USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 489 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 24 MET CE :methyl -110:sc= -3.4 (180deg=-8.15!) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.92 K(o=-1.9,f=-4.7!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.34 K(o=-1.3,f=-3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.477 USER MOD Single : A 31 THR OG1 : rot -2:sc= 0.876 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.0467 K(o=0.047,f=-2.7!) USER MOD Single : A 46 SER OG : rot -17:sc= 0.642 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.144 F(o=-1.6,f=-0.14) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 60 ASN : amide:sc= -6.97! C(o=-7!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 7.558 11.941 -1.224 1.00 0.00 N ATOM 2 CA LEU A 1 6.646 10.912 -0.757 1.00 0.00 C ATOM 3 C LEU A 1 7.130 9.546 -1.249 1.00 0.00 C ATOM 4 O LEU A 1 6.648 9.042 -2.262 1.00 0.00 O ATOM 5 CB LEU A 1 5.210 11.240 -1.168 1.00 0.00 C ATOM 6 CG LEU A 1 4.149 11.103 -0.073 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.153 9.693 0.518 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.329 12.177 1.002 1.00 0.00 C ATOM 0 H1 LEU A 1 7.232 12.871 -0.891 1.00 0.00 H new ATOM 0 H2 LEU A 1 8.511 11.755 -0.852 1.00 0.00 H new ATOM 0 H3 LEU A 1 7.585 11.935 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 1 6.640 10.875 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.186 12.263 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.933 10.589 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 1 3.169 11.261 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.391 9.621 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.940 8.968 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.131 9.482 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.563 12.057 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.315 12.076 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.238 13.164 0.549 1.00 0.00 H new ATOM 20 N LYS A 2 8.075 8.986 -0.509 1.00 0.00 N ATOM 21 CA LYS A 2 8.629 7.689 -0.858 1.00 0.00 C ATOM 22 C LYS A 2 8.155 6.647 0.158 1.00 0.00 C ATOM 23 O LYS A 2 8.023 6.947 1.344 1.00 0.00 O ATOM 24 CB LYS A 2 10.151 7.773 -0.987 1.00 0.00 C ATOM 25 CG LYS A 2 10.566 9.025 -1.764 1.00 0.00 C ATOM 26 CD LYS A 2 11.193 10.065 -0.834 1.00 0.00 C ATOM 27 CE LYS A 2 12.720 10.038 -0.931 1.00 0.00 C ATOM 28 NZ LYS A 2 13.298 11.271 -0.349 1.00 0.00 N ATOM 0 H LYS A 2 8.471 9.407 0.331 1.00 0.00 H new ATOM 0 HA LYS A 2 8.267 7.371 -1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.603 7.789 0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.526 6.884 -1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.277 8.754 -2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.696 9.454 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.826 11.058 -1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.887 9.870 0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.108 9.165 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.023 9.945 -1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.335 11.237 -0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.941 12.100 -0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.024 11.344 0.652 1.00 0.00 H new ATOM 42 N CYS A 3 7.912 5.445 -0.344 1.00 0.00 N ATOM 43 CA CYS A 3 7.456 4.358 0.505 1.00 0.00 C ATOM 44 C CYS A 3 8.238 3.097 0.133 1.00 0.00 C ATOM 45 O CYS A 3 8.910 3.061 -0.898 1.00 0.00 O ATOM 46 CB CYS A 3 5.945 4.147 0.391 1.00 0.00 C ATOM 47 SG CYS A 3 4.936 5.209 1.487 1.00 0.00 S ATOM 0 H CYS A 3 8.022 5.200 -1.328 1.00 0.00 H new ATOM 0 HA CYS A 3 7.644 4.606 1.550 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.644 4.326 -0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.720 3.104 0.612 1.00 0.00 H new ATOM 52 N ASN A 4 8.125 2.094 0.990 1.00 0.00 N ATOM 53 CA ASN A 4 8.814 0.835 0.764 1.00 0.00 C ATOM 54 C ASN A 4 8.046 0.019 -0.278 1.00 0.00 C ATOM 55 O ASN A 4 6.904 0.340 -0.605 1.00 0.00 O ATOM 56 CB ASN A 4 8.888 0.009 2.050 1.00 0.00 C ATOM 57 CG ASN A 4 9.045 0.913 3.274 1.00 0.00 C ATOM 58 OD1 ASN A 4 9.863 1.817 3.309 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.218 0.620 4.273 1.00 0.00 N ATOM 0 H ASN A 4 7.566 2.127 1.843 1.00 0.00 H new ATOM 0 HA ASN A 4 9.824 1.060 0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.985 -0.594 2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.728 -0.683 1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.245 1.166 5.134 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.557 -0.151 4.178 1.00 0.00 H new ATOM 66 N LYS A 5 8.703 -1.020 -0.771 1.00 0.00 N ATOM 67 CA LYS A 5 8.097 -1.884 -1.769 1.00 0.00 C ATOM 68 C LYS A 5 7.469 -3.096 -1.076 1.00 0.00 C ATOM 69 O LYS A 5 7.201 -3.057 0.124 1.00 0.00 O ATOM 70 CB LYS A 5 9.116 -2.254 -2.848 1.00 0.00 C ATOM 71 CG LYS A 5 9.622 -1.007 -3.576 1.00 0.00 C ATOM 72 CD LYS A 5 8.524 -0.397 -4.449 1.00 0.00 C ATOM 73 CE LYS A 5 7.927 -1.446 -5.391 1.00 0.00 C ATOM 74 NZ LYS A 5 7.725 -0.874 -6.741 1.00 0.00 N ATOM 0 H LYS A 5 9.650 -1.283 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 5 7.294 -1.360 -2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.956 -2.781 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.660 -2.938 -3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.964 -0.271 -2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.481 -1.266 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.739 0.017 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.934 0.429 -5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.590 -2.309 -5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.976 -1.801 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.320 -1.598 -7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.075 -0.064 -6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.638 -0.557 -7.124 1.00 0.00 H new ATOM 88 N LEU A 6 7.252 -4.140 -1.861 1.00 0.00 N ATOM 89 CA LEU A 6 6.660 -5.360 -1.338 1.00 0.00 C ATOM 90 C LEU A 6 7.288 -5.684 0.019 1.00 0.00 C ATOM 91 O LEU A 6 6.605 -6.164 0.923 1.00 0.00 O ATOM 92 CB LEU A 6 6.781 -6.494 -2.357 1.00 0.00 C ATOM 93 CG LEU A 6 5.601 -7.466 -2.421 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.337 -6.764 -2.922 1.00 0.00 C ATOM 95 CD2 LEU A 6 5.947 -8.694 -3.266 1.00 0.00 C ATOM 0 H LEU A 6 7.475 -4.167 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 6 5.591 -5.224 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.919 -6.055 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.683 -7.063 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 6 5.394 -7.818 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.514 -7.478 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.081 -5.949 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.514 -6.364 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.091 -9.369 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.196 -8.380 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.801 -9.210 -2.826 1.00 0.00 H new ATOM 107 N VAL A 7 8.579 -5.408 0.119 1.00 0.00 N ATOM 108 CA VAL A 7 9.306 -5.664 1.352 1.00 0.00 C ATOM 109 C VAL A 7 10.181 -4.453 1.684 1.00 0.00 C ATOM 110 O VAL A 7 10.692 -3.787 0.786 1.00 0.00 O ATOM 111 CB VAL A 7 10.106 -6.962 1.226 1.00 0.00 C ATOM 112 CG1 VAL A 7 10.381 -7.571 2.603 1.00 0.00 C ATOM 113 CG2 VAL A 7 9.389 -7.963 0.318 1.00 0.00 C ATOM 0 H VAL A 7 9.141 -5.010 -0.633 1.00 0.00 H new ATOM 0 HA VAL A 7 8.614 -5.802 2.182 1.00 0.00 H new ATOM 0 HB VAL A 7 11.065 -6.721 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.951 -8.493 2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.952 -6.865 3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.436 -7.790 3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.979 -8.876 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.409 -8.196 0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.267 -7.531 -0.675 1.00 0.00 H new ATOM 123 N PRO A 8 10.325 -4.205 2.977 1.00 0.00 N ATOM 124 CA PRO A 8 11.153 -3.052 3.455 1.00 0.00 C ATOM 125 C PRO A 8 12.682 -2.990 3.119 1.00 0.00 C ATOM 126 O PRO A 8 13.405 -2.150 3.652 1.00 0.00 O ATOM 127 CB PRO A 8 10.878 -3.055 4.976 1.00 0.00 C ATOM 128 CG PRO A 8 9.634 -3.922 5.175 1.00 0.00 C ATOM 129 CD PRO A 8 9.740 -4.991 4.088 1.00 0.00 C ATOM 0 HA PRO A 8 10.854 -2.159 2.906 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.728 -3.459 5.526 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.712 -2.043 5.345 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.614 -4.367 6.170 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.720 -3.337 5.070 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.379 -5.822 4.387 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.769 -5.413 3.828 1.00 0.00 H new ATOM 137 N ILE A 9 13.101 -3.892 2.243 1.00 0.00 N ATOM 138 CA ILE A 9 14.495 -3.952 1.839 1.00 0.00 C ATOM 139 C ILE A 9 14.684 -3.139 0.556 1.00 0.00 C ATOM 140 O ILE A 9 15.807 -2.971 0.084 1.00 0.00 O ATOM 141 CB ILE A 9 14.956 -5.406 1.719 1.00 0.00 C ATOM 142 CG1 ILE A 9 16.387 -5.485 1.182 1.00 0.00 C ATOM 143 CG2 ILE A 9 13.980 -6.222 0.871 1.00 0.00 C ATOM 144 CD1 ILE A 9 17.194 -6.548 1.929 1.00 0.00 C ATOM 0 H ILE A 9 12.499 -4.587 1.802 1.00 0.00 H new ATOM 0 HA ILE A 9 15.132 -3.502 2.600 1.00 0.00 H new ATOM 0 HB ILE A 9 14.962 -5.846 2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.368 -5.719 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.873 -4.515 1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.331 -7.252 0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.994 -6.205 1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.919 -5.792 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 9 18.207 -6.584 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 9 17.232 -6.298 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.719 -7.521 1.803 1.00 0.00 H new ATOM 156 N ALA A 10 13.569 -2.657 0.028 1.00 0.00 N ATOM 157 CA ALA A 10 13.598 -1.866 -1.189 1.00 0.00 C ATOM 158 C ALA A 10 12.391 -0.926 -1.212 1.00 0.00 C ATOM 159 O ALA A 10 11.248 -1.376 -1.140 1.00 0.00 O ATOM 160 CB ALA A 10 13.633 -2.798 -2.403 1.00 0.00 C ATOM 0 H ALA A 10 12.639 -2.799 0.422 1.00 0.00 H new ATOM 0 HA ALA A 10 14.496 -1.250 -1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.655 -2.204 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.524 -3.424 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.745 -3.430 -2.402 1.00 0.00 H new ATOM 166 N TYR A 11 12.686 0.361 -1.312 1.00 0.00 N ATOM 167 CA TYR A 11 11.639 1.369 -1.345 1.00 0.00 C ATOM 168 C TYR A 11 11.767 2.253 -2.586 1.00 0.00 C ATOM 169 O TYR A 11 12.869 2.466 -3.090 1.00 0.00 O ATOM 170 CB TYR A 11 11.842 2.229 -0.096 1.00 0.00 C ATOM 171 CG TYR A 11 13.163 3.002 -0.081 1.00 0.00 C ATOM 172 CD1 TYR A 11 14.298 2.418 0.445 1.00 0.00 C ATOM 173 CD2 TYR A 11 13.220 4.282 -0.593 1.00 0.00 C ATOM 174 CE1 TYR A 11 15.540 3.145 0.458 1.00 0.00 C ATOM 175 CE2 TYR A 11 14.462 5.009 -0.580 1.00 0.00 C ATOM 176 CZ TYR A 11 15.562 4.404 -0.055 1.00 0.00 C ATOM 177 OH TYR A 11 16.736 5.091 -0.042 1.00 0.00 O ATOM 0 H TYR A 11 13.635 0.730 -1.371 1.00 0.00 H new ATOM 0 HA TYR A 11 10.656 0.900 -1.374 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.017 2.937 -0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.797 1.589 0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 11 14.254 1.416 0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.332 4.739 -1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 11 16.435 2.700 0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 11 14.520 6.011 -0.978 1.00 0.00 H new ATOM 0 HH TYR A 11 16.602 5.976 -0.441 1.00 0.00 H new ATOM 187 N LYS A 12 10.626 2.747 -3.043 1.00 0.00 N ATOM 188 CA LYS A 12 10.597 3.603 -4.216 1.00 0.00 C ATOM 189 C LYS A 12 9.658 4.783 -3.956 1.00 0.00 C ATOM 190 O LYS A 12 9.105 4.913 -2.866 1.00 0.00 O ATOM 191 CB LYS A 12 10.237 2.793 -5.463 1.00 0.00 C ATOM 192 CG LYS A 12 11.249 1.670 -5.699 1.00 0.00 C ATOM 193 CD LYS A 12 11.272 1.253 -7.171 1.00 0.00 C ATOM 194 CE LYS A 12 12.330 2.040 -7.946 1.00 0.00 C ATOM 195 NZ LYS A 12 13.584 1.259 -8.050 1.00 0.00 N ATOM 0 H LYS A 12 9.714 2.570 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 12 11.586 4.018 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.239 2.370 -5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.209 3.450 -6.332 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.242 2.001 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.996 0.811 -5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.479 0.186 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.291 1.420 -7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.958 2.277 -8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.526 2.988 -7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.292 1.808 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.946 1.055 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.396 0.365 -8.548 1.00 0.00 H new ATOM 209 N THR A 13 9.507 5.614 -4.978 1.00 0.00 N ATOM 210 CA THR A 13 8.645 6.778 -4.874 1.00 0.00 C ATOM 211 C THR A 13 7.240 6.450 -5.385 1.00 0.00 C ATOM 212 O THR A 13 7.083 5.650 -6.306 1.00 0.00 O ATOM 213 CB THR A 13 9.312 7.930 -5.631 1.00 0.00 C ATOM 214 OG1 THR A 13 9.836 8.765 -4.602 1.00 0.00 O ATOM 215 CG2 THR A 13 8.299 8.820 -6.354 1.00 0.00 C ATOM 0 H THR A 13 9.967 5.503 -5.881 1.00 0.00 H new ATOM 0 HA THR A 13 8.517 7.082 -3.835 1.00 0.00 H new ATOM 0 HB THR A 13 10.021 7.526 -6.354 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.287 9.536 -5.005 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.824 9.621 -6.875 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.740 8.224 -7.075 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.610 9.251 -5.628 1.00 0.00 H new ATOM 223 N CYS A 14 6.257 7.083 -4.763 1.00 0.00 N ATOM 224 CA CYS A 14 4.871 6.868 -5.143 1.00 0.00 C ATOM 225 C CYS A 14 4.627 7.558 -6.487 1.00 0.00 C ATOM 226 O CYS A 14 4.597 8.785 -6.562 1.00 0.00 O ATOM 227 CB CYS A 14 3.905 7.364 -4.064 1.00 0.00 C ATOM 228 SG CYS A 14 3.985 6.447 -2.483 1.00 0.00 S ATOM 0 H CYS A 14 6.392 7.745 -3.999 1.00 0.00 H new ATOM 0 HA CYS A 14 4.682 5.799 -5.245 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.110 8.416 -3.868 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.888 7.304 -4.451 1.00 0.00 H new ATOM 233 N PRO A 15 4.461 6.738 -7.515 1.00 0.00 N ATOM 234 CA PRO A 15 4.215 7.271 -8.893 1.00 0.00 C ATOM 235 C PRO A 15 3.136 8.384 -9.126 1.00 0.00 C ATOM 236 O PRO A 15 2.302 8.636 -8.257 1.00 0.00 O ATOM 237 CB PRO A 15 3.920 5.983 -9.696 1.00 0.00 C ATOM 238 CG PRO A 15 3.588 4.910 -8.659 1.00 0.00 C ATOM 239 CD PRO A 15 4.473 5.254 -7.462 1.00 0.00 C ATOM 0 HA PRO A 15 5.084 7.853 -9.199 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.087 6.133 -10.383 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.781 5.692 -10.298 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.532 4.929 -8.391 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.803 3.911 -9.038 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.066 4.872 -6.526 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.479 4.846 -7.563 1.00 0.00 H new ATOM 247 N GLU A 16 3.210 8.999 -10.297 1.00 0.00 N ATOM 248 CA GLU A 16 2.273 10.053 -10.649 1.00 0.00 C ATOM 249 C GLU A 16 0.848 9.499 -10.710 1.00 0.00 C ATOM 250 O GLU A 16 0.575 8.560 -11.457 1.00 0.00 O ATOM 251 CB GLU A 16 2.663 10.712 -11.974 1.00 0.00 C ATOM 252 CG GLU A 16 4.118 11.183 -11.945 1.00 0.00 C ATOM 253 CD GLU A 16 4.227 12.592 -11.357 1.00 0.00 C ATOM 254 OE1 GLU A 16 4.376 12.681 -10.120 1.00 0.00 O ATOM 255 OE2 GLU A 16 4.158 13.548 -12.160 1.00 0.00 O ATOM 0 H GLU A 16 3.904 8.788 -11.014 1.00 0.00 H new ATOM 0 HA GLU A 16 2.310 10.819 -9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.522 10.005 -12.791 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.006 11.560 -12.170 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.716 10.491 -11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.527 11.174 -12.955 1.00 0.00 H new ATOM 262 N GLY A 17 -0.022 10.102 -9.914 1.00 0.00 N ATOM 263 CA GLY A 17 -1.412 9.680 -9.868 1.00 0.00 C ATOM 264 C GLY A 17 -1.800 9.227 -8.460 1.00 0.00 C ATOM 265 O GLY A 17 -2.985 9.099 -8.150 1.00 0.00 O ATOM 0 H GLY A 17 0.208 10.880 -9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.056 10.502 -10.180 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.572 8.865 -10.573 1.00 0.00 H new ATOM 269 N LYS A 18 -0.783 8.998 -7.644 1.00 0.00 N ATOM 270 CA LYS A 18 -1.004 8.561 -6.276 1.00 0.00 C ATOM 271 C LYS A 18 -0.011 9.269 -5.353 1.00 0.00 C ATOM 272 O LYS A 18 1.195 9.246 -5.596 1.00 0.00 O ATOM 273 CB LYS A 18 -0.947 7.035 -6.184 1.00 0.00 C ATOM 274 CG LYS A 18 0.278 6.487 -6.922 1.00 0.00 C ATOM 275 CD LYS A 18 -0.004 5.096 -7.492 1.00 0.00 C ATOM 276 CE LYS A 18 -0.342 5.172 -8.983 1.00 0.00 C ATOM 277 NZ LYS A 18 -1.077 3.961 -9.410 1.00 0.00 N ATOM 0 H LYS A 18 0.197 9.107 -7.904 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.004 8.840 -5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.912 6.731 -5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.854 6.607 -6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.555 7.166 -7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.127 6.439 -6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.866 4.456 -7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.832 4.638 -6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.944 6.059 -9.181 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.574 5.273 -9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.298 4.029 -10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.489 3.120 -9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.961 3.882 -8.867 1.00 0.00 H new ATOM 291 N ASN A 19 -0.555 9.884 -4.312 1.00 0.00 N ATOM 292 CA ASN A 19 0.268 10.598 -3.351 1.00 0.00 C ATOM 293 C ASN A 19 0.218 9.873 -2.005 1.00 0.00 C ATOM 294 O ASN A 19 1.040 10.130 -1.126 1.00 0.00 O ATOM 295 CB ASN A 19 -0.245 12.024 -3.139 1.00 0.00 C ATOM 296 CG ASN A 19 0.446 12.683 -1.944 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.634 12.523 -1.714 1.00 0.00 O ATOM 298 ND2 ASN A 19 -0.361 13.432 -1.197 1.00 0.00 N ATOM 0 H ASN A 19 -1.555 9.902 -4.114 1.00 0.00 H new ATOM 0 HA ASN A 19 1.286 10.635 -3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.068 12.615 -4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.323 12.006 -2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.005 13.914 -0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.346 13.524 -1.445 1.00 0.00 H new ATOM 305 N LEU A 20 -0.754 8.981 -1.885 1.00 0.00 N ATOM 306 CA LEU A 20 -0.922 8.216 -0.661 1.00 0.00 C ATOM 307 C LEU A 20 -0.333 6.818 -0.853 1.00 0.00 C ATOM 308 O LEU A 20 -0.227 6.334 -1.979 1.00 0.00 O ATOM 309 CB LEU A 20 -2.390 8.212 -0.228 1.00 0.00 C ATOM 310 CG LEU A 20 -2.961 9.558 0.221 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.270 9.869 -0.507 1.00 0.00 C ATOM 312 CD2 LEU A 20 -3.126 9.604 1.741 1.00 0.00 C ATOM 0 H LEU A 20 -1.434 8.771 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.374 8.683 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.992 7.843 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.505 7.500 0.589 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.249 10.338 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.654 10.831 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.089 9.908 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.001 9.090 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.534 10.572 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.806 8.813 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.156 9.460 2.217 1.00 0.00 H new ATOM 324 N CYS A 21 0.036 6.207 0.264 1.00 0.00 N ATOM 325 CA CYS A 21 0.612 4.873 0.232 1.00 0.00 C ATOM 326 C CYS A 21 -0.450 3.880 0.709 1.00 0.00 C ATOM 327 O CYS A 21 -1.224 4.181 1.617 1.00 0.00 O ATOM 328 CB CYS A 21 1.889 4.789 1.069 1.00 0.00 C ATOM 329 SG CYS A 21 3.409 5.333 0.208 1.00 0.00 S ATOM 0 H CYS A 21 -0.053 6.611 1.196 1.00 0.00 H new ATOM 0 HA CYS A 21 0.907 4.625 -0.788 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.759 5.395 1.965 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.024 3.759 1.398 1.00 0.00 H new ATOM 334 N TYR A 22 -0.452 2.716 0.076 1.00 0.00 N ATOM 335 CA TYR A 22 -1.407 1.677 0.424 1.00 0.00 C ATOM 336 C TYR A 22 -0.727 0.308 0.486 1.00 0.00 C ATOM 337 O TYR A 22 0.260 0.068 -0.207 1.00 0.00 O ATOM 338 CB TYR A 22 -2.447 1.666 -0.698 1.00 0.00 C ATOM 339 CG TYR A 22 -2.108 0.723 -1.852 1.00 0.00 C ATOM 340 CD1 TYR A 22 -1.105 1.051 -2.741 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.805 -0.460 -2.005 1.00 0.00 C ATOM 342 CE1 TYR A 22 -0.785 0.162 -3.828 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.486 -1.348 -3.092 1.00 0.00 C ATOM 344 CZ TYR A 22 -1.492 -0.993 -3.950 1.00 0.00 C ATOM 345 OH TYR A 22 -1.189 -1.833 -4.976 1.00 0.00 O ATOM 0 H TYR A 22 0.192 2.469 -0.675 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.849 1.873 1.401 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.413 1.381 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.555 2.678 -1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.559 1.975 -2.622 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.589 -0.719 -1.309 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.002 0.407 -4.530 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.024 -2.275 -3.223 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.773 -2.619 -4.939 1.00 0.00 H new ATOM 355 N LYS A 23 -1.284 -0.556 1.323 1.00 0.00 N ATOM 356 CA LYS A 23 -0.745 -1.895 1.485 1.00 0.00 C ATOM 357 C LYS A 23 -1.895 -2.882 1.692 1.00 0.00 C ATOM 358 O LYS A 23 -2.749 -2.674 2.551 1.00 0.00 O ATOM 359 CB LYS A 23 0.298 -1.922 2.605 1.00 0.00 C ATOM 360 CG LYS A 23 -0.198 -1.153 3.833 1.00 0.00 C ATOM 361 CD LYS A 23 0.963 -0.466 4.554 1.00 0.00 C ATOM 362 CE LYS A 23 0.869 -0.673 6.067 1.00 0.00 C ATOM 363 NZ LYS A 23 1.035 0.614 6.778 1.00 0.00 N ATOM 0 H LYS A 23 -2.103 -0.354 1.896 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.218 -2.204 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.515 -2.954 2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.231 -1.484 2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.933 -0.408 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.702 -1.837 4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.909 -0.863 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.956 0.600 4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.095 -1.113 6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.636 -1.376 6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.968 0.455 7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.965 1.019 6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.288 1.274 6.481 1.00 0.00 H new ATOM 377 N MET A 24 -1.879 -3.937 0.890 1.00 0.00 N ATOM 378 CA MET A 24 -2.910 -4.956 0.973 1.00 0.00 C ATOM 379 C MET A 24 -2.412 -6.179 1.748 1.00 0.00 C ATOM 380 O MET A 24 -1.345 -6.714 1.449 1.00 0.00 O ATOM 381 CB MET A 24 -3.325 -5.381 -0.437 1.00 0.00 C ATOM 382 CG MET A 24 -3.998 -4.226 -1.180 1.00 0.00 C ATOM 383 SD MET A 24 -4.787 -4.831 -2.664 1.00 0.00 S ATOM 384 CE MET A 24 -3.483 -4.540 -3.848 1.00 0.00 C ATOM 0 H MET A 24 -1.167 -4.107 0.179 1.00 0.00 H new ATOM 0 HA MET A 24 -3.766 -4.536 1.502 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.449 -5.715 -0.993 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.008 -6.229 -0.379 1.00 0.00 H new ATOM 0 HG2 MET A 24 -4.736 -3.749 -0.535 1.00 0.00 H new ATOM 0 HG3 MET A 24 -3.259 -3.467 -1.435 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.773 -3.729 -4.517 1.00 0.00 H new ATOM 0 HE2 MET A 24 -2.568 -4.267 -3.322 1.00 0.00 H new ATOM 0 HE3 MET A 24 -3.311 -5.446 -4.429 1.00 0.00 H new ATOM 394 N PHE A 25 -3.207 -6.583 2.728 1.00 0.00 N ATOM 395 CA PHE A 25 -2.858 -7.731 3.548 1.00 0.00 C ATOM 396 C PHE A 25 -3.937 -8.812 3.462 1.00 0.00 C ATOM 397 O PHE A 25 -5.129 -8.506 3.441 1.00 0.00 O ATOM 398 CB PHE A 25 -2.762 -7.237 4.993 1.00 0.00 C ATOM 399 CG PHE A 25 -1.830 -6.038 5.179 1.00 0.00 C ATOM 400 CD1 PHE A 25 -0.539 -6.109 4.756 1.00 0.00 C ATOM 401 CD2 PHE A 25 -2.291 -4.902 5.769 1.00 0.00 C ATOM 402 CE1 PHE A 25 0.327 -4.996 4.929 1.00 0.00 C ATOM 403 CE2 PHE A 25 -1.425 -3.791 5.942 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.134 -3.860 5.518 1.00 0.00 C ATOM 0 H PHE A 25 -4.091 -6.136 2.973 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.919 -8.163 3.203 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.759 -6.967 5.341 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.415 -8.055 5.624 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.172 -7.011 4.289 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.316 -4.846 6.106 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.352 -5.052 4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.791 -2.890 6.411 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.524 -3.014 5.649 1.00 0.00 H new ATOM 414 N MET A 26 -3.482 -10.055 3.415 1.00 0.00 N ATOM 415 CA MET A 26 -4.393 -11.184 3.333 1.00 0.00 C ATOM 416 C MET A 26 -4.992 -11.507 4.703 1.00 0.00 C ATOM 417 O MET A 26 -4.388 -11.213 5.734 1.00 0.00 O ATOM 418 CB MET A 26 -3.644 -12.408 2.802 1.00 0.00 C ATOM 419 CG MET A 26 -3.058 -12.133 1.415 1.00 0.00 C ATOM 420 SD MET A 26 -1.843 -13.376 1.009 1.00 0.00 S ATOM 421 CE MET A 26 -2.886 -14.574 0.195 1.00 0.00 C ATOM 0 H MET A 26 -2.493 -10.306 3.432 1.00 0.00 H new ATOM 0 HA MET A 26 -5.205 -10.922 2.655 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.844 -12.677 3.492 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.322 -13.260 2.752 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.853 -12.132 0.669 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.600 -11.144 1.394 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.283 -15.423 -0.126 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.656 -14.916 0.887 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.358 -14.115 -0.674 1.00 0.00 H new ATOM 431 N MET A 27 -6.172 -12.108 4.671 1.00 0.00 N ATOM 432 CA MET A 27 -6.859 -12.474 5.899 1.00 0.00 C ATOM 433 C MET A 27 -6.064 -13.521 6.680 1.00 0.00 C ATOM 434 O MET A 27 -6.057 -13.508 7.911 1.00 0.00 O ATOM 435 CB MET A 27 -8.244 -13.031 5.561 1.00 0.00 C ATOM 436 CG MET A 27 -9.273 -11.905 5.438 1.00 0.00 C ATOM 437 SD MET A 27 -9.854 -11.430 7.057 1.00 0.00 S ATOM 438 CE MET A 27 -10.873 -10.029 6.621 1.00 0.00 C ATOM 0 H MET A 27 -6.670 -12.351 3.815 1.00 0.00 H new ATOM 0 HA MET A 27 -6.957 -11.583 6.519 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.197 -13.589 4.626 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.557 -13.732 6.335 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.827 -11.046 4.936 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.111 -12.233 4.823 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.317 -9.608 7.523 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.261 -9.272 6.130 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.664 -10.351 5.943 1.00 0.00 H new ATOM 448 N SER A 28 -5.413 -14.402 5.935 1.00 0.00 N ATOM 449 CA SER A 28 -4.616 -15.454 6.544 1.00 0.00 C ATOM 450 C SER A 28 -3.382 -14.852 7.217 1.00 0.00 C ATOM 451 O SER A 28 -3.467 -14.337 8.331 1.00 0.00 O ATOM 452 CB SER A 28 -4.199 -16.498 5.506 1.00 0.00 C ATOM 453 OG SER A 28 -3.164 -17.349 5.992 1.00 0.00 O ATOM 0 H SER A 28 -5.421 -14.409 4.915 1.00 0.00 H new ATOM 0 HA SER A 28 -5.225 -15.953 7.298 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.064 -17.101 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.859 -15.994 4.601 1.00 0.00 H new ATOM 0 HG SER A 28 -2.927 -18.003 5.301 1.00 0.00 H new ATOM 459 N ASP A 29 -2.262 -14.937 6.513 1.00 0.00 N ATOM 460 CA ASP A 29 -1.012 -14.408 7.030 1.00 0.00 C ATOM 461 C ASP A 29 -1.025 -12.881 6.918 1.00 0.00 C ATOM 462 O ASP A 29 -0.463 -12.319 5.978 1.00 0.00 O ATOM 463 CB ASP A 29 0.181 -14.930 6.227 1.00 0.00 C ATOM 464 CG ASP A 29 1.504 -14.976 6.992 1.00 0.00 C ATOM 465 OD1 ASP A 29 1.485 -14.600 8.184 1.00 0.00 O ATOM 466 OD2 ASP A 29 2.507 -15.388 6.368 1.00 0.00 O ATOM 0 H ASP A 29 -2.195 -15.364 5.589 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.915 -14.726 8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.051 -15.934 5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.310 -14.301 5.346 1.00 0.00 H new ATOM 471 N LEU A 30 -1.672 -12.254 7.888 1.00 0.00 N ATOM 472 CA LEU A 30 -1.766 -10.804 7.910 1.00 0.00 C ATOM 473 C LEU A 30 -0.420 -10.218 8.339 1.00 0.00 C ATOM 474 O LEU A 30 -0.178 -9.022 8.174 1.00 0.00 O ATOM 475 CB LEU A 30 -2.939 -10.356 8.785 1.00 0.00 C ATOM 476 CG LEU A 30 -4.242 -11.137 8.611 1.00 0.00 C ATOM 477 CD1 LEU A 30 -4.571 -11.943 9.870 1.00 0.00 C ATOM 478 CD2 LEU A 30 -5.390 -10.208 8.208 1.00 0.00 C ATOM 0 H LEU A 30 -2.137 -12.723 8.665 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.979 -10.420 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.634 -10.424 9.829 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.139 -9.304 8.580 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.106 -11.851 7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.502 -12.489 9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.765 -12.649 10.071 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.680 -11.266 10.717 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.305 -10.789 8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.536 -9.454 8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.148 -9.719 7.265 1.00 0.00 H new ATOM 490 N THR A 31 0.423 -11.085 8.881 1.00 0.00 N ATOM 491 CA THR A 31 1.738 -10.667 9.335 1.00 0.00 C ATOM 492 C THR A 31 2.740 -10.710 8.179 1.00 0.00 C ATOM 493 O THR A 31 3.924 -10.439 8.369 1.00 0.00 O ATOM 494 CB THR A 31 2.136 -11.556 10.516 1.00 0.00 C ATOM 495 OG1 THR A 31 3.490 -11.200 10.778 1.00 0.00 O ATOM 496 CG2 THR A 31 2.206 -13.036 10.136 1.00 0.00 C ATOM 0 H THR A 31 0.220 -12.076 9.016 1.00 0.00 H new ATOM 0 HA THR A 31 1.727 -9.632 9.677 1.00 0.00 H new ATOM 0 HB THR A 31 1.421 -11.423 11.328 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.785 -10.533 10.123 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.492 -13.623 11.009 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.230 -13.367 9.781 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.946 -13.175 9.347 1.00 0.00 H new ATOM 504 N ILE A 32 2.227 -11.051 7.006 1.00 0.00 N ATOM 505 CA ILE A 32 3.061 -11.133 5.820 1.00 0.00 C ATOM 506 C ILE A 32 2.293 -10.570 4.622 1.00 0.00 C ATOM 507 O ILE A 32 1.450 -11.252 4.044 1.00 0.00 O ATOM 508 CB ILE A 32 3.558 -12.565 5.612 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.817 -12.833 6.438 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.774 -12.860 4.126 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.770 -14.223 7.076 1.00 0.00 C ATOM 0 H ILE A 32 1.244 -11.274 6.852 1.00 0.00 H new ATOM 0 HA ILE A 32 3.956 -10.523 5.942 1.00 0.00 H new ATOM 0 HB ILE A 32 2.788 -13.249 5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.698 -12.751 5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.914 -12.075 7.216 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.127 -13.884 4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.833 -12.735 3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.516 -12.171 3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.677 -14.387 7.657 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.902 -14.294 7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.698 -14.980 6.295 1.00 0.00 H new ATOM 523 N PRO A 33 2.613 -9.328 4.286 1.00 0.00 N ATOM 524 CA PRO A 33 1.945 -8.644 3.134 1.00 0.00 C ATOM 525 C PRO A 33 1.819 -9.373 1.751 1.00 0.00 C ATOM 526 O PRO A 33 2.641 -10.226 1.419 1.00 0.00 O ATOM 527 CB PRO A 33 2.731 -7.317 3.036 1.00 0.00 C ATOM 528 CG PRO A 33 3.309 -7.069 4.430 1.00 0.00 C ATOM 529 CD PRO A 33 3.624 -8.467 4.961 1.00 0.00 C ATOM 0 HA PRO A 33 0.879 -8.567 3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.524 -7.387 2.291 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.079 -6.498 2.732 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.205 -6.449 4.385 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.595 -6.551 5.071 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.641 -8.771 4.713 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.532 -8.515 6.046 1.00 0.00 H new ATOM 537 N VAL A 34 0.789 -8.995 1.010 1.00 0.00 N ATOM 538 CA VAL A 34 0.549 -9.585 -0.296 1.00 0.00 C ATOM 539 C VAL A 34 0.883 -8.562 -1.383 1.00 0.00 C ATOM 540 O VAL A 34 1.516 -8.896 -2.383 1.00 0.00 O ATOM 541 CB VAL A 34 -0.889 -10.101 -0.382 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.879 -9.051 0.128 1.00 0.00 C ATOM 543 CG2 VAL A 34 -1.233 -10.531 -1.809 1.00 0.00 C ATOM 0 H VAL A 34 0.110 -8.287 1.289 1.00 0.00 H new ATOM 0 HA VAL A 34 1.199 -10.447 -0.450 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.969 -10.978 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.894 -9.442 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.654 -8.814 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.795 -8.148 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.260 -10.894 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.127 -9.680 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.557 -11.327 -2.122 1.00 0.00 H new ATOM 553 N LYS A 35 0.442 -7.334 -1.151 1.00 0.00 N ATOM 554 CA LYS A 35 0.686 -6.260 -2.098 1.00 0.00 C ATOM 555 C LYS A 35 1.015 -4.976 -1.333 1.00 0.00 C ATOM 556 O LYS A 35 0.483 -4.742 -0.248 1.00 0.00 O ATOM 557 CB LYS A 35 -0.494 -6.116 -3.062 1.00 0.00 C ATOM 558 CG LYS A 35 -1.015 -7.487 -3.498 1.00 0.00 C ATOM 559 CD LYS A 35 -1.663 -7.412 -4.882 1.00 0.00 C ATOM 560 CE LYS A 35 -1.319 -8.649 -5.716 1.00 0.00 C ATOM 561 NZ LYS A 35 -0.585 -8.260 -6.941 1.00 0.00 N ATOM 0 H LYS A 35 -0.083 -7.059 -0.321 1.00 0.00 H new ATOM 0 HA LYS A 35 1.550 -6.491 -2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.295 -5.555 -2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.186 -5.545 -3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.194 -8.203 -3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.741 -7.852 -2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.745 -7.329 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.323 -6.514 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.714 -9.337 -5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.233 -9.179 -5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.359 -9.111 -7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.175 -7.622 -7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.296 -7.774 -6.678 1.00 0.00 H new ATOM 575 N ARG A 36 1.887 -4.176 -1.929 1.00 0.00 N ATOM 576 CA ARG A 36 2.292 -2.923 -1.316 1.00 0.00 C ATOM 577 C ARG A 36 2.711 -1.918 -2.392 1.00 0.00 C ATOM 578 O ARG A 36 3.547 -2.225 -3.241 1.00 0.00 O ATOM 579 CB ARG A 36 3.454 -3.134 -0.345 1.00 0.00 C ATOM 580 CG ARG A 36 2.945 -3.524 1.045 1.00 0.00 C ATOM 581 CD ARG A 36 3.958 -3.145 2.127 1.00 0.00 C ATOM 582 NE ARG A 36 3.521 -3.675 3.437 1.00 0.00 N ATOM 583 CZ ARG A 36 4.099 -3.363 4.605 1.00 0.00 C ATOM 584 NH1 ARG A 36 5.141 -2.522 4.632 1.00 0.00 N ATOM 585 NH2 ARG A 36 3.635 -3.892 5.745 1.00 0.00 N ATOM 0 H ARG A 36 2.324 -4.371 -2.830 1.00 0.00 H new ATOM 0 HA ARG A 36 1.438 -2.534 -0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.114 -3.913 -0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.045 -2.221 -0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.995 -3.026 1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.756 -4.597 1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.940 -3.544 1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.058 -2.061 2.179 1.00 0.00 H new ATOM 0 HE ARG A 36 2.730 -4.319 3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.494 -2.119 3.764 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.581 -2.284 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.841 -4.533 5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.075 -3.654 6.634 1.00 0.00 H new ATOM 599 N GLY A 37 2.113 -0.739 -2.320 1.00 0.00 N ATOM 600 CA GLY A 37 2.414 0.313 -3.277 1.00 0.00 C ATOM 601 C GLY A 37 1.801 1.645 -2.839 1.00 0.00 C ATOM 602 O GLY A 37 1.720 1.933 -1.646 1.00 0.00 O ATOM 0 H GLY A 37 1.421 -0.488 -1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.494 0.421 -3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.030 0.037 -4.259 1.00 0.00 H new ATOM 606 N CYS A 38 1.384 2.420 -3.829 1.00 0.00 N ATOM 607 CA CYS A 38 0.779 3.715 -3.561 1.00 0.00 C ATOM 608 C CYS A 38 -0.535 3.802 -4.338 1.00 0.00 C ATOM 609 O CYS A 38 -0.754 3.044 -5.282 1.00 0.00 O ATOM 610 CB CYS A 38 1.727 4.864 -3.912 1.00 0.00 C ATOM 611 SG CYS A 38 3.424 4.690 -3.251 1.00 0.00 S ATOM 0 H CYS A 38 1.453 2.177 -4.817 1.00 0.00 H new ATOM 0 HA CYS A 38 0.575 3.811 -2.495 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.782 4.952 -4.997 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.301 5.795 -3.538 1.00 0.00 H new ATOM 616 N ILE A 39 -1.377 4.731 -3.912 1.00 0.00 N ATOM 617 CA ILE A 39 -2.665 4.927 -4.556 1.00 0.00 C ATOM 618 C ILE A 39 -3.132 6.366 -4.328 1.00 0.00 C ATOM 619 O ILE A 39 -2.476 7.130 -3.621 1.00 0.00 O ATOM 620 CB ILE A 39 -3.667 3.873 -4.082 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.757 3.640 -5.131 1.00 0.00 C ATOM 622 CG2 ILE A 39 -4.254 4.248 -2.719 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.115 2.156 -5.228 1.00 0.00 C ATOM 0 H ILE A 39 -1.193 5.357 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.577 4.788 -5.633 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.136 2.930 -3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.645 4.216 -4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.416 4.000 -6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.963 3.482 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.451 4.322 -1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.766 5.207 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.892 2.017 -5.980 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.230 1.586 -5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.479 1.806 -4.262 1.00 0.00 H new ATOM 635 N ASP A 40 -4.262 6.692 -4.937 1.00 0.00 N ATOM 636 CA ASP A 40 -4.824 8.026 -4.809 1.00 0.00 C ATOM 637 C ASP A 40 -5.952 8.001 -3.776 1.00 0.00 C ATOM 638 O ASP A 40 -5.999 8.845 -2.882 1.00 0.00 O ATOM 639 CB ASP A 40 -5.409 8.507 -6.138 1.00 0.00 C ATOM 640 CG ASP A 40 -6.555 9.514 -6.013 1.00 0.00 C ATOM 641 OD1 ASP A 40 -6.551 10.256 -5.007 1.00 0.00 O ATOM 642 OD2 ASP A 40 -7.408 9.519 -6.926 1.00 0.00 O ATOM 0 H ASP A 40 -4.804 6.055 -5.521 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.025 8.701 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.611 8.959 -6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.765 7.641 -6.696 1.00 0.00 H new ATOM 647 N VAL A 41 -6.835 7.026 -3.934 1.00 0.00 N ATOM 648 CA VAL A 41 -7.961 6.881 -3.026 1.00 0.00 C ATOM 649 C VAL A 41 -7.767 5.622 -2.178 1.00 0.00 C ATOM 650 O VAL A 41 -7.207 4.633 -2.648 1.00 0.00 O ATOM 651 CB VAL A 41 -9.272 6.874 -3.815 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.389 7.562 -3.028 1.00 0.00 C ATOM 653 CG2 VAL A 41 -9.088 7.524 -5.189 1.00 0.00 C ATOM 0 H VAL A 41 -6.794 6.329 -4.677 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.013 7.729 -2.343 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.564 5.836 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.310 7.543 -3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.546 7.038 -2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.108 8.596 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.034 7.506 -5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.762 8.556 -5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.337 6.973 -5.755 1.00 0.00 H new ATOM 663 N CYS A 42 -8.242 5.700 -0.944 1.00 0.00 N ATOM 664 CA CYS A 42 -8.127 4.580 -0.026 1.00 0.00 C ATOM 665 C CYS A 42 -9.159 3.523 -0.427 1.00 0.00 C ATOM 666 O CYS A 42 -10.361 3.736 -0.276 1.00 0.00 O ATOM 667 CB CYS A 42 -8.299 5.021 1.429 1.00 0.00 C ATOM 668 SG CYS A 42 -7.508 3.924 2.662 1.00 0.00 S ATOM 0 H CYS A 42 -8.707 6.522 -0.558 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.126 4.154 -0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.889 6.025 1.541 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.364 5.085 1.651 1.00 0.00 H new ATOM 673 N PRO A 43 -8.652 2.409 -0.931 1.00 0.00 N ATOM 674 CA PRO A 43 -9.541 1.284 -1.368 1.00 0.00 C ATOM 675 C PRO A 43 -10.434 0.535 -0.321 1.00 0.00 C ATOM 676 O PRO A 43 -10.084 0.458 0.856 1.00 0.00 O ATOM 677 CB PRO A 43 -8.550 0.340 -2.086 1.00 0.00 C ATOM 678 CG PRO A 43 -7.290 1.170 -2.339 1.00 0.00 C ATOM 679 CD PRO A 43 -7.215 2.116 -1.143 1.00 0.00 C ATOM 0 HA PRO A 43 -10.350 1.696 -1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.326 -0.532 -1.472 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.970 -0.028 -3.022 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.404 0.539 -2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.358 1.720 -3.278 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.756 1.647 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.638 3.014 -1.362 1.00 0.00 H new ATOM 687 N LYS A 44 -11.552 0.017 -0.807 1.00 0.00 N ATOM 688 CA LYS A 44 -12.476 -0.706 0.050 1.00 0.00 C ATOM 689 C LYS A 44 -11.881 -2.073 0.396 1.00 0.00 C ATOM 690 O LYS A 44 -11.257 -2.715 -0.449 1.00 0.00 O ATOM 691 CB LYS A 44 -13.859 -0.783 -0.599 1.00 0.00 C ATOM 692 CG LYS A 44 -14.478 0.609 -0.740 1.00 0.00 C ATOM 693 CD LYS A 44 -15.752 0.730 0.098 1.00 0.00 C ATOM 694 CE LYS A 44 -16.491 2.033 -0.213 1.00 0.00 C ATOM 695 NZ LYS A 44 -17.828 2.036 0.422 1.00 0.00 N ATOM 0 H LYS A 44 -11.839 0.084 -1.784 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.620 -0.174 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.778 -1.250 -1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.512 -1.416 0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.758 1.365 -0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.708 0.804 -1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.405 -0.119 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.499 0.695 1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.910 2.882 0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.594 2.151 -1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.315 2.928 0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.386 1.237 0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.723 1.946 1.453 1.00 0.00 H new ATOM 709 N ASN A 45 -12.097 -2.479 1.639 1.00 0.00 N ATOM 710 CA ASN A 45 -11.589 -3.759 2.105 1.00 0.00 C ATOM 711 C ASN A 45 -12.593 -4.859 1.753 1.00 0.00 C ATOM 712 O ASN A 45 -13.778 -4.588 1.569 1.00 0.00 O ATOM 713 CB ASN A 45 -11.406 -3.756 3.625 1.00 0.00 C ATOM 714 CG ASN A 45 -10.871 -2.407 4.110 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.823 -1.940 3.694 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.646 -1.811 5.011 1.00 0.00 N ATOM 0 H ASN A 45 -12.616 -1.946 2.337 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.627 -3.937 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.359 -3.969 4.110 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.717 -4.550 3.914 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.376 -0.907 5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.511 -2.258 5.315 1.00 0.00 H new ATOM 723 N SER A 46 -12.079 -6.078 1.669 1.00 0.00 N ATOM 724 CA SER A 46 -12.915 -7.221 1.343 1.00 0.00 C ATOM 725 C SER A 46 -12.835 -8.264 2.458 1.00 0.00 C ATOM 726 O SER A 46 -12.036 -8.129 3.383 1.00 0.00 O ATOM 727 CB SER A 46 -12.502 -7.840 0.005 1.00 0.00 C ATOM 728 OG SER A 46 -11.126 -8.208 -0.009 1.00 0.00 O ATOM 0 H SER A 46 -11.095 -6.299 1.821 1.00 0.00 H new ATOM 0 HA SER A 46 -13.945 -6.877 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.115 -8.720 -0.192 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.696 -7.130 -0.799 1.00 0.00 H new ATOM 0 HG SER A 46 -10.657 -7.747 0.718 1.00 0.00 H new ATOM 734 N LEU A 47 -13.675 -9.282 2.334 1.00 0.00 N ATOM 735 CA LEU A 47 -13.708 -10.348 3.321 1.00 0.00 C ATOM 736 C LEU A 47 -12.559 -11.322 3.054 1.00 0.00 C ATOM 737 O LEU A 47 -12.418 -12.328 3.747 1.00 0.00 O ATOM 738 CB LEU A 47 -15.085 -11.015 3.342 1.00 0.00 C ATOM 739 CG LEU A 47 -16.231 -10.170 3.903 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.587 -10.813 3.598 1.00 0.00 C ATOM 741 CD2 LEU A 47 -16.042 -9.914 5.399 1.00 0.00 C ATOM 0 H LEU A 47 -14.337 -9.391 1.566 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.558 -9.944 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.341 -11.308 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.014 -11.931 3.929 1.00 0.00 H new ATOM 0 HG LEU A 47 -16.215 -9.200 3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.384 -10.193 4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.714 -10.901 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.630 -11.804 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.870 -9.311 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -16.017 -10.865 5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -15.104 -9.383 5.562 1.00 0.00 H new ATOM 753 N LEU A 48 -11.765 -10.987 2.047 1.00 0.00 N ATOM 754 CA LEU A 48 -10.631 -11.819 1.680 1.00 0.00 C ATOM 755 C LEU A 48 -9.339 -11.147 2.147 1.00 0.00 C ATOM 756 O LEU A 48 -8.553 -11.747 2.880 1.00 0.00 O ATOM 757 CB LEU A 48 -10.656 -12.128 0.181 1.00 0.00 C ATOM 758 CG LEU A 48 -11.948 -12.748 -0.354 1.00 0.00 C ATOM 759 CD1 LEU A 48 -12.520 -13.765 0.636 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.967 -11.666 -0.716 1.00 0.00 C ATOM 0 H LEU A 48 -11.884 -10.151 1.474 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.689 -12.785 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.468 -11.203 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.831 -12.804 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.712 -13.288 -1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.438 -14.190 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.793 -14.561 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.737 -13.269 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.876 -12.134 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.203 -11.077 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.549 -11.014 -1.483 1.00 0.00 H new ATOM 772 N VAL A 49 -9.158 -9.911 1.706 1.00 0.00 N ATOM 773 CA VAL A 49 -7.974 -9.152 2.070 1.00 0.00 C ATOM 774 C VAL A 49 -8.394 -7.761 2.551 1.00 0.00 C ATOM 775 O VAL A 49 -9.515 -7.324 2.297 1.00 0.00 O ATOM 776 CB VAL A 49 -6.998 -9.107 0.893 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.823 -10.495 0.273 1.00 0.00 C ATOM 778 CG2 VAL A 49 -7.452 -8.091 -0.157 1.00 0.00 C ATOM 0 H VAL A 49 -9.812 -9.416 1.100 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.448 -9.637 2.893 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.029 -8.785 1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.124 -10.435 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.433 -11.182 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.786 -10.857 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.741 -8.079 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.437 -8.370 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.502 -7.100 0.294 1.00 0.00 H new ATOM 788 N LYS A 50 -7.471 -7.105 3.239 1.00 0.00 N ATOM 789 CA LYS A 50 -7.731 -5.773 3.759 1.00 0.00 C ATOM 790 C LYS A 50 -6.754 -4.782 3.123 1.00 0.00 C ATOM 791 O LYS A 50 -5.576 -5.092 2.950 1.00 0.00 O ATOM 792 CB LYS A 50 -7.694 -5.778 5.288 1.00 0.00 C ATOM 793 CG LYS A 50 -8.073 -4.406 5.850 1.00 0.00 C ATOM 794 CD LYS A 50 -6.952 -3.846 6.729 1.00 0.00 C ATOM 795 CE LYS A 50 -7.349 -3.874 8.207 1.00 0.00 C ATOM 796 NZ LYS A 50 -6.715 -2.752 8.934 1.00 0.00 N ATOM 0 H LYS A 50 -6.542 -7.471 3.448 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.736 -5.448 3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.381 -6.534 5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.696 -6.052 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.276 -3.717 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.991 -4.488 6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.043 -4.430 6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.726 -2.823 6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.433 -3.809 8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.047 -4.821 8.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.994 -2.785 9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.681 -2.831 8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.024 -1.850 8.518 1.00 0.00 H new ATOM 810 N TYR A 51 -7.278 -3.611 2.792 1.00 0.00 N ATOM 811 CA TYR A 51 -6.467 -2.573 2.180 1.00 0.00 C ATOM 812 C TYR A 51 -6.142 -1.467 3.186 1.00 0.00 C ATOM 813 O TYR A 51 -7.043 -0.873 3.773 1.00 0.00 O ATOM 814 CB TYR A 51 -7.316 -1.986 1.051 1.00 0.00 C ATOM 815 CG TYR A 51 -7.626 -2.976 -0.073 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.365 -4.112 0.191 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.169 -2.733 -1.353 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.657 -5.044 -0.867 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.461 -3.665 -2.411 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.191 -4.775 -2.116 1.00 0.00 C ATOM 821 OH TYR A 51 -8.468 -5.654 -3.115 1.00 0.00 O ATOM 0 H TYR A 51 -8.256 -3.358 2.936 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.523 -2.984 1.823 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.254 -1.620 1.468 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.797 -1.125 0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.724 -4.302 1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.592 -1.844 -1.561 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.233 -5.937 -0.673 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.109 -3.487 -3.416 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.073 -5.333 -3.952 1.00 0.00 H new ATOM 831 N VAL A 52 -4.849 -1.225 3.353 1.00 0.00 N ATOM 832 CA VAL A 52 -4.393 -0.200 4.276 1.00 0.00 C ATOM 833 C VAL A 52 -3.885 1.005 3.484 1.00 0.00 C ATOM 834 O VAL A 52 -3.510 0.875 2.319 1.00 0.00 O ATOM 835 CB VAL A 52 -3.341 -0.781 5.223 1.00 0.00 C ATOM 836 CG1 VAL A 52 -2.423 0.318 5.761 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.001 -1.553 6.368 1.00 0.00 C ATOM 0 H VAL A 52 -4.104 -1.721 2.865 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.217 0.147 4.900 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.729 -1.482 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.684 -0.121 6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.914 0.806 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.016 1.053 6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.231 -1.956 7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.648 -0.882 6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.594 -2.372 5.960 1.00 0.00 H new ATOM 847 N CYS A 53 -3.886 2.153 4.147 1.00 0.00 N ATOM 848 CA CYS A 53 -3.429 3.380 3.519 1.00 0.00 C ATOM 849 C CYS A 53 -2.573 4.147 4.529 1.00 0.00 C ATOM 850 O CYS A 53 -2.658 3.903 5.732 1.00 0.00 O ATOM 851 CB CYS A 53 -4.598 4.223 3.006 1.00 0.00 C ATOM 852 SG CYS A 53 -5.757 3.335 1.902 1.00 0.00 S ATOM 0 H CYS A 53 -4.196 2.258 5.113 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.828 3.140 2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.154 4.606 3.861 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.199 5.086 2.473 1.00 0.00 H new ATOM 857 N CYS A 54 -1.768 5.059 4.003 1.00 0.00 N ATOM 858 CA CYS A 54 -0.898 5.863 4.845 1.00 0.00 C ATOM 859 C CYS A 54 -0.403 7.055 4.023 1.00 0.00 C ATOM 860 O CYS A 54 -0.348 6.988 2.796 1.00 0.00 O ATOM 861 CB CYS A 54 0.261 5.039 5.411 1.00 0.00 C ATOM 862 SG CYS A 54 1.077 3.933 4.203 1.00 0.00 S ATOM 0 H CYS A 54 -1.700 5.259 3.005 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.456 6.225 5.709 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.007 5.720 5.820 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.110 4.437 6.240 1.00 0.00 H new ATOM 867 N ASN A 55 -0.055 8.118 4.733 1.00 0.00 N ATOM 868 CA ASN A 55 0.435 9.323 4.085 1.00 0.00 C ATOM 869 C ASN A 55 1.854 9.621 4.574 1.00 0.00 C ATOM 870 O ASN A 55 2.419 10.664 4.253 1.00 0.00 O ATOM 871 CB ASN A 55 -0.445 10.528 4.425 1.00 0.00 C ATOM 872 CG ASN A 55 -1.025 10.401 5.835 1.00 0.00 C ATOM 873 OD1 ASN A 55 -0.107 10.334 6.795 1.00 0.00 O flip ATOM 874 ND2 ASN A 55 -2.228 10.367 6.040 1.00 0.00 N flip ATOM 0 H ASN A 55 -0.103 8.170 5.751 1.00 0.00 H new ATOM 0 HA ASN A 55 0.418 9.156 3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.141 11.444 4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.255 10.608 3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.880 10.423 5.258 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.581 10.283 6.993 1.00 0.00 H new ATOM 881 N THR A 56 2.387 8.685 5.345 1.00 0.00 N ATOM 882 CA THR A 56 3.730 8.833 5.882 1.00 0.00 C ATOM 883 C THR A 56 4.748 8.146 4.970 1.00 0.00 C ATOM 884 O THR A 56 4.384 7.305 4.149 1.00 0.00 O ATOM 885 CB THR A 56 3.730 8.289 7.312 1.00 0.00 C ATOM 886 OG1 THR A 56 2.863 7.160 7.254 1.00 0.00 O ATOM 887 CG2 THR A 56 3.044 9.236 8.298 1.00 0.00 C ATOM 0 H THR A 56 1.914 7.821 5.611 1.00 0.00 H new ATOM 0 HA THR A 56 4.028 9.881 5.918 1.00 0.00 H new ATOM 0 HB THR A 56 4.756 8.112 7.633 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.807 6.745 8.140 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.071 8.803 9.298 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.563 10.194 8.303 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.007 9.387 7.996 1.00 0.00 H new ATOM 895 N ASP A 57 6.005 8.529 5.145 1.00 0.00 N ATOM 896 CA ASP A 57 7.078 7.960 4.349 1.00 0.00 C ATOM 897 C ASP A 57 7.431 6.575 4.892 1.00 0.00 C ATOM 898 O ASP A 57 7.190 6.282 6.062 1.00 0.00 O ATOM 899 CB ASP A 57 8.335 8.830 4.418 1.00 0.00 C ATOM 900 CG ASP A 57 8.077 10.325 4.610 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.788 10.987 3.590 1.00 0.00 O ATOM 902 OD2 ASP A 57 8.175 10.773 5.773 1.00 0.00 O ATOM 0 H ASP A 57 6.303 9.227 5.827 1.00 0.00 H new ATOM 0 HA ASP A 57 6.737 7.901 3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.959 8.476 5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.906 8.690 3.500 1.00 0.00 H new ATOM 907 N ARG A 58 7.998 5.756 4.016 1.00 0.00 N ATOM 908 CA ARG A 58 8.387 4.408 4.393 1.00 0.00 C ATOM 909 C ARG A 58 7.348 3.802 5.339 1.00 0.00 C ATOM 910 O ARG A 58 7.702 3.134 6.311 1.00 0.00 O ATOM 911 CB ARG A 58 9.756 4.402 5.077 1.00 0.00 C ATOM 912 CG ARG A 58 10.863 4.771 4.090 1.00 0.00 C ATOM 913 CD ARG A 58 12.218 4.864 4.796 1.00 0.00 C ATOM 914 NE ARG A 58 12.894 3.548 4.770 1.00 0.00 N ATOM 915 CZ ARG A 58 14.206 3.373 4.978 1.00 0.00 C ATOM 916 NH1 ARG A 58 14.991 4.430 5.231 1.00 0.00 N ATOM 917 NH2 ARG A 58 14.733 2.142 4.936 1.00 0.00 N ATOM 0 H ARG A 58 8.197 6.001 3.046 1.00 0.00 H new ATOM 0 HA ARG A 58 8.446 3.811 3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.755 5.108 5.908 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.952 3.416 5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.912 4.024 3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.630 5.724 3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.842 5.612 4.307 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.079 5.190 5.827 1.00 0.00 H new ATOM 0 HE ARG A 58 12.326 2.722 4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.589 5.367 5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.990 4.297 5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.135 1.338 4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.732 2.009 5.094 1.00 0.00 H new ATOM 931 N CYS A 59 6.087 4.054 5.022 1.00 0.00 N ATOM 932 CA CYS A 59 4.994 3.541 5.831 1.00 0.00 C ATOM 933 C CYS A 59 4.719 2.098 5.406 1.00 0.00 C ATOM 934 O CYS A 59 4.634 1.204 6.248 1.00 0.00 O ATOM 935 CB CYS A 59 3.745 4.418 5.718 1.00 0.00 C ATOM 936 SG CYS A 59 2.989 4.464 4.052 1.00 0.00 S ATOM 0 H CYS A 59 5.797 4.607 4.215 1.00 0.00 H new ATOM 0 HA CYS A 59 5.277 3.561 6.884 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.001 4.060 6.430 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.004 5.435 6.012 1.00 0.00 H new ATOM 941 N ASN A 60 4.586 1.914 4.101 1.00 0.00 N ATOM 942 CA ASN A 60 4.322 0.594 3.554 1.00 0.00 C ATOM 943 C ASN A 60 5.599 0.048 2.911 1.00 0.00 C ATOM 944 O ASN A 60 6.213 0.715 2.079 1.00 0.00 O ATOM 945 CB ASN A 60 3.237 0.652 2.476 1.00 0.00 C ATOM 946 CG ASN A 60 3.788 1.237 1.174 1.00 0.00 C ATOM 947 OD1 ASN A 60 3.661 2.416 0.892 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.404 0.349 0.400 1.00 0.00 N ATOM 0 H ASN A 60 4.656 2.657 3.406 1.00 0.00 H new ATOM 0 HA ASN A 60 3.987 -0.048 4.369 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.848 -0.349 2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.403 1.259 2.827 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.806 0.641 -0.491 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.475 -0.624 0.697 1.00 0.00 H new TER 955 ASN A 60 HETATM 956 O HOH A 61 -0.971 -11.644 3.022 1.00 0.00 O