USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 444 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 152 HIS HD1 : A 152 HIS ND1 : A 182 ZNZN :(H bumps) USER MOD Set 1.1: A 168 CYS SG : rot 177:sc= 0.168 USER MOD Set 1.2: A 171 CYS SG : rot 71:sc= -0.666 USER MOD Set 2.1: A 146 HIS : no HD1:sc= -0.654 K(o=-0.76,f=0.38) USER MOD Set 2.2: A 172 SER OG : rot 180:sc= -0.11 USER MOD Set 3.1: A 143 HIS : no HD1:sc= -2.35 K(o=-2.8,f=-1.8) USER MOD Set 3.2: A 153 SER OG : rot 88:sc= -0.418 USER MOD Single : A 126 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -3.56 K(o=-3.6,f=-7.2!) USER MOD Single : A 131 ASN : amide:sc= -0.448 K(o=-0.45,f=-5.8!) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0432) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -1.81 K(o=-1.8,f=-6.9!) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 GLN : amide:sc= -0.197 K(o=-0.2,f=-0.9) USER MOD Single : A 175 HIS : no HE2:sc= 0.798 K(o=0.8,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 2.276 15.120 -6.076 1.00 0.00 N ATOM 2 CA ALA A 124 1.622 14.420 -4.940 1.00 0.00 C ATOM 3 C ALA A 124 0.802 13.231 -5.426 1.00 0.00 C ATOM 4 O ALA A 124 -0.128 13.387 -6.218 1.00 0.00 O ATOM 5 CB ALA A 124 0.740 15.387 -4.163 1.00 0.00 C ATOM 0 HA ALA A 124 2.403 14.044 -4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.267 14.862 -3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.349 16.204 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -0.028 15.789 -4.823 1.00 0.00 H new ATOM 11 N ILE A 125 1.152 12.041 -4.948 1.00 0.00 N ATOM 12 CA ILE A 125 0.446 10.825 -5.334 1.00 0.00 C ATOM 13 C ILE A 125 -0.491 10.358 -4.227 1.00 0.00 C ATOM 14 O ILE A 125 -0.289 10.675 -3.054 1.00 0.00 O ATOM 15 CB ILE A 125 1.431 9.688 -5.670 1.00 0.00 C ATOM 16 CG1 ILE A 125 2.517 10.189 -6.622 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.689 8.507 -6.277 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.535 9.129 -6.988 1.00 0.00 C ATOM 0 H ILE A 125 1.920 11.893 -4.293 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.138 11.066 -6.222 1.00 0.00 H new ATOM 0 HB ILE A 125 1.909 9.357 -4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.048 10.561 -7.533 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.032 11.032 -6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.398 7.712 -6.509 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.050 8.138 -5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.187 8.824 -7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.275 9.554 -7.666 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.031 8.774 -6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 125 3.032 8.295 -7.477 1.00 0.00 H new ATOM 30 N CYS A 126 -1.519 9.605 -4.605 1.00 0.00 N ATOM 31 CA CYS A 126 -2.489 9.095 -3.644 1.00 0.00 C ATOM 32 C CYS A 126 -2.320 7.592 -3.445 1.00 0.00 C ATOM 33 O CYS A 126 -1.790 6.896 -4.312 1.00 0.00 O ATOM 34 CB CYS A 126 -3.911 9.403 -4.112 1.00 0.00 C ATOM 35 SG CYS A 126 -4.486 11.063 -3.687 1.00 0.00 S ATOM 0 H CYS A 126 -1.701 9.335 -5.571 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.313 9.591 -2.689 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -3.961 9.279 -5.194 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.592 8.672 -3.676 1.00 0.00 H new ATOM 0 HG CYS A 126 -5.698 11.228 -4.127 1.00 0.00 H new ATOM 41 N CYS A 127 -2.776 7.095 -2.299 1.00 0.00 N ATOM 42 CA CYS A 127 -2.675 5.675 -1.987 1.00 0.00 C ATOM 43 C CYS A 127 -3.497 4.844 -2.967 1.00 0.00 C ATOM 44 O CYS A 127 -4.691 5.080 -3.149 1.00 0.00 O ATOM 45 CB CYS A 127 -3.148 5.410 -0.557 1.00 0.00 C ATOM 46 SG CYS A 127 -2.771 3.748 0.050 1.00 0.00 S ATOM 0 H CYS A 127 -3.219 7.656 -1.571 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.629 5.383 -2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.688 6.141 0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.225 5.568 -0.507 1.00 0.00 H new ATOM 51 N GLN A 128 -2.848 3.870 -3.599 1.00 0.00 N ATOM 52 CA GLN A 128 -3.518 3.004 -4.562 1.00 0.00 C ATOM 53 C GLN A 128 -4.710 2.293 -3.925 1.00 0.00 C ATOM 54 O GLN A 128 -5.655 1.909 -4.615 1.00 0.00 O ATOM 55 CB GLN A 128 -2.535 1.972 -5.121 1.00 0.00 C ATOM 56 CG GLN A 128 -1.835 1.154 -4.050 1.00 0.00 C ATOM 57 CD GLN A 128 -0.447 0.712 -4.471 1.00 0.00 C ATOM 58 OE1 GLN A 128 0.527 0.916 -3.747 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.352 0.100 -5.645 1.00 0.00 N ATOM 0 H GLN A 128 -1.859 3.661 -3.461 1.00 0.00 H new ATOM 0 HA GLN A 128 -3.885 3.628 -5.377 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.071 1.297 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -1.785 2.486 -5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -1.763 1.744 -3.136 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -2.437 0.276 -3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -1.187 -0.048 -6.212 1.00 0.00 H new ATOM 0 HE22 GLN A 128 0.556 -0.223 -5.980 1.00 0.00 H new ATOM 68 N VAL A 129 -4.660 2.123 -2.607 1.00 0.00 N ATOM 69 CA VAL A 129 -5.735 1.460 -1.881 1.00 0.00 C ATOM 70 C VAL A 129 -7.062 2.188 -2.082 1.00 0.00 C ATOM 71 O VAL A 129 -7.123 3.417 -2.017 1.00 0.00 O ATOM 72 CB VAL A 129 -5.423 1.375 -0.374 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.501 0.588 0.358 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.053 0.750 -0.149 1.00 0.00 C ATOM 0 H VAL A 129 -3.886 2.436 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.817 0.450 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.411 2.387 0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.260 0.541 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.464 1.081 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.552 -0.423 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.848 0.697 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.038 -0.255 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.291 1.359 -0.635 1.00 0.00 H new ATOM 84 N ASP A 130 -8.120 1.422 -2.330 1.00 0.00 N ATOM 85 CA ASP A 130 -9.446 1.992 -2.548 1.00 0.00 C ATOM 86 C ASP A 130 -9.872 2.862 -1.367 1.00 0.00 C ATOM 87 O ASP A 130 -9.830 4.090 -1.443 1.00 0.00 O ATOM 88 CB ASP A 130 -10.470 0.876 -2.774 1.00 0.00 C ATOM 89 CG ASP A 130 -11.126 0.962 -4.139 1.00 0.00 C ATOM 90 OD1 ASP A 130 -12.077 1.757 -4.292 1.00 0.00 O ATOM 91 OD2 ASP A 130 -10.687 0.235 -5.054 1.00 0.00 O ATOM 0 H ASP A 130 -8.085 0.404 -2.385 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.401 2.622 -3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -9.978 -0.091 -2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.237 0.928 -2.001 1.00 0.00 H new ATOM 96 N ASN A 131 -10.284 2.218 -0.280 1.00 0.00 N ATOM 97 CA ASN A 131 -10.721 2.933 0.915 1.00 0.00 C ATOM 98 C ASN A 131 -9.543 3.623 1.598 1.00 0.00 C ATOM 99 O ASN A 131 -9.155 3.256 2.708 1.00 0.00 O ATOM 100 CB ASN A 131 -11.401 1.969 1.889 1.00 0.00 C ATOM 101 CG ASN A 131 -12.535 1.198 1.243 1.00 0.00 C ATOM 102 OD1 ASN A 131 -12.379 0.627 0.164 1.00 0.00 O ATOM 103 ND2 ASN A 131 -13.687 1.176 1.902 1.00 0.00 N ATOM 0 H ASN A 131 -10.325 1.202 -0.201 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.437 3.697 0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -10.662 1.267 2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -11.786 2.529 2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.486 0.672 1.516 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.774 1.663 2.794 1.00 0.00 H new ATOM 110 N CYS A 132 -8.978 4.626 0.931 1.00 0.00 N ATOM 111 CA CYS A 132 -7.846 5.363 1.480 1.00 0.00 C ATOM 112 C CYS A 132 -7.529 6.589 0.629 1.00 0.00 C ATOM 113 O CYS A 132 -6.945 6.474 -0.448 1.00 0.00 O ATOM 114 CB CYS A 132 -6.617 4.458 1.566 1.00 0.00 C ATOM 115 SG CYS A 132 -5.384 4.995 2.775 1.00 0.00 S ATOM 0 H CYS A 132 -9.285 4.946 0.012 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.115 5.698 2.482 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -6.940 3.448 1.818 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.148 4.407 0.583 1.00 0.00 H new ATOM 120 N GLY A 133 -7.915 7.760 1.123 1.00 0.00 N ATOM 121 CA GLY A 133 -7.660 8.990 0.397 1.00 0.00 C ATOM 122 C GLY A 133 -6.418 9.706 0.891 1.00 0.00 C ATOM 123 O GLY A 133 -6.317 10.929 0.791 1.00 0.00 O ATOM 0 H GLY A 133 -8.400 7.879 2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.549 8.766 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.521 9.652 0.495 1.00 0.00 H new ATOM 127 N ALA A 134 -5.471 8.942 1.428 1.00 0.00 N ATOM 128 CA ALA A 134 -4.230 9.509 1.941 1.00 0.00 C ATOM 129 C ALA A 134 -3.447 10.210 0.837 1.00 0.00 C ATOM 130 O ALA A 134 -3.400 9.738 -0.299 1.00 0.00 O ATOM 131 CB ALA A 134 -3.382 8.422 2.585 1.00 0.00 C ATOM 0 H ALA A 134 -5.540 7.928 1.519 1.00 0.00 H new ATOM 0 HA ALA A 134 -4.484 10.253 2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.458 8.858 2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -3.934 7.970 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.145 7.658 1.844 1.00 0.00 H new ATOM 137 N ASP A 135 -2.836 11.338 1.178 1.00 0.00 N ATOM 138 CA ASP A 135 -2.055 12.106 0.216 1.00 0.00 C ATOM 139 C ASP A 135 -0.560 11.880 0.426 1.00 0.00 C ATOM 140 O ASP A 135 -0.007 12.253 1.460 1.00 0.00 O ATOM 141 CB ASP A 135 -2.380 13.596 0.335 1.00 0.00 C ATOM 142 CG ASP A 135 -2.388 14.295 -1.009 1.00 0.00 C ATOM 143 OD1 ASP A 135 -1.294 14.631 -1.511 1.00 0.00 O ATOM 144 OD2 ASP A 135 -3.488 14.508 -1.561 1.00 0.00 O ATOM 0 H ASP A 135 -2.866 11.742 2.114 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.319 11.764 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.354 13.716 0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.648 14.074 0.986 1.00 0.00 H new ATOM 149 N LEU A 136 0.084 11.268 -0.561 1.00 0.00 N ATOM 150 CA LEU A 136 1.514 10.992 -0.483 1.00 0.00 C ATOM 151 C LEU A 136 2.327 12.199 -0.945 1.00 0.00 C ATOM 152 O LEU A 136 3.133 12.103 -1.871 1.00 0.00 O ATOM 153 CB LEU A 136 1.866 9.768 -1.332 1.00 0.00 C ATOM 154 CG LEU A 136 1.020 8.524 -1.057 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.092 7.559 -2.229 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.475 7.845 0.226 1.00 0.00 C ATOM 0 H LEU A 136 -0.360 10.954 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 136 1.763 10.786 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.763 10.033 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.914 9.520 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.018 8.833 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.484 6.680 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.717 8.049 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.127 7.254 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.863 6.962 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.520 7.549 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.369 8.537 1.061 1.00 0.00 H new ATOM 168 N SER A 137 2.107 13.337 -0.293 1.00 0.00 N ATOM 169 CA SER A 137 2.818 14.563 -0.636 1.00 0.00 C ATOM 170 C SER A 137 3.799 14.949 0.466 1.00 0.00 C ATOM 171 O SER A 137 4.863 15.503 0.197 1.00 0.00 O ATOM 172 CB SER A 137 1.825 15.704 -0.872 1.00 0.00 C ATOM 173 OG SER A 137 2.450 16.799 -1.518 1.00 0.00 O ATOM 0 H SER A 137 1.443 13.435 0.475 1.00 0.00 H new ATOM 0 HA SER A 137 3.380 14.383 -1.552 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.993 15.346 -1.479 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.408 16.030 0.081 1.00 0.00 H new ATOM 0 HG SER A 137 1.794 17.514 -1.659 1.00 0.00 H new ATOM 179 N LYS A 138 3.432 14.649 1.708 1.00 0.00 N ATOM 180 CA LYS A 138 4.279 14.962 2.853 1.00 0.00 C ATOM 181 C LYS A 138 5.480 14.022 2.913 1.00 0.00 C ATOM 182 O LYS A 138 6.556 14.406 3.371 1.00 0.00 O ATOM 183 CB LYS A 138 3.474 14.864 4.150 1.00 0.00 C ATOM 184 CG LYS A 138 3.969 15.798 5.245 1.00 0.00 C ATOM 185 CD LYS A 138 4.395 15.029 6.486 1.00 0.00 C ATOM 186 CE LYS A 138 4.192 15.852 7.747 1.00 0.00 C ATOM 187 NZ LYS A 138 5.285 15.633 8.736 1.00 0.00 N ATOM 0 H LYS A 138 2.553 14.189 1.947 1.00 0.00 H new ATOM 0 HA LYS A 138 4.644 15.982 2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.429 15.089 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.512 13.838 4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 138 4.810 16.383 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.180 16.504 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.822 14.105 6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 138 5.444 14.748 6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.145 16.909 7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 138 3.235 15.592 8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.109 16.212 9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 5.314 14.629 9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 6.195 15.905 8.313 1.00 0.00 H new ATOM 201 N VAL A 139 5.286 12.792 2.449 1.00 0.00 N ATOM 202 CA VAL A 139 6.353 11.798 2.450 1.00 0.00 C ATOM 203 C VAL A 139 7.502 12.224 1.543 1.00 0.00 C ATOM 204 O VAL A 139 7.431 13.257 0.877 1.00 0.00 O ATOM 205 CB VAL A 139 5.838 10.421 1.994 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.832 9.868 2.993 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.225 10.514 0.605 1.00 0.00 C ATOM 0 H VAL A 139 4.400 12.460 2.068 1.00 0.00 H new ATOM 0 HA VAL A 139 6.713 11.722 3.476 1.00 0.00 H new ATOM 0 HB VAL A 139 6.683 9.735 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 139 4.479 8.894 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 139 5.308 9.762 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.987 10.552 3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.866 9.531 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.391 11.216 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 139 5.978 10.862 -0.102 1.00 0.00 H new ATOM 217 N LYS A 140 8.560 11.419 1.523 1.00 0.00 N ATOM 218 CA LYS A 140 9.726 11.712 0.696 1.00 0.00 C ATOM 219 C LYS A 140 9.719 10.867 -0.572 1.00 0.00 C ATOM 220 O LYS A 140 9.389 11.354 -1.654 1.00 0.00 O ATOM 221 CB LYS A 140 11.013 11.461 1.486 1.00 0.00 C ATOM 222 CG LYS A 140 11.305 12.530 2.526 1.00 0.00 C ATOM 223 CD LYS A 140 12.357 13.513 2.035 1.00 0.00 C ATOM 224 CE LYS A 140 11.724 14.687 1.304 1.00 0.00 C ATOM 225 NZ LYS A 140 12.642 15.267 0.286 1.00 0.00 N ATOM 0 H LYS A 140 8.634 10.560 2.069 1.00 0.00 H new ATOM 0 HA LYS A 140 9.684 12.763 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 140 10.942 10.493 1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.851 11.403 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 140 10.387 13.067 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.648 12.059 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 140 12.937 13.880 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 140 13.053 13.001 1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 140 10.804 14.360 0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 140 11.448 15.457 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 12.173 16.064 -0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 13.509 15.603 0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 12.886 14.540 -0.416 1.00 0.00 H new ATOM 239 N ASP A 141 10.084 9.599 -0.430 1.00 0.00 N ATOM 240 CA ASP A 141 10.122 8.680 -1.561 1.00 0.00 C ATOM 241 C ASP A 141 9.791 7.259 -1.119 1.00 0.00 C ATOM 242 O ASP A 141 9.359 7.035 0.011 1.00 0.00 O ATOM 243 CB ASP A 141 11.499 8.714 -2.227 1.00 0.00 C ATOM 244 CG ASP A 141 11.412 8.644 -3.739 1.00 0.00 C ATOM 245 OD1 ASP A 141 10.697 7.757 -4.252 1.00 0.00 O ATOM 246 OD2 ASP A 141 12.059 9.476 -4.410 1.00 0.00 O ATOM 0 H ASP A 141 10.359 9.183 0.460 1.00 0.00 H new ATOM 0 HA ASP A 141 9.370 9.000 -2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 141 12.017 9.628 -1.938 1.00 0.00 H new ATOM 0 HB3 ASP A 141 12.097 7.879 -1.861 1.00 0.00 H new ATOM 251 N TYR A 142 9.999 6.301 -2.019 1.00 0.00 N ATOM 252 CA TYR A 142 9.724 4.897 -1.726 1.00 0.00 C ATOM 253 C TYR A 142 8.224 4.651 -1.596 1.00 0.00 C ATOM 254 O TYR A 142 7.625 3.957 -2.418 1.00 0.00 O ATOM 255 CB TYR A 142 10.438 4.466 -0.442 1.00 0.00 C ATOM 256 CG TYR A 142 10.519 2.967 -0.267 1.00 0.00 C ATOM 257 CD1 TYR A 142 9.386 2.222 0.037 1.00 0.00 C ATOM 258 CD2 TYR A 142 11.728 2.295 -0.405 1.00 0.00 C ATOM 259 CE1 TYR A 142 9.455 0.851 0.199 1.00 0.00 C ATOM 260 CE2 TYR A 142 11.805 0.925 -0.244 1.00 0.00 C ATOM 261 CZ TYR A 142 10.667 0.208 0.057 1.00 0.00 C ATOM 262 OH TYR A 142 10.741 -1.157 0.217 1.00 0.00 O ATOM 0 H TYR A 142 10.358 6.472 -2.958 1.00 0.00 H new ATOM 0 HA TYR A 142 10.102 4.301 -2.557 1.00 0.00 H new ATOM 0 HB2 TYR A 142 11.447 4.878 -0.442 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.918 4.896 0.414 1.00 0.00 H new ATOM 0 HD1 TYR A 142 8.436 2.723 0.149 1.00 0.00 H new ATOM 0 HD2 TYR A 142 12.622 2.853 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 142 8.565 0.287 0.435 1.00 0.00 H new ATOM 0 HE2 TYR A 142 12.752 0.418 -0.353 1.00 0.00 H new ATOM 0 HH TYR A 142 11.666 -1.452 0.083 1.00 0.00 H new ATOM 272 N HIS A 143 7.623 5.222 -0.557 1.00 0.00 N ATOM 273 CA HIS A 143 6.193 5.063 -0.320 1.00 0.00 C ATOM 274 C HIS A 143 5.381 5.751 -1.413 1.00 0.00 C ATOM 275 O HIS A 143 4.296 5.293 -1.775 1.00 0.00 O ATOM 276 CB HIS A 143 5.816 5.637 1.047 1.00 0.00 C ATOM 277 CG HIS A 143 6.015 4.673 2.175 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.675 5.003 3.340 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.634 3.380 2.314 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.692 3.955 4.146 1.00 0.00 C ATOM 281 NE2 HIS A 143 6.067 2.959 3.547 1.00 0.00 N ATOM 0 H HIS A 143 8.104 5.798 0.134 1.00 0.00 H new ATOM 0 HA HIS A 143 5.963 3.998 -0.337 1.00 0.00 H new ATOM 0 HB2 HIS A 143 6.412 6.531 1.234 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.772 5.949 1.026 1.00 0.00 H new ATOM 0 HD2 HIS A 143 5.091 2.791 1.590 1.00 0.00 H new ATOM 0 HE1 HIS A 143 7.141 3.920 5.128 1.00 0.00 H new ATOM 0 HE2 HIS A 143 5.928 2.027 3.937 1.00 0.00 H new ATOM 289 N ARG A 144 5.910 6.853 -1.934 1.00 0.00 N ATOM 290 CA ARG A 144 5.233 7.602 -2.985 1.00 0.00 C ATOM 291 C ARG A 144 5.266 6.840 -4.306 1.00 0.00 C ATOM 292 O ARG A 144 4.240 6.679 -4.967 1.00 0.00 O ATOM 293 CB ARG A 144 5.881 8.977 -3.159 1.00 0.00 C ATOM 294 CG ARG A 144 5.067 9.928 -4.023 1.00 0.00 C ATOM 295 CD ARG A 144 5.963 10.790 -4.898 1.00 0.00 C ATOM 296 NE ARG A 144 6.897 11.587 -4.108 1.00 0.00 N ATOM 297 CZ ARG A 144 6.544 12.656 -3.397 1.00 0.00 C ATOM 298 NH1 ARG A 144 5.279 13.059 -3.377 1.00 0.00 N ATOM 299 NH2 ARG A 144 7.457 13.324 -2.706 1.00 0.00 N ATOM 0 H ARG A 144 6.805 7.247 -1.645 1.00 0.00 H new ATOM 0 HA ARG A 144 4.192 7.733 -2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 144 6.028 9.427 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 144 6.868 8.851 -3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 144 4.384 9.356 -4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 144 4.455 10.567 -3.386 1.00 0.00 H new ATOM 0 HD2 ARG A 144 6.521 10.153 -5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 144 5.347 11.452 -5.507 1.00 0.00 H new ATOM 0 HE ARG A 144 7.878 11.308 -4.100 1.00 0.00 H new ATOM 0 HH11 ARG A 144 4.573 12.549 -3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 144 5.013 13.878 -2.831 1.00 0.00 H new ATOM 0 HH21 ARG A 144 8.430 13.019 -2.719 1.00 0.00 H new ATOM 0 HH22 ARG A 144 7.186 14.143 -2.161 1.00 0.00 H new ATOM 313 N ARG A 145 6.451 6.375 -4.686 1.00 0.00 N ATOM 314 CA ARG A 145 6.616 5.630 -5.930 1.00 0.00 C ATOM 315 C ARG A 145 5.757 4.371 -5.928 1.00 0.00 C ATOM 316 O ARG A 145 5.217 3.974 -6.959 1.00 0.00 O ATOM 317 CB ARG A 145 8.087 5.259 -6.136 1.00 0.00 C ATOM 318 CG ARG A 145 8.879 6.313 -6.892 1.00 0.00 C ATOM 319 CD ARG A 145 10.374 6.058 -6.799 1.00 0.00 C ATOM 320 NE ARG A 145 10.743 4.759 -7.355 1.00 0.00 N ATOM 321 CZ ARG A 145 11.989 4.421 -7.683 1.00 0.00 C ATOM 322 NH1 ARG A 145 12.984 5.282 -7.516 1.00 0.00 N ATOM 323 NH2 ARG A 145 12.238 3.218 -8.182 1.00 0.00 N ATOM 0 H ARG A 145 7.311 6.500 -4.152 1.00 0.00 H new ATOM 0 HA ARG A 145 6.291 6.268 -6.752 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.552 5.095 -5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 145 8.143 4.315 -6.679 1.00 0.00 H new ATOM 0 HG2 ARG A 145 8.574 6.318 -7.938 1.00 0.00 H new ATOM 0 HG3 ARG A 145 8.651 7.300 -6.489 1.00 0.00 H new ATOM 0 HD2 ARG A 145 10.910 6.845 -7.330 1.00 0.00 H new ATOM 0 HD3 ARG A 145 10.686 6.108 -5.756 1.00 0.00 H new ATOM 0 HE ARG A 145 10.004 4.071 -7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 145 12.797 6.209 -7.134 1.00 0.00 H new ATOM 0 HH12 ARG A 145 13.936 5.017 -7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 145 11.476 2.553 -8.314 1.00 0.00 H new ATOM 0 HH22 ARG A 145 13.192 2.958 -8.434 1.00 0.00 H new ATOM 337 N HIS A 146 5.634 3.746 -4.761 1.00 0.00 N ATOM 338 CA HIS A 146 4.838 2.532 -4.623 1.00 0.00 C ATOM 339 C HIS A 146 3.344 2.849 -4.620 1.00 0.00 C ATOM 340 O HIS A 146 2.514 1.963 -4.824 1.00 0.00 O ATOM 341 CB HIS A 146 5.216 1.792 -3.338 1.00 0.00 C ATOM 342 CG HIS A 146 6.534 1.086 -3.420 1.00 0.00 C ATOM 343 ND1 HIS A 146 7.021 0.533 -4.585 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.470 0.844 -2.472 1.00 0.00 C ATOM 345 CE1 HIS A 146 8.198 -0.018 -4.350 1.00 0.00 C ATOM 346 NE2 HIS A 146 8.493 0.158 -3.076 1.00 0.00 N ATOM 0 H HIS A 146 6.076 4.061 -3.897 1.00 0.00 H new ATOM 0 HA HIS A 146 5.051 1.893 -5.480 1.00 0.00 H new ATOM 0 HB2 HIS A 146 5.245 2.504 -2.513 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.438 1.066 -3.104 1.00 0.00 H new ATOM 0 HD2 HIS A 146 7.420 1.137 -1.434 1.00 0.00 H new ATOM 0 HE1 HIS A 146 8.814 -0.526 -5.077 1.00 0.00 H new ATOM 0 HE2 HIS A 146 9.344 -0.164 -2.615 1.00 0.00 H new ATOM 354 N LYS A 147 3.006 4.115 -4.385 1.00 0.00 N ATOM 355 CA LYS A 147 1.610 4.543 -4.354 1.00 0.00 C ATOM 356 C LYS A 147 0.875 3.909 -3.177 1.00 0.00 C ATOM 357 O LYS A 147 -0.252 3.435 -3.317 1.00 0.00 O ATOM 358 CB LYS A 147 0.910 4.180 -5.666 1.00 0.00 C ATOM 359 CG LYS A 147 1.652 4.656 -6.904 1.00 0.00 C ATOM 360 CD LYS A 147 1.123 3.988 -8.162 1.00 0.00 C ATOM 361 CE LYS A 147 1.530 4.751 -9.412 1.00 0.00 C ATOM 362 NZ LYS A 147 3.009 4.884 -9.527 1.00 0.00 N ATOM 0 H LYS A 147 3.679 4.862 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 147 1.591 5.626 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 147 0.792 3.098 -5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.091 4.611 -5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 147 1.552 5.738 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 147 2.715 4.442 -6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 147 1.500 2.967 -8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 147 0.036 3.924 -8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 147 1.142 4.238 -10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 147 1.077 5.742 -9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 3.251 5.273 -10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 3.359 5.523 -8.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 3.451 3.949 -9.416 1.00 0.00 H new ATOM 376 N VAL A 148 1.522 3.907 -2.017 1.00 0.00 N ATOM 377 CA VAL A 148 0.934 3.335 -0.813 1.00 0.00 C ATOM 378 C VAL A 148 1.399 4.085 0.433 1.00 0.00 C ATOM 379 O VAL A 148 2.555 4.494 0.526 1.00 0.00 O ATOM 380 CB VAL A 148 1.291 1.841 -0.669 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.797 1.658 -0.552 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.574 1.227 0.526 1.00 0.00 C ATOM 0 H VAL A 148 2.456 4.296 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.147 3.432 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 148 0.955 1.321 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.028 0.598 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.282 2.052 -1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.162 2.194 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.841 0.173 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.871 1.748 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.504 1.319 0.390 1.00 0.00 H new ATOM 392 N CYS A 149 0.490 4.262 1.386 1.00 0.00 N ATOM 393 CA CYS A 149 0.809 4.963 2.622 1.00 0.00 C ATOM 394 C CYS A 149 1.560 4.048 3.588 1.00 0.00 C ATOM 395 O CYS A 149 1.882 2.909 3.253 1.00 0.00 O ATOM 396 CB CYS A 149 -0.468 5.495 3.279 1.00 0.00 C ATOM 397 SG CYS A 149 -1.558 4.210 3.940 1.00 0.00 S ATOM 0 H CYS A 149 -0.472 3.930 1.325 1.00 0.00 H new ATOM 0 HA CYS A 149 1.455 5.806 2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.192 6.172 4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.021 6.083 2.547 1.00 0.00 H new ATOM 402 N GLU A 150 1.838 4.557 4.783 1.00 0.00 N ATOM 403 CA GLU A 150 2.554 3.786 5.793 1.00 0.00 C ATOM 404 C GLU A 150 1.657 2.716 6.409 1.00 0.00 C ATOM 405 O GLU A 150 2.137 1.677 6.862 1.00 0.00 O ATOM 406 CB GLU A 150 3.085 4.713 6.888 1.00 0.00 C ATOM 407 CG GLU A 150 4.460 5.287 6.584 1.00 0.00 C ATOM 408 CD GLU A 150 5.517 4.821 7.567 1.00 0.00 C ATOM 409 OE1 GLU A 150 5.164 4.538 8.730 1.00 0.00 O ATOM 410 OE2 GLU A 150 6.700 4.739 7.173 1.00 0.00 O ATOM 0 H GLU A 150 1.579 5.499 5.076 1.00 0.00 H new ATOM 0 HA GLU A 150 3.392 3.289 5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.381 5.533 7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.129 4.163 7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 150 4.755 4.999 5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.407 6.376 6.602 1.00 0.00 H new ATOM 417 N ILE A 151 0.354 2.978 6.428 1.00 0.00 N ATOM 418 CA ILE A 151 -0.606 2.035 6.993 1.00 0.00 C ATOM 419 C ILE A 151 -0.636 0.732 6.200 1.00 0.00 C ATOM 420 O ILE A 151 -0.184 -0.307 6.681 1.00 0.00 O ATOM 421 CB ILE A 151 -2.025 2.635 7.036 1.00 0.00 C ATOM 422 CG1 ILE A 151 -2.002 4.014 7.701 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.973 1.703 7.776 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.407 4.005 9.092 1.00 0.00 C ATOM 0 H ILE A 151 -0.061 3.834 6.060 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.279 1.825 8.011 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.383 2.751 6.013 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.432 4.701 7.075 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -3.020 4.400 7.753 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.971 2.141 7.798 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -3.010 0.741 7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.618 1.558 8.796 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.423 5.015 9.501 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.991 3.344 9.733 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.378 3.649 9.045 1.00 0.00 H new ATOM 436 N HIS A 152 -1.170 0.793 4.985 1.00 0.00 N ATOM 437 CA HIS A 152 -1.261 -0.385 4.127 1.00 0.00 C ATOM 438 C HIS A 152 0.124 -0.934 3.789 1.00 0.00 C ATOM 439 O HIS A 152 0.258 -2.082 3.364 1.00 0.00 O ATOM 440 CB HIS A 152 -2.017 -0.047 2.840 1.00 0.00 C ATOM 441 CG HIS A 152 -3.459 0.285 3.064 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.968 1.557 2.925 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.504 -0.499 3.423 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.262 1.546 3.190 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.613 0.310 3.492 1.00 0.00 N ATOM 0 H HIS A 152 -1.547 1.646 4.571 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.807 -1.154 4.673 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.529 0.797 2.353 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.949 -0.893 2.155 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.472 -1.561 3.618 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.920 2.402 3.164 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.555 0.005 3.737 1.00 0.00 H new ATOM 452 N SER A 153 1.153 -0.111 3.976 1.00 0.00 N ATOM 453 CA SER A 153 2.525 -0.521 3.687 1.00 0.00 C ATOM 454 C SER A 153 2.872 -1.821 4.402 1.00 0.00 C ATOM 455 O SER A 153 3.282 -2.798 3.776 1.00 0.00 O ATOM 456 CB SER A 153 3.505 0.580 4.097 1.00 0.00 C ATOM 457 OG SER A 153 3.844 1.399 2.992 1.00 0.00 O ATOM 0 H SER A 153 1.063 0.843 4.326 1.00 0.00 H new ATOM 0 HA SER A 153 2.606 -0.690 2.613 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.062 1.191 4.884 1.00 0.00 H new ATOM 0 HB3 SER A 153 4.408 0.132 4.512 1.00 0.00 H new ATOM 0 HG SER A 153 3.191 2.125 2.911 1.00 0.00 H new ATOM 463 N LYS A 154 2.707 -1.822 5.718 1.00 0.00 N ATOM 464 CA LYS A 154 3.004 -2.998 6.526 1.00 0.00 C ATOM 465 C LYS A 154 1.734 -3.569 7.150 1.00 0.00 C ATOM 466 O LYS A 154 1.746 -4.033 8.291 1.00 0.00 O ATOM 467 CB LYS A 154 4.014 -2.645 7.620 1.00 0.00 C ATOM 468 CG LYS A 154 3.446 -1.734 8.693 1.00 0.00 C ATOM 469 CD LYS A 154 3.589 -2.344 10.080 1.00 0.00 C ATOM 470 CE LYS A 154 2.924 -1.482 11.139 1.00 0.00 C ATOM 471 NZ LYS A 154 3.854 -0.452 11.682 1.00 0.00 N ATOM 0 H LYS A 154 2.368 -1.020 6.250 1.00 0.00 H new ATOM 0 HA LYS A 154 3.435 -3.758 5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 154 4.371 -3.564 8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 154 4.878 -2.162 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 154 3.959 -0.772 8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 154 2.393 -1.541 8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 154 3.145 -3.339 10.088 1.00 0.00 H new ATOM 0 HD3 LYS A 154 4.646 -2.464 10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 154 2.049 -0.992 10.711 1.00 0.00 H new ATOM 0 HE3 LYS A 154 2.569 -2.115 11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 3.362 0.115 12.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 4.677 -0.920 12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 4.173 0.169 10.911 1.00 0.00 H new ATOM 485 N ALA A 155 0.640 -3.533 6.396 1.00 0.00 N ATOM 486 CA ALA A 155 -0.635 -4.048 6.877 1.00 0.00 C ATOM 487 C ALA A 155 -0.870 -5.476 6.397 1.00 0.00 C ATOM 488 O ALA A 155 -0.078 -6.021 5.627 1.00 0.00 O ATOM 489 CB ALA A 155 -1.774 -3.145 6.422 1.00 0.00 C ATOM 0 H ALA A 155 0.612 -3.153 5.450 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.604 -4.059 7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.721 -3.541 6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.623 -2.141 6.819 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -1.794 -3.105 5.333 1.00 0.00 H new ATOM 495 N THR A 156 -1.961 -6.076 6.856 1.00 0.00 N ATOM 496 CA THR A 156 -2.302 -7.441 6.475 1.00 0.00 C ATOM 497 C THR A 156 -3.493 -7.463 5.522 1.00 0.00 C ATOM 498 O THR A 156 -3.619 -8.362 4.690 1.00 0.00 O ATOM 499 CB THR A 156 -2.631 -8.305 7.707 1.00 0.00 C ATOM 500 OG1 THR A 156 -1.668 -8.070 8.741 1.00 0.00 O ATOM 501 CG2 THR A 156 -2.643 -9.782 7.344 1.00 0.00 C ATOM 0 H THR A 156 -2.626 -5.638 7.494 1.00 0.00 H new ATOM 0 HA THR A 156 -1.428 -7.856 5.973 1.00 0.00 H new ATOM 0 HB THR A 156 -3.622 -8.027 8.065 1.00 0.00 H new ATOM 0 HG1 THR A 156 -1.885 -8.622 9.521 1.00 0.00 H new ATOM 0 HG21 THR A 156 -2.878 -10.372 8.230 1.00 0.00 H new ATOM 0 HG22 THR A 156 -3.397 -9.962 6.578 1.00 0.00 H new ATOM 0 HG23 THR A 156 -1.663 -10.071 6.964 1.00 0.00 H new ATOM 509 N THR A 157 -4.366 -6.468 5.649 1.00 0.00 N ATOM 510 CA THR A 157 -5.546 -6.372 4.800 1.00 0.00 C ATOM 511 C THR A 157 -5.611 -5.018 4.101 1.00 0.00 C ATOM 512 O THR A 157 -5.553 -3.972 4.746 1.00 0.00 O ATOM 513 CB THR A 157 -6.839 -6.581 5.610 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.713 -5.971 6.901 1.00 0.00 O ATOM 515 CG2 THR A 157 -7.145 -8.063 5.773 1.00 0.00 C ATOM 0 H THR A 157 -4.277 -5.717 6.333 1.00 0.00 H new ATOM 0 HA THR A 157 -5.463 -7.161 4.052 1.00 0.00 H new ATOM 0 HB THR A 157 -7.660 -6.115 5.065 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.540 -6.107 7.409 1.00 0.00 H new ATOM 0 HG21 THR A 157 -8.063 -8.184 6.349 1.00 0.00 H new ATOM 0 HG22 THR A 157 -7.270 -8.519 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 157 -6.322 -8.549 6.297 1.00 0.00 H new ATOM 523 N ALA A 158 -5.735 -5.047 2.778 1.00 0.00 N ATOM 524 CA ALA A 158 -5.810 -3.821 1.991 1.00 0.00 C ATOM 525 C ALA A 158 -6.802 -3.967 0.843 1.00 0.00 C ATOM 526 O ALA A 158 -6.700 -4.890 0.034 1.00 0.00 O ATOM 527 CB ALA A 158 -4.433 -3.452 1.460 1.00 0.00 C ATOM 0 H ALA A 158 -5.786 -5.905 2.229 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.163 -3.020 2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.503 -2.535 0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.750 -3.298 2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -4.058 -4.258 0.829 1.00 0.00 H new ATOM 533 N LEU A 159 -7.763 -3.052 0.777 1.00 0.00 N ATOM 534 CA LEU A 159 -8.775 -3.079 -0.272 1.00 0.00 C ATOM 535 C LEU A 159 -8.275 -2.374 -1.530 1.00 0.00 C ATOM 536 O LEU A 159 -8.244 -1.145 -1.595 1.00 0.00 O ATOM 537 CB LEU A 159 -10.066 -2.417 0.216 1.00 0.00 C ATOM 538 CG LEU A 159 -11.346 -2.921 -0.452 1.00 0.00 C ATOM 539 CD1 LEU A 159 -11.227 -2.839 -1.965 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.649 -4.346 -0.015 1.00 0.00 C ATOM 0 H LEU A 159 -7.862 -2.282 1.438 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.979 -4.121 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -10.151 -2.571 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -9.989 -1.342 0.053 1.00 0.00 H new ATOM 0 HG LEU A 159 -12.172 -2.283 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -12.147 -3.202 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -11.058 -1.804 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.390 -3.453 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.563 -4.689 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.822 -4.997 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.779 -4.375 1.067 1.00 0.00 H new ATOM 552 N VAL A 160 -7.885 -3.160 -2.528 1.00 0.00 N ATOM 553 CA VAL A 160 -7.388 -2.612 -3.784 1.00 0.00 C ATOM 554 C VAL A 160 -7.939 -3.384 -4.977 1.00 0.00 C ATOM 555 O VAL A 160 -7.982 -4.615 -4.967 1.00 0.00 O ATOM 556 CB VAL A 160 -5.848 -2.637 -3.840 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.343 -1.836 -5.029 1.00 0.00 C ATOM 558 CG2 VAL A 160 -5.256 -2.109 -2.541 1.00 0.00 C ATOM 0 H VAL A 160 -7.904 -4.179 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.729 -1.578 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.525 -3.671 -3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -4.254 -1.866 -5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.737 -2.265 -5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.676 -0.802 -4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -4.168 -2.135 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.587 -1.083 -2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.589 -2.731 -1.710 1.00 0.00 H new ATOM 568 N GLY A 161 -8.364 -2.654 -6.003 1.00 0.00 N ATOM 569 CA GLY A 161 -8.908 -3.289 -7.189 1.00 0.00 C ATOM 570 C GLY A 161 -10.116 -4.153 -6.883 1.00 0.00 C ATOM 571 O GLY A 161 -10.377 -5.136 -7.576 1.00 0.00 O ATOM 0 H GLY A 161 -8.341 -1.635 -6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.187 -2.522 -7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.136 -3.901 -7.656 1.00 0.00 H new ATOM 575 N GLY A 162 -10.854 -3.786 -5.841 1.00 0.00 N ATOM 576 CA GLY A 162 -12.032 -4.544 -5.461 1.00 0.00 C ATOM 577 C GLY A 162 -11.689 -5.916 -4.911 1.00 0.00 C ATOM 578 O GLY A 162 -12.523 -6.821 -4.920 1.00 0.00 O ATOM 0 H GLY A 162 -10.657 -2.977 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.593 -3.986 -4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.683 -4.656 -6.328 1.00 0.00 H new ATOM 582 N ILE A 163 -10.458 -6.070 -4.429 1.00 0.00 N ATOM 583 CA ILE A 163 -10.012 -7.341 -3.872 1.00 0.00 C ATOM 584 C ILE A 163 -8.951 -7.125 -2.797 1.00 0.00 C ATOM 585 O ILE A 163 -8.007 -6.361 -2.989 1.00 0.00 O ATOM 586 CB ILE A 163 -9.438 -8.265 -4.964 1.00 0.00 C ATOM 587 CG1 ILE A 163 -10.380 -8.319 -6.167 1.00 0.00 C ATOM 588 CG2 ILE A 163 -9.201 -9.660 -4.404 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.895 -9.228 -7.276 1.00 0.00 C ATOM 0 H ILE A 163 -9.755 -5.332 -4.414 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.887 -7.817 -3.429 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.482 -7.860 -5.296 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -11.361 -8.657 -5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.507 -7.312 -6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -8.796 -10.302 -5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -8.493 -9.605 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -10.144 -10.074 -4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -10.613 -9.217 -8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -8.927 -8.878 -7.636 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -9.795 -10.245 -6.896 1.00 0.00 H new ATOM 601 N MET A 164 -9.115 -7.805 -1.667 1.00 0.00 N ATOM 602 CA MET A 164 -8.171 -7.685 -0.562 1.00 0.00 C ATOM 603 C MET A 164 -6.806 -8.242 -0.952 1.00 0.00 C ATOM 604 O MET A 164 -6.713 -9.207 -1.711 1.00 0.00 O ATOM 605 CB MET A 164 -8.701 -8.418 0.670 1.00 0.00 C ATOM 606 CG MET A 164 -10.026 -7.874 1.179 1.00 0.00 C ATOM 607 SD MET A 164 -10.142 -7.893 2.978 1.00 0.00 S ATOM 608 CE MET A 164 -10.529 -6.177 3.310 1.00 0.00 C ATOM 0 H MET A 164 -9.891 -8.444 -1.493 1.00 0.00 H new ATOM 0 HA MET A 164 -8.058 -6.627 -0.325 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.820 -9.475 0.431 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.961 -8.353 1.467 1.00 0.00 H new ATOM 0 HG2 MET A 164 -10.156 -6.852 0.822 1.00 0.00 H new ATOM 0 HG3 MET A 164 -10.841 -8.464 0.760 1.00 0.00 H new ATOM 0 HE1 MET A 164 -10.632 -6.029 4.385 1.00 0.00 H new ATOM 0 HE2 MET A 164 -9.727 -5.543 2.932 1.00 0.00 H new ATOM 0 HE3 MET A 164 -11.464 -5.913 2.816 1.00 0.00 H new ATOM 618 N GLN A 165 -5.751 -7.627 -0.431 1.00 0.00 N ATOM 619 CA GLN A 165 -4.389 -8.061 -0.726 1.00 0.00 C ATOM 620 C GLN A 165 -3.405 -7.500 0.295 1.00 0.00 C ATOM 621 O GLN A 165 -3.789 -6.767 1.204 1.00 0.00 O ATOM 622 CB GLN A 165 -3.985 -7.622 -2.136 1.00 0.00 C ATOM 623 CG GLN A 165 -4.356 -6.185 -2.460 1.00 0.00 C ATOM 624 CD GLN A 165 -4.601 -5.966 -3.940 1.00 0.00 C ATOM 625 OE1 GLN A 165 -3.703 -5.557 -4.676 1.00 0.00 O ATOM 626 NE2 GLN A 165 -5.823 -6.237 -4.383 1.00 0.00 N ATOM 0 H GLN A 165 -5.811 -6.826 0.198 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.362 -9.149 -0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.908 -7.744 -2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.459 -8.282 -2.862 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -5.252 -5.910 -1.903 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.557 -5.523 -2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -6.537 -6.574 -3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -6.048 -6.108 -5.369 1.00 0.00 H new ATOM 635 N ARG A 166 -2.133 -7.852 0.136 1.00 0.00 N ATOM 636 CA ARG A 166 -1.092 -7.386 1.044 1.00 0.00 C ATOM 637 C ARG A 166 0.041 -6.713 0.271 1.00 0.00 C ATOM 638 O ARG A 166 0.140 -6.849 -0.948 1.00 0.00 O ATOM 639 CB ARG A 166 -0.541 -8.553 1.866 1.00 0.00 C ATOM 640 CG ARG A 166 -1.238 -8.735 3.204 1.00 0.00 C ATOM 641 CD ARG A 166 -0.570 -9.815 4.041 1.00 0.00 C ATOM 642 NE ARG A 166 0.601 -9.308 4.757 1.00 0.00 N ATOM 643 CZ ARG A 166 1.838 -9.316 4.262 1.00 0.00 C ATOM 644 NH1 ARG A 166 2.075 -9.793 3.047 1.00 0.00 N ATOM 645 NH2 ARG A 166 2.842 -8.840 4.986 1.00 0.00 N ATOM 0 H ARG A 166 -1.799 -8.458 -0.613 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.534 -6.653 1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -0.637 -9.472 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 166 0.524 -8.395 2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -1.229 -7.792 3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -2.283 -8.997 3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -1.288 -10.214 4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -0.271 -10.641 3.395 1.00 0.00 H new ATOM 0 HE ARG A 166 0.462 -8.925 5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 166 1.307 -10.158 2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 166 3.025 -9.795 2.676 1.00 0.00 H new ATOM 0 HH21 ARG A 166 2.666 -8.469 5.920 1.00 0.00 H new ATOM 0 HH22 ARG A 166 3.790 -8.845 4.609 1.00 0.00 H new ATOM 659 N PHE A 167 0.891 -5.988 0.990 1.00 0.00 N ATOM 660 CA PHE A 167 2.016 -5.294 0.374 1.00 0.00 C ATOM 661 C PHE A 167 3.340 -5.791 0.944 1.00 0.00 C ATOM 662 O PHE A 167 3.652 -5.555 2.111 1.00 0.00 O ATOM 663 CB PHE A 167 1.889 -3.784 0.588 1.00 0.00 C ATOM 664 CG PHE A 167 2.975 -2.990 -0.078 1.00 0.00 C ATOM 665 CD1 PHE A 167 2.883 -2.655 -1.420 1.00 0.00 C ATOM 666 CD2 PHE A 167 4.089 -2.577 0.636 1.00 0.00 C ATOM 667 CE1 PHE A 167 3.882 -1.925 -2.037 1.00 0.00 C ATOM 668 CE2 PHE A 167 5.089 -1.846 0.026 1.00 0.00 C ATOM 669 CZ PHE A 167 4.985 -1.519 -1.313 1.00 0.00 C ATOM 0 H PHE A 167 0.822 -5.866 2.000 1.00 0.00 H new ATOM 0 HA PHE A 167 2.000 -5.505 -0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 167 0.923 -3.452 0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 167 1.901 -3.575 1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 167 2.021 -2.968 -1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.176 -2.830 1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 167 3.800 -1.673 -3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 167 5.951 -1.530 0.594 1.00 0.00 H new ATOM 0 HZ PHE A 167 5.766 -0.947 -1.792 1.00 0.00 H new ATOM 679 N CYS A 168 4.114 -6.481 0.112 1.00 0.00 N ATOM 680 CA CYS A 168 5.406 -7.012 0.533 1.00 0.00 C ATOM 681 C CYS A 168 6.544 -6.114 0.061 1.00 0.00 C ATOM 682 O CYS A 168 6.622 -5.763 -1.117 1.00 0.00 O ATOM 683 CB CYS A 168 5.599 -8.429 -0.008 1.00 0.00 C ATOM 684 SG CYS A 168 6.910 -9.362 0.817 1.00 0.00 S ATOM 0 H CYS A 168 3.869 -6.685 -0.857 1.00 0.00 H new ATOM 0 HA CYS A 168 5.421 -7.042 1.622 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.661 -8.975 0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 168 5.823 -8.372 -1.073 1.00 0.00 H new ATOM 0 HG CYS A 168 6.953 -10.569 0.335 1.00 0.00 H new ATOM 690 N GLN A 169 7.424 -5.747 0.985 1.00 0.00 N ATOM 691 CA GLN A 169 8.559 -4.890 0.661 1.00 0.00 C ATOM 692 C GLN A 169 9.494 -5.578 -0.329 1.00 0.00 C ATOM 693 O GLN A 169 10.110 -4.927 -1.173 1.00 0.00 O ATOM 694 CB GLN A 169 9.325 -4.519 1.934 1.00 0.00 C ATOM 695 CG GLN A 169 8.934 -3.166 2.503 1.00 0.00 C ATOM 696 CD GLN A 169 8.873 -3.168 4.019 1.00 0.00 C ATOM 697 OE1 GLN A 169 7.795 -3.086 4.608 1.00 0.00 O ATOM 698 NE2 GLN A 169 10.034 -3.263 4.657 1.00 0.00 N ATOM 0 H GLN A 169 7.374 -6.029 1.964 1.00 0.00 H new ATOM 0 HA GLN A 169 8.176 -3.980 0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.152 -5.286 2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.394 -4.519 1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 169 9.652 -2.415 2.173 1.00 0.00 H new ATOM 0 HG3 GLN A 169 7.962 -2.875 2.104 1.00 0.00 H new ATOM 0 HE21 GLN A 169 10.903 -3.329 4.127 1.00 0.00 H new ATOM 0 HE22 GLN A 169 10.056 -3.270 5.677 1.00 0.00 H new ATOM 707 N GLN A 170 9.596 -6.899 -0.218 1.00 0.00 N ATOM 708 CA GLN A 170 10.457 -7.675 -1.102 1.00 0.00 C ATOM 709 C GLN A 170 9.859 -7.764 -2.504 1.00 0.00 C ATOM 710 O GLN A 170 10.567 -7.620 -3.501 1.00 0.00 O ATOM 711 CB GLN A 170 10.667 -9.081 -0.537 1.00 0.00 C ATOM 712 CG GLN A 170 11.158 -9.091 0.902 1.00 0.00 C ATOM 713 CD GLN A 170 12.376 -9.973 1.098 1.00 0.00 C ATOM 714 OE1 GLN A 170 12.570 -10.953 0.379 1.00 0.00 O ATOM 715 NE2 GLN A 170 13.204 -9.628 2.078 1.00 0.00 N ATOM 0 H GLN A 170 9.093 -7.453 0.475 1.00 0.00 H new ATOM 0 HA GLN A 170 11.420 -7.168 -1.168 1.00 0.00 H new ATOM 0 HB2 GLN A 170 9.728 -9.631 -0.596 1.00 0.00 H new ATOM 0 HB3 GLN A 170 11.386 -9.611 -1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 170 11.399 -8.073 1.207 1.00 0.00 H new ATOM 0 HG3 GLN A 170 10.355 -9.437 1.553 1.00 0.00 H new ATOM 0 HE21 GLN A 170 13.004 -8.807 2.650 1.00 0.00 H new ATOM 0 HE22 GLN A 170 14.040 -10.184 2.259 1.00 0.00 H new ATOM 724 N CYS A 171 8.553 -8.001 -2.572 1.00 0.00 N ATOM 725 CA CYS A 171 7.862 -8.108 -3.850 1.00 0.00 C ATOM 726 C CYS A 171 7.810 -6.758 -4.558 1.00 0.00 C ATOM 727 O CYS A 171 7.792 -6.689 -5.787 1.00 0.00 O ATOM 728 CB CYS A 171 6.444 -8.645 -3.644 1.00 0.00 C ATOM 729 SG CYS A 171 6.379 -10.278 -2.869 1.00 0.00 S ATOM 0 H CYS A 171 7.953 -8.122 -1.756 1.00 0.00 H new ATOM 0 HA CYS A 171 8.419 -8.804 -4.477 1.00 0.00 H new ATOM 0 HB2 CYS A 171 5.886 -7.940 -3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.941 -8.693 -4.610 1.00 0.00 H new ATOM 0 HG CYS A 171 6.734 -10.181 -1.622 1.00 0.00 H new ATOM 735 N SER A 172 7.786 -5.685 -3.772 1.00 0.00 N ATOM 736 CA SER A 172 7.735 -4.336 -4.323 1.00 0.00 C ATOM 737 C SER A 172 6.463 -4.127 -5.139 1.00 0.00 C ATOM 738 O SER A 172 6.470 -3.417 -6.146 1.00 0.00 O ATOM 739 CB SER A 172 8.964 -4.073 -5.197 1.00 0.00 C ATOM 740 OG SER A 172 9.420 -2.738 -5.049 1.00 0.00 O ATOM 0 H SER A 172 7.801 -5.724 -2.753 1.00 0.00 H new ATOM 0 HA SER A 172 7.730 -3.632 -3.491 1.00 0.00 H new ATOM 0 HB2 SER A 172 9.761 -4.765 -4.926 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.718 -4.263 -6.242 1.00 0.00 H new ATOM 0 HG SER A 172 10.206 -2.596 -5.616 1.00 0.00 H new ATOM 746 N ARG A 173 5.376 -4.749 -4.699 1.00 0.00 N ATOM 747 CA ARG A 173 4.096 -4.632 -5.386 1.00 0.00 C ATOM 748 C ARG A 173 2.987 -5.314 -4.592 1.00 0.00 C ATOM 749 O ARG A 173 3.249 -6.182 -3.761 1.00 0.00 O ATOM 750 CB ARG A 173 4.188 -5.245 -6.786 1.00 0.00 C ATOM 751 CG ARG A 173 4.491 -6.735 -6.779 1.00 0.00 C ATOM 752 CD ARG A 173 5.550 -7.099 -7.809 1.00 0.00 C ATOM 753 NE ARG A 173 4.977 -7.783 -8.965 1.00 0.00 N ATOM 754 CZ ARG A 173 4.389 -7.156 -9.983 1.00 0.00 C ATOM 755 NH1 ARG A 173 4.291 -5.833 -9.991 1.00 0.00 N ATOM 756 NH2 ARG A 173 3.896 -7.856 -10.997 1.00 0.00 N ATOM 0 H ARG A 173 5.356 -5.340 -3.868 1.00 0.00 H new ATOM 0 HA ARG A 173 3.855 -3.573 -5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 173 3.247 -5.076 -7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 173 4.964 -4.727 -7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 173 4.831 -7.033 -5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 173 3.577 -7.293 -6.984 1.00 0.00 H new ATOM 0 HD2 ARG A 173 6.060 -6.194 -8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 173 6.302 -7.738 -7.346 1.00 0.00 H new ATOM 0 HE ARG A 173 5.030 -8.801 -8.995 1.00 0.00 H new ATOM 0 HH11 ARG A 173 4.667 -5.289 -9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 173 3.840 -5.360 -10.774 1.00 0.00 H new ATOM 0 HH21 ARG A 173 3.967 -8.874 -10.997 1.00 0.00 H new ATOM 0 HH22 ARG A 173 3.446 -7.376 -11.777 1.00 0.00 H new ATOM 770 N PHE A 174 1.748 -4.912 -4.854 1.00 0.00 N ATOM 771 CA PHE A 174 0.597 -5.484 -4.162 1.00 0.00 C ATOM 772 C PHE A 174 0.285 -6.880 -4.688 1.00 0.00 C ATOM 773 O PHE A 174 0.261 -7.108 -5.897 1.00 0.00 O ATOM 774 CB PHE A 174 -0.626 -4.577 -4.328 1.00 0.00 C ATOM 775 CG PHE A 174 -0.872 -3.681 -3.148 1.00 0.00 C ATOM 776 CD1 PHE A 174 -1.175 -4.216 -1.907 1.00 0.00 C ATOM 777 CD2 PHE A 174 -0.803 -2.303 -3.279 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.403 -3.394 -0.818 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.029 -1.475 -2.197 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.330 -2.023 -0.964 1.00 0.00 C ATOM 0 H PHE A 174 1.514 -4.193 -5.539 1.00 0.00 H new ATOM 0 HA PHE A 174 0.842 -5.562 -3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.495 -3.963 -5.219 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.508 -5.196 -4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -1.234 -5.288 -1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.569 -1.871 -4.241 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.638 -3.824 0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -0.971 -0.403 -2.314 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.508 -1.379 -0.115 1.00 0.00 H new ATOM 790 N HIS A 175 0.046 -7.813 -3.772 1.00 0.00 N ATOM 791 CA HIS A 175 -0.265 -9.188 -4.142 1.00 0.00 C ATOM 792 C HIS A 175 -1.441 -9.717 -3.325 1.00 0.00 C ATOM 793 O HIS A 175 -1.546 -9.453 -2.129 1.00 0.00 O ATOM 794 CB HIS A 175 0.956 -10.084 -3.937 1.00 0.00 C ATOM 795 CG HIS A 175 1.792 -10.246 -5.169 1.00 0.00 C ATOM 796 ND1 HIS A 175 1.680 -9.422 -6.270 1.00 0.00 N ATOM 797 CD2 HIS A 175 2.759 -11.146 -5.474 1.00 0.00 C ATOM 798 CE1 HIS A 175 2.541 -9.805 -7.196 1.00 0.00 C ATOM 799 NE2 HIS A 175 3.207 -10.850 -6.737 1.00 0.00 N ATOM 0 H HIS A 175 0.062 -7.641 -2.767 1.00 0.00 H new ATOM 0 HA HIS A 175 -0.541 -9.200 -5.196 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.573 -9.667 -3.141 1.00 0.00 H new ATOM 0 HB3 HIS A 175 0.624 -11.066 -3.601 1.00 0.00 H new ATOM 0 HD1 HIS A 175 1.033 -8.638 -6.356 1.00 0.00 H new ATOM 0 HD2 HIS A 175 3.111 -11.947 -4.841 1.00 0.00 H new ATOM 0 HE1 HIS A 175 2.677 -9.343 -8.163 1.00 0.00 H new ATOM 807 N VAL A 176 -2.324 -10.465 -3.983 1.00 0.00 N ATOM 808 CA VAL A 176 -3.496 -11.032 -3.321 1.00 0.00 C ATOM 809 C VAL A 176 -3.112 -11.772 -2.045 1.00 0.00 C ATOM 810 O VAL A 176 -1.934 -11.867 -1.698 1.00 0.00 O ATOM 811 CB VAL A 176 -4.251 -11.998 -4.251 1.00 0.00 C ATOM 812 CG1 VAL A 176 -5.029 -11.229 -5.307 1.00 0.00 C ATOM 813 CG2 VAL A 176 -3.286 -12.980 -4.900 1.00 0.00 C ATOM 0 H VAL A 176 -2.250 -10.692 -4.975 1.00 0.00 H new ATOM 0 HA VAL A 176 -4.147 -10.195 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 176 -4.963 -12.565 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -5.555 -11.931 -5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -5.750 -10.572 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -4.340 -10.632 -5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -3.839 -13.655 -5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -2.548 -12.432 -5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.780 -13.558 -4.127 1.00 0.00 H new ATOM 823 N LEU A 177 -4.115 -12.298 -1.348 1.00 0.00 N ATOM 824 CA LEU A 177 -3.885 -13.031 -0.109 1.00 0.00 C ATOM 825 C LEU A 177 -3.766 -14.529 -0.375 1.00 0.00 C ATOM 826 O LEU A 177 -4.338 -15.346 0.347 1.00 0.00 O ATOM 827 CB LEU A 177 -5.018 -12.765 0.884 1.00 0.00 C ATOM 828 CG LEU A 177 -5.338 -11.287 1.121 1.00 0.00 C ATOM 829 CD1 LEU A 177 -6.779 -11.120 1.576 1.00 0.00 C ATOM 830 CD2 LEU A 177 -4.381 -10.695 2.146 1.00 0.00 C ATOM 0 H LEU A 177 -5.095 -12.230 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 177 -2.946 -12.682 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.919 -13.263 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -4.759 -13.223 1.839 1.00 0.00 H new ATOM 0 HG LEU A 177 -5.211 -10.750 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -6.989 -10.063 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -7.450 -11.509 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.933 -11.669 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -4.621 -9.644 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -4.478 -11.235 3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -3.358 -10.782 1.781 1.00 0.00 H new ATOM 842 N GLU A 178 -3.018 -14.882 -1.415 1.00 0.00 N ATOM 843 CA GLU A 178 -2.823 -16.281 -1.776 1.00 0.00 C ATOM 844 C GLU A 178 -1.397 -16.726 -1.468 1.00 0.00 C ATOM 845 O GLU A 178 -1.151 -17.892 -1.155 1.00 0.00 O ATOM 846 CB GLU A 178 -3.128 -16.496 -3.259 1.00 0.00 C ATOM 847 CG GLU A 178 -4.531 -16.068 -3.660 1.00 0.00 C ATOM 848 CD GLU A 178 -5.418 -17.244 -4.020 1.00 0.00 C ATOM 849 OE1 GLU A 178 -4.927 -18.177 -4.690 1.00 0.00 O ATOM 850 OE2 GLU A 178 -6.606 -17.233 -3.629 1.00 0.00 O ATOM 0 H GLU A 178 -2.537 -14.219 -2.022 1.00 0.00 H new ATOM 0 HA GLU A 178 -3.510 -16.883 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 178 -2.404 -15.941 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -2.996 -17.551 -3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -4.986 -15.512 -2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -4.471 -15.389 -4.511 1.00 0.00 H new ATOM 857 N GLU A 179 -0.458 -15.788 -1.557 1.00 0.00 N ATOM 858 CA GLU A 179 0.944 -16.081 -1.287 1.00 0.00 C ATOM 859 C GLU A 179 1.375 -15.495 0.053 1.00 0.00 C ATOM 860 O GLU A 179 2.543 -15.158 0.249 1.00 0.00 O ATOM 861 CB GLU A 179 1.828 -15.527 -2.406 1.00 0.00 C ATOM 862 CG GLU A 179 1.284 -15.793 -3.800 1.00 0.00 C ATOM 863 CD GLU A 179 1.498 -17.226 -4.244 1.00 0.00 C ATOM 864 OE1 GLU A 179 1.190 -18.144 -3.455 1.00 0.00 O ATOM 865 OE2 GLU A 179 1.973 -17.431 -5.380 1.00 0.00 O ATOM 0 H GLU A 179 -0.644 -14.819 -1.814 1.00 0.00 H new ATOM 0 HA GLU A 179 1.060 -17.164 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 179 1.942 -14.452 -2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 179 2.822 -15.966 -2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 179 0.218 -15.565 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 179 1.767 -15.121 -4.509 1.00 0.00 H new ATOM 872 N PHE A 180 0.424 -15.376 0.975 1.00 0.00 N ATOM 873 CA PHE A 180 0.708 -14.831 2.298 1.00 0.00 C ATOM 874 C PHE A 180 -0.093 -15.559 3.371 1.00 0.00 C ATOM 875 O PHE A 180 -1.290 -15.802 3.209 1.00 0.00 O ATOM 876 CB PHE A 180 0.386 -13.335 2.333 1.00 0.00 C ATOM 877 CG PHE A 180 1.169 -12.529 1.336 1.00 0.00 C ATOM 878 CD1 PHE A 180 2.524 -12.302 1.518 1.00 0.00 C ATOM 879 CD2 PHE A 180 0.549 -11.997 0.217 1.00 0.00 C ATOM 880 CE1 PHE A 180 3.246 -11.562 0.602 1.00 0.00 C ATOM 881 CE2 PHE A 180 1.266 -11.253 -0.702 1.00 0.00 C ATOM 882 CZ PHE A 180 2.616 -11.036 -0.509 1.00 0.00 C ATOM 0 H PHE A 180 -0.548 -15.649 0.830 1.00 0.00 H new ATOM 0 HA PHE A 180 1.769 -14.975 2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -0.679 -13.196 2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 180 0.585 -12.952 3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 180 3.021 -12.708 2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -0.506 -12.165 0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 180 4.302 -11.395 0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 180 0.771 -10.842 -1.569 1.00 0.00 H new ATOM 0 HZ PHE A 180 3.178 -10.456 -1.226 1.00 0.00 H new ATOM 892 N ASP A 181 0.573 -15.907 4.466 1.00 0.00 N ATOM 893 CA ASP A 181 -0.076 -16.608 5.567 1.00 0.00 C ATOM 894 C ASP A 181 -0.851 -15.636 6.450 1.00 0.00 C ATOM 895 O ASP A 181 -0.204 -14.826 7.146 1.00 0.00 O ATOM 896 CB ASP A 181 0.961 -17.360 6.403 1.00 0.00 C ATOM 897 CG ASP A 181 1.167 -18.786 5.927 1.00 0.00 C ATOM 898 OD1 ASP A 181 0.329 -19.649 6.259 1.00 0.00 O ATOM 899 OD2 ASP A 181 2.166 -19.036 5.221 1.00 0.00 O ATOM 900 OXT ASP A 181 -2.098 -15.693 6.438 1.00 0.00 O ATOM 0 H ASP A 181 1.564 -15.715 4.615 1.00 0.00 H new ATOM 0 HA ASP A 181 -0.779 -17.325 5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 181 1.911 -16.826 6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 181 0.644 -17.371 7.446 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.409 3.566 2.433 1.00 0.00 ZN