A 29 -4.892 24.238 -24.720 1.00 0.00 N ATOM 430 CA ALA A 29 -5.527 22.922 -24.658 1.00 0.00 C ATOM 431 C ALA A 29 -5.173 22.018 -25.852 1.00 0.00 C ATOM 432 O ALA A 29 -4.767 20.873 -25.664 1.00 0.00 O ATOM 433 CB ALA A 29 -7.044 23.105 -24.551 1.00 0.00 C ATOM 0 H ALA A 29 -5.489 24.989 -24.375 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.142 22.412 -23.775 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.526 22.128 -24.504 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.280 23.669 -23.649 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.407 23.648 -25.424 1.00 0.00 H new ATOM 439 N LYS A 30 -5.296 22.530 -27.081 1.00 0.00 N ATOM 440 CA LYS A 30 -4.963 21.780 -28.289 1.00 0.00 C ATOM 441 C LYS A 30 -3.500 21.321 -28.270 1.00 0.00 C ATOM 442 O LYS A 30 -3.196 20.166 -28.561 1.00 0.00 O ATOM 443 CB LYS A 30 -5.242 22.636 -29.533 1.00 0.00 C ATOM 444 CG LYS A 30 -6.737 22.966 -29.676 1.00 0.00 C ATOM 445 CD LYS A 30 -7.029 23.900 -30.863 1.00 0.00 C ATOM 446 CE LYS A 30 -7.334 23.167 -32.179 1.00 0.00 C ATOM 447 NZ LYS A 30 -6.185 22.399 -32.687 1.00 0.00 N ATOM 0 H LYS A 30 -5.630 23.477 -27.263 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.591 20.890 -28.323 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.670 23.562 -29.473 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.900 22.107 -30.422 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.299 22.040 -29.801 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.091 23.432 -28.757 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.876 24.537 -30.610 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.171 24.555 -31.015 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.176 22.492 -32.026 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.640 23.894 -32.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.345 22.154 -33.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.321 22.972 -32.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.076 21.528 -32.130 1.00 0.00 H new ATOM 461 N GLU A 31 -2.586 22.227 -27.916 1.00 0.00 N ATOM 462 CA GLU A 31 -1.171 21.912 -27.804 1.00 0.00 C ATOM 463 C GLU A 31 -0.948 20.858 -26.712 1.00 0.00 C ATOM 464 O GLU A 31 -0.136 19.952 -26.880 1.00 0.00 O ATOM 465 CB GLU A 31 -0.370 23.189 -27.524 1.00 0.00 C ATOM 466 CG GLU A 31 -0.349 24.160 -28.715 1.00 0.00 C ATOM 467 CD GLU A 31 0.386 25.454 -28.367 1.00 0.00 C ATOM 468 OE1 GLU A 31 0.011 26.048 -27.331 1.00 0.00 O ATOM 469 OE2 GLU A 31 1.300 25.828 -29.138 1.00 0.00 O ATOM 0 H GLU A 31 -2.812 23.198 -27.700 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.819 21.494 -28.747 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.796 23.695 -26.658 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.654 22.919 -27.265 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.135 23.683 -29.567 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.371 24.390 -29.017 1.00 0.00 H new ATOM 476 N LEU A 32 -1.675 20.953 -25.594 1.00 0.00 N ATOM 477 CA LEU A 32 -1.595 19.932 -24.553 1.00 0.00 C ATOM 478 C LEU A 32 -2.060 18.578 -25.108 1.00 0.00 C ATOM 479 O LEU A 32 -1.425 17.554 -24.868 1.00 0.00 O ATOM 480 CB LEU A 32 -2.397 20.336 -23.307 1.00 0.00 C ATOM 481 CG LEU A 32 -1.918 19.581 -22.050 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.666 20.224 -21.435 1.00 0.00 C ATOM 483 CD2 LEU A 32 -3.051 19.527 -21.017 1.00 0.00 C ATOM 0 H LEU A 32 -2.318 21.719 -25.391 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.555 19.837 -24.242 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.301 21.410 -23.145 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.455 20.132 -23.473 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.647 18.569 -22.350 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.364 19.660 -20.552 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.143 20.216 -22.165 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.888 21.252 -21.150 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.710 18.993 -20.130 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.340 20.541 -20.741 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.909 19.009 -21.445 1.00 0.00 H new ATOM 495 N LYS A 33 -3.163 18.553 -25.857 1.00 0.00 N ATOM 496 CA LYS A 33 -3.642 17.339 -26.504 1.00 0.00 C ATOM 497 C LYS A 33 -2.579 16.767 -27.451 1.00 0.00 C ATOM 498 O LYS A 33 -2.296 15.572 -27.391 1.00 0.00 O ATOM 499 CB LYS A 33 -4.995 17.609 -27.169 1.00 0.00 C ATOM 500 CG LYS A 33 -5.588 16.355 -27.820 1.00 0.00 C ATOM 501 CD LYS A 33 -6.988 16.657 -28.368 1.00 0.00 C ATOM 502 CE LYS A 33 -7.609 15.404 -28.997 1.00 0.00 C ATOM 503 NZ LYS A 33 -8.930 15.695 -29.578 1.00 0.00 N ATOM 0 H LYS A 33 -3.745 19.373 -26.030 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.811 16.560 -25.761 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.692 17.993 -26.424 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.877 18.386 -27.925 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.939 16.013 -28.627 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.641 15.547 -27.090 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.628 17.021 -27.564 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.929 17.451 -29.112 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.946 15.017 -29.771 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.706 14.625 -28.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.324 14.828 -29.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.568 16.042 -28.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.832 16.421 -30.316 1.00 0.00 H new ATOM 517 N VAL A 34 -1.963 17.605 -28.294 1.00 0.00 N ATOM 518 CA VAL A 34 -0.820 17.190 -29.111 1.00 0.00 C ATOM 519 C VAL A 34 0.258 16.558 -28.226 1.00 0.00 C ATOM 520 O VAL A 34 0.719 15.453 -28.508 1.00 0.00 O ATOM 521 CB VAL A 34 -0.261 18.378 -29.920 1.00 0.00 C ATOM 522 CG1 VAL A 34 1.143 18.103 -30.490 1.00 0.00 C ATOM 523 CG2 VAL A 34 -1.216 18.724 -31.069 1.00 0.00 C ATOM 0 H VAL A 34 -2.240 18.578 -28.427 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.155 16.439 -29.827 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.176 19.217 -29.230 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.485 18.973 -31.050 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.835 17.902 -29.672 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.104 17.238 -31.152 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.814 19.564 -31.636 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.322 17.861 -31.726 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.191 18.993 -30.663 1.00 0.00 H new ATOM 533 N ALA A 35 0.662 17.252 -27.161 1.00 0.00 N ATOM 534 CA ALA A 35 1.677 16.764 -26.240 1.00 0.00 C ATOM 535 C ALA A 35 1.317 15.368 -25.734 1.00 0.00 C ATOM 536 O ALA A 35 2.108 14.438 -25.849 1.00 0.00 O ATOM 537 CB ALA A 35 1.847 17.742 -25.077 1.00 0.00 C ATOM 0 H ALA A 35 0.291 18.170 -26.916 1.00 0.00 H new ATOM 0 HA ALA A 35 2.627 16.693 -26.770 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.609 17.366 -24.394 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.152 18.715 -25.462 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.901 17.843 -24.545 1.00 0.00 H new ATOM 543 N MET A 36 0.115 15.209 -25.186 1.00 0.00 N ATOM 544 CA MET A 36 -0.354 13.941 -24.653 1.00 0.00 C ATOM 545 C MET A 36 -0.394 12.857 -25.729 1.00 0.00 C ATOM 546 O MET A 36 0.021 11.727 -25.477 1.00 0.00 O ATOM 547 CB MET A 36 -1.688 14.164 -23.943 1.00 0.00 C ATOM 548 CG MET A 36 -1.412 14.921 -22.633 1.00 0.00 C ATOM 549 SD MET A 36 -2.843 15.238 -21.584 1.00 0.00 S ATOM 550 CE MET A 36 -3.757 16.301 -22.710 1.00 0.00 C ATOM 0 H MET A 36 -0.564 15.966 -25.101 1.00 0.00 H new ATOM 0 HA MET A 36 0.351 13.563 -23.912 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.366 14.736 -24.577 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.173 13.210 -23.736 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.682 14.353 -22.056 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.949 15.876 -22.880 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.637 16.696 -22.203 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.120 17.126 -23.029 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.068 15.725 -23.582 1.00 0.00 H new ATOM 560 N ARG A 37 -0.847 13.194 -26.937 1.00 0.00 N ATOM 561 CA ARG A 37 -0.797 12.261 -28.053 1.00 0.00 C ATOM 562 C ARG A 37 0.649 11.812 -28.294 1.00 0.00 C ATOM 563 O ARG A 37 0.925 10.618 -28.378 1.00 0.00 O ATOM 564 CB ARG A 37 -1.433 12.900 -29.297 1.00 0.00 C ATOM 565 CG ARG A 37 -1.641 11.931 -30.472 1.00 0.00 C ATOM 566 CD ARG A 37 -2.817 10.965 -30.264 1.00 0.00 C ATOM 567 NE ARG A 37 -2.502 9.871 -29.333 1.00 0.00 N ATOM 568 CZ ARG A 37 -1.763 8.788 -29.609 1.00 0.00 C ATOM 569 NH1 ARG A 37 -1.246 8.600 -30.828 1.00 0.00 N ATOM 570 NH2 ARG A 37 -1.554 7.895 -28.639 1.00 0.00 N ATOM 0 H ARG A 37 -1.250 14.103 -27.163 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.376 11.367 -27.819 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.397 13.327 -29.019 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.803 13.725 -29.629 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.809 12.506 -31.382 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.729 11.354 -30.624 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.675 11.521 -29.886 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.109 10.544 -31.226 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.882 9.943 -28.389 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.412 9.287 -31.564 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.686 7.770 -31.022 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.954 8.045 -27.713 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.995 7.062 -28.824 1.00 0.00 H new ATOM 584 N ALA A 38 1.589 12.760 -28.354 1.00 0.00 N ATOM 585 CA ALA A 38 3.012 12.466 -28.511 1.00 0.00 C ATOM 586 C ALA A 38 3.544 11.612 -27.353 1.00 0.00 C ATOM 587 O ALA A 38 4.340 10.703 -27.570 1.00 0.00 O ATOM 588 CB ALA A 38 3.807 13.765 -28.664 1.00 0.00 C ATOM 0 H ALA A 38 1.381 13.757 -28.295 1.00 0.00 H new ATOM 0 HA ALA A 38 3.140 11.878 -29.420 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.866 13.532 -28.780 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.456 14.305 -29.543 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.667 14.384 -27.778 1.00 0.00 H new ATOM 594 N LEU A 39 3.075 11.868 -26.128 1.00 0.00 N ATOM 595 CA LEU A 39 3.370 11.056 -24.949 1.00 0.00 C ATOM 596 C LEU A 39 2.693 9.674 -25.018 1.00 0.00 C ATOM 597 O LEU A 39 2.867 8.865 -24.108 1.00 0.00 O ATOM 598 CB LEU A 39 2.949 11.806 -23.671 1.00 0.00 C ATOM 599 CG LEU A 39 3.730 13.106 -23.397 1.00 0.00 C ATOM 600 CD1 LEU A 39 2.940 14.030 -22.453 1.00 0.00 C ATOM 601 CD2 LEU A 39 5.093 12.790 -22.769 1.00 0.00 C ATOM 0 H LEU A 39 2.467 12.662 -25.927 1.00 0.00 H new ATOM 0 HA LEU A 39 4.446 10.885 -24.923 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.888 12.044 -23.739 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.072 11.139 -22.818 1.00 0.00 H new ATOM 0 HG LEU A 39 3.878 13.613 -24.350 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.511 14.941 -22.274 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.984 14.285 -22.910 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.765 13.519 -21.506 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.632 13.719 -22.582 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.946 12.260 -21.828 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.672 12.166 -23.450 1.00 0.00 H new ATOM 613 N GLY A 40 1.926 9.384 -26.074 1.00 0.00 N ATOM 614 CA GLY A 40 1.329 8.083 -26.325 1.00 0.00 C ATOM 615 C GLY A 40 -0.029 7.922 -25.645 1.00 0.00 C ATOM 616 O GLY A 40 -0.584 6.825 -25.648 1.00 0.00 O ATOM 0 H GLY A 40 1.702 10.072 -26.793 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.213 7.941 -27.399 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.003 7.303 -25.972 1.00 0.00 H new ATOM 620 N PHE A 41 -0.584 8.990 -25.067 1.00 0.00 N ATOM 621 CA PHE A 41 -1.851 8.913 -24.356 1.00 0.00 C ATOM 622 C PHE A 41 -2.987 8.777 -25.371 1.00 0.00 C ATOM 623 O PHE A 41 -2.818 9.101 -26.546 1.00 0.00 O ATOM 624 CB PHE A 41 -2.061 10.171 -23.498 1.00 0.00 C ATOM 625 CG PHE A 41 -1.077 10.455 -22.367 1.00 0.00 C ATOM 626 CD1 PHE A 41 0.095 9.691 -22.171 1.00 0.00 C ATOM 627 CD2 PHE A 41 -1.334 11.542 -21.510 1.00 0.00 C ATOM 628 CE1 PHE A 41 1.037 10.075 -21.203 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.397 11.918 -20.533 1.00 0.00 C ATOM 630 CZ PHE A 41 0.804 11.202 -20.398 1.00 0.00 C ATOM 0 H PHE A 41 -0.168 9.921 -25.081 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.842 8.045 -23.697 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.055 11.032 -24.166 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.058 10.112 -23.062 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.267 8.808 -22.768 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.259 12.091 -21.604 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.944 9.502 -21.077 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.600 12.758 -19.885 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.545 11.517 -19.678 1.00 0.00 H new ATOM 640 N GLU A 42 -4.161 8.341 -24.910 1.00 0.00 N ATOM 641 CA GLU A 42 -5.388 8.334 -25.694 1.00 0.00 C ATOM 642 C GLU A 42 -6.273 9.486 -25.201 1.00 0.00 C ATOM 643 O GLU A 42 -7.017 9.292 -24.238 1.00 0.00 O ATOM 644 CB GLU A 42 -6.090 6.980 -25.529 1.00 0.00 C ATOM 645 CG GLU A 42 -5.235 5.837 -26.094 1.00 0.00 C ATOM 646 CD GLU A 42 -5.978 4.508 -26.016 1.00 0.00 C ATOM 647 OE1 GLU A 42 -6.943 4.355 -26.795 1.00 0.00 O ATOM 648 OE2 GLU A 42 -5.578 3.678 -25.172 1.00 0.00 O ATOM 0 H GLU A 42 -4.283 7.978 -23.965 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.178 8.473 -26.754 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.292 6.799 -24.473 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.053 7.003 -26.038 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.974 6.051 -27.130 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.300 5.768 -25.538 1.00 0.00 H new ATOM 655 N PRO A 43 -6.188 10.691 -25.791 1.00 0.00 N ATOM 656 CA PRO A 43 -6.900 11.852 -25.284 1.00 0.00 C ATOM 657 C PRO A 43 -8.412 11.781 -25.540 1.00 0.00 C ATOM 658 O PRO A 43 -8.949 12.488 -26.391 1.00 0.00 O ATOM 659 CB PRO A 43 -6.219 13.069 -25.916 1.00 0.00 C ATOM 660 CG PRO A 43 -5.625 12.519 -27.205 1.00 0.00 C ATOM 661 CD PRO A 43 -5.236 11.094 -26.816 1.00 0.00 C ATOM 0 HA PRO A 43 -6.841 11.911 -24.197 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.932 13.870 -26.113 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.449 13.481 -25.264 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.347 12.533 -28.021 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.762 13.099 -27.533 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.282 10.427 -27.677 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.214 11.057 -26.438 1.00 0.00 H new ATOM 669 N LYS A 44 -9.108 10.954 -24.757 1.00 0.00 N ATOM 670 CA LYS A 44 -10.560 10.889 -24.741 1.00 0.00 C ATOM 671 C LYS A 44 -11.133 12.218 -24.227 1.00 0.00 C ATOM 672 O LYS A 44 -10.795 12.668 -23.132 1.00 0.00 O ATOM 673 CB LYS A 44 -11.025 9.702 -23.887 1.00 0.00 C ATOM 674 CG LYS A 44 -10.467 8.341 -24.336 1.00 0.00 C ATOM 675 CD LYS A 44 -10.746 7.982 -25.805 1.00 0.00 C ATOM 676 CE LYS A 44 -12.236 7.995 -26.173 1.00 0.00 C ATOM 677 NZ LYS A 44 -13.021 7.081 -25.325 1.00 0.00 N ATOM 0 H LYS A 44 -8.666 10.303 -24.108 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.931 10.732 -25.754 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.732 9.878 -22.852 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.114 9.659 -23.907 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.389 8.335 -24.174 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.890 7.563 -23.700 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.216 8.685 -26.448 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.339 6.992 -26.011 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.626 9.008 -26.072 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.354 7.711 -27.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.009 7.069 -25.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.624 6.122 -25.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.985 7.407 -24.338 1.00 0.00 H new ATOM 691 N LYS A 45 -11.986 12.844 -25.044 1.00 0.00 N ATOM 692 CA LYS A 45 -12.493 14.200 -24.872 1.00 0.00 C ATOM 693 C LYS A 45 -12.871 14.526 -23.425 1.00 0.00 C ATOM 694 O LYS A 45 -12.352 15.479 -22.851 1.00 0.00 O ATOM 695 CB LYS A 45 -13.699 14.414 -25.797 1.00 0.00 C ATOM 696 CG LYS A 45 -13.316 14.361 -27.283 1.00 0.00 C ATOM 697 CD LYS A 45 -14.492 14.753 -28.190 1.00 0.00 C ATOM 698 CE LYS A 45 -15.680 13.791 -28.056 1.00 0.00 C ATOM 699 NZ LYS A 45 -16.726 14.087 -29.051 1.00 0.00 N ATOM 0 H LYS A 45 -12.356 12.394 -25.881 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.685 14.882 -25.137 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.451 13.652 -25.591 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.155 15.379 -25.577 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.477 15.032 -27.466 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.981 13.355 -27.536 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.817 15.764 -27.943 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.157 14.770 -29.227 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.335 12.765 -28.183 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.099 13.865 -27.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.515 13.420 -28.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.071 15.058 -28.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.331 13.992 -30.008 1.00 0.00 H new ATOM 713 N GLU A 46 -13.802 13.766 -22.848 1.00 0.00 N ATOM 714 CA GLU A 46 -14.383 14.070 -21.547 1.00 0.00 C ATOM 715 C GLU A 46 -13.292 14.065 -20.472 1.00 0.00 C ATOM 716 O GLU A 46 -13.163 15.003 -19.686 1.00 0.00 O ATOM 717 CB GLU A 46 -15.496 13.061 -21.217 1.00 0.00 C ATOM 718 CG GLU A 46 -16.724 13.166 -22.141 1.00 0.00 C ATOM 719 CD GLU A 46 -16.474 12.734 -23.587 1.00 0.00 C ATOM 720 OE1 GLU A 46 -15.596 11.865 -23.787 1.00 0.00 O ATOM 721 OE2 GLU A 46 -17.145 13.302 -24.475 1.00 0.00 O ATOM 0 H GLU A 46 -14.174 12.918 -23.275 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.827 15.065 -21.574 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.089 12.052 -21.282 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.815 13.211 -20.186 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -17.526 12.555 -21.727 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.076 14.198 -22.140 1.00 0.00 H new ATOM 728 N GLU A 47 -12.498 12.994 -20.462 1.00 0.00 N ATOM 729 CA GLU A 47 -11.400 12.802 -19.532 1.00 0.00 C ATOM 730 C GLU A 47 -10.416 13.965 -19.659 1.00 0.00 C ATOM 731 O GLU A 47 -10.005 14.547 -18.659 1.00 0.00 O ATOM 732 CB GLU A 47 -10.710 11.456 -19.808 1.00 0.00 C ATOM 733 CG GLU A 47 -11.569 10.231 -19.438 1.00 0.00 C ATOM 734 CD GLU A 47 -12.838 10.054 -20.272 1.00 0.00 C ATOM 735 OE1 GLU A 47 -12.822 10.469 -21.453 1.00 0.00 O ATOM 736 OE2 GLU A 47 -13.813 9.513 -19.710 1.00 0.00 O ATOM 0 H GLU A 47 -12.608 12.221 -21.118 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.780 12.782 -18.511 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.451 11.401 -20.865 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.775 11.416 -19.248 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.958 9.334 -19.539 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.851 10.308 -18.388 1.00 0.00 H new ATOM 743 N ILE A 48 -10.049 14.315 -20.894 1.00 0.00 N ATOM 744 CA ILE A 48 -9.134 15.415 -21.163 1.00 0.00 C ATOM 745 C ILE A 48 -9.714 16.739 -20.670 1.00 0.00 C ATOM 746 O ILE A 48 -9.010 17.500 -20.014 1.00 0.00 O ATOM 747 CB ILE A 48 -8.777 15.436 -22.655 1.00 0.00 C ATOM 748 CG1 ILE A 48 -7.958 14.184 -23.011 1.00 0.00 C ATOM 749 CG2 ILE A 48 -8.024 16.712 -23.056 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.486 14.278 -22.598 1.00 0.00 C ATOM 0 H ILE A 48 -10.381 13.840 -21.733 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.208 15.266 -20.608 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.709 15.432 -23.221 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.408 13.316 -22.528 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.015 14.016 -24.086 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.794 16.679 -24.121 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.645 17.582 -22.846 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.097 16.782 -22.487 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.970 13.360 -22.880 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.020 15.126 -23.101 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.419 14.415 -21.519 1.00 0.00 H new ATOM 762 N LYS A 49 -10.983 17.029 -20.965 1.00 0.00 N ATOM 763 CA LYS A 49 -11.631 18.237 -20.472 1.00 0.00 C ATOM 764 C LYS A 49 -11.560 18.287 -18.944 1.00 0.00 C ATOM 765 O LYS A 49 -11.165 19.307 -18.377 1.00 0.00 O ATOM 766 CB LYS A 49 -13.077 18.308 -20.977 1.00 0.00 C ATOM 767 CG LYS A 49 -13.118 18.665 -22.468 1.00 0.00 C ATOM 768 CD LYS A 49 -14.553 18.555 -22.997 1.00 0.00 C ATOM 769 CE LYS A 49 -14.686 19.133 -24.411 1.00 0.00 C ATOM 770 NZ LYS A 49 -13.823 18.434 -25.380 1.00 0.00 N ATOM 0 H LYS A 49 -11.580 16.439 -21.545 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.105 19.111 -20.857 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.571 17.350 -20.814 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.630 19.053 -20.405 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.744 19.678 -22.618 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.464 17.997 -23.028 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.859 17.509 -23.002 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.230 19.082 -22.324 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.724 19.063 -24.735 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.428 20.192 -24.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.256 18.477 -26.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.889 18.891 -25.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.714 17.440 -25.094 1.00 0.00 H new ATOM 784 N LYS A 50 -11.923 17.189 -18.275 1.00 0.00 N ATOM 785 CA LYS A 50 -11.867 17.106 -16.823 1.00 0.00 C ATOM 786 C LYS A 50 -10.445 17.393 -16.325 1.00 0.00 C ATOM 787 O LYS A 50 -10.242 18.308 -15.529 1.00 0.00 O ATOM 788 CB LYS A 50 -12.394 15.735 -16.370 1.00 0.00 C ATOM 789 CG LYS A 50 -12.480 15.565 -14.846 1.00 0.00 C ATOM 790 CD LYS A 50 -13.369 16.633 -14.192 1.00 0.00 C ATOM 791 CE LYS A 50 -13.827 16.212 -12.790 1.00 0.00 C ATOM 792 NZ LYS A 50 -12.691 15.986 -11.879 1.00 0.00 N ATOM 0 H LYS A 50 -12.262 16.340 -18.727 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.508 17.867 -16.379 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.384 15.580 -16.798 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.746 14.958 -16.775 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.874 14.575 -14.614 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.478 15.617 -14.419 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.821 17.573 -14.128 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.241 16.814 -14.820 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.476 16.983 -12.375 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.420 15.300 -12.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.046 15.687 -10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.075 15.244 -12.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.148 16.867 -11.775 1.00 0.00 H new ATOM 806 N MET A 51 -9.465 16.629 -16.814 1.00 0.00 N ATOM 807 CA MET A 51 -8.054 16.767 -16.499 1.00 0.00 C ATOM 808 C MET A 51 -7.596 18.219 -16.658 1.00 0.00 C ATOM 809 O MET A 51 -7.120 18.835 -15.703 1.00 0.00 O ATOM 810 CB MET A 51 -7.311 15.779 -17.409 1.00 0.00 C ATOM 811 CG MET A 51 -5.790 15.806 -17.299 1.00 0.00 C ATOM 812 SD MET A 51 -4.942 16.903 -18.469 1.00 0.00 S ATOM 813 CE MET A 51 -3.236 16.409 -18.160 1.00 0.00 C ATOM 0 H MET A 51 -9.648 15.867 -17.467 1.00 0.00 H new ATOM 0 HA MET A 51 -7.839 16.528 -15.457 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.657 14.771 -17.181 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.587 15.985 -18.443 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.522 16.107 -16.286 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.415 14.792 -17.441 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.568 16.987 -18.799 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.987 16.593 -17.115 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.119 15.348 -18.379 1.00 0.00 H new ATOM 823 N ILE A 52 -7.773 18.780 -17.857 1.00 0.00 N ATOM 824 CA ILE A 52 -7.438 20.165 -18.146 1.00 0.00 C ATOM 825 C ILE A 52 -8.084 21.077 -17.107 1.00 0.00 C ATOM 826 O ILE A 52 -7.391 21.892 -16.509 1.00 0.00 O ATOM 827 CB ILE A 52 -7.827 20.525 -19.596 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.821 19.849 -20.548 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.850 22.044 -19.833 1.00 0.00 C ATOM 830 CD1 ILE A 52 -7.159 20.042 -22.029 1.00 0.00 C ATOM 0 H ILE A 52 -8.156 18.276 -18.657 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.360 20.310 -18.075 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.838 20.166 -19.786 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.825 20.249 -20.355 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.784 18.782 -20.328 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.129 22.247 -20.867 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.576 22.506 -19.164 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.861 22.458 -19.636 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.410 19.540 -22.642 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.141 19.617 -22.236 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.167 21.106 -22.265 1.00 0.00 H new ATOM 842 N SER A 53 -9.388 20.939 -16.860 1.00 0.00 N ATOM 843 CA SER A 53 -10.075 21.782 -15.891 1.00 0.00 C ATOM 844 C SER A 53 -9.447 21.677 -14.499 1.00 0.00 C ATOM 845 O SER A 53 -9.209 22.697 -13.858 1.00 0.00 O ATOM 846 CB SER A 53 -11.570 21.450 -15.856 1.00 0.00 C ATOM 847 OG SER A 53 -12.130 21.585 -17.148 1.00 0.00 O ATOM 0 H SER A 53 -9.985 20.251 -17.319 1.00 0.00 H new ATOM 0 HA SER A 53 -9.962 22.818 -16.211 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.716 20.433 -15.493 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.081 22.114 -15.159 1.00 0.00 H new ATOM 0 HG SER A 53 -11.872 20.816 -17.698 1.00 0.00 H new ATOM 853 N GLU A 54 -9.166 20.456 -14.031 1.00 0.00 N ATOM 854 CA GLU A 54 -8.524 20.245 -12.740 1.00 0.00 C ATOM 855 C GLU A 54 -7.180 20.977 -12.671 1.00 0.00 C ATOM 856 O GLU A 54 -6.889 21.633 -11.674 1.00 0.00 O ATOM 857 CB GLU A 54 -8.344 18.746 -12.468 1.00 0.00 C ATOM 858 CG GLU A 54 -9.686 18.055 -12.207 1.00 0.00 C ATOM 859 CD GLU A 54 -9.507 16.548 -12.052 1.00 0.00 C ATOM 860 OE1 GLU A 54 -9.214 15.901 -13.080 1.00 0.00 O ATOM 861 OE2 GLU A 54 -9.683 16.069 -10.910 1.00 0.00 O ATOM 0 H GLU A 54 -9.377 19.596 -14.536 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.170 20.659 -11.966 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.853 18.277 -13.321 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.690 18.608 -11.607 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.140 18.465 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.370 18.260 -13.030 1.00 0.00 H new ATOM 868 N ILE A 55 -6.354 20.857 -13.713 1.00 0.00 N ATOM 869 CA ILE A 55 -5.042 21.500 -13.740 1.00 0.00 C ATOM 870 C ILE A 55 -5.170 23.021 -13.908 1.00 0.00 C ATOM 871 O ILE A 55 -4.353 23.778 -13.381 1.00 0.00 O ATOM 872 CB ILE A 55 -4.180 20.870 -14.853 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.958 19.359 -14.647 1.00 0.00 C ATOM 874 CG2 ILE A 55 -2.826 21.581 -15.005 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.326 18.973 -13.303 1.00 0.00 C ATOM 0 H ILE A 55 -6.573 20.318 -14.551 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.545 21.333 -12.784 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.748 21.003 -15.774 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.918 18.850 -14.739 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.322 18.988 -15.450 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.252 21.104 -15.800 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.991 22.629 -15.255 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.273 21.515 -14.068 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.210 17.890 -13.253 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.349 19.447 -13.211 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.969 19.307 -12.489 1.00 0.00 H new ATOM 887 N ASP A 56 -6.167 23.483 -14.665 1.00 0.00 N ATOM 888 CA ASP A 56 -6.287 24.875 -15.065 1.00 0.00 C ATOM 889 C ASP A 56 -6.809 25.734 -13.912 1.00 0.00 C ATOM 890 O ASP A 56 -7.962 26.160 -13.912 1.00 0.00 O ATOM 891 CB ASP A 56 -7.175 24.977 -16.312 1.00 0.00 C ATOM 892 CG ASP A 56 -7.285 26.407 -16.827 1.00 0.00 C ATOM 893 OD1 ASP A 56 -6.576 27.277 -16.277 1.00 0.00 O ATOM 894 OD2 ASP A 56 -8.070 26.612 -17.777 1.00 0.00 O ATOM 0 H ASP A 56 -6.918 22.890 -15.018 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.301 25.263 -15.320 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.769 24.340 -17.098 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.171 24.599 -16.079 1.00 0.00 H new ATOM 899 N LYS A 57 -5.937 26.025 -12.948 1.00 0.00 N ATOM 900 CA LYS A 57 -6.233 26.941 -11.857 1.00 0.00 C ATOM 901 C LYS A 57 -6.376 28.378 -12.375 1.00 0.00 C ATOM 902 O LYS A 57 -7.314 29.081 -12.007 1.00 0.00 O ATOM 903 CB LYS A 57 -5.132 26.868 -10.787 1.00 0.00 C ATOM 904 CG LYS A 57 -4.778 25.450 -10.313 1.00 0.00 C ATOM 905 CD LYS A 57 -6.005 24.630 -9.898 1.00 0.00 C ATOM 906 CE LYS A 57 -5.555 23.322 -9.238 1.00 0.00 C ATOM 907 NZ LYS A 57 -6.700 22.435 -8.975 1.00 0.00 N ATOM 0 H LYS A 57 -4.999 25.627 -12.905 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.181 26.643 -11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.231 27.338 -11.182 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.446 27.455 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.252 24.927 -11.112 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.091 25.516 -9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.621 25.204 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.622 24.415 -10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.839 22.814 -9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.040 23.542 -8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.424 21.706 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.490 22.992 -8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.997 21.979 -9.861 1.00 0.00 H new ATOM 921 N ASP A 58 -5.409 28.823 -13.185 1.00 0.00 N ATOM 922 CA ASP A 58 -5.252 30.215 -13.610 1.00 0.00 C ATOM 923 C ASP A 58 -5.127 30.358 -15.128 1.00 0.00 C ATOM 924 O ASP A 58 -5.465 31.404 -15.679 1.00 0.00 O ATOM 925 CB ASP A 58 -4.031 30.836 -12.914 1.00 0.00 C ATOM 926 CG ASP A 58 -2.716 30.178 -13.334 1.00 0.00 C ATOM 927 OD1 ASP A 58 -2.160 30.609 -14.367 1.00 0.00 O ATOM 928 OD2 ASP A 58 -2.294 29.246 -12.615 1.00 0.00 O ATOM 0 H ASP A 58 -4.695 28.206 -13.573 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.157 30.748 -13.317 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.989 31.901 -13.143 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.149 30.747 -11.834 1.00 0.00 H new ATOM 933 N GLY A 59 -4.629 29.328 -15.815 1.00 0.00 N ATOM 934 CA GLY A 59 -4.292 29.394 -17.231 1.00 0.00 C ATOM 935 C GLY A 59 -5.478 29.716 -18.154 1.00 0.00 C ATOM 936 O GLY A 59 -5.276 30.111 -19.302 1.00 0.00 O ATOM 0 H GLY A 59 -4.448 28.416 -15.395 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.521 30.151 -17.373 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.861 28.440 -17.534 1.00 0.00 H new ATOM 940 N SER A 60 -6.713 29.559 -17.671 1.00 0.00 N ATOM 941 CA SER A 60 -7.935 30.011 -18.322 1.00 0.00 C ATOM 942 C SER A 60 -8.004 29.575 -19.788 1.00 0.00 C ATOM 943 O SER A 60 -8.035 30.413 -20.687 1.00 0.00 O ATOM 944 CB SER A 60 -8.047 31.533 -18.179 1.00 0.00 C ATOM 945 OG SER A 60 -7.967 31.899 -16.813 1.00 0.00 O ATOM 0 H SER A 60 -6.891 29.095 -16.780 1.00 0.00 H new ATOM 0 HA SER A 60 -8.786 29.541 -17.829 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.250 32.019 -18.741 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.991 31.878 -18.602 1.00 0.00 H new ATOM 0 HG SER A 60 -7.056 31.745 -16.486 1.00 0.00 H new ATOM 951 N GLY A 61 -8.018 28.263 -20.030 1.00 0.00 N ATOM 952 CA GLY A 61 -8.041 27.695 -21.372 1.00 0.00 C ATOM 953 C GLY A 61 -6.638 27.301 -21.832 1.00 0.00 C ATOM 954 O GLY A 61 -6.492 26.354 -22.607 1.00 0.00 O ATOM 0 H GLY A 61 -8.014 27.561 -19.290 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.690 26.820 -21.388 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.465 28.419 -22.068 1.00 0.00 H new ATOM 958 N THR A 62 -5.608 28.005 -21.351 1.00 0.00 N ATOM 959 CA THR A 62 -4.225 27.598 -21.543 1.00 0.00 C ATOM 960 C THR A 62 -3.706 26.974 -20.243 1.00 0.00 C ATOM 961 O THR A 62 -4.422 26.944 -19.242 1.00 0.00 O ATOM 962 CB THR A 62 -3.376 28.783 -22.036 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.237 29.788 -21.049 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.984 29.429 -23.287 1.00 0.00 C ATOM 0 H THR A 62 -5.716 28.869 -20.820 1.00 0.00 H new ATOM 0 HA THR A 62 -4.153 26.839 -22.322 1.00 0.00 H new ATOM 0 HB THR A 62 -2.396 28.367 -22.269 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.074 29.870 -20.546 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.358 30.262 -23.607 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.042 28.690 -24.086 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.985 29.794 -23.058 1.00 0.00 H new ATOM 972 N ILE A 63 -2.475 26.461 -20.265 1.00 0.00 N ATOM 973 CA ILE A 63 -1.771 25.884 -19.132 1.00 0.00 C ATOM 974 C ILE A 63 -0.432 26.619 -19.017 1.00 0.00 C ATOM 975 O ILE A 63 0.374 26.596 -19.950 1.00 0.00 O ATOM 976 CB ILE A 63 -1.571 24.371 -19.354 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.876 23.617 -19.672 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.860 23.726 -18.156 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.895 23.594 -18.527 1.00 0.00 C ATOM 0 H ILE A 63 -1.919 26.438 -21.120 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.337 25.998 -18.207 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.939 24.283 -20.238 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.341 24.074 -20.545 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.630 22.590 -19.943 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.732 22.659 -18.340 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.117 24.190 -18.019 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.459 23.870 -17.257 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.782 23.042 -18.840 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.454 23.108 -17.657 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.175 24.615 -18.269 1.00 0.00 H new ATOM 991 N ASP A 64 -0.200 27.296 -17.892 1.00 0.00 N ATOM 992 CA ASP A 64 1.051 27.981 -17.598 1.00 0.00 C ATOM 993 C ASP A 64 2.152 26.974 -17.261 1.00 0.00 C ATOM 994 O ASP A 64 1.864 25.849 -16.853 1.00 0.00 O ATOM 995 CB ASP A 64 0.822 28.962 -16.438 1.00 0.00 C ATOM 996 CG ASP A 64 2.111 29.672 -16.040 1.00 0.00 C ATOM 997 OD1 ASP A 64 2.497 30.598 -16.784 1.00 0.00 O ATOM 998 OD2 ASP A 64 2.719 29.231 -15.042 1.00 0.00 O ATOM 0 H ASP A 64 -0.892 27.383 -17.148 1.00 0.00 H new ATOM 0 HA ASP A 64 1.378 28.538 -18.476 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.074 29.700 -16.727 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.423 28.423 -15.579 1.00 0.00 H new ATOM 1003 N PHE A 65 3.416 27.390 -17.395 1.00 0.00 N ATOM 1004 CA PHE A 65 4.569 26.576 -17.027 1.00 0.00 C ATOM 1005 C PHE A 65 4.411 25.978 -15.629 1.00 0.00 C ATOM 1006 O PHE A 65 4.595 24.778 -15.461 1.00 0.00 O ATOM 1007 CB PHE A 65 5.864 27.390 -17.150 1.00 0.00 C ATOM 1008 CG PHE A 65 7.110 26.646 -16.701 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.409 25.378 -17.234 1.00 0.00 C ATOM 1010 CD2 PHE A 65 7.950 27.200 -15.715 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.524 24.661 -16.766 1.00 0.00 C ATOM 1012 CE2 PHE A 65 9.082 26.495 -15.273 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.364 25.219 -15.790 1.00 0.00 C ATOM 0 H PHE A 65 3.664 28.308 -17.765 1.00 0.00 H new ATOM 0 HA PHE A 65 4.629 25.740 -17.724 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.991 27.696 -18.189 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.765 28.301 -16.559 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.781 24.955 -18.004 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.723 28.170 -15.298 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.735 23.677 -17.159 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.737 26.934 -14.535 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.224 24.670 -15.437 1.00 0.00 H new ATOM 1023 N GLU A 66 4.035 26.784 -14.632 1.00 0.00 N ATOM 1024 CA GLU A 66 3.864 26.301 -13.266 1.00 0.00 C ATOM 1025 C GLU A 66 2.798 25.200 -13.205 1.00 0.00 C ATOM 1026 O GLU A 66 3.021 24.143 -12.613 1.00 0.00 O ATOM 1027 CB GLU A 66 3.514 27.467 -12.333 1.00 0.00 C ATOM 1028 CG GLU A 66 4.639 28.511 -12.282 1.00 0.00 C ATOM 1029 CD GLU A 66 4.308 29.639 -11.309 1.00 0.00 C ATOM 1030 OE1 GLU A 66 3.409 30.436 -11.652 1.00 0.00 O ATOM 1031 OE2 GLU A 66 4.956 29.680 -10.241 1.00 0.00 O ATOM 0 H GLU A 66 3.843 27.779 -14.750 1.00 0.00 H new ATOM 0 HA GLU A 66 4.805 25.865 -12.930 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.593 27.941 -12.672 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.325 27.086 -11.329 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.570 28.030 -11.981 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.800 28.923 -13.278 1.00 0.00 H new ATOM 1038 N GLU A 67 1.639 25.443 -13.823 1.00 0.00 N ATOM 1039 CA GLU A 67 0.550 24.475 -13.874 1.00 0.00 C ATOM 1040 C GLU A 67 1.039 23.174 -14.527 1.00 0.00 C ATOM 1041 O GLU A 67 0.819 22.087 -13.996 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.653 25.069 -14.623 1.00 0.00 C ATOM 1043 CG GLU A 67 -1.273 26.271 -13.892 1.00 0.00 C ATOM 1044 CD GLU A 67 -2.401 26.908 -14.705 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -2.116 27.288 -15.860 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -3.526 27.019 -14.173 1.00 0.00 O ATOM 0 H GLU A 67 1.433 26.320 -14.302 1.00 0.00 H new ATOM 0 HA GLU A 67 0.224 24.240 -12.861 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.338 25.378 -15.620 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.412 24.297 -14.753 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.659 25.949 -12.925 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.501 27.015 -13.696 1.00 0.00 H new ATOM 1053 N PHE A 68 1.731 23.289 -15.662 1.00 0.00 N ATOM 1054 CA PHE A 68 2.314 22.152 -16.363 1.00 0.00 C ATOM 1055 C PHE A 68 3.289 21.385 -15.462 1.00 0.00 C ATOM 1056 O PHE A 68 3.202 20.166 -15.352 1.00 0.00 O ATOM 1057 CB PHE A 68 3.000 22.631 -17.645 1.00 0.00 C ATOM 1058 CG PHE A 68 3.697 21.528 -18.413 1.00 0.00 C ATOM 1059 CD1 PHE A 68 2.945 20.601 -19.157 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.103 21.442 -18.403 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.593 19.579 -19.873 1.00 0.00 C ATOM 1062 CE2 PHE A 68 5.750 20.459 -19.170 1.00 0.00 C ATOM 1063 CZ PHE A 68 4.996 19.507 -19.874 1.00 0.00 C ATOM 0 H PHE A 68 1.902 24.183 -16.122 1.00 0.00 H new ATOM 0 HA PHE A 68 1.516 21.460 -16.633 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.257 23.097 -18.291 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.729 23.400 -17.390 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.868 20.674 -19.178 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.683 22.131 -17.806 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.013 18.851 -20.421 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.829 20.436 -19.218 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.495 18.718 -20.417 1.00 0.00 H new ATOM 1073 N LEU A 69 4.215 22.092 -14.811 1.00 0.00 N ATOM 1074 CA LEU A 69 5.187 21.502 -13.899 1.00 0.00 C ATOM 1075 C LEU A 69 4.441 20.731 -12.803 1.00 0.00 C ATOM 1076 O LEU A 69 4.763 19.579 -12.512 1.00 0.00 O ATOM 1077 CB LEU A 69 6.094 22.606 -13.323 1.00 0.00 C ATOM 1078 CG LEU A 69 7.535 22.162 -13.015 1.00 0.00 C ATOM 1079 CD1 LEU A 69 8.308 23.343 -12.417 1.00 0.00 C ATOM 1080 CD2 LEU A 69 7.613 20.970 -12.056 1.00 0.00 C ATOM 0 H LEU A 69 4.309 23.103 -14.906 1.00 0.00 H new ATOM 0 HA LEU A 69 5.830 20.797 -14.426 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.127 23.435 -14.030 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.642 22.987 -12.407 1.00 0.00 H new ATOM 0 HG LEU A 69 7.975 21.838 -13.958 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.330 23.035 -12.197 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.323 24.167 -13.131 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.821 23.669 -11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.657 20.710 -11.883 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.143 21.234 -11.109 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.095 20.117 -12.493 1.00 0.00 H new ATOM 1092 N THR A 70 3.419 21.357 -12.214 1.00 0.00 N ATOM 1093 CA THR A 70 2.587 20.729 -11.196 1.00 0.00 C ATOM 1094 C THR A 70 1.960 19.440 -11.739 1.00 0.00 C ATOM 1095 O THR A 70 2.089 18.388 -11.119 1.00 0.00 O ATOM 1096 CB THR A 70 1.531 21.718 -10.679 1.00 0.00 C ATOM 1097 OG1 THR A 70 2.155 22.921 -10.277 1.00 0.00 O ATOM 1098 CG2 THR A 70 0.785 21.150 -9.468 1.00 0.00 C ATOM 0 H THR A 70 3.148 22.316 -12.433 1.00 0.00 H new ATOM 0 HA THR A 70 3.210 20.452 -10.346 1.00 0.00 H new ATOM 0 HB THR A 70 0.826 21.898 -11.491 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.399 23.443 -11.069 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.045 21.873 -9.125 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.284 20.224 -9.751 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.494 20.949 -8.665 1.00 0.00 H new ATOM 1106 N MET A 71 1.300 19.515 -12.900 1.00 0.00 N ATOM 1107 CA MET A 71 0.687 18.370 -13.565 1.00 0.00 C ATOM 1108 C MET A 71 1.709 17.243 -13.727 1.00 0.00 C ATOM 1109 O MET A 71 1.472 16.116 -13.296 1.00 0.00 O ATOM 1110 CB MET A 71 0.099 18.835 -14.906 1.00 0.00 C ATOM 1111 CG MET A 71 -0.678 17.757 -15.677 1.00 0.00 C ATOM 1112 SD MET A 71 0.255 16.427 -16.487 1.00 0.00 S ATOM 1113 CE MET A 71 1.292 17.362 -17.635 1.00 0.00 C ATOM 0 H MET A 71 1.177 20.390 -13.409 1.00 0.00 H new ATOM 0 HA MET A 71 -0.126 17.966 -12.962 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.565 19.680 -14.722 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.911 19.199 -15.536 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.380 17.294 -14.983 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.271 18.259 -16.442 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.745 16.680 -18.355 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.681 18.094 -18.164 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.076 17.877 -17.080 1.00 0.00 H new ATOM 1123 N MET A 72 2.853 17.563 -14.335 1.00 0.00 N ATOM 1124 CA MET A 72 3.927 16.620 -14.583 1.00 0.00 C ATOM 1125 C MET A 72 4.338 15.950 -13.270 1.00 0.00 C ATOM 1126 O MET A 72 4.330 14.726 -13.163 1.00 0.00 O ATOM 1127 CB MET A 72 5.094 17.359 -15.258 1.00 0.00 C ATOM 1128 CG MET A 72 6.173 16.403 -15.777 1.00 0.00 C ATOM 1129 SD MET A 72 5.664 15.351 -17.160 1.00 0.00 S ATOM 1130 CE MET A 72 7.191 14.424 -17.421 1.00 0.00 C ATOM 0 H MET A 72 3.055 18.504 -14.672 1.00 0.00 H new ATOM 0 HA MET A 72 3.599 15.829 -15.257 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.712 17.954 -16.087 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.540 18.053 -14.546 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.038 16.989 -16.086 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.497 15.765 -14.955 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.055 13.723 -18.244 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.999 15.115 -17.662 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.442 13.874 -16.514 1.00 0.00 H new ATOM 1140 N THR A 73 4.667 16.755 -12.259 1.00 0.00 N ATOM 1141 CA THR A 73 5.041 16.264 -10.939 1.00 0.00 C ATOM 1142 C THR A 73 3.965 15.315 -10.399 1.00 0.00 C ATOM 1143 O THR A 73 4.274 14.213 -9.954 1.00 0.00 O ATOM 1144 CB THR A 73 5.290 17.449 -9.991 1.00 0.00 C ATOM 1145 OG1 THR A 73 6.247 18.321 -10.559 1.00 0.00 O ATOM 1146 CG2 THR A 73 5.836 16.985 -8.637 1.00 0.00 C ATOM 0 H THR A 73 4.680 17.772 -12.337 1.00 0.00 H new ATOM 0 HA THR A 73 5.968 15.696 -11.012 1.00 0.00 H new ATOM 0 HB THR A 73 4.333 17.950 -9.844 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.811 18.902 -11.217 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.999 17.850 -7.995 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.118 16.314 -8.166 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.780 16.460 -8.786 1.00 0.00 H new ATOM 1154 N ALA A 74 2.698 15.730 -10.469 1.00 0.00 N ATOM 1155 CA ALA A 74 1.567 14.977 -9.946 1.00 0.00 C ATOM 1156 C ALA A 74 1.394 13.601 -10.600 1.00 0.00 C ATOM 1157 O ALA A 74 0.642 12.782 -10.077 1.00 0.00 O ATOM 1158 CB ALA A 74 0.288 15.809 -10.075 1.00 0.00 C ATOM 0 H ALA A 74 2.430 16.615 -10.899 1.00 0.00 H new ATOM 0 HA ALA A 74 1.774 14.780 -8.894 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.556 15.242 -9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.398 16.735 -9.510 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.111 16.044 -11.125 1.00 0.00 H new ATOM 1164 N LYS A 75 2.078 13.312 -11.716 1.00 0.00 N ATOM 1165 CA LYS A 75 2.089 11.963 -12.263 1.00 0.00 C ATOM 1166 C LYS A 75 2.680 10.964 -11.258 1.00 0.00 C ATOM 1167 O LYS A 75 2.286 9.800 -11.265 1.00 0.00 O ATOM 1168 CB LYS A 75 2.847 11.915 -13.594 1.00 0.00 C ATOM 1169 CG LYS A 75 2.169 12.795 -14.656 1.00 0.00 C ATOM 1170 CD LYS A 75 2.974 12.847 -15.961 1.00 0.00 C ATOM 1171 CE LYS A 75 3.182 11.476 -16.619 1.00 0.00 C ATOM 1172 NZ LYS A 75 1.911 10.757 -16.814 1.00 0.00 N ATOM 0 H LYS A 75 2.623 13.991 -12.247 1.00 0.00 H new ATOM 0 HA LYS A 75 1.056 11.673 -12.455 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.873 12.250 -13.443 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.897 10.886 -13.949 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.170 12.410 -14.862 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.047 13.805 -14.265 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.463 13.503 -16.666 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.948 13.293 -15.758 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.675 11.608 -17.582 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.847 10.874 -16.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.080 9.901 -17.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.519 10.489 -15.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.236 11.373 -17.311 1.00 0.00 H new ATOM 1186 N MET A 76 3.614 11.408 -10.406 1.00 0.00 N ATOM 1187 CA MET A 76 4.120 10.615 -9.289 1.00 0.00 C ATOM 1188 C MET A 76 3.520 11.114 -7.970 1.00 0.00 C ATOM 1189 O MET A 76 3.452 10.290 -7.032 1.00 0.00 O ATOM 1190 CB MET A 76 5.658 10.612 -9.273 1.00 0.00 C ATOM 1191 CG MET A 76 6.284 12.010 -9.222 1.00 0.00 C ATOM 1192 SD MET A 76 8.072 12.022 -8.948 1.00 0.00 S ATOM 1193 CE MET A 76 8.360 13.803 -8.891 1.00 0.00 C ATOM 1194 OXT MET A 76 3.153 12.309 -7.911 1.00 0.00 O ATOM 0 H MET A 76 4.039 12.333 -10.477 1.00 0.00 H new ATOM 0 HA MET A 76 3.807 9.579 -9.416 1.00 0.00 H new ATOM 0 HB2 MET A 76 6.001 10.040 -8.411 1.00 0.00 H new ATOM 0 HB3 MET A 76 6.019 10.096 -10.162 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.069 12.525 -10.158 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.804 12.581 -8.427 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.420 13.995 -8.727 1.00 0.00 H new ATOM 0 HE2 MET A 76 8.052 14.252 -9.835 1.00 0.00 H new ATOM 0 HE3 MET A 76 7.782 14.239 -8.076 1.00 0.00 H new TER 1204 MET A 76