USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 499 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 NoAdj-H: A 141 HIS HD1 : A 141 HIS ND1 : A 901 ZNZN :(H bumps) USER MOD Set 1.1: A 130 GLN :FLIP amide:sc= -0.0597 F(o=-2.2,f=-0.86) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.8 K(o=-0.86,f=-4.4!) USER MOD Single : A 106 SER OG : rot 180:sc= -0.225 USER MOD Single : A 108 SER OG : rot -67:sc= 0.539 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.0339 F(o=-0.69,f=-0.034) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -57:sc= 0.941 USER MOD Single : A 121 SER OG : rot 180:sc= -0.299 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl -123:sc= 0 (180deg=-0.00751) USER MOD Single : A 125 ASN : amide:sc= -3.33! C(o=-3.3!,f=-7.2!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl -109:sc= -1.24 (180deg=-5.32!) USER MOD Single : A 134 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.002) USER MOD Single : A 140 GLN : amide:sc= -1.32 K(o=-1.3,f=-3!) USER MOD Single : A 143 ASN : amide:sc= -0.0819 X(o=-0.082,f=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 105 5.430 17.414 7.864 1.00 0.00 N ATOM 2 CA GLY A 105 5.628 17.966 6.537 1.00 0.00 C ATOM 3 C GLY A 105 5.466 16.926 5.447 1.00 0.00 C ATOM 4 O GLY A 105 5.442 15.727 5.722 1.00 0.00 O ATOM 0 HA2 GLY A 105 4.915 18.774 6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.625 18.402 6.473 1.00 0.00 H new ATOM 8 N SER A 106 5.353 17.386 4.205 1.00 0.00 N ATOM 9 CA SER A 106 5.186 16.487 3.069 1.00 0.00 C ATOM 10 C SER A 106 5.694 17.135 1.784 1.00 0.00 C ATOM 11 O SER A 106 4.979 17.901 1.138 1.00 0.00 O ATOM 12 CB SER A 106 3.715 16.098 2.911 1.00 0.00 C ATOM 13 OG SER A 106 3.170 15.654 4.141 1.00 0.00 O ATOM 0 H SER A 106 5.374 18.376 3.960 1.00 0.00 H new ATOM 0 HA SER A 106 5.773 15.589 3.259 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.147 16.953 2.546 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.622 15.310 2.163 1.00 0.00 H new ATOM 0 HG SER A 106 2.229 15.413 4.014 1.00 0.00 H new ATOM 19 N ASP A 107 6.932 16.821 1.420 1.00 0.00 N ATOM 20 CA ASP A 107 7.537 17.370 0.212 1.00 0.00 C ATOM 21 C ASP A 107 7.637 16.307 -0.878 1.00 0.00 C ATOM 22 O ASP A 107 7.567 16.616 -2.068 1.00 0.00 O ATOM 23 CB ASP A 107 8.925 17.933 0.521 1.00 0.00 C ATOM 24 CG ASP A 107 9.784 16.959 1.303 1.00 0.00 C ATOM 25 OD1 ASP A 107 9.725 16.983 2.550 1.00 0.00 O ATOM 26 OD2 ASP A 107 10.514 16.171 0.667 1.00 0.00 O ATOM 0 H ASP A 107 7.537 16.189 1.944 1.00 0.00 H new ATOM 0 HA ASP A 107 6.899 18.176 -0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 107 9.427 18.187 -0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.821 18.858 1.089 1.00 0.00 H new ATOM 31 N SER A 108 7.801 15.055 -0.463 1.00 0.00 N ATOM 32 CA SER A 108 7.916 13.947 -1.404 1.00 0.00 C ATOM 33 C SER A 108 6.642 13.108 -1.413 1.00 0.00 C ATOM 34 O SER A 108 6.318 12.461 -2.409 1.00 0.00 O ATOM 35 CB SER A 108 9.116 13.069 -1.046 1.00 0.00 C ATOM 36 OG SER A 108 9.632 13.406 0.230 1.00 0.00 O ATOM 0 H SER A 108 7.857 14.783 0.518 1.00 0.00 H new ATOM 0 HA SER A 108 8.064 14.363 -2.401 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.819 12.020 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.895 13.187 -1.799 1.00 0.00 H new ATOM 0 HG SER A 108 10.020 14.305 0.199 1.00 0.00 H new ATOM 42 N PHE A 109 5.922 13.124 -0.295 1.00 0.00 N ATOM 43 CA PHE A 109 4.684 12.365 -0.173 1.00 0.00 C ATOM 44 C PHE A 109 3.595 12.951 -1.066 1.00 0.00 C ATOM 45 O PHE A 109 2.863 13.853 -0.659 1.00 0.00 O ATOM 46 CB PHE A 109 4.212 12.350 1.283 1.00 0.00 C ATOM 47 CG PHE A 109 4.956 11.371 2.145 1.00 0.00 C ATOM 48 CD1 PHE A 109 5.041 10.036 1.785 1.00 0.00 C ATOM 49 CD2 PHE A 109 5.571 11.786 3.315 1.00 0.00 C ATOM 50 CE1 PHE A 109 5.726 9.133 2.576 1.00 0.00 C ATOM 51 CE2 PHE A 109 6.258 10.888 4.110 1.00 0.00 C ATOM 52 CZ PHE A 109 6.334 9.559 3.740 1.00 0.00 C ATOM 0 H PHE A 109 6.175 13.654 0.539 1.00 0.00 H new ATOM 0 HA PHE A 109 4.881 11.343 -0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 109 4.324 13.350 1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 109 3.149 12.110 1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.567 9.697 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.513 12.823 3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.786 8.095 2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.735 11.225 5.019 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.868 8.855 4.360 1.00 0.00 H new ATOM 62 N GLN A 110 3.495 12.432 -2.286 1.00 0.00 N ATOM 63 CA GLN A 110 2.497 12.905 -3.238 1.00 0.00 C ATOM 64 C GLN A 110 1.086 12.683 -2.703 1.00 0.00 C ATOM 65 O GLN A 110 0.839 11.795 -1.886 1.00 0.00 O ATOM 66 CB GLN A 110 2.665 12.193 -4.581 1.00 0.00 C ATOM 67 CG GLN A 110 4.018 12.431 -5.231 1.00 0.00 C ATOM 68 CD GLN A 110 4.110 13.783 -5.910 1.00 0.00 C ATOM 69 OE1 GLN A 110 4.247 14.837 -5.113 1.00 0.00 O flip ATOM 70 NE2 GLN A 110 4.058 13.880 -7.136 1.00 0.00 N flip ATOM 0 H GLN A 110 4.093 11.684 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 110 2.647 13.975 -3.382 1.00 0.00 H new ATOM 0 HB2 GLN A 110 2.525 11.122 -4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.881 12.527 -5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 110 4.799 12.355 -4.474 1.00 0.00 H new ATOM 0 HG3 GLN A 110 4.207 11.647 -5.964 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.952 13.043 -7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.121 14.797 -7.578 1.00 0.00 H new ATOM 79 N PRO A 111 0.138 13.507 -3.173 1.00 0.00 N ATOM 80 CA PRO A 111 -1.264 13.419 -2.756 1.00 0.00 C ATOM 81 C PRO A 111 -1.951 12.166 -3.289 1.00 0.00 C ATOM 82 O PRO A 111 -2.953 11.714 -2.736 1.00 0.00 O ATOM 83 CB PRO A 111 -1.895 14.674 -3.365 1.00 0.00 C ATOM 84 CG PRO A 111 -1.031 15.003 -4.533 1.00 0.00 C ATOM 85 CD PRO A 111 0.362 14.587 -4.149 1.00 0.00 C ATOM 0 HA PRO A 111 -1.363 13.358 -1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.924 14.490 -3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -1.919 15.494 -2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.364 14.474 -5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -1.071 16.068 -4.760 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.929 14.238 -5.012 1.00 0.00 H new ATOM 0 HD3 PRO A 111 0.922 15.414 -3.712 1.00 0.00 H new ATOM 93 N GLU A 112 -1.404 11.610 -4.365 1.00 0.00 N ATOM 94 CA GLU A 112 -1.965 10.409 -4.972 1.00 0.00 C ATOM 95 C GLU A 112 -0.980 9.246 -4.890 1.00 0.00 C ATOM 96 O GLU A 112 -1.367 8.083 -4.994 1.00 0.00 O ATOM 97 CB GLU A 112 -2.337 10.674 -6.433 1.00 0.00 C ATOM 98 CG GLU A 112 -3.759 11.174 -6.618 1.00 0.00 C ATOM 99 CD GLU A 112 -3.835 12.683 -6.750 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.266 13.224 -7.721 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.463 13.323 -5.881 1.00 0.00 O ATOM 0 H GLU A 112 -0.574 11.972 -4.834 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.865 10.141 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.646 11.408 -6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.207 9.755 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.189 10.713 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.365 10.856 -5.769 1.00 0.00 H new ATOM 108 N ALA A 113 0.295 9.571 -4.703 1.00 0.00 N ATOM 109 CA ALA A 113 1.335 8.555 -4.605 1.00 0.00 C ATOM 110 C ALA A 113 2.044 8.623 -3.256 1.00 0.00 C ATOM 111 O ALA A 113 3.044 9.325 -3.102 1.00 0.00 O ATOM 112 CB ALA A 113 2.338 8.715 -5.738 1.00 0.00 C ATOM 0 H ALA A 113 0.632 10.530 -4.616 1.00 0.00 H new ATOM 0 HA ALA A 113 0.861 7.577 -4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.109 7.949 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.826 8.609 -6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.798 9.701 -5.680 1.00 0.00 H new ATOM 118 N LYS A 114 1.519 7.890 -2.280 1.00 0.00 N ATOM 119 CA LYS A 114 2.101 7.866 -0.943 1.00 0.00 C ATOM 120 C LYS A 114 2.506 6.448 -0.551 1.00 0.00 C ATOM 121 O LYS A 114 1.654 5.583 -0.345 1.00 0.00 O ATOM 122 CB LYS A 114 1.108 8.425 0.078 1.00 0.00 C ATOM 123 CG LYS A 114 1.538 8.221 1.520 1.00 0.00 C ATOM 124 CD LYS A 114 0.773 9.132 2.465 1.00 0.00 C ATOM 125 CE LYS A 114 1.303 10.557 2.415 1.00 0.00 C ATOM 126 NZ LYS A 114 0.344 11.526 3.015 1.00 0.00 N ATOM 0 H LYS A 114 0.691 7.304 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 114 2.994 8.491 -0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.974 9.491 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.138 7.951 -0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.376 7.181 1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.607 8.414 1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.285 9.126 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.850 8.749 3.483 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.253 10.610 2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 114 1.501 10.835 1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.741 12.486 2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.555 11.494 2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.175 11.276 4.010 1.00 0.00 H new ATOM 140 N VAL A 115 3.811 6.217 -0.448 1.00 0.00 N ATOM 141 CA VAL A 115 4.328 4.905 -0.078 1.00 0.00 C ATOM 142 C VAL A 115 4.286 4.704 1.432 1.00 0.00 C ATOM 143 O VAL A 115 5.046 5.328 2.173 1.00 0.00 O ATOM 144 CB VAL A 115 5.775 4.713 -0.571 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.237 3.285 -0.326 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.888 5.073 -2.044 1.00 0.00 C ATOM 0 H VAL A 115 4.529 6.921 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 115 3.687 4.165 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 115 6.425 5.382 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.261 3.168 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.195 3.067 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.586 2.595 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.917 4.931 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.227 4.431 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.601 6.115 -2.187 1.00 0.00 H new ATOM 156 N ARG A 116 3.393 3.828 1.882 1.00 0.00 N ATOM 157 CA ARG A 116 3.251 3.545 3.305 1.00 0.00 C ATOM 158 C ARG A 116 3.217 2.041 3.559 1.00 0.00 C ATOM 159 O ARG A 116 2.154 1.420 3.534 1.00 0.00 O ATOM 160 CB ARG A 116 1.979 4.194 3.852 1.00 0.00 C ATOM 161 CG ARG A 116 2.184 5.619 4.340 1.00 0.00 C ATOM 162 CD ARG A 116 2.022 5.720 5.849 1.00 0.00 C ATOM 163 NE ARG A 116 1.667 7.072 6.272 1.00 0.00 N ATOM 164 CZ ARG A 116 1.292 7.380 7.509 1.00 0.00 C ATOM 165 NH1 ARG A 116 1.224 6.437 8.439 1.00 0.00 N ATOM 166 NH2 ARG A 116 0.984 8.633 7.817 1.00 0.00 N ATOM 0 H ARG A 116 2.757 3.302 1.282 1.00 0.00 H new ATOM 0 HA ARG A 116 4.115 3.964 3.821 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.216 4.192 3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.597 3.589 4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.179 5.962 4.056 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.467 6.279 3.851 1.00 0.00 H new ATOM 0 HD2 ARG A 116 1.251 5.023 6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 116 2.951 5.421 6.334 1.00 0.00 H new ATOM 0 HE ARG A 116 1.709 7.820 5.580 1.00 0.00 H new ATOM 0 HH11 ARG A 116 1.460 5.473 8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 116 0.936 6.676 9.388 1.00 0.00 H new ATOM 0 HH21 ARG A 116 1.035 9.361 7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 116 0.696 8.869 8.767 1.00 0.00 H new ATOM 180 N CYS A 117 4.387 1.460 3.804 1.00 0.00 N ATOM 181 CA CYS A 117 4.492 0.029 4.061 1.00 0.00 C ATOM 182 C CYS A 117 4.880 -0.235 5.513 1.00 0.00 C ATOM 183 O CYS A 117 5.464 0.622 6.176 1.00 0.00 O ATOM 184 CB CYS A 117 5.521 -0.605 3.123 1.00 0.00 C ATOM 185 SG CYS A 117 5.445 -2.424 3.056 1.00 0.00 S ATOM 0 H CYS A 117 5.276 1.959 3.830 1.00 0.00 H new ATOM 0 HA CYS A 117 3.517 -0.421 3.876 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.374 -0.209 2.118 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.520 -0.305 3.441 1.00 0.00 H new ATOM 190 N ILE A 118 4.552 -1.428 6.000 1.00 0.00 N ATOM 191 CA ILE A 118 4.867 -1.805 7.372 1.00 0.00 C ATOM 192 C ILE A 118 6.368 -1.740 7.629 1.00 0.00 C ATOM 193 O ILE A 118 6.809 -1.613 8.772 1.00 0.00 O ATOM 194 CB ILE A 118 4.363 -3.224 7.695 1.00 0.00 C ATOM 195 CG1 ILE A 118 4.832 -4.211 6.624 1.00 0.00 C ATOM 196 CG2 ILE A 118 2.846 -3.236 7.806 1.00 0.00 C ATOM 197 CD1 ILE A 118 4.728 -5.659 7.049 1.00 0.00 C ATOM 0 H ILE A 118 4.069 -2.149 5.465 1.00 0.00 H new ATOM 0 HA ILE A 118 4.359 -1.091 8.020 1.00 0.00 H new ATOM 0 HB ILE A 118 4.780 -3.532 8.654 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.240 -4.063 5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.868 -3.990 6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.506 -4.246 8.035 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.534 -2.559 8.602 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.409 -2.911 6.862 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.077 -6.301 6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.342 -5.823 7.934 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.689 -5.897 7.279 1.00 0.00 H new ATOM 209 N CYS A 119 7.151 -1.824 6.558 1.00 0.00 N ATOM 210 CA CYS A 119 8.604 -1.773 6.666 1.00 0.00 C ATOM 211 C CYS A 119 9.092 -0.331 6.756 1.00 0.00 C ATOM 212 O CYS A 119 10.282 -0.078 6.944 1.00 0.00 O ATOM 213 CB CYS A 119 9.250 -2.468 5.466 1.00 0.00 C ATOM 214 SG CYS A 119 8.937 -1.644 3.872 1.00 0.00 S ATOM 0 H CYS A 119 6.803 -1.928 5.605 1.00 0.00 H new ATOM 0 HA CYS A 119 8.894 -2.294 7.578 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.326 -2.524 5.628 1.00 0.00 H new ATOM 0 HB3 CYS A 119 8.882 -3.493 5.412 1.00 0.00 H new ATOM 219 N SER A 120 8.165 0.612 6.621 1.00 0.00 N ATOM 220 CA SER A 120 8.500 2.030 6.684 1.00 0.00 C ATOM 221 C SER A 120 9.618 2.367 5.702 1.00 0.00 C ATOM 222 O SER A 120 10.500 3.172 6.001 1.00 0.00 O ATOM 223 CB SER A 120 8.920 2.414 8.104 1.00 0.00 C ATOM 224 OG SER A 120 10.281 2.095 8.337 1.00 0.00 O ATOM 0 H SER A 120 7.175 0.419 6.467 1.00 0.00 H new ATOM 0 HA SER A 120 7.613 2.601 6.409 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.762 3.482 8.257 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.292 1.892 8.826 1.00 0.00 H new ATOM 0 HG SER A 120 10.425 1.139 8.179 1.00 0.00 H new ATOM 230 N SER A 121 9.574 1.745 4.528 1.00 0.00 N ATOM 231 CA SER A 121 10.584 1.975 3.502 1.00 0.00 C ATOM 232 C SER A 121 9.936 2.380 2.182 1.00 0.00 C ATOM 233 O SER A 121 9.194 1.606 1.577 1.00 0.00 O ATOM 234 CB SER A 121 11.433 0.718 3.301 1.00 0.00 C ATOM 235 OG SER A 121 12.772 1.052 2.979 1.00 0.00 O ATOM 0 H SER A 121 8.849 1.078 4.264 1.00 0.00 H new ATOM 0 HA SER A 121 11.226 2.790 3.837 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.414 0.114 4.208 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.005 0.110 2.504 1.00 0.00 H new ATOM 0 HG SER A 121 13.294 0.231 2.857 1.00 0.00 H new ATOM 241 N THR A 122 10.221 3.602 1.741 1.00 0.00 N ATOM 242 CA THR A 122 9.666 4.112 0.494 1.00 0.00 C ATOM 243 C THR A 122 10.615 3.863 -0.673 1.00 0.00 C ATOM 244 O THR A 122 10.638 4.624 -1.640 1.00 0.00 O ATOM 245 CB THR A 122 9.371 5.621 0.587 1.00 0.00 C ATOM 246 OG1 THR A 122 10.597 6.361 0.591 1.00 0.00 O ATOM 247 CG2 THR A 122 8.576 5.940 1.844 1.00 0.00 C ATOM 0 H THR A 122 10.833 4.256 2.229 1.00 0.00 H new ATOM 0 HA THR A 122 8.733 3.576 0.321 1.00 0.00 H new ATOM 0 HB THR A 122 8.778 5.907 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 122 10.400 7.319 0.649 1.00 0.00 H new ATOM 0 HG21 THR A 122 8.380 7.011 1.888 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.630 5.398 1.824 1.00 0.00 H new ATOM 0 HG23 THR A 122 9.148 5.639 2.722 1.00 0.00 H new ATOM 255 N MET A 123 11.395 2.791 -0.577 1.00 0.00 N ATOM 256 CA MET A 123 12.344 2.441 -1.627 1.00 0.00 C ATOM 257 C MET A 123 11.641 1.737 -2.783 1.00 0.00 C ATOM 258 O MET A 123 10.428 1.530 -2.751 1.00 0.00 O ATOM 259 CB MET A 123 13.450 1.545 -1.066 1.00 0.00 C ATOM 260 CG MET A 123 12.927 0.343 -0.297 1.00 0.00 C ATOM 261 SD MET A 123 14.214 -0.868 0.059 1.00 0.00 S ATOM 262 CE MET A 123 14.291 -1.749 -1.498 1.00 0.00 C ATOM 0 H MET A 123 11.388 2.150 0.217 1.00 0.00 H new ATOM 0 HA MET A 123 12.788 3.363 -2.003 1.00 0.00 H new ATOM 0 HB2 MET A 123 14.075 1.196 -1.888 1.00 0.00 H new ATOM 0 HB3 MET A 123 14.088 2.137 -0.409 1.00 0.00 H new ATOM 0 HG2 MET A 123 12.483 0.681 0.639 1.00 0.00 H new ATOM 0 HG3 MET A 123 12.134 -0.134 -0.872 1.00 0.00 H new ATOM 0 HE1 MET A 123 14.111 -2.810 -1.325 1.00 0.00 H new ATOM 0 HE2 MET A 123 13.532 -1.358 -2.175 1.00 0.00 H new ATOM 0 HE3 MET A 123 15.277 -1.616 -1.943 1.00 0.00 H new ATOM 272 N VAL A 124 12.410 1.372 -3.804 1.00 0.00 N ATOM 273 CA VAL A 124 11.861 0.690 -4.970 1.00 0.00 C ATOM 274 C VAL A 124 12.066 -0.817 -4.873 1.00 0.00 C ATOM 275 O VAL A 124 12.987 -1.368 -5.475 1.00 0.00 O ATOM 276 CB VAL A 124 12.502 1.202 -6.273 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.778 0.634 -7.484 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.501 2.723 -6.306 1.00 0.00 C ATOM 0 H VAL A 124 13.416 1.537 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 124 10.793 0.907 -4.990 1.00 0.00 H new ATOM 0 HB VAL A 124 13.537 0.861 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 124 12.245 1.007 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.837 -0.454 -7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.733 0.942 -7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.958 3.067 -7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.475 3.087 -6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 124 13.069 3.106 -5.458 1.00 0.00 H new ATOM 288 N ASN A 125 11.201 -1.479 -4.111 1.00 0.00 N ATOM 289 CA ASN A 125 11.288 -2.924 -3.935 1.00 0.00 C ATOM 290 C ASN A 125 11.122 -3.646 -5.269 1.00 0.00 C ATOM 291 O ASN A 125 11.182 -3.028 -6.332 1.00 0.00 O ATOM 292 CB ASN A 125 10.222 -3.403 -2.947 1.00 0.00 C ATOM 293 CG ASN A 125 8.860 -3.559 -3.596 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.373 -2.650 -4.268 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.239 -4.716 -3.397 1.00 0.00 N ATOM 0 H ASN A 125 10.432 -1.038 -3.606 1.00 0.00 H new ATOM 0 HA ASN A 125 12.275 -3.158 -3.536 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.529 -4.358 -2.520 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.150 -2.693 -2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.320 -4.879 -3.809 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.681 -5.442 -2.832 1.00 0.00 H new ATOM 302 N ASP A 126 10.912 -4.956 -5.204 1.00 0.00 N ATOM 303 CA ASP A 126 10.735 -5.762 -6.406 1.00 0.00 C ATOM 304 C ASP A 126 9.516 -5.298 -7.198 1.00 0.00 C ATOM 305 O ASP A 126 9.540 -5.258 -8.428 1.00 0.00 O ATOM 306 CB ASP A 126 10.587 -7.240 -6.039 1.00 0.00 C ATOM 307 CG ASP A 126 11.252 -8.156 -7.047 1.00 0.00 C ATOM 308 OD1 ASP A 126 10.969 -8.014 -8.255 1.00 0.00 O ATOM 309 OD2 ASP A 126 12.055 -9.015 -6.628 1.00 0.00 O ATOM 0 H ASP A 126 10.860 -5.482 -4.332 1.00 0.00 H new ATOM 0 HA ASP A 126 11.620 -5.637 -7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 126 11.021 -7.412 -5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.528 -7.490 -5.969 1.00 0.00 H new ATOM 314 N SER A 127 8.450 -4.950 -6.483 1.00 0.00 N ATOM 315 CA SER A 127 7.220 -4.494 -7.119 1.00 0.00 C ATOM 316 C SER A 127 6.299 -3.827 -6.102 1.00 0.00 C ATOM 317 O SER A 127 6.060 -4.362 -5.020 1.00 0.00 O ATOM 318 CB SER A 127 6.499 -5.668 -7.784 1.00 0.00 C ATOM 319 OG SER A 127 5.918 -5.277 -9.016 1.00 0.00 O ATOM 0 H SER A 127 8.414 -4.975 -5.464 1.00 0.00 H new ATOM 0 HA SER A 127 7.484 -3.761 -7.881 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.203 -6.483 -7.953 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.725 -6.048 -7.118 1.00 0.00 H new ATOM 0 HG SER A 127 5.465 -6.045 -9.422 1.00 0.00 H new ATOM 325 N MET A 128 5.784 -2.654 -6.459 1.00 0.00 N ATOM 326 CA MET A 128 4.888 -1.914 -5.579 1.00 0.00 C ATOM 327 C MET A 128 3.441 -2.041 -6.044 1.00 0.00 C ATOM 328 O MET A 128 3.175 -2.486 -7.161 1.00 0.00 O ATOM 329 CB MET A 128 5.291 -0.439 -5.529 1.00 0.00 C ATOM 330 CG MET A 128 6.442 -0.155 -4.576 1.00 0.00 C ATOM 331 SD MET A 128 6.010 1.046 -3.303 1.00 0.00 S ATOM 332 CE MET A 128 7.576 1.887 -3.085 1.00 0.00 C ATOM 0 H MET A 128 5.972 -2.197 -7.351 1.00 0.00 H new ATOM 0 HA MET A 128 4.969 -2.340 -4.579 1.00 0.00 H new ATOM 0 HB2 MET A 128 5.571 -0.113 -6.531 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.427 0.155 -5.230 1.00 0.00 H new ATOM 0 HG2 MET A 128 6.753 -1.085 -4.101 1.00 0.00 H new ATOM 0 HG3 MET A 128 7.296 0.215 -5.144 1.00 0.00 H new ATOM 0 HE1 MET A 128 8.004 1.615 -2.120 1.00 0.00 H new ATOM 0 HE2 MET A 128 8.260 1.594 -3.881 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.418 2.965 -3.121 1.00 0.00 H new ATOM 342 N ILE A 129 2.510 -1.650 -5.180 1.00 0.00 N ATOM 343 CA ILE A 129 1.090 -1.720 -5.504 1.00 0.00 C ATOM 344 C ILE A 129 0.307 -0.631 -4.780 1.00 0.00 C ATOM 345 O ILE A 129 0.466 -0.435 -3.576 1.00 0.00 O ATOM 346 CB ILE A 129 0.497 -3.093 -5.138 1.00 0.00 C ATOM 347 CG1 ILE A 129 -1.011 -3.107 -5.397 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.793 -3.427 -3.684 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.636 -4.477 -5.252 1.00 0.00 C ATOM 0 H ILE A 129 2.713 -1.282 -4.251 1.00 0.00 H new ATOM 0 HA ILE A 129 1.004 -1.571 -6.580 1.00 0.00 H new ATOM 0 HB ILE A 129 0.962 -3.852 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.497 -2.420 -4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.202 -2.734 -6.403 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.367 -4.400 -3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.872 -3.453 -3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.352 -2.667 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.706 -4.412 -5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.177 -5.164 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.476 -4.844 -4.238 1.00 0.00 H new ATOM 361 N GLN A 130 -0.541 0.074 -5.523 1.00 0.00 N ATOM 362 CA GLN A 130 -1.351 1.143 -4.951 1.00 0.00 C ATOM 363 C GLN A 130 -2.652 0.593 -4.377 1.00 0.00 C ATOM 364 O GLN A 130 -3.266 -0.306 -4.954 1.00 0.00 O ATOM 365 CB GLN A 130 -1.655 2.204 -6.010 1.00 0.00 C ATOM 366 CG GLN A 130 -2.718 3.203 -5.583 1.00 0.00 C ATOM 367 CD GLN A 130 -2.543 4.558 -6.241 1.00 0.00 C ATOM 368 OE1 GLN A 130 -2.474 5.606 -5.428 1.00 0.00 O flip ATOM 369 NE2 GLN A 130 -2.472 4.661 -7.466 1.00 0.00 N flip ATOM 0 H GLN A 130 -0.685 -0.076 -6.522 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.783 1.601 -4.141 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.737 2.742 -6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -1.980 1.709 -6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.703 2.808 -5.830 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.685 3.322 -4.500 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.530 3.828 -8.052 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.355 5.579 -7.895 1.00 0.00 H new ATOM 378 N CYS A 131 -3.068 1.137 -3.239 1.00 0.00 N ATOM 379 CA CYS A 131 -4.296 0.700 -2.586 1.00 0.00 C ATOM 380 C CYS A 131 -5.481 0.781 -3.545 1.00 0.00 C ATOM 381 O CYS A 131 -5.485 1.587 -4.475 1.00 0.00 O ATOM 382 CB CYS A 131 -4.571 1.554 -1.346 1.00 0.00 C ATOM 383 SG CYS A 131 -5.971 0.972 -0.337 1.00 0.00 S ATOM 0 H CYS A 131 -2.572 1.882 -2.749 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.166 -0.339 -2.283 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.674 1.575 -0.726 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.765 2.580 -1.660 1.00 0.00 H new ATOM 388 N GLU A 132 -6.483 -0.060 -3.310 1.00 0.00 N ATOM 389 CA GLU A 132 -7.673 -0.083 -4.154 1.00 0.00 C ATOM 390 C GLU A 132 -8.725 0.894 -3.639 1.00 0.00 C ATOM 391 O GLU A 132 -9.898 0.808 -4.000 1.00 0.00 O ATOM 392 CB GLU A 132 -8.257 -1.496 -4.210 1.00 0.00 C ATOM 393 CG GLU A 132 -8.023 -2.200 -5.536 1.00 0.00 C ATOM 394 CD GLU A 132 -9.145 -1.964 -6.528 1.00 0.00 C ATOM 395 OE1 GLU A 132 -10.063 -1.181 -6.208 1.00 0.00 O ATOM 396 OE2 GLU A 132 -9.104 -2.562 -7.624 1.00 0.00 O ATOM 0 H GLU A 132 -6.495 -0.733 -2.544 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.381 0.222 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.820 -2.093 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.329 -1.445 -4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.084 -1.853 -5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.917 -3.271 -5.361 1.00 0.00 H new ATOM 403 N ASP A 133 -8.296 1.823 -2.791 1.00 0.00 N ATOM 404 CA ASP A 133 -9.199 2.818 -2.226 1.00 0.00 C ATOM 405 C ASP A 133 -8.798 4.225 -2.659 1.00 0.00 C ATOM 406 O ASP A 133 -7.712 4.700 -2.328 1.00 0.00 O ATOM 407 CB ASP A 133 -9.206 2.723 -0.699 1.00 0.00 C ATOM 408 CG ASP A 133 -10.110 3.758 -0.059 1.00 0.00 C ATOM 409 OD1 ASP A 133 -11.170 4.065 -0.644 1.00 0.00 O ATOM 410 OD2 ASP A 133 -9.758 4.261 1.029 1.00 0.00 O ATOM 0 H ASP A 133 -7.328 1.907 -2.480 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.203 2.615 -2.600 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.532 1.726 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.190 2.851 -0.325 1.00 0.00 H new ATOM 415 N GLN A 134 -9.682 4.885 -3.401 1.00 0.00 N ATOM 416 CA GLN A 134 -9.419 6.236 -3.880 1.00 0.00 C ATOM 417 C GLN A 134 -9.261 7.207 -2.714 1.00 0.00 C ATOM 418 O GLN A 134 -8.645 8.264 -2.852 1.00 0.00 O ATOM 419 CB GLN A 134 -10.549 6.704 -4.798 1.00 0.00 C ATOM 420 CG GLN A 134 -10.465 8.177 -5.165 1.00 0.00 C ATOM 421 CD GLN A 134 -10.830 8.440 -6.613 1.00 0.00 C ATOM 422 OE1 GLN A 134 -11.761 9.191 -6.904 1.00 0.00 O ATOM 423 NE2 GLN A 134 -10.096 7.820 -7.530 1.00 0.00 N ATOM 0 H GLN A 134 -10.586 4.506 -3.683 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.486 6.218 -4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.534 6.109 -5.711 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -11.505 6.514 -4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -11.131 8.747 -4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -9.453 8.537 -4.978 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -9.334 7.206 -7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -10.295 7.958 -8.521 1.00 0.00 H new ATOM 432 N ARG A 135 -9.821 6.840 -1.566 1.00 0.00 N ATOM 433 CA ARG A 135 -9.744 7.679 -0.376 1.00 0.00 C ATOM 434 C ARG A 135 -8.476 7.380 0.419 1.00 0.00 C ATOM 435 O ARG A 135 -8.303 7.864 1.538 1.00 0.00 O ATOM 436 CB ARG A 135 -10.975 7.464 0.507 1.00 0.00 C ATOM 437 CG ARG A 135 -12.280 7.864 -0.161 1.00 0.00 C ATOM 438 CD ARG A 135 -13.030 6.652 -0.691 1.00 0.00 C ATOM 439 NE ARG A 135 -14.217 7.032 -1.451 1.00 0.00 N ATOM 440 CZ ARG A 135 -15.327 7.504 -0.893 1.00 0.00 C ATOM 441 NH1 ARG A 135 -15.400 7.654 0.422 1.00 0.00 N ATOM 442 NH2 ARG A 135 -16.366 7.828 -1.652 1.00 0.00 N ATOM 0 H ARG A 135 -10.333 5.968 -1.435 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.714 8.720 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.029 6.413 0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.857 8.037 1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.907 8.397 0.554 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.074 8.553 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -12.366 6.064 -1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.322 6.014 0.143 1.00 0.00 H new ATOM 0 HE ARG A 135 -14.193 6.930 -2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -14.603 7.407 1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -16.253 8.017 0.847 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -16.313 7.715 -2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -17.218 8.190 -1.223 1.00 0.00 H new ATOM 456 N CYS A 136 -7.592 6.579 -0.167 1.00 0.00 N ATOM 457 CA CYS A 136 -6.341 6.214 0.486 1.00 0.00 C ATOM 458 C CYS A 136 -5.148 6.526 -0.413 1.00 0.00 C ATOM 459 O CYS A 136 -4.265 7.299 -0.042 1.00 0.00 O ATOM 460 CB CYS A 136 -6.345 4.727 0.848 1.00 0.00 C ATOM 461 SG CYS A 136 -5.858 4.380 2.569 1.00 0.00 S ATOM 0 H CYS A 136 -7.719 6.170 -1.093 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.251 6.803 1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.343 4.325 0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.668 4.199 0.176 1.00 0.00 H new ATOM 466 N GLN A 137 -5.130 5.919 -1.595 1.00 0.00 N ATOM 467 CA GLN A 137 -4.045 6.131 -2.546 1.00 0.00 C ATOM 468 C GLN A 137 -2.689 5.922 -1.881 1.00 0.00 C ATOM 469 O GLN A 137 -1.835 6.809 -1.895 1.00 0.00 O ATOM 470 CB GLN A 137 -4.125 7.540 -3.136 1.00 0.00 C ATOM 471 CG GLN A 137 -5.409 7.806 -3.905 1.00 0.00 C ATOM 472 CD GLN A 137 -5.232 7.665 -5.404 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.111 8.657 -6.123 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.215 6.427 -5.884 1.00 0.00 N ATOM 0 H GLN A 137 -5.854 5.277 -1.917 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.151 5.401 -3.349 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.037 8.268 -2.330 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.275 7.696 -3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.180 7.114 -3.567 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.762 8.812 -3.678 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.319 5.633 -5.252 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.098 6.270 -6.885 1.00 0.00 H new ATOM 483 N VAL A 138 -2.497 4.743 -1.297 1.00 0.00 N ATOM 484 CA VAL A 138 -1.244 4.417 -0.627 1.00 0.00 C ATOM 485 C VAL A 138 -0.565 3.220 -1.283 1.00 0.00 C ATOM 486 O VAL A 138 -1.158 2.148 -1.405 1.00 0.00 O ATOM 487 CB VAL A 138 -1.469 4.111 0.866 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.747 5.393 1.637 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.607 3.117 1.040 1.00 0.00 C ATOM 0 H VAL A 138 -3.193 3.998 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.600 5.291 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.561 3.662 1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.903 5.158 2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.897 6.068 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.640 5.873 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.752 2.912 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.523 3.536 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.363 2.190 0.522 1.00 0.00 H new ATOM 499 N TRP A 139 0.681 3.409 -1.702 1.00 0.00 N ATOM 500 CA TRP A 139 1.441 2.344 -2.345 1.00 0.00 C ATOM 501 C TRP A 139 2.156 1.484 -1.309 1.00 0.00 C ATOM 502 O TRP A 139 2.561 1.975 -0.256 1.00 0.00 O ATOM 503 CB TRP A 139 2.456 2.934 -3.325 1.00 0.00 C ATOM 504 CG TRP A 139 1.822 3.686 -4.456 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.960 4.741 -4.358 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.999 3.439 -5.855 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.590 5.165 -5.611 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.215 4.383 -6.547 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.745 2.515 -6.591 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.156 4.426 -7.938 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.685 2.558 -7.971 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.896 3.508 -8.633 1.00 0.00 C ATOM 0 H TRP A 139 1.186 4.290 -1.608 1.00 0.00 H new ATOM 0 HA TRP A 139 0.742 1.713 -2.894 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.126 3.602 -2.784 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.068 2.129 -3.731 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.619 5.178 -3.431 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.046 5.936 -5.812 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.358 1.780 -6.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.548 5.157 -8.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.256 1.847 -8.549 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.871 3.516 -9.713 1.00 0.00 H new ATOM 523 N GLN A 140 2.309 0.200 -1.616 1.00 0.00 N ATOM 524 CA GLN A 140 2.976 -0.728 -0.710 1.00 0.00 C ATOM 525 C GLN A 140 3.737 -1.796 -1.488 1.00 0.00 C ATOM 526 O GLN A 140 3.441 -2.060 -2.654 1.00 0.00 O ATOM 527 CB GLN A 140 1.956 -1.387 0.220 1.00 0.00 C ATOM 528 CG GLN A 140 1.410 -0.451 1.286 1.00 0.00 C ATOM 529 CD GLN A 140 0.900 -1.190 2.507 1.00 0.00 C ATOM 530 OE1 GLN A 140 1.146 -2.386 2.670 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.185 -0.482 3.373 1.00 0.00 N ATOM 0 H GLN A 140 1.980 -0.221 -2.485 1.00 0.00 H new ATOM 0 HA GLN A 140 3.690 -0.162 -0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 140 1.127 -1.768 -0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.421 -2.245 0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 140 2.193 0.245 1.588 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.601 0.144 0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.005 0.507 3.198 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.185 -0.927 4.213 1.00 0.00 H new ATOM 540 N HIS A 141 4.721 -2.408 -0.835 1.00 0.00 N ATOM 541 CA HIS A 141 5.525 -3.448 -1.466 1.00 0.00 C ATOM 542 C HIS A 141 4.724 -4.737 -1.619 1.00 0.00 C ATOM 543 O HIS A 141 4.335 -5.360 -0.630 1.00 0.00 O ATOM 544 CB HIS A 141 6.788 -3.714 -0.645 1.00 0.00 C ATOM 545 CG HIS A 141 7.662 -2.508 -0.484 1.00 0.00 C ATOM 546 ND1 HIS A 141 8.332 -2.216 0.685 1.00 0.00 N ATOM 547 CD2 HIS A 141 7.975 -1.519 -1.353 1.00 0.00 C ATOM 548 CE1 HIS A 141 9.019 -1.098 0.529 1.00 0.00 C ATOM 549 NE2 HIS A 141 8.819 -0.655 -0.700 1.00 0.00 N ATOM 0 H HIS A 141 4.980 -2.201 0.130 1.00 0.00 H new ATOM 0 HA HIS A 141 5.811 -3.099 -2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.500 -4.079 0.341 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.362 -4.508 -1.123 1.00 0.00 H new ATOM 0 HD2 HIS A 141 7.626 -1.427 -2.371 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.638 -0.627 1.278 1.00 0.00 H new ATOM 0 HE2 HIS A 141 9.226 0.191 -1.099 1.00 0.00 H new ATOM 557 N LEU A 142 4.479 -5.131 -2.864 1.00 0.00 N ATOM 558 CA LEU A 142 3.722 -6.346 -3.147 1.00 0.00 C ATOM 559 C LEU A 142 4.296 -7.535 -2.383 1.00 0.00 C ATOM 560 O LEU A 142 3.554 -8.366 -1.861 1.00 0.00 O ATOM 561 CB LEU A 142 3.731 -6.638 -4.649 1.00 0.00 C ATOM 562 CG LEU A 142 2.399 -6.454 -5.376 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.538 -6.821 -6.845 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.312 -7.290 -4.716 1.00 0.00 C ATOM 0 H LEU A 142 4.793 -4.627 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 142 2.694 -6.189 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.472 -5.992 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 142 4.064 -7.665 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 142 2.113 -5.404 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.580 -6.684 -7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.287 -6.180 -7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.847 -7.863 -6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.371 -7.147 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.592 -8.343 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.194 -6.980 -3.678 1.00 0.00 H new ATOM 576 N ASN A 143 5.622 -7.608 -2.321 1.00 0.00 N ATOM 577 CA ASN A 143 6.295 -8.695 -1.619 1.00 0.00 C ATOM 578 C ASN A 143 5.977 -8.658 -0.127 1.00 0.00 C ATOM 579 O ASN A 143 5.919 -9.697 0.532 1.00 0.00 O ATOM 580 CB ASN A 143 7.808 -8.607 -1.831 1.00 0.00 C ATOM 581 CG ASN A 143 8.279 -9.458 -2.995 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.705 -10.598 -2.812 1.00 0.00 O ATOM 583 ND2 ASN A 143 8.204 -8.905 -4.200 1.00 0.00 N ATOM 0 H ASN A 143 6.251 -6.928 -2.748 1.00 0.00 H new ATOM 0 HA ASN A 143 5.931 -9.638 -2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.088 -7.568 -2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.319 -8.925 -0.922 1.00 0.00 H new ATOM 0 HD21 ASN A 143 8.507 -9.429 -5.021 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.844 -7.956 -4.304 1.00 0.00 H new ATOM 590 N CYS A 144 5.771 -7.456 0.399 1.00 0.00 N ATOM 591 CA CYS A 144 5.459 -7.282 1.813 1.00 0.00 C ATOM 592 C CYS A 144 4.009 -7.662 2.100 1.00 0.00 C ATOM 593 O CYS A 144 3.696 -8.209 3.157 1.00 0.00 O ATOM 594 CB CYS A 144 5.713 -5.835 2.239 1.00 0.00 C ATOM 595 SG CYS A 144 7.468 -5.444 2.534 1.00 0.00 S ATOM 0 H CYS A 144 5.814 -6.587 -0.133 1.00 0.00 H new ATOM 0 HA CYS A 144 6.110 -7.941 2.387 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.328 -5.168 1.468 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.148 -5.631 3.149 1.00 0.00 H new ATOM 600 N VAL A 145 3.127 -7.366 1.150 1.00 0.00 N ATOM 601 CA VAL A 145 1.710 -7.677 1.299 1.00 0.00 C ATOM 602 C VAL A 145 1.370 -9.017 0.655 1.00 0.00 C ATOM 603 O VAL A 145 0.200 -9.383 0.538 1.00 0.00 O ATOM 604 CB VAL A 145 0.826 -6.581 0.674 1.00 0.00 C ATOM 605 CG1 VAL A 145 1.022 -5.259 1.400 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.129 -6.434 -0.809 1.00 0.00 C ATOM 0 H VAL A 145 3.369 -6.911 0.269 1.00 0.00 H new ATOM 0 HA VAL A 145 1.509 -7.730 2.369 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.218 -6.876 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.390 -4.497 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.751 -5.376 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.066 -4.955 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.496 -5.656 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.176 -6.162 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 145 0.933 -7.379 -1.316 1.00 0.00 H new ATOM 616 N LEU A 146 2.401 -9.745 0.240 1.00 0.00 N ATOM 617 CA LEU A 146 2.212 -11.046 -0.392 1.00 0.00 C ATOM 618 C LEU A 146 2.387 -12.174 0.620 1.00 0.00 C ATOM 619 O LEU A 146 3.448 -12.316 1.229 1.00 0.00 O ATOM 620 CB LEU A 146 3.202 -11.223 -1.545 1.00 0.00 C ATOM 621 CG LEU A 146 2.638 -11.014 -2.951 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.765 -10.896 -3.966 1.00 0.00 C ATOM 623 CD2 LEU A 146 1.699 -12.153 -3.324 1.00 0.00 C ATOM 0 H LEU A 146 3.375 -9.457 0.330 1.00 0.00 H new ATOM 0 HA LEU A 146 1.195 -11.088 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 146 4.028 -10.526 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.619 -12.228 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 146 2.070 -10.084 -2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.345 -10.748 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.398 -10.047 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.361 -11.809 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.307 -11.988 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 146 2.244 -13.097 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 146 0.873 -12.191 -2.614 1.00 0.00 H new ATOM 635 N ILE A 147 1.340 -12.973 0.794 1.00 0.00 N ATOM 636 CA ILE A 147 1.379 -14.090 1.730 1.00 0.00 C ATOM 637 C ILE A 147 1.114 -15.413 1.019 1.00 0.00 C ATOM 638 O ILE A 147 -0.017 -15.733 0.653 1.00 0.00 O ATOM 639 CB ILE A 147 0.350 -13.913 2.862 1.00 0.00 C ATOM 640 CG1 ILE A 147 0.057 -12.428 3.086 1.00 0.00 C ATOM 641 CG2 ILE A 147 0.856 -14.558 4.144 1.00 0.00 C ATOM 642 CD1 ILE A 147 1.273 -11.627 3.497 1.00 0.00 C ATOM 0 H ILE A 147 0.454 -12.868 0.299 1.00 0.00 H new ATOM 0 HA ILE A 147 2.380 -14.106 2.160 1.00 0.00 H new ATOM 0 HB ILE A 147 -0.577 -14.407 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -0.354 -12.005 2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -0.710 -12.329 3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 147 0.118 -14.424 4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 147 1.019 -15.623 3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 147 1.794 -14.090 4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 147 0.991 -10.584 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 147 1.672 -12.024 4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 147 2.033 -11.695 2.719 1.00 0.00 H new ATOM 654 N PRO A 148 2.180 -16.202 0.820 1.00 0.00 N ATOM 655 CA PRO A 148 2.087 -17.504 0.154 1.00 0.00 C ATOM 656 C PRO A 148 1.357 -18.539 1.003 1.00 0.00 C ATOM 657 O PRO A 148 1.556 -18.613 2.216 1.00 0.00 O ATOM 658 CB PRO A 148 3.550 -17.908 -0.041 1.00 0.00 C ATOM 659 CG PRO A 148 4.289 -17.182 1.029 1.00 0.00 C ATOM 660 CD PRO A 148 3.558 -15.884 1.230 1.00 0.00 C ATOM 0 HA PRO A 148 1.519 -17.447 -0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 148 3.679 -18.986 0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 148 3.910 -17.627 -1.031 1.00 0.00 H new ATOM 0 HG2 PRO A 148 4.312 -17.764 1.951 1.00 0.00 H new ATOM 0 HG3 PRO A 148 5.324 -17.006 0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 148 3.603 -15.554 2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 148 3.984 -15.085 0.623 1.00 0.00 H new ATOM 668 N ASP A 149 0.512 -19.337 0.359 1.00 0.00 N ATOM 669 CA ASP A 149 -0.246 -20.369 1.055 1.00 0.00 C ATOM 670 C ASP A 149 0.675 -21.247 1.896 1.00 0.00 C ATOM 671 O ASP A 149 0.277 -21.762 2.941 1.00 0.00 O ATOM 672 CB ASP A 149 -1.016 -21.231 0.053 1.00 0.00 C ATOM 673 CG ASP A 149 -1.743 -20.400 -0.987 1.00 0.00 C ATOM 674 OD1 ASP A 149 -2.710 -19.702 -0.617 1.00 0.00 O ATOM 675 OD2 ASP A 149 -1.345 -20.448 -2.170 1.00 0.00 O ATOM 0 H ASP A 149 0.335 -19.288 -0.644 1.00 0.00 H new ATOM 0 HA ASP A 149 -0.956 -19.876 1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -0.324 -21.908 -0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -1.737 -21.849 0.588 1.00 0.00 H new ATOM 680 N LYS A 150 1.910 -21.414 1.433 1.00 0.00 N ATOM 681 CA LYS A 150 2.889 -22.229 2.142 1.00 0.00 C ATOM 682 C LYS A 150 4.260 -21.559 2.137 1.00 0.00 C ATOM 683 O LYS A 150 4.545 -20.680 1.323 1.00 0.00 O ATOM 684 CB LYS A 150 2.986 -23.617 1.504 1.00 0.00 C ATOM 685 CG LYS A 150 2.338 -24.713 2.332 1.00 0.00 C ATOM 686 CD LYS A 150 3.138 -26.004 2.270 1.00 0.00 C ATOM 687 CE LYS A 150 2.614 -26.932 1.185 1.00 0.00 C ATOM 688 NZ LYS A 150 2.848 -28.364 1.520 1.00 0.00 N ATOM 0 H LYS A 150 2.256 -20.995 0.570 1.00 0.00 H new ATOM 0 HA LYS A 150 2.558 -22.333 3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 150 2.516 -23.590 0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 150 4.036 -23.864 1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 150 2.253 -24.386 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 150 1.326 -24.893 1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 150 4.186 -25.775 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 150 3.092 -26.508 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 150 1.547 -26.761 1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 150 3.101 -26.696 0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 2.477 -28.964 0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 3.868 -28.533 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 2.362 -28.596 2.410 1.00 0.00 H new ATOM 702 N PRO A 151 5.130 -21.983 3.065 1.00 0.00 N ATOM 703 CA PRO A 151 6.486 -21.439 3.187 1.00 0.00 C ATOM 704 C PRO A 151 7.380 -21.846 2.021 1.00 0.00 C ATOM 705 O PRO A 151 7.670 -23.026 1.830 1.00 0.00 O ATOM 706 CB PRO A 151 6.998 -22.051 4.493 1.00 0.00 C ATOM 707 CG PRO A 151 6.213 -23.307 4.656 1.00 0.00 C ATOM 708 CD PRO A 151 4.858 -23.028 4.067 1.00 0.00 C ATOM 0 HA PRO A 151 6.490 -20.349 3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 151 8.067 -22.256 4.442 1.00 0.00 H new ATOM 0 HB3 PRO A 151 6.843 -21.375 5.334 1.00 0.00 H new ATOM 0 HG2 PRO A 151 6.697 -24.139 4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 151 6.132 -23.583 5.707 1.00 0.00 H new ATOM 0 HD2 PRO A 151 4.427 -23.919 3.611 1.00 0.00 H new ATOM 0 HD3 PRO A 151 4.153 -22.685 4.825 1.00 0.00 H new ATOM 716 N GLY A 152 7.817 -20.859 1.243 1.00 0.00 N ATOM 717 CA GLY A 152 8.674 -21.135 0.106 1.00 0.00 C ATOM 718 C GLY A 152 7.902 -21.223 -1.196 1.00 0.00 C ATOM 719 O GLY A 152 8.472 -21.069 -2.275 1.00 0.00 O ATOM 0 H GLY A 152 7.592 -19.874 1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 152 9.428 -20.352 0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 152 9.204 -22.072 0.274 1.00 0.00 H new ATOM 723 N GLU A 153 6.600 -21.473 -1.093 1.00 0.00 N ATOM 724 CA GLU A 153 5.749 -21.584 -2.273 1.00 0.00 C ATOM 725 C GLU A 153 5.587 -20.229 -2.956 1.00 0.00 C ATOM 726 O GLU A 153 6.170 -19.233 -2.528 1.00 0.00 O ATOM 727 CB GLU A 153 4.377 -22.141 -1.888 1.00 0.00 C ATOM 728 CG GLU A 153 4.157 -23.577 -2.334 1.00 0.00 C ATOM 729 CD GLU A 153 5.373 -24.453 -2.102 1.00 0.00 C ATOM 730 OE1 GLU A 153 5.614 -24.839 -0.940 1.00 0.00 O ATOM 731 OE2 GLU A 153 6.083 -24.753 -3.085 1.00 0.00 O ATOM 0 H GLU A 153 6.112 -21.602 -0.207 1.00 0.00 H new ATOM 0 HA GLU A 153 6.228 -22.269 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 153 4.261 -22.084 -0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 153 3.602 -21.511 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 153 3.306 -23.994 -1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 153 3.902 -23.589 -3.394 1.00 0.00 H new ATOM 738 N SER A 154 4.792 -20.201 -4.020 1.00 0.00 N ATOM 739 CA SER A 154 4.556 -18.970 -4.766 1.00 0.00 C ATOM 740 C SER A 154 3.508 -18.106 -4.070 1.00 0.00 C ATOM 741 O SER A 154 2.371 -18.532 -3.870 1.00 0.00 O ATOM 742 CB SER A 154 4.104 -19.292 -6.191 1.00 0.00 C ATOM 743 OG SER A 154 5.210 -19.359 -7.074 1.00 0.00 O ATOM 0 H SER A 154 4.300 -21.016 -4.385 1.00 0.00 H new ATOM 0 HA SER A 154 5.492 -18.413 -4.807 1.00 0.00 H new ATOM 0 HB2 SER A 154 3.569 -20.242 -6.200 1.00 0.00 H new ATOM 0 HB3 SER A 154 3.405 -18.529 -6.535 1.00 0.00 H new ATOM 0 HG SER A 154 4.895 -19.568 -7.978 1.00 0.00 H new ATOM 749 N ALA A 155 3.901 -16.890 -3.705 1.00 0.00 N ATOM 750 CA ALA A 155 2.996 -15.965 -3.034 1.00 0.00 C ATOM 751 C ALA A 155 1.689 -15.819 -3.805 1.00 0.00 C ATOM 752 O ALA A 155 1.599 -16.205 -4.970 1.00 0.00 O ATOM 753 CB ALA A 155 3.663 -14.609 -2.859 1.00 0.00 C ATOM 0 H ALA A 155 4.839 -16.523 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 155 2.763 -16.373 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 155 2.976 -13.928 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 155 4.566 -14.722 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 155 3.926 -14.204 -3.836 1.00 0.00 H new ATOM 759 N GLU A 156 0.678 -15.259 -3.147 1.00 0.00 N ATOM 760 CA GLU A 156 -0.625 -15.064 -3.772 1.00 0.00 C ATOM 761 C GLU A 156 -0.904 -13.581 -3.996 1.00 0.00 C ATOM 762 O GLU A 156 -1.074 -12.819 -3.044 1.00 0.00 O ATOM 763 CB GLU A 156 -1.727 -15.677 -2.907 1.00 0.00 C ATOM 764 CG GLU A 156 -2.788 -16.415 -3.706 1.00 0.00 C ATOM 765 CD GLU A 156 -3.677 -15.479 -4.501 1.00 0.00 C ATOM 766 OE1 GLU A 156 -4.432 -14.705 -3.878 1.00 0.00 O ATOM 767 OE2 GLU A 156 -3.615 -15.520 -5.748 1.00 0.00 O ATOM 0 H GLU A 156 0.736 -14.933 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 156 -0.614 -15.564 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.276 -16.367 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -2.205 -14.887 -2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -2.303 -17.115 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -3.404 -17.005 -3.027 1.00 0.00 H new ATOM 774 N VAL A 157 -0.950 -13.177 -5.262 1.00 0.00 N ATOM 775 CA VAL A 157 -1.209 -11.786 -5.612 1.00 0.00 C ATOM 776 C VAL A 157 -2.662 -11.586 -6.030 1.00 0.00 C ATOM 777 O VAL A 157 -3.054 -11.875 -7.161 1.00 0.00 O ATOM 778 CB VAL A 157 -0.288 -11.313 -6.752 1.00 0.00 C ATOM 779 CG1 VAL A 157 -0.505 -9.834 -7.035 1.00 0.00 C ATOM 780 CG2 VAL A 157 1.168 -11.591 -6.411 1.00 0.00 C ATOM 0 H VAL A 157 -0.811 -13.794 -6.062 1.00 0.00 H new ATOM 0 HA VAL A 157 -1.005 -11.192 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 157 -0.539 -11.872 -7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.154 -9.518 -7.843 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.542 -9.668 -7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.283 -9.256 -6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 157 1.804 -11.250 -7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 157 1.435 -11.061 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.309 -12.662 -6.263 1.00 0.00 H new ATOM 790 N PRO A 158 -3.481 -11.078 -5.098 1.00 0.00 N ATOM 791 CA PRO A 158 -4.904 -10.827 -5.347 1.00 0.00 C ATOM 792 C PRO A 158 -5.127 -9.669 -6.314 1.00 0.00 C ATOM 793 O PRO A 158 -4.230 -8.870 -6.582 1.00 0.00 O ATOM 794 CB PRO A 158 -5.451 -10.478 -3.960 1.00 0.00 C ATOM 795 CG PRO A 158 -4.275 -9.954 -3.210 1.00 0.00 C ATOM 796 CD PRO A 158 -3.083 -10.710 -3.729 1.00 0.00 C ATOM 0 HA PRO A 158 -5.394 -11.683 -5.810 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.244 -9.733 -4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.875 -11.354 -3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.157 -8.882 -3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.397 -10.106 -2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.184 -10.094 -3.724 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -2.870 -11.590 -3.122 1.00 0.00 H new ATOM 804 N PRO A 159 -6.353 -9.574 -6.852 1.00 0.00 N ATOM 805 CA PRO A 159 -6.723 -8.517 -7.797 1.00 0.00 C ATOM 806 C PRO A 159 -6.801 -7.147 -7.132 1.00 0.00 C ATOM 807 O PRO A 159 -6.308 -6.155 -7.670 1.00 0.00 O ATOM 808 CB PRO A 159 -8.104 -8.951 -8.292 1.00 0.00 C ATOM 809 CG PRO A 159 -8.653 -9.794 -7.193 1.00 0.00 C ATOM 810 CD PRO A 159 -7.471 -10.492 -6.578 1.00 0.00 C ATOM 0 HA PRO A 159 -5.986 -8.405 -8.593 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -8.743 -8.090 -8.487 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -8.032 -9.513 -9.223 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -9.173 -9.183 -6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -9.375 -10.514 -7.577 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.609 -10.649 -5.508 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -7.305 -11.472 -7.026 1.00 0.00 H new ATOM 818 N VAL A 160 -7.425 -7.098 -5.959 1.00 0.00 N ATOM 819 CA VAL A 160 -7.567 -5.849 -5.220 1.00 0.00 C ATOM 820 C VAL A 160 -6.750 -5.877 -3.933 1.00 0.00 C ATOM 821 O VAL A 160 -6.789 -6.851 -3.181 1.00 0.00 O ATOM 822 CB VAL A 160 -9.041 -5.566 -4.874 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.764 -4.967 -6.070 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.731 -6.838 -4.405 1.00 0.00 C ATOM 0 H VAL A 160 -7.840 -7.909 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.195 -5.054 -5.866 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.073 -4.841 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.804 -4.774 -5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.282 -4.032 -6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -9.725 -5.665 -6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.772 -6.620 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -9.690 -7.587 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -9.226 -7.220 -3.518 1.00 0.00 H new ATOM 834 N PHE A 161 -6.011 -4.801 -3.685 1.00 0.00 N ATOM 835 CA PHE A 161 -5.184 -4.701 -2.488 1.00 0.00 C ATOM 836 C PHE A 161 -5.643 -3.545 -1.604 1.00 0.00 C ATOM 837 O PHE A 161 -5.985 -2.470 -2.098 1.00 0.00 O ATOM 838 CB PHE A 161 -3.715 -4.512 -2.872 1.00 0.00 C ATOM 839 CG PHE A 161 -2.889 -3.880 -1.788 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.517 -4.607 -0.669 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.484 -2.559 -1.889 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.757 -4.029 0.330 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.723 -1.975 -0.894 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.360 -2.711 0.218 1.00 0.00 C ATOM 0 H PHE A 161 -5.968 -3.986 -4.297 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.289 -5.629 -1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.286 -5.481 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.658 -3.894 -3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.825 -5.638 -0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.766 -1.979 -2.755 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.474 -4.607 1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.412 -0.945 -0.985 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.767 -2.256 0.998 1.00 0.00 H new ATOM 854 N TYR A 162 -5.648 -3.774 -0.296 1.00 0.00 N ATOM 855 CA TYR A 162 -6.068 -2.754 0.657 1.00 0.00 C ATOM 856 C TYR A 162 -5.078 -2.649 1.814 1.00 0.00 C ATOM 857 O TYR A 162 -4.810 -3.630 2.508 1.00 0.00 O ATOM 858 CB TYR A 162 -7.465 -3.071 1.194 1.00 0.00 C ATOM 859 CG TYR A 162 -8.544 -3.030 0.136 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.994 -1.820 -0.379 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.112 -4.201 -0.351 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.980 -1.778 -1.345 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.098 -4.168 -1.318 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.529 -2.954 -1.812 1.00 0.00 C ATOM 865 OH TYR A 162 -11.510 -2.916 -2.776 1.00 0.00 O ATOM 0 H TYR A 162 -5.366 -4.657 0.129 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.095 -1.796 0.137 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.453 -4.060 1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.713 -2.359 1.981 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.565 -0.897 -0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -8.777 -5.153 0.033 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -10.320 -0.829 -1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -10.529 -5.088 -1.685 1.00 0.00 H new ATOM 0 HH TYR A 162 -11.789 -3.830 -2.995 1.00 0.00 H new ATOM 875 N CYS A 163 -4.539 -1.451 2.016 1.00 0.00 N ATOM 876 CA CYS A 163 -3.579 -1.215 3.087 1.00 0.00 C ATOM 877 C CYS A 163 -4.182 -1.567 4.444 1.00 0.00 C ATOM 878 O CYS A 163 -5.295 -2.084 4.524 1.00 0.00 O ATOM 879 CB CYS A 163 -3.127 0.246 3.081 1.00 0.00 C ATOM 880 SG CYS A 163 -4.351 1.407 3.769 1.00 0.00 S ATOM 0 H CYS A 163 -4.751 -0.628 1.451 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.715 -1.857 2.915 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.202 0.331 3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.899 0.540 2.057 1.00 0.00 H new ATOM 885 N GLU A 164 -3.437 -1.281 5.508 1.00 0.00 N ATOM 886 CA GLU A 164 -3.898 -1.568 6.861 1.00 0.00 C ATOM 887 C GLU A 164 -5.146 -0.756 7.195 1.00 0.00 C ATOM 888 O GLU A 164 -6.123 -1.287 7.725 1.00 0.00 O ATOM 889 CB GLU A 164 -2.793 -1.265 7.875 1.00 0.00 C ATOM 890 CG GLU A 164 -2.247 0.149 7.776 1.00 0.00 C ATOM 891 CD GLU A 164 -0.763 0.224 8.079 1.00 0.00 C ATOM 892 OE1 GLU A 164 0.044 0.007 7.150 1.00 0.00 O ATOM 893 OE2 GLU A 164 -0.408 0.500 9.244 1.00 0.00 O ATOM 0 H GLU A 164 -2.513 -0.851 5.459 1.00 0.00 H new ATOM 0 HA GLU A 164 -4.150 -2.627 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -3.181 -1.426 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -1.976 -1.972 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -2.429 0.535 6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.789 0.793 8.469 1.00 0.00 H new ATOM 900 N LEU A 165 -5.106 0.534 6.882 1.00 0.00 N ATOM 901 CA LEU A 165 -6.233 1.421 7.148 1.00 0.00 C ATOM 902 C LEU A 165 -7.527 0.842 6.585 1.00 0.00 C ATOM 903 O LEU A 165 -8.486 0.607 7.321 1.00 0.00 O ATOM 904 CB LEU A 165 -5.974 2.802 6.544 1.00 0.00 C ATOM 905 CG LEU A 165 -4.589 3.398 6.799 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.491 4.796 6.208 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.288 3.426 8.291 1.00 0.00 C ATOM 0 H LEU A 165 -4.305 0.989 6.444 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.340 1.518 8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.128 2.740 5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.722 3.493 6.933 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.847 2.767 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.498 5.203 6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.663 4.749 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.242 5.439 6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.299 3.853 8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -5.035 4.034 8.801 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.315 2.411 8.687 1.00 0.00 H new ATOM 919 N CYS A 166 -7.546 0.612 5.277 1.00 0.00 N ATOM 920 CA CYS A 166 -8.721 0.058 4.615 1.00 0.00 C ATOM 921 C CYS A 166 -9.015 -1.352 5.118 1.00 0.00 C ATOM 922 O CYS A 166 -10.173 -1.728 5.300 1.00 0.00 O ATOM 923 CB CYS A 166 -8.515 0.038 3.099 1.00 0.00 C ATOM 924 SG CYS A 166 -8.217 1.679 2.367 1.00 0.00 S ATOM 0 H CYS A 166 -6.761 0.801 4.654 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.574 0.694 4.851 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.670 -0.610 2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.394 -0.403 2.629 1.00 0.00 H new ATOM 929 N ARG A 167 -7.959 -2.127 5.342 1.00 0.00 N ATOM 930 CA ARG A 167 -8.104 -3.495 5.824 1.00 0.00 C ATOM 931 C ARG A 167 -8.939 -3.537 7.100 1.00 0.00 C ATOM 932 O ARG A 167 -9.921 -4.276 7.188 1.00 0.00 O ATOM 933 CB ARG A 167 -6.729 -4.116 6.081 1.00 0.00 C ATOM 934 CG ARG A 167 -6.185 -4.901 4.899 1.00 0.00 C ATOM 935 CD ARG A 167 -5.975 -6.365 5.253 1.00 0.00 C ATOM 936 NE ARG A 167 -4.634 -6.615 5.775 1.00 0.00 N ATOM 937 CZ ARG A 167 -4.210 -7.810 6.170 1.00 0.00 C ATOM 938 NH1 ARG A 167 -5.017 -8.860 6.102 1.00 0.00 N ATOM 939 NH2 ARG A 167 -2.976 -7.958 6.635 1.00 0.00 N ATOM 0 H ARG A 167 -6.994 -1.831 5.197 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.618 -4.072 5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -6.024 -3.325 6.336 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.794 -4.776 6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -6.877 -4.824 4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -5.240 -4.465 4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -6.715 -6.669 5.994 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -6.140 -6.979 4.368 1.00 0.00 H new ATOM 0 HE ARG A 167 -3.988 -5.829 5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -5.966 -8.751 5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -4.688 -9.776 6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.352 -7.153 6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.652 -8.876 6.938 1.00 0.00 H new ATOM 953 N LEU A 168 -8.543 -2.740 8.086 1.00 0.00 N ATOM 954 CA LEU A 168 -9.255 -2.686 9.358 1.00 0.00 C ATOM 955 C LEU A 168 -10.649 -2.093 9.178 1.00 0.00 C ATOM 956 O LEU A 168 -11.626 -2.600 9.729 1.00 0.00 O ATOM 957 CB LEU A 168 -8.464 -1.858 10.373 1.00 0.00 C ATOM 958 CG LEU A 168 -7.546 -2.643 11.310 1.00 0.00 C ATOM 959 CD1 LEU A 168 -6.591 -1.705 12.032 1.00 0.00 C ATOM 960 CD2 LEU A 168 -8.365 -3.447 12.309 1.00 0.00 C ATOM 0 H LEU A 168 -7.733 -2.122 8.029 1.00 0.00 H new ATOM 0 HA LEU A 168 -9.359 -3.705 9.731 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -7.859 -1.133 9.828 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -9.171 -1.292 10.980 1.00 0.00 H new ATOM 0 HG LEU A 168 -6.956 -3.338 10.712 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -5.946 -2.282 12.694 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -5.980 -1.175 11.301 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -7.162 -0.985 12.618 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -7.695 -3.999 12.968 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -8.981 -2.771 12.902 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -9.006 -4.147 11.774 1.00 0.00 H new ATOM 972 N SER A 169 -10.733 -1.018 8.400 1.00 0.00 N ATOM 973 CA SER A 169 -12.008 -0.355 8.148 1.00 0.00 C ATOM 974 C SER A 169 -12.979 -1.296 7.441 1.00 0.00 C ATOM 975 O SER A 169 -14.195 -1.132 7.530 1.00 0.00 O ATOM 976 CB SER A 169 -11.794 0.903 7.304 1.00 0.00 C ATOM 977 OG SER A 169 -12.183 2.065 8.014 1.00 0.00 O ATOM 0 H SER A 169 -9.934 -0.588 7.934 1.00 0.00 H new ATOM 0 HA SER A 169 -12.438 -0.071 9.108 1.00 0.00 H new ATOM 0 HB2 SER A 169 -10.744 0.980 7.021 1.00 0.00 H new ATOM 0 HB3 SER A 169 -12.369 0.828 6.381 1.00 0.00 H new ATOM 0 HG SER A 169 -12.035 2.855 7.454 1.00 0.00 H new ATOM 983 N ARG A 170 -12.431 -2.283 6.738 1.00 0.00 N ATOM 984 CA ARG A 170 -13.248 -3.250 6.015 1.00 0.00 C ATOM 985 C ARG A 170 -13.506 -4.489 6.867 1.00 0.00 C ATOM 986 O ARG A 170 -14.512 -5.176 6.692 1.00 0.00 O ATOM 987 CB ARG A 170 -12.563 -3.651 4.707 1.00 0.00 C ATOM 988 CG ARG A 170 -13.002 -2.823 3.510 1.00 0.00 C ATOM 989 CD ARG A 170 -12.483 -1.397 3.598 1.00 0.00 C ATOM 990 NE ARG A 170 -13.254 -0.481 2.762 1.00 0.00 N ATOM 991 CZ ARG A 170 -13.119 -0.399 1.443 1.00 0.00 C ATOM 992 NH1 ARG A 170 -12.247 -1.174 0.814 1.00 0.00 N ATOM 993 NH2 ARG A 170 -13.857 0.460 0.751 1.00 0.00 N ATOM 0 H ARG A 170 -11.426 -2.433 6.654 1.00 0.00 H new ATOM 0 HA ARG A 170 -14.205 -2.781 5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -11.484 -3.556 4.828 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -12.769 -4.702 4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -12.640 -3.287 2.593 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -14.090 -2.812 3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -12.521 -1.061 4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -11.437 -1.373 3.293 1.00 0.00 H new ATOM 0 HE ARG A 170 -13.934 0.129 3.216 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -11.678 -1.835 1.343 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -12.145 -1.109 -0.199 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -14.529 1.058 1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -13.752 0.522 -0.262 1.00 0.00 H new ATOM 1007 N ALA A 171 -12.590 -4.768 7.788 1.00 0.00 N ATOM 1008 CA ALA A 171 -12.719 -5.923 8.668 1.00 0.00 C ATOM 1009 C ALA A 171 -11.563 -5.990 9.660 1.00 0.00 C ATOM 1010 O ALA A 171 -11.757 -5.835 10.866 1.00 0.00 O ATOM 1011 CB ALA A 171 -12.791 -7.204 7.850 1.00 0.00 C ATOM 0 H ALA A 171 -11.750 -4.210 7.944 1.00 0.00 H new ATOM 0 HA ALA A 171 -13.643 -5.815 9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -12.887 -8.059 8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -13.655 -7.164 7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -11.883 -7.308 7.257 1.00 0.00 H new ATOM 1017 N ASP A 172 -10.361 -6.223 9.145 1.00 0.00 N ATOM 1018 CA ASP A 172 -9.172 -6.310 9.985 1.00 0.00 C ATOM 1019 C ASP A 172 -7.904 -6.191 9.147 1.00 0.00 C ATOM 1020 O ASP A 172 -7.564 -7.132 8.432 1.00 0.00 O ATOM 1021 CB ASP A 172 -9.165 -7.629 10.760 1.00 0.00 C ATOM 1022 CG ASP A 172 -7.974 -7.747 11.690 1.00 0.00 C ATOM 1023 OD1 ASP A 172 -7.852 -6.910 12.609 1.00 0.00 O ATOM 1024 OD2 ASP A 172 -7.163 -8.678 11.499 1.00 0.00 O ATOM 0 H ASP A 172 -10.184 -6.355 8.149 1.00 0.00 H new ATOM 0 HA ASP A 172 -9.196 -5.482 10.693 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -10.084 -7.712 11.340 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -9.156 -8.461 10.056 1.00 0.00 H new TER 1029 ASP A 172 HETATM 1030 ZN ZN A 901 7.704 -3.041 2.456 1.00 0.00 ZN HETATM 1031 ZN ZN A 902 -5.850 1.923 1.901 1.00 0.00 ZN