USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 LYS NZ :NH3+ -129:sc= -0.28 (180deg=-2.61!) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= -0.13 USER MOD Set 2.1: A 13 GLN : amide:sc=-0.00458 X(o=-0.04,f=-0.085) USER MOD Set 2.2: A 31 LYS NZ :NH3+ -115:sc= -0.0356 (180deg=-0.68) USER MOD Single : A 17 ASN : amide:sc= -1.03 K(o=-1,f=0.6) USER MOD Single : A 18 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.6) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0338 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0382 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 30:sc= 0.368 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.33) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -2.47 K(o=-2.5,f=-0.13) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 97:sc= 0.456 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -108:sc= 0.147 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 110:sc= 0.128 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.087 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -142:sc= -0.793 USER MOD Single : A 99 SER OG : rot -57:sc= 0.517 USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 9.201 15.517 -0.780 1.00 0.00 N ATOM 81 CA PRO A 9 8.856 14.490 0.207 1.00 0.00 C ATOM 82 C PRO A 9 9.574 13.170 -0.055 1.00 0.00 C ATOM 83 O PRO A 9 9.572 12.664 -1.177 1.00 0.00 O ATOM 84 CB PRO A 9 7.345 14.320 0.029 1.00 0.00 C ATOM 85 CG PRO A 9 7.079 14.744 -1.374 1.00 0.00 C ATOM 86 CD PRO A 9 8.075 15.830 -1.675 1.00 0.00 C ATOM 0 HA PRO A 9 9.151 14.779 1.216 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.041 13.287 0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.791 14.933 0.740 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.194 13.907 -2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.058 15.109 -1.484 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.378 15.818 -2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.664 16.819 -1.473 1.00 0.00 H new ATOM 94 N ILE A 10 10.188 12.619 0.987 1.00 0.00 N ATOM 95 CA ILE A 10 10.908 11.357 0.869 1.00 0.00 C ATOM 96 C ILE A 10 10.188 10.241 1.616 1.00 0.00 C ATOM 97 O ILE A 10 9.645 10.455 2.700 1.00 0.00 O ATOM 98 CB ILE A 10 12.346 11.477 1.409 1.00 0.00 C ATOM 99 CG1 ILE A 10 13.111 12.561 0.647 1.00 0.00 C ATOM 100 CG2 ILE A 10 13.064 10.141 1.304 1.00 0.00 C ATOM 101 CD1 ILE A 10 12.965 13.941 1.250 1.00 0.00 C ATOM 0 H ILE A 10 10.201 13.027 1.922 1.00 0.00 H new ATOM 0 HA ILE A 10 10.946 11.114 -0.193 1.00 0.00 H new ATOM 0 HB ILE A 10 12.301 11.761 2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.168 12.296 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.760 12.585 -0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.079 10.242 1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.527 9.393 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 10 13.102 9.829 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.534 14.659 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.913 14.227 1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.343 13.933 2.272 1.00 0.00 H new ATOM 113 N ILE A 11 10.189 9.048 1.031 1.00 0.00 N ATOM 114 CA ILE A 11 9.538 7.896 1.643 1.00 0.00 C ATOM 115 C ILE A 11 10.530 7.071 2.455 1.00 0.00 C ATOM 116 O ILE A 11 11.190 6.176 1.926 1.00 0.00 O ATOM 117 CB ILE A 11 8.881 6.992 0.583 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.851 7.782 -0.226 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.230 5.787 1.246 1.00 0.00 C ATOM 120 CD1 ILE A 11 7.419 7.087 -1.498 1.00 0.00 C ATOM 0 H ILE A 11 10.633 8.854 0.134 1.00 0.00 H new ATOM 0 HA ILE A 11 8.765 8.285 2.306 1.00 0.00 H new ATOM 0 HB ILE A 11 9.654 6.635 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.974 7.963 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.269 8.757 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.770 5.157 0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.986 5.214 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.467 6.125 1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.688 7.705 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.286 6.930 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.971 6.124 -1.252 1.00 0.00 H new ATOM 132 N LEU A 12 10.629 7.377 3.744 1.00 0.00 N ATOM 133 CA LEU A 12 11.540 6.662 4.632 1.00 0.00 C ATOM 134 C LEU A 12 11.366 5.153 4.491 1.00 0.00 C ATOM 135 O LEU A 12 12.302 4.442 4.129 1.00 0.00 O ATOM 136 CB LEU A 12 11.303 7.081 6.084 1.00 0.00 C ATOM 137 CG LEU A 12 11.361 8.583 6.367 1.00 0.00 C ATOM 138 CD1 LEU A 12 10.847 8.882 7.766 1.00 0.00 C ATOM 139 CD2 LEU A 12 12.781 9.103 6.195 1.00 0.00 C ATOM 0 H LEU A 12 10.090 8.115 4.198 1.00 0.00 H new ATOM 0 HA LEU A 12 12.560 6.919 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.326 6.711 6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.044 6.585 6.710 1.00 0.00 H new ATOM 0 HG LEU A 12 10.719 9.094 5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.896 9.955 7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.814 8.545 7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.462 8.360 8.499 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.804 10.173 6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.444 8.586 6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.113 8.922 5.173 1.00 0.00 H new ATOM 151 N GLN A 13 10.160 4.673 4.778 1.00 0.00 N ATOM 152 CA GLN A 13 9.863 3.249 4.681 1.00 0.00 C ATOM 153 C GLN A 13 8.561 3.014 3.921 1.00 0.00 C ATOM 154 O GLN A 13 7.472 3.198 4.463 1.00 0.00 O ATOM 155 CB GLN A 13 9.770 2.630 6.077 1.00 0.00 C ATOM 156 CG GLN A 13 11.067 2.713 6.866 1.00 0.00 C ATOM 157 CD GLN A 13 10.892 2.319 8.320 1.00 0.00 C ATOM 158 OE1 GLN A 13 10.379 1.242 8.626 1.00 0.00 O ATOM 159 NE2 GLN A 13 11.318 3.192 9.225 1.00 0.00 N ATOM 0 H GLN A 13 9.374 5.249 5.079 1.00 0.00 H new ATOM 0 HA GLN A 13 10.674 2.771 4.132 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.981 3.133 6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.478 1.584 5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.811 2.063 6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.455 3.730 6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.737 4.073 8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.226 2.982 10.219 1.00 0.00 H new ATOM 168 N GLY A 14 8.683 2.607 2.661 1.00 0.00 N ATOM 169 CA GLY A 14 7.508 2.355 1.847 1.00 0.00 C ATOM 170 C GLY A 14 7.099 0.895 1.856 1.00 0.00 C ATOM 171 O GLY A 14 7.533 0.112 2.701 1.00 0.00 O ATOM 0 H GLY A 14 9.574 2.447 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.680 2.963 2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.706 2.667 0.822 1.00 0.00 H new ATOM 175 N PRO A 15 6.242 0.511 0.899 1.00 0.00 N ATOM 176 CA PRO A 15 5.754 -0.866 0.780 1.00 0.00 C ATOM 177 C PRO A 15 6.845 -1.831 0.326 1.00 0.00 C ATOM 178 O PRO A 15 7.964 -1.418 0.022 1.00 0.00 O ATOM 179 CB PRO A 15 4.656 -0.763 -0.283 1.00 0.00 C ATOM 180 CG PRO A 15 5.025 0.431 -1.093 1.00 0.00 C ATOM 181 CD PRO A 15 5.683 1.391 -0.141 1.00 0.00 C ATOM 0 HA PRO A 15 5.406 -1.259 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.615 -1.662 -0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.673 -0.644 0.173 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.702 0.159 -1.903 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.143 0.879 -1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.460 1.976 -0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.966 2.099 0.275 1.00 0.00 H new ATOM 189 N ALA A 16 6.511 -3.116 0.284 1.00 0.00 N ATOM 190 CA ALA A 16 7.462 -4.139 -0.135 1.00 0.00 C ATOM 191 C ALA A 16 6.747 -5.331 -0.761 1.00 0.00 C ATOM 192 O ALA A 16 5.582 -5.594 -0.464 1.00 0.00 O ATOM 193 CB ALA A 16 8.307 -4.589 1.047 1.00 0.00 C ATOM 0 H ALA A 16 5.589 -3.474 0.535 1.00 0.00 H new ATOM 0 HA ALA A 16 8.116 -3.704 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.013 -5.353 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.855 -3.736 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.660 -5.001 1.821 1.00 0.00 H new ATOM 199 N ASN A 17 7.451 -6.048 -1.630 1.00 0.00 N ATOM 200 CA ASN A 17 6.882 -7.212 -2.300 1.00 0.00 C ATOM 201 C ASN A 17 6.630 -8.342 -1.306 1.00 0.00 C ATOM 202 O ASN A 17 7.557 -9.041 -0.898 1.00 0.00 O ATOM 203 CB ASN A 17 7.816 -7.695 -3.411 1.00 0.00 C ATOM 204 CG ASN A 17 9.277 -7.610 -3.016 1.00 0.00 C ATOM 205 OD1 ASN A 17 9.668 -8.064 -1.940 1.00 0.00 O ATOM 206 ND2 ASN A 17 10.093 -7.027 -3.887 1.00 0.00 N ATOM 0 H ASN A 17 8.417 -5.844 -1.887 1.00 0.00 H new ATOM 0 HA ASN A 17 5.929 -6.917 -2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.571 -8.726 -3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.649 -7.097 -4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.087 -6.941 -3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.725 -6.665 -4.767 1.00 0.00 H new ATOM 213 N GLN A 18 5.369 -8.514 -0.921 1.00 0.00 N ATOM 214 CA GLN A 18 4.996 -9.559 0.025 1.00 0.00 C ATOM 215 C GLN A 18 4.053 -10.568 -0.623 1.00 0.00 C ATOM 216 O GLN A 18 3.127 -10.195 -1.344 1.00 0.00 O ATOM 217 CB GLN A 18 4.335 -8.945 1.260 1.00 0.00 C ATOM 218 CG GLN A 18 3.235 -7.949 0.930 1.00 0.00 C ATOM 219 CD GLN A 18 2.818 -7.121 2.130 1.00 0.00 C ATOM 220 OE1 GLN A 18 2.524 -7.659 3.198 1.00 0.00 O ATOM 221 NE2 GLN A 18 2.792 -5.804 1.960 1.00 0.00 N ATOM 0 H GLN A 18 4.590 -7.944 -1.249 1.00 0.00 H new ATOM 0 HA GLN A 18 5.904 -10.081 0.329 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.918 -9.744 1.874 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.097 -8.447 1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.578 -7.285 0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.368 -8.485 0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.044 -5.401 1.057 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.520 -5.195 2.732 1.00 0.00 H new ATOM 230 N THR A 19 4.293 -11.849 -0.360 1.00 0.00 N ATOM 231 CA THR A 19 3.467 -12.912 -0.918 1.00 0.00 C ATOM 232 C THR A 19 2.646 -13.597 0.168 1.00 0.00 C ATOM 233 O THR A 19 3.159 -14.433 0.913 1.00 0.00 O ATOM 234 CB THR A 19 4.323 -13.967 -1.642 1.00 0.00 C ATOM 235 OG1 THR A 19 5.132 -13.340 -2.644 1.00 0.00 O ATOM 236 CG2 THR A 19 3.444 -15.029 -2.286 1.00 0.00 C ATOM 0 H THR A 19 5.053 -12.175 0.236 1.00 0.00 H new ATOM 0 HA THR A 19 2.794 -12.445 -1.638 1.00 0.00 H new ATOM 0 HB THR A 19 4.966 -14.447 -0.905 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.674 -14.018 -3.098 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.071 -15.763 -2.791 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.851 -15.526 -1.518 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.779 -14.560 -3.011 1.00 0.00 H new ATOM 244 N LEU A 20 1.369 -13.240 0.252 1.00 0.00 N ATOM 245 CA LEU A 20 0.476 -13.822 1.248 1.00 0.00 C ATOM 246 C LEU A 20 -0.504 -14.794 0.598 1.00 0.00 C ATOM 247 O LEU A 20 -0.504 -14.969 -0.620 1.00 0.00 O ATOM 248 CB LEU A 20 -0.291 -12.720 1.980 1.00 0.00 C ATOM 249 CG LEU A 20 0.560 -11.629 2.631 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.320 -10.497 3.138 1.00 0.00 C ATOM 251 CD2 LEU A 20 1.393 -12.208 3.765 1.00 0.00 C ATOM 0 H LEU A 20 0.929 -12.551 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 20 1.083 -14.373 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.972 -12.248 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.905 -13.184 2.752 1.00 0.00 H new ATOM 0 HG LEU A 20 1.237 -11.226 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.303 -9.730 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.872 -10.064 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.022 -10.885 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.992 -11.417 4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.733 -12.638 4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.051 -12.984 3.374 1.00 0.00 H new ATOM 263 N ALA A 21 -1.339 -15.422 1.420 1.00 0.00 N ATOM 264 CA ALA A 21 -2.327 -16.373 0.925 1.00 0.00 C ATOM 265 C ALA A 21 -3.690 -15.710 0.757 1.00 0.00 C ATOM 266 O ALA A 21 -4.049 -14.806 1.511 1.00 0.00 O ATOM 267 CB ALA A 21 -2.429 -17.565 1.865 1.00 0.00 C ATOM 0 H ALA A 21 -1.351 -15.289 2.431 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.000 -16.724 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.170 -18.267 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.460 -18.060 1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.730 -17.223 2.855 1.00 0.00 H new ATOM 273 N VAL A 22 -4.445 -16.166 -0.238 1.00 0.00 N ATOM 274 CA VAL A 22 -5.770 -15.618 -0.504 1.00 0.00 C ATOM 275 C VAL A 22 -6.689 -15.790 0.700 1.00 0.00 C ATOM 276 O VAL A 22 -6.454 -16.643 1.556 1.00 0.00 O ATOM 277 CB VAL A 22 -6.418 -16.287 -1.731 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.653 -17.767 -1.469 1.00 0.00 C ATOM 279 CG2 VAL A 22 -7.719 -15.588 -2.094 1.00 0.00 C ATOM 0 H VAL A 22 -4.162 -16.913 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.638 -14.555 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.736 -16.196 -2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.111 -18.224 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.701 -18.255 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.315 -17.884 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.163 -16.074 -2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.410 -15.646 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.518 -14.542 -2.326 1.00 0.00 H new ATOM 289 N ASP A 23 -7.736 -14.975 0.759 1.00 0.00 N ATOM 290 CA ASP A 23 -8.693 -15.037 1.858 1.00 0.00 C ATOM 291 C ASP A 23 -8.021 -14.693 3.183 1.00 0.00 C ATOM 292 O ASP A 23 -8.289 -15.318 4.208 1.00 0.00 O ATOM 293 CB ASP A 23 -9.320 -16.430 1.937 1.00 0.00 C ATOM 294 CG ASP A 23 -10.539 -16.567 1.045 1.00 0.00 C ATOM 295 OD1 ASP A 23 -10.361 -16.792 -0.170 1.00 0.00 O ATOM 296 OD2 ASP A 23 -11.669 -16.449 1.563 1.00 0.00 O ATOM 0 H ASP A 23 -7.944 -14.263 0.059 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.477 -14.304 1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.578 -17.176 1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.603 -16.640 2.969 1.00 0.00 H new ATOM 301 N GLY A 24 -7.145 -13.693 3.155 1.00 0.00 N ATOM 302 CA GLY A 24 -6.447 -13.283 4.360 1.00 0.00 C ATOM 303 C GLY A 24 -6.468 -11.780 4.559 1.00 0.00 C ATOM 304 O GLY A 24 -7.530 -11.158 4.540 1.00 0.00 O ATOM 0 H GLY A 24 -6.906 -13.159 2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.904 -13.767 5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.413 -13.626 4.312 1.00 0.00 H new ATOM 308 N THR A 25 -5.291 -11.194 4.753 1.00 0.00 N ATOM 309 CA THR A 25 -5.177 -9.756 4.960 1.00 0.00 C ATOM 310 C THR A 25 -3.850 -9.227 4.428 1.00 0.00 C ATOM 311 O THR A 25 -2.800 -9.829 4.645 1.00 0.00 O ATOM 312 CB THR A 25 -5.302 -9.391 6.451 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.490 -9.973 7.000 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.337 -7.882 6.638 1.00 0.00 C ATOM 0 H THR A 25 -4.402 -11.694 4.771 1.00 0.00 H new ATOM 0 HA THR A 25 -5.996 -9.292 4.410 1.00 0.00 H new ATOM 0 HB THR A 25 -4.430 -9.785 6.973 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.561 -9.738 7.949 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.426 -7.649 7.699 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.418 -7.445 6.246 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.192 -7.469 6.103 1.00 0.00 H new ATOM 322 N ALA A 26 -3.906 -8.096 3.732 1.00 0.00 N ATOM 323 CA ALA A 26 -2.707 -7.485 3.171 1.00 0.00 C ATOM 324 C ALA A 26 -2.457 -6.109 3.780 1.00 0.00 C ATOM 325 O ALA A 26 -3.221 -5.170 3.553 1.00 0.00 O ATOM 326 CB ALA A 26 -2.826 -7.381 1.658 1.00 0.00 C ATOM 0 H ALA A 26 -4.768 -7.585 3.543 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.856 -8.122 3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.924 -6.923 1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.949 -8.377 1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.690 -6.768 1.402 1.00 0.00 H new ATOM 332 N LEU A 27 -1.384 -5.997 4.555 1.00 0.00 N ATOM 333 CA LEU A 27 -1.034 -4.735 5.198 1.00 0.00 C ATOM 334 C LEU A 27 0.188 -4.107 4.534 1.00 0.00 C ATOM 335 O LEU A 27 1.287 -4.659 4.583 1.00 0.00 O ATOM 336 CB LEU A 27 -0.762 -4.956 6.687 1.00 0.00 C ATOM 337 CG LEU A 27 -1.992 -5.008 7.593 1.00 0.00 C ATOM 338 CD1 LEU A 27 -2.736 -3.682 7.560 1.00 0.00 C ATOM 339 CD2 LEU A 27 -2.912 -6.148 7.180 1.00 0.00 C ATOM 0 H LEU A 27 -0.742 -6.764 4.753 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.877 -4.053 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.212 -5.890 6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.110 -4.157 7.039 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.659 -5.189 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.609 -3.738 8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.076 -2.886 7.905 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.057 -3.470 6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.782 -6.169 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.237 -5.998 6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.376 -7.094 7.257 1.00 0.00 H new ATOM 351 N LEU A 28 -0.012 -2.948 3.916 1.00 0.00 N ATOM 352 CA LEU A 28 1.074 -2.242 3.244 1.00 0.00 C ATOM 353 C LEU A 28 1.650 -1.150 4.140 1.00 0.00 C ATOM 354 O LEU A 28 0.966 -0.182 4.475 1.00 0.00 O ATOM 355 CB LEU A 28 0.577 -1.633 1.932 1.00 0.00 C ATOM 356 CG LEU A 28 0.254 -2.622 0.812 1.00 0.00 C ATOM 357 CD1 LEU A 28 1.527 -3.270 0.289 1.00 0.00 C ATOM 358 CD2 LEU A 28 -0.723 -3.681 1.302 1.00 0.00 C ATOM 0 H LEU A 28 -0.916 -2.477 3.866 1.00 0.00 H new ATOM 0 HA LEU A 28 1.864 -2.961 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.319 -1.048 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.333 -0.938 1.568 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.214 -2.075 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.278 -3.971 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.194 -2.500 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.023 -3.804 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.942 -4.377 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.282 -4.224 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.646 -3.202 1.628 1.00 0.00 H new ATOM 370 N LYS A 29 2.912 -1.310 4.522 1.00 0.00 N ATOM 371 CA LYS A 29 3.583 -0.337 5.375 1.00 0.00 C ATOM 372 C LYS A 29 4.180 0.795 4.545 1.00 0.00 C ATOM 373 O LYS A 29 4.952 0.557 3.616 1.00 0.00 O ATOM 374 CB LYS A 29 4.682 -1.017 6.194 1.00 0.00 C ATOM 375 CG LYS A 29 4.152 -1.868 7.335 1.00 0.00 C ATOM 376 CD LYS A 29 3.578 -3.182 6.831 1.00 0.00 C ATOM 377 CE LYS A 29 3.090 -4.054 7.978 1.00 0.00 C ATOM 378 NZ LYS A 29 4.166 -4.946 8.492 1.00 0.00 N ATOM 0 H LYS A 29 3.491 -2.105 4.254 1.00 0.00 H new ATOM 0 HA LYS A 29 2.842 0.085 6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.281 -1.643 5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.346 -0.254 6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.955 -2.069 8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.382 -1.316 7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.752 -2.981 6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.338 -3.718 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.726 -3.420 8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.247 -4.658 7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.794 -5.524 9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.496 -5.568 7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.960 -4.369 8.836 1.00 0.00 H new ATOM 392 N CYS A 30 3.819 2.028 4.887 1.00 0.00 N ATOM 393 CA CYS A 30 4.320 3.197 4.174 1.00 0.00 C ATOM 394 C CYS A 30 4.488 4.381 5.122 1.00 0.00 C ATOM 395 O CYS A 30 3.709 4.556 6.059 1.00 0.00 O ATOM 396 CB CYS A 30 3.368 3.572 3.036 1.00 0.00 C ATOM 397 SG CYS A 30 4.122 4.623 1.753 1.00 0.00 S ATOM 0 H CYS A 30 3.181 2.243 5.654 1.00 0.00 H new ATOM 0 HA CYS A 30 5.295 2.947 3.756 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.997 2.659 2.571 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.505 4.090 3.454 1.00 0.00 H new ATOM 402 N LYS A 31 5.511 5.191 4.872 1.00 0.00 N ATOM 403 CA LYS A 31 5.782 6.360 5.700 1.00 0.00 C ATOM 404 C LYS A 31 6.635 7.375 4.946 1.00 0.00 C ATOM 405 O LYS A 31 7.719 7.051 4.462 1.00 0.00 O ATOM 406 CB LYS A 31 6.490 5.942 6.992 1.00 0.00 C ATOM 407 CG LYS A 31 6.773 7.100 7.932 1.00 0.00 C ATOM 408 CD LYS A 31 7.099 6.613 9.334 1.00 0.00 C ATOM 409 CE LYS A 31 8.501 6.028 9.409 1.00 0.00 C ATOM 410 NZ LYS A 31 8.509 4.568 9.113 1.00 0.00 N ATOM 0 H LYS A 31 6.167 5.059 4.102 1.00 0.00 H new ATOM 0 HA LYS A 31 4.829 6.827 5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.876 5.206 7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.430 5.452 6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.607 7.687 7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.907 7.761 7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.011 7.441 10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.372 5.859 9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.149 6.546 8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.913 6.199 10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.802 4.043 9.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.555 4.266 8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.176 4.374 8.339 1.00 0.00 H new ATOM 424 N ALA A 32 6.139 8.604 4.852 1.00 0.00 N ATOM 425 CA ALA A 32 6.858 9.667 4.161 1.00 0.00 C ATOM 426 C ALA A 32 7.085 10.863 5.079 1.00 0.00 C ATOM 427 O ALA A 32 6.173 11.304 5.779 1.00 0.00 O ATOM 428 CB ALA A 32 6.098 10.093 2.914 1.00 0.00 C ATOM 0 H ALA A 32 5.242 8.888 5.246 1.00 0.00 H new ATOM 0 HA ALA A 32 7.833 9.280 3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.646 10.887 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.992 9.240 2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.110 10.457 3.197 1.00 0.00 H new ATOM 434 N THR A 33 8.308 11.386 5.071 1.00 0.00 N ATOM 435 CA THR A 33 8.655 12.530 5.904 1.00 0.00 C ATOM 436 C THR A 33 8.851 13.784 5.061 1.00 0.00 C ATOM 437 O THR A 33 9.244 13.707 3.898 1.00 0.00 O ATOM 438 CB THR A 33 9.937 12.265 6.716 1.00 0.00 C ATOM 439 OG1 THR A 33 10.134 13.309 7.676 1.00 0.00 O ATOM 440 CG2 THR A 33 11.149 12.177 5.800 1.00 0.00 C ATOM 0 H THR A 33 9.074 11.035 4.496 1.00 0.00 H new ATOM 0 HA THR A 33 7.824 12.684 6.592 1.00 0.00 H new ATOM 0 HB THR A 33 9.822 11.313 7.234 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.950 13.132 8.189 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.042 11.989 6.396 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.009 11.363 5.089 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.265 13.116 5.258 1.00 0.00 H new ATOM 448 N GLY A 34 8.575 14.941 5.656 1.00 0.00 N ATOM 449 CA GLY A 34 8.728 16.196 4.944 1.00 0.00 C ATOM 450 C GLY A 34 7.891 17.309 5.544 1.00 0.00 C ATOM 451 O GLY A 34 7.324 17.154 6.625 1.00 0.00 O ATOM 0 H GLY A 34 8.248 15.031 6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.778 16.490 4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.445 16.055 3.901 1.00 0.00 H new ATOM 455 N ASP A 35 7.814 18.434 4.841 1.00 0.00 N ATOM 456 CA ASP A 35 7.040 19.577 5.311 1.00 0.00 C ATOM 457 C ASP A 35 6.632 20.472 4.145 1.00 0.00 C ATOM 458 O ASP A 35 7.465 20.943 3.371 1.00 0.00 O ATOM 459 CB ASP A 35 7.848 20.382 6.330 1.00 0.00 C ATOM 460 CG ASP A 35 6.964 21.170 7.276 1.00 0.00 C ATOM 461 OD1 ASP A 35 6.020 20.577 7.840 1.00 0.00 O ATOM 462 OD2 ASP A 35 7.216 22.380 7.454 1.00 0.00 O ATOM 0 H ASP A 35 8.278 18.579 3.944 1.00 0.00 H new ATOM 0 HA ASP A 35 6.136 19.201 5.791 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.479 19.705 6.906 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.513 21.067 5.803 1.00 0.00 H new ATOM 467 N PRO A 36 5.318 20.713 4.015 1.00 0.00 N ATOM 468 CA PRO A 36 4.318 20.157 4.931 1.00 0.00 C ATOM 469 C PRO A 36 4.157 18.649 4.768 1.00 0.00 C ATOM 470 O PRO A 36 4.522 18.083 3.737 1.00 0.00 O ATOM 471 CB PRO A 36 3.029 20.878 4.528 1.00 0.00 C ATOM 472 CG PRO A 36 3.239 21.262 3.104 1.00 0.00 C ATOM 473 CD PRO A 36 4.709 21.545 2.964 1.00 0.00 C ATOM 0 HA PRO A 36 4.596 20.302 5.975 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.161 20.228 4.639 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.854 21.754 5.152 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.931 20.460 2.434 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.646 22.139 2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.078 21.276 1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.930 22.602 3.110 1.00 0.00 H new ATOM 481 N LEU A 37 3.610 18.003 5.792 1.00 0.00 N ATOM 482 CA LEU A 37 3.401 16.560 5.763 1.00 0.00 C ATOM 483 C LEU A 37 2.742 16.132 4.455 1.00 0.00 C ATOM 484 O LEU A 37 1.652 16.584 4.104 1.00 0.00 O ATOM 485 CB LEU A 37 2.538 16.126 6.948 1.00 0.00 C ATOM 486 CG LEU A 37 2.758 14.699 7.453 1.00 0.00 C ATOM 487 CD1 LEU A 37 2.306 13.688 6.410 1.00 0.00 C ATOM 488 CD2 LEU A 37 4.221 14.480 7.810 1.00 0.00 C ATOM 0 H LEU A 37 3.303 18.456 6.653 1.00 0.00 H new ATOM 0 HA LEU A 37 4.374 16.075 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.718 16.814 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.490 16.233 6.667 1.00 0.00 H new ATOM 0 HG LEU A 37 2.159 14.556 8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.470 12.678 6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.246 13.830 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.878 13.831 5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.359 13.460 8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.839 14.642 6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.514 15.181 8.592 1.00 0.00 H new ATOM 500 N PRO A 38 3.417 15.237 3.718 1.00 0.00 N ATOM 501 CA PRO A 38 2.914 14.726 2.439 1.00 0.00 C ATOM 502 C PRO A 38 1.704 13.815 2.614 1.00 0.00 C ATOM 503 O PRO A 38 1.649 13.010 3.543 1.00 0.00 O ATOM 504 CB PRO A 38 4.101 13.936 1.882 1.00 0.00 C ATOM 505 CG PRO A 38 4.889 13.539 3.083 1.00 0.00 C ATOM 506 CD PRO A 38 4.721 14.655 4.076 1.00 0.00 C ATOM 0 HA PRO A 38 2.573 15.529 1.785 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.767 13.063 1.321 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.697 14.544 1.201 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.528 12.595 3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.940 13.396 2.831 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.728 14.285 5.101 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.524 15.388 3.996 1.00 0.00 H new ATOM 514 N VAL A 39 0.734 13.949 1.715 1.00 0.00 N ATOM 515 CA VAL A 39 -0.476 13.137 1.769 1.00 0.00 C ATOM 516 C VAL A 39 -0.244 11.763 1.151 1.00 0.00 C ATOM 517 O VAL A 39 -0.061 11.639 -0.060 1.00 0.00 O ATOM 518 CB VAL A 39 -1.646 13.824 1.041 1.00 0.00 C ATOM 519 CG1 VAL A 39 -2.886 12.943 1.072 1.00 0.00 C ATOM 520 CG2 VAL A 39 -1.933 15.184 1.660 1.00 0.00 C ATOM 0 H VAL A 39 0.763 14.612 0.941 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.732 13.020 2.822 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.364 13.976 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.702 13.445 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.671 11.995 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.174 12.757 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.763 15.656 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.195 15.058 2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.047 15.814 1.580 1.00 0.00 H new ATOM 530 N ILE A 40 -0.252 10.733 1.991 1.00 0.00 N ATOM 531 CA ILE A 40 -0.044 9.367 1.526 1.00 0.00 C ATOM 532 C ILE A 40 -1.183 8.916 0.618 1.00 0.00 C ATOM 533 O ILE A 40 -2.337 9.297 0.815 1.00 0.00 O ATOM 534 CB ILE A 40 0.077 8.384 2.706 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.181 8.836 3.663 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.353 6.977 2.196 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.574 8.698 3.088 1.00 0.00 C ATOM 0 H ILE A 40 -0.400 10.819 2.997 1.00 0.00 H new ATOM 0 HA ILE A 40 0.889 9.363 0.963 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.867 8.374 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.011 9.878 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.116 8.252 4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.436 6.293 3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.464 6.657 1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.285 6.971 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.306 9.037 3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.764 7.653 2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.657 9.304 2.186 1.00 0.00 H new ATOM 549 N SER A 41 -0.851 8.100 -0.378 1.00 0.00 N ATOM 550 CA SER A 41 -1.845 7.598 -1.319 1.00 0.00 C ATOM 551 C SER A 41 -1.399 6.269 -1.922 1.00 0.00 C ATOM 552 O SER A 41 -0.215 5.934 -1.905 1.00 0.00 O ATOM 553 CB SER A 41 -2.088 8.620 -2.430 1.00 0.00 C ATOM 554 OG SER A 41 -3.078 9.560 -2.051 1.00 0.00 O ATOM 0 H SER A 41 0.099 7.773 -0.554 1.00 0.00 H new ATOM 0 HA SER A 41 -2.776 7.436 -0.775 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.158 9.140 -2.660 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.399 8.106 -3.339 1.00 0.00 H new ATOM 0 HG SER A 41 -3.061 9.679 -1.078 1.00 0.00 H new ATOM 560 N TRP A 42 -2.356 5.519 -2.455 1.00 0.00 N ATOM 561 CA TRP A 42 -2.064 4.226 -3.064 1.00 0.00 C ATOM 562 C TRP A 42 -2.718 4.111 -4.436 1.00 0.00 C ATOM 563 O TRP A 42 -3.924 4.315 -4.579 1.00 0.00 O ATOM 564 CB TRP A 42 -2.545 3.092 -2.159 1.00 0.00 C ATOM 565 CG TRP A 42 -1.822 3.031 -0.847 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.199 3.623 0.325 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.597 2.342 -0.575 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.282 3.343 1.309 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.290 2.559 0.783 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.270 1.562 -1.345 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.846 2.024 1.383 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.398 1.032 -0.747 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.677 1.264 0.606 1.00 0.00 C ATOM 0 H TRP A 42 -3.341 5.783 -2.478 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.984 4.147 -3.189 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.612 3.214 -1.972 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.419 2.143 -2.680 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.087 4.223 0.458 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.332 3.667 2.275 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.062 1.377 -2.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.064 2.203 2.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.076 0.429 -1.333 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.566 0.834 1.044 1.00 0.00 H new ATOM 584 N LEU A 43 -1.917 3.782 -5.443 1.00 0.00 N ATOM 585 CA LEU A 43 -2.419 3.638 -6.806 1.00 0.00 C ATOM 586 C LEU A 43 -2.229 2.211 -7.309 1.00 0.00 C ATOM 587 O LEU A 43 -1.102 1.734 -7.446 1.00 0.00 O ATOM 588 CB LEU A 43 -1.707 4.619 -7.739 1.00 0.00 C ATOM 589 CG LEU A 43 -1.971 6.103 -7.481 1.00 0.00 C ATOM 590 CD1 LEU A 43 -0.975 6.963 -8.243 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.397 6.466 -7.868 1.00 0.00 C ATOM 0 H LEU A 43 -0.917 3.610 -5.342 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.486 3.862 -6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.634 4.444 -7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.999 4.391 -8.764 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.845 6.295 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.179 8.016 -8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.037 6.722 -7.918 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.069 6.768 -9.311 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.567 7.526 -7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.551 6.258 -8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.096 5.874 -7.277 1.00 0.00 H new ATOM 603 N LYS A 44 -3.338 1.534 -7.584 1.00 0.00 N ATOM 604 CA LYS A 44 -3.295 0.162 -8.076 1.00 0.00 C ATOM 605 C LYS A 44 -3.174 0.132 -9.596 1.00 0.00 C ATOM 606 O LYS A 44 -4.149 0.368 -10.310 1.00 0.00 O ATOM 607 CB LYS A 44 -4.550 -0.598 -7.639 1.00 0.00 C ATOM 608 CG LYS A 44 -4.408 -2.108 -7.727 1.00 0.00 C ATOM 609 CD LYS A 44 -5.603 -2.817 -7.112 1.00 0.00 C ATOM 610 CE LYS A 44 -5.447 -4.328 -7.174 1.00 0.00 C ATOM 611 NZ LYS A 44 -6.231 -5.011 -6.108 1.00 0.00 N ATOM 0 H LYS A 44 -4.279 1.913 -7.475 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.417 -0.323 -7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.792 -0.323 -6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.389 -0.284 -8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.305 -2.405 -8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.497 -2.419 -7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.718 -2.504 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.512 -2.522 -7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.772 -4.687 -8.150 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.393 -4.589 -7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.616 -5.675 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.605 -4.303 -5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.021 -5.533 -6.538 1.00 0.00 H new ATOM 625 N GLU A 45 -1.973 -0.161 -10.084 1.00 0.00 N ATOM 626 CA GLU A 45 -1.727 -0.221 -11.520 1.00 0.00 C ATOM 627 C GLU A 45 -2.135 1.083 -12.198 1.00 0.00 C ATOM 628 O GLU A 45 -2.701 1.077 -13.290 1.00 0.00 O ATOM 629 CB GLU A 45 -2.490 -1.393 -12.142 1.00 0.00 C ATOM 630 CG GLU A 45 -1.838 -2.743 -11.897 1.00 0.00 C ATOM 631 CD GLU A 45 -0.802 -3.090 -12.949 1.00 0.00 C ATOM 632 OE1 GLU A 45 0.373 -2.707 -12.772 1.00 0.00 O ATOM 633 OE2 GLU A 45 -1.166 -3.744 -13.948 1.00 0.00 O ATOM 0 H GLU A 45 -1.156 -0.360 -9.507 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.658 -0.370 -11.673 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.503 -1.410 -11.740 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.576 -1.230 -13.216 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.366 -2.741 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.606 -3.516 -11.880 1.00 0.00 H new ATOM 640 N GLY A 46 -1.844 2.202 -11.541 1.00 0.00 N ATOM 641 CA GLY A 46 -2.188 3.499 -12.094 1.00 0.00 C ATOM 642 C GLY A 46 -3.668 3.804 -11.978 1.00 0.00 C ATOM 643 O GLY A 46 -4.299 4.229 -12.946 1.00 0.00 O ATOM 0 H GLY A 46 -1.376 2.233 -10.635 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.619 4.273 -11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.894 3.533 -13.143 1.00 0.00 H new ATOM 647 N PHE A 47 -4.225 3.584 -10.791 1.00 0.00 N ATOM 648 CA PHE A 47 -5.642 3.836 -10.553 1.00 0.00 C ATOM 649 C PHE A 47 -5.913 4.052 -9.068 1.00 0.00 C ATOM 650 O PHE A 47 -5.207 3.520 -8.211 1.00 0.00 O ATOM 651 CB PHE A 47 -6.483 2.669 -11.073 1.00 0.00 C ATOM 652 CG PHE A 47 -6.704 2.703 -12.558 1.00 0.00 C ATOM 653 CD1 PHE A 47 -7.643 3.558 -13.113 1.00 0.00 C ATOM 654 CD2 PHE A 47 -5.973 1.880 -13.400 1.00 0.00 C ATOM 655 CE1 PHE A 47 -7.848 3.592 -14.479 1.00 0.00 C ATOM 656 CE2 PHE A 47 -6.174 1.910 -14.767 1.00 0.00 C ATOM 657 CZ PHE A 47 -7.113 2.767 -15.307 1.00 0.00 C ATOM 0 H PHE A 47 -3.717 3.232 -9.980 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.920 4.743 -11.090 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.993 1.732 -10.808 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.450 2.676 -10.570 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.221 4.205 -12.470 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.238 1.208 -12.983 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.583 4.263 -14.899 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.597 1.264 -15.412 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.272 2.792 -16.375 1.00 0.00 H new ATOM 667 N THR A 48 -6.943 4.838 -8.769 1.00 0.00 N ATOM 668 CA THR A 48 -7.308 5.127 -7.388 1.00 0.00 C ATOM 669 C THR A 48 -7.306 3.859 -6.541 1.00 0.00 C ATOM 670 O THR A 48 -7.732 2.797 -6.995 1.00 0.00 O ATOM 671 CB THR A 48 -8.698 5.786 -7.300 1.00 0.00 C ATOM 672 OG1 THR A 48 -8.989 6.138 -5.943 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.775 4.850 -7.828 1.00 0.00 C ATOM 0 H THR A 48 -7.539 5.286 -9.465 1.00 0.00 H new ATOM 0 HA THR A 48 -6.560 5.820 -7.003 1.00 0.00 H new ATOM 0 HB THR A 48 -8.688 6.686 -7.914 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.873 6.558 -5.896 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.748 5.337 -7.756 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.567 4.607 -8.870 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.783 3.934 -7.237 1.00 0.00 H new ATOM 681 N PHE A 49 -6.824 3.977 -5.309 1.00 0.00 N ATOM 682 CA PHE A 49 -6.765 2.839 -4.398 1.00 0.00 C ATOM 683 C PHE A 49 -6.413 3.292 -2.984 1.00 0.00 C ATOM 684 O PHE A 49 -5.548 4.142 -2.774 1.00 0.00 O ATOM 685 CB PHE A 49 -5.737 1.818 -4.890 1.00 0.00 C ATOM 686 CG PHE A 49 -5.864 0.475 -4.230 1.00 0.00 C ATOM 687 CD1 PHE A 49 -6.861 -0.408 -4.611 1.00 0.00 C ATOM 688 CD2 PHE A 49 -4.985 0.095 -3.227 1.00 0.00 C ATOM 689 CE1 PHE A 49 -6.980 -1.645 -4.006 1.00 0.00 C ATOM 690 CE2 PHE A 49 -5.099 -1.140 -2.619 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.098 -2.011 -3.008 1.00 0.00 C ATOM 0 H PHE A 49 -6.468 4.849 -4.918 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.749 2.371 -4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.845 1.696 -5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.735 2.208 -4.712 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -7.554 -0.126 -5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.203 0.772 -2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.761 -2.324 -4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.407 -1.424 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.189 -2.976 -2.533 1.00 0.00 H new ATOM 701 N PRO A 50 -7.101 2.711 -1.990 1.00 0.00 N ATOM 702 CA PRO A 50 -8.134 1.698 -2.227 1.00 0.00 C ATOM 703 C PRO A 50 -9.381 2.284 -2.879 1.00 0.00 C ATOM 704 O PRO A 50 -10.011 1.647 -3.722 1.00 0.00 O ATOM 705 CB PRO A 50 -8.456 1.183 -0.822 1.00 0.00 C ATOM 706 CG PRO A 50 -8.095 2.308 0.085 1.00 0.00 C ATOM 707 CD PRO A 50 -6.923 2.998 -0.556 1.00 0.00 C ATOM 0 HA PRO A 50 -7.794 0.921 -2.912 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.510 0.921 -0.728 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.883 0.286 -0.588 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.933 2.995 0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.836 1.941 1.078 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.929 4.070 -0.357 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.975 2.610 -0.183 1.00 0.00 H new ATOM 715 N GLY A 51 -9.733 3.504 -2.482 1.00 0.00 N ATOM 716 CA GLY A 51 -10.905 4.155 -3.038 1.00 0.00 C ATOM 717 C GLY A 51 -12.185 3.737 -2.344 1.00 0.00 C ATOM 718 O GLY A 51 -12.149 3.136 -1.270 1.00 0.00 O ATOM 0 H GLY A 51 -9.228 4.052 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.788 5.236 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.978 3.920 -4.100 1.00 0.00 H new ATOM 772 N ARG A 55 -13.982 -3.569 1.619 1.00 0.00 N ATOM 773 CA ARG A 55 -12.904 -4.525 1.842 1.00 0.00 C ATOM 774 C ARG A 55 -11.570 -3.808 2.021 1.00 0.00 C ATOM 775 O ARG A 55 -10.892 -3.981 3.034 1.00 0.00 O ATOM 776 CB ARG A 55 -12.815 -5.507 0.672 1.00 0.00 C ATOM 777 CG ARG A 55 -14.092 -6.298 0.443 1.00 0.00 C ATOM 778 CD ARG A 55 -13.827 -7.564 -0.358 1.00 0.00 C ATOM 779 NE ARG A 55 -13.371 -7.268 -1.714 1.00 0.00 N ATOM 780 CZ ARG A 55 -13.471 -8.123 -2.725 1.00 0.00 C ATOM 781 NH1 ARG A 55 -14.009 -9.320 -2.536 1.00 0.00 N ATOM 782 NH2 ARG A 55 -13.033 -7.781 -3.930 1.00 0.00 N ATOM 0 HA ARG A 55 -13.125 -5.077 2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.571 -4.956 -0.236 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.995 -6.202 0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.536 -6.560 1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.816 -5.677 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.076 -8.166 0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.738 -8.161 -0.404 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.953 -6.355 -1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.348 -9.587 -1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.084 -9.974 -3.315 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.619 -6.861 -4.080 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.110 -8.438 -4.706 1.00 0.00 H new ATOM 796 N ALA A 56 -11.198 -3.003 1.031 1.00 0.00 N ATOM 797 CA ALA A 56 -9.946 -2.259 1.080 1.00 0.00 C ATOM 798 C ALA A 56 -10.138 -0.906 1.756 1.00 0.00 C ATOM 799 O ALA A 56 -11.085 -0.178 1.457 1.00 0.00 O ATOM 800 CB ALA A 56 -9.386 -2.075 -0.323 1.00 0.00 C ATOM 0 H ALA A 56 -11.747 -2.850 0.185 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.233 -2.834 1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.451 -1.518 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.202 -3.051 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.103 -1.524 -0.932 1.00 0.00 H new ATOM 806 N THR A 57 -9.232 -0.573 2.671 1.00 0.00 N ATOM 807 CA THR A 57 -9.303 0.692 3.391 1.00 0.00 C ATOM 808 C THR A 57 -7.972 1.021 4.057 1.00 0.00 C ATOM 809 O THR A 57 -7.139 0.139 4.270 1.00 0.00 O ATOM 810 CB THR A 57 -10.408 0.667 4.464 1.00 0.00 C ATOM 811 OG1 THR A 57 -10.669 1.996 4.929 1.00 0.00 O ATOM 812 CG2 THR A 57 -10.006 -0.216 5.635 1.00 0.00 C ATOM 0 H THR A 57 -8.441 -1.162 2.930 1.00 0.00 H new ATOM 0 HA THR A 57 -9.538 1.461 2.655 1.00 0.00 H new ATOM 0 HB THR A 57 -11.312 0.256 4.014 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.374 1.972 5.610 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.802 -0.218 6.380 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.837 -1.233 5.282 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.090 0.169 6.084 1.00 0.00 H new ATOM 820 N ILE A 58 -7.777 2.294 4.385 1.00 0.00 N ATOM 821 CA ILE A 58 -6.547 2.737 5.029 1.00 0.00 C ATOM 822 C ILE A 58 -6.704 2.779 6.545 1.00 0.00 C ATOM 823 O ILE A 58 -7.751 3.174 7.059 1.00 0.00 O ATOM 824 CB ILE A 58 -6.121 4.130 4.529 1.00 0.00 C ATOM 825 CG1 ILE A 58 -6.032 4.143 3.002 1.00 0.00 C ATOM 826 CG2 ILE A 58 -4.789 4.529 5.146 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.672 5.496 2.429 1.00 0.00 C ATOM 0 H ILE A 58 -8.455 3.037 4.215 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.775 2.014 4.767 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.874 4.856 4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.288 3.413 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.989 3.825 2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.501 5.516 4.783 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.884 4.555 6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.026 3.803 4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.627 5.430 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.428 6.226 2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.701 5.808 2.814 1.00 0.00 H new ATOM 888 N GLY A 62 -1.820 5.547 5.704 1.00 0.00 N ATOM 889 CA GLY A 62 -0.600 4.944 5.201 1.00 0.00 C ATOM 890 C GLY A 62 -0.659 3.429 5.201 1.00 0.00 C ATOM 891 O GLY A 62 -0.462 2.793 4.165 1.00 0.00 O ATOM 0 HA2 GLY A 62 -0.415 5.297 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.242 5.272 5.811 1.00 0.00 H new ATOM 895 N THR A 63 -0.930 2.849 6.365 1.00 0.00 N ATOM 896 CA THR A 63 -1.012 1.399 6.496 1.00 0.00 C ATOM 897 C THR A 63 -2.271 0.857 5.829 1.00 0.00 C ATOM 898 O THR A 63 -3.309 0.701 6.473 1.00 0.00 O ATOM 899 CB THR A 63 -1.001 0.967 7.974 1.00 0.00 C ATOM 900 OG1 THR A 63 0.189 1.441 8.615 1.00 0.00 O ATOM 901 CG2 THR A 63 -1.079 -0.547 8.096 1.00 0.00 C ATOM 0 H THR A 63 -1.097 3.361 7.231 1.00 0.00 H new ATOM 0 HA THR A 63 -0.134 0.987 5.998 1.00 0.00 H new ATOM 0 HB THR A 63 -1.874 1.401 8.462 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.187 1.163 9.555 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.070 -0.828 9.149 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.000 -0.902 7.634 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.223 -0.997 7.593 1.00 0.00 H new ATOM 909 N LEU A 64 -2.173 0.572 4.535 1.00 0.00 N ATOM 910 CA LEU A 64 -3.305 0.046 3.780 1.00 0.00 C ATOM 911 C LEU A 64 -3.693 -1.343 4.278 1.00 0.00 C ATOM 912 O LEU A 64 -2.847 -2.101 4.752 1.00 0.00 O ATOM 913 CB LEU A 64 -2.967 -0.010 2.289 1.00 0.00 C ATOM 914 CG LEU A 64 -4.147 0.136 1.328 1.00 0.00 C ATOM 915 CD1 LEU A 64 -3.693 0.756 0.016 1.00 0.00 C ATOM 916 CD2 LEU A 64 -4.805 -1.214 1.083 1.00 0.00 C ATOM 0 H LEU A 64 -1.322 0.696 3.987 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.152 0.715 3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.246 0.778 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.473 -0.960 2.084 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.883 0.799 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.546 0.852 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.269 1.742 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.938 0.119 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.643 -1.091 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.078 -1.900 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.166 -1.619 2.028 1.00 0.00 H new ATOM 928 N GLN A 65 -4.976 -1.670 4.164 1.00 0.00 N ATOM 929 CA GLN A 65 -5.475 -2.968 4.601 1.00 0.00 C ATOM 930 C GLN A 65 -6.472 -3.535 3.595 1.00 0.00 C ATOM 931 O GLN A 65 -7.342 -2.820 3.099 1.00 0.00 O ATOM 932 CB GLN A 65 -6.133 -2.849 5.976 1.00 0.00 C ATOM 933 CG GLN A 65 -6.618 -4.176 6.536 1.00 0.00 C ATOM 934 CD GLN A 65 -7.208 -4.043 7.926 1.00 0.00 C ATOM 935 OE1 GLN A 65 -6.481 -3.954 8.916 1.00 0.00 O ATOM 936 NE2 GLN A 65 -8.534 -4.028 8.008 1.00 0.00 N ATOM 0 H GLN A 65 -5.689 -1.054 3.773 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.627 -3.650 4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.420 -2.409 6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.977 -2.163 5.907 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.368 -4.596 5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.786 -4.880 6.565 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.098 -4.104 7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.988 -3.940 8.917 1.00 0.00 H new ATOM 945 N ILE A 66 -6.337 -4.823 3.298 1.00 0.00 N ATOM 946 CA ILE A 66 -7.226 -5.486 2.352 1.00 0.00 C ATOM 947 C ILE A 66 -7.667 -6.849 2.873 1.00 0.00 C ATOM 948 O ILE A 66 -6.867 -7.780 2.964 1.00 0.00 O ATOM 949 CB ILE A 66 -6.552 -5.667 0.979 1.00 0.00 C ATOM 950 CG1 ILE A 66 -5.811 -4.390 0.577 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.586 -6.039 -0.074 1.00 0.00 C ATOM 952 CD1 ILE A 66 -4.738 -4.617 -0.464 1.00 0.00 C ATOM 0 H ILE A 66 -5.620 -5.428 3.699 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.100 -4.844 2.238 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.827 -6.478 1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.531 -3.667 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.358 -3.948 1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.094 -6.163 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.073 -6.972 0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.332 -5.248 -0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.255 -3.669 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.997 -5.315 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.188 -5.030 -1.367 1.00 0.00 H new ATOM 964 N LYS A 67 -8.946 -6.960 3.214 1.00 0.00 N ATOM 965 CA LYS A 67 -9.497 -8.211 3.724 1.00 0.00 C ATOM 966 C LYS A 67 -10.139 -9.020 2.603 1.00 0.00 C ATOM 967 O LYS A 67 -10.483 -8.478 1.552 1.00 0.00 O ATOM 968 CB LYS A 67 -10.528 -7.929 4.820 1.00 0.00 C ATOM 969 CG LYS A 67 -9.941 -7.255 6.048 1.00 0.00 C ATOM 970 CD LYS A 67 -10.720 -7.609 7.304 1.00 0.00 C ATOM 971 CE LYS A 67 -10.427 -6.637 8.435 1.00 0.00 C ATOM 972 NZ LYS A 67 -11.357 -6.823 9.583 1.00 0.00 N ATOM 0 H LYS A 67 -9.621 -6.199 3.147 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.678 -8.794 4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.317 -7.297 4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.994 -8.868 5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.900 -7.556 6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.946 -6.174 5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.788 -7.602 7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.465 -8.621 7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.400 -6.774 8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.507 -5.615 8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.124 -6.141 10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.335 -6.668 9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.263 -7.790 9.953 1.00 0.00 H new ATOM 986 N ASN A 68 -10.300 -10.319 2.833 1.00 0.00 N ATOM 987 CA ASN A 68 -10.903 -11.202 1.842 1.00 0.00 C ATOM 988 C ASN A 68 -10.137 -11.144 0.524 1.00 0.00 C ATOM 989 O ASN A 68 -10.733 -11.061 -0.551 1.00 0.00 O ATOM 990 CB ASN A 68 -12.367 -10.820 1.610 1.00 0.00 C ATOM 991 CG ASN A 68 -13.221 -11.028 2.846 1.00 0.00 C ATOM 992 OD1 ASN A 68 -14.150 -11.836 2.843 1.00 0.00 O ATOM 993 ND2 ASN A 68 -12.909 -10.298 3.911 1.00 0.00 N ATOM 0 H ASN A 68 -10.021 -10.783 3.697 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.857 -12.221 2.225 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.423 -9.775 1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.769 -11.414 0.789 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.448 -10.395 4.772 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.130 -9.640 3.868 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.812 -11.189 0.614 1.00 0.00 N ATOM 1001 CA LEU A 69 -7.962 -11.143 -0.571 1.00 0.00 C ATOM 1002 C LEU A 69 -8.448 -12.129 -1.628 1.00 0.00 C ATOM 1003 O LEU A 69 -9.212 -13.047 -1.330 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.512 -11.454 -0.195 1.00 0.00 C ATOM 1005 CG LEU A 69 -5.884 -10.545 0.862 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.674 -11.218 1.492 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.494 -9.207 0.252 1.00 0.00 C ATOM 0 H LEU A 69 -8.303 -11.257 1.495 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.015 -10.137 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.463 -12.482 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.904 -11.402 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.622 -10.364 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.239 -10.557 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.982 -12.151 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.933 -11.429 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.049 -8.573 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.772 -9.369 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.381 -8.719 -0.152 1.00 0.00 H new ATOM 1019 N ARG A 70 -7.998 -11.934 -2.863 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.387 -12.806 -3.965 1.00 0.00 C ATOM 1021 C ARG A 70 -7.356 -12.755 -5.089 1.00 0.00 C ATOM 1022 O ARG A 70 -6.779 -11.703 -5.367 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.762 -12.405 -4.501 1.00 0.00 C ATOM 1024 CG ARG A 70 -9.863 -10.937 -4.881 1.00 0.00 C ATOM 1025 CD ARG A 70 -11.266 -10.576 -5.344 1.00 0.00 C ATOM 1026 NE ARG A 70 -11.683 -11.371 -6.496 1.00 0.00 N ATOM 1027 CZ ARG A 70 -12.623 -10.987 -7.352 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -13.240 -9.825 -7.187 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -12.948 -11.766 -8.376 1.00 0.00 N ATOM 0 H ARG A 70 -7.364 -11.180 -3.126 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.436 -13.827 -3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.994 -13.014 -5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.516 -12.629 -3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.591 -10.319 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.149 -10.715 -5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.969 -10.728 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.302 -9.518 -5.602 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.227 -12.270 -6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.993 -9.224 -6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.962 -9.533 -7.846 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.476 -12.661 -8.506 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.670 -11.470 -9.033 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.129 -13.896 -5.730 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.169 -13.981 -6.823 1.00 0.00 C ATOM 1045 C ILE A 71 -6.153 -12.694 -7.641 1.00 0.00 C ATOM 1046 O ILE A 71 -5.106 -12.270 -8.130 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.480 -15.166 -7.756 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.541 -16.469 -6.957 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.435 -15.261 -8.857 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -5.269 -16.773 -6.197 1.00 0.00 C ATOM 0 H ILE A 71 -7.597 -14.775 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.189 -14.134 -6.371 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.453 -15.000 -8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.371 -16.415 -6.253 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.754 -17.293 -7.638 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.668 -16.103 -9.508 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.436 -14.340 -9.440 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.451 -15.408 -8.413 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.385 -17.711 -5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.438 -16.860 -6.898 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.066 -15.968 -5.491 1.00 0.00 H new ATOM 1062 N SER A 72 -7.321 -12.076 -7.785 1.00 0.00 N ATOM 1063 CA SER A 72 -7.443 -10.838 -8.545 1.00 0.00 C ATOM 1064 C SER A 72 -6.600 -9.731 -7.920 1.00 0.00 C ATOM 1065 O SER A 72 -5.817 -9.070 -8.603 1.00 0.00 O ATOM 1066 CB SER A 72 -8.907 -10.401 -8.618 1.00 0.00 C ATOM 1067 OG SER A 72 -9.045 -9.201 -9.358 1.00 0.00 O ATOM 0 H SER A 72 -8.197 -12.413 -7.385 1.00 0.00 H new ATOM 0 HA SER A 72 -7.076 -11.023 -9.555 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.502 -11.188 -9.081 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.298 -10.258 -7.611 1.00 0.00 H new ATOM 0 HG SER A 72 -9.990 -8.944 -9.391 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.766 -9.535 -6.617 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.021 -8.508 -5.897 1.00 0.00 C ATOM 1075 C ASP A 73 -4.588 -8.415 -6.413 1.00 0.00 C ATOM 1076 O ASP A 73 -4.056 -7.321 -6.606 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.017 -8.808 -4.397 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.280 -8.329 -3.708 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -7.690 -7.176 -3.956 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -7.858 -9.108 -2.922 1.00 0.00 O ATOM 0 H ASP A 73 -7.410 -10.073 -6.037 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.513 -7.550 -6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.908 -9.882 -4.244 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.152 -8.331 -3.936 1.00 0.00 H new ATOM 1085 N THR A 74 -3.967 -9.570 -6.634 1.00 0.00 N ATOM 1086 CA THR A 74 -2.596 -9.618 -7.125 1.00 0.00 C ATOM 1087 C THR A 74 -2.319 -8.477 -8.098 1.00 0.00 C ATOM 1088 O THR A 74 -2.635 -8.569 -9.283 1.00 0.00 O ATOM 1089 CB THR A 74 -2.297 -10.958 -7.825 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.476 -12.041 -6.906 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.878 -10.978 -8.371 1.00 0.00 C ATOM 0 H THR A 74 -4.392 -10.484 -6.481 1.00 0.00 H new ATOM 0 HA THR A 74 -1.946 -9.516 -6.256 1.00 0.00 H new ATOM 0 HB THR A 74 -2.991 -11.071 -8.658 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.368 -12.429 -7.027 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.690 -11.934 -8.861 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.754 -10.170 -9.092 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.171 -10.845 -7.552 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.726 -7.402 -7.588 1.00 0.00 N ATOM 1100 CA GLY A 75 -1.416 -6.259 -8.426 1.00 0.00 C ATOM 1101 C GLY A 75 -0.236 -5.462 -7.906 1.00 0.00 C ATOM 1102 O GLY A 75 0.314 -5.770 -6.848 1.00 0.00 O ATOM 0 H GLY A 75 -1.455 -7.302 -6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.201 -6.602 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.290 -5.610 -8.488 1.00 0.00 H new ATOM 1106 N THR A 76 0.157 -4.434 -8.652 1.00 0.00 N ATOM 1107 CA THR A 76 1.281 -3.592 -8.263 1.00 0.00 C ATOM 1108 C THR A 76 0.802 -2.310 -7.592 1.00 0.00 C ATOM 1109 O THR A 76 0.126 -1.489 -8.212 1.00 0.00 O ATOM 1110 CB THR A 76 2.156 -3.227 -9.477 1.00 0.00 C ATOM 1111 OG1 THR A 76 2.740 -4.410 -10.033 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.254 -2.252 -9.078 1.00 0.00 C ATOM 0 H THR A 76 -0.287 -4.165 -9.530 1.00 0.00 H new ATOM 0 HA THR A 76 1.877 -4.168 -7.555 1.00 0.00 H new ATOM 0 HB THR A 76 1.522 -2.750 -10.224 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.293 -4.170 -10.805 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.859 -2.009 -9.951 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.805 -1.341 -8.682 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.885 -2.707 -8.315 1.00 0.00 H new ATOM 1120 N TYR A 77 1.156 -2.144 -6.322 1.00 0.00 N ATOM 1121 CA TYR A 77 0.760 -0.962 -5.567 1.00 0.00 C ATOM 1122 C TYR A 77 1.833 0.119 -5.645 1.00 0.00 C ATOM 1123 O TYR A 77 3.017 -0.175 -5.814 1.00 0.00 O ATOM 1124 CB TYR A 77 0.496 -1.330 -4.106 1.00 0.00 C ATOM 1125 CG TYR A 77 -0.661 -2.286 -3.921 1.00 0.00 C ATOM 1126 CD1 TYR A 77 -1.960 -1.905 -4.235 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.455 -3.570 -3.433 1.00 0.00 C ATOM 1128 CE1 TYR A 77 -3.020 -2.775 -4.068 1.00 0.00 C ATOM 1129 CE2 TYR A 77 -1.509 -4.448 -3.264 1.00 0.00 C ATOM 1130 CZ TYR A 77 -2.789 -4.045 -3.583 1.00 0.00 C ATOM 1131 OH TYR A 77 -3.842 -4.916 -3.414 1.00 0.00 O ATOM 0 H TYR A 77 1.716 -2.813 -5.794 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.157 -0.570 -6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.396 -1.777 -3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.298 -0.419 -3.541 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.144 -0.911 -4.616 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.546 -3.888 -3.181 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.024 -2.462 -4.316 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.331 -5.443 -2.885 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.508 -5.769 -3.065 1.00 0.00 H new ATOM 1141 N THR A 78 1.411 1.374 -5.519 1.00 0.00 N ATOM 1142 CA THR A 78 2.334 2.500 -5.575 1.00 0.00 C ATOM 1143 C THR A 78 1.997 3.541 -4.514 1.00 0.00 C ATOM 1144 O THR A 78 0.973 4.220 -4.598 1.00 0.00 O ATOM 1145 CB THR A 78 2.316 3.172 -6.961 1.00 0.00 C ATOM 1146 OG1 THR A 78 2.697 2.229 -7.968 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.257 4.367 -6.995 1.00 0.00 C ATOM 0 H THR A 78 0.435 1.635 -5.377 1.00 0.00 H new ATOM 0 HA THR A 78 3.331 2.101 -5.385 1.00 0.00 H new ATOM 0 HB THR A 78 1.303 3.522 -7.158 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.681 2.664 -8.846 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.227 4.825 -7.984 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.946 5.097 -6.247 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.273 4.036 -6.779 1.00 0.00 H new ATOM 1155 N CYS A 79 2.865 3.662 -3.514 1.00 0.00 N ATOM 1156 CA CYS A 79 2.660 4.620 -2.435 1.00 0.00 C ATOM 1157 C CYS A 79 3.183 6.000 -2.826 1.00 0.00 C ATOM 1158 O CYS A 79 4.386 6.256 -2.779 1.00 0.00 O ATOM 1159 CB CYS A 79 3.357 4.141 -1.160 1.00 0.00 C ATOM 1160 SG CYS A 79 2.633 4.801 0.376 1.00 0.00 S ATOM 0 H CYS A 79 3.717 3.108 -3.429 1.00 0.00 H new ATOM 0 HA CYS A 79 1.589 4.696 -2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.322 3.052 -1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.408 4.425 -1.205 1.00 0.00 H new ATOM 1165 N VAL A 80 2.269 6.885 -3.212 1.00 0.00 N ATOM 1166 CA VAL A 80 2.637 8.239 -3.610 1.00 0.00 C ATOM 1167 C VAL A 80 2.378 9.232 -2.483 1.00 0.00 C ATOM 1168 O VAL A 80 1.322 9.209 -1.852 1.00 0.00 O ATOM 1169 CB VAL A 80 1.860 8.686 -4.862 1.00 0.00 C ATOM 1170 CG1 VAL A 80 2.323 10.063 -5.314 1.00 0.00 C ATOM 1171 CG2 VAL A 80 2.020 7.667 -5.980 1.00 0.00 C ATOM 0 H VAL A 80 1.269 6.689 -3.258 1.00 0.00 H new ATOM 0 HA VAL A 80 3.703 8.224 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 80 0.802 8.750 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.763 10.363 -6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.152 10.785 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.386 10.030 -5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.464 7.999 -6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.075 7.569 -6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.635 6.702 -5.650 1.00 0.00 H new ATOM 1181 N ALA A 81 3.350 10.105 -2.236 1.00 0.00 N ATOM 1182 CA ALA A 81 3.226 11.109 -1.186 1.00 0.00 C ATOM 1183 C ALA A 81 3.464 12.511 -1.737 1.00 0.00 C ATOM 1184 O ALA A 81 4.606 12.958 -1.854 1.00 0.00 O ATOM 1185 CB ALA A 81 4.199 10.812 -0.055 1.00 0.00 C ATOM 0 H ALA A 81 4.231 10.137 -2.749 1.00 0.00 H new ATOM 0 HA ALA A 81 2.209 11.068 -0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.096 11.569 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.981 9.830 0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.219 10.824 -0.440 1.00 0.00 H new ATOM 1191 N THR A 82 2.380 13.201 -2.076 1.00 0.00 N ATOM 1192 CA THR A 82 2.471 14.551 -2.616 1.00 0.00 C ATOM 1193 C THR A 82 2.558 15.585 -1.499 1.00 0.00 C ATOM 1194 O THR A 82 2.122 15.338 -0.376 1.00 0.00 O ATOM 1195 CB THR A 82 1.262 14.881 -3.512 1.00 0.00 C ATOM 1196 OG1 THR A 82 1.009 13.796 -4.412 1.00 0.00 O ATOM 1197 CG2 THR A 82 1.507 16.157 -4.303 1.00 0.00 C ATOM 0 H THR A 82 1.428 12.846 -1.986 1.00 0.00 H new ATOM 0 HA THR A 82 3.380 14.590 -3.216 1.00 0.00 H new ATOM 0 HB THR A 82 0.393 15.031 -2.872 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.269 14.057 -5.320 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.640 16.370 -4.928 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.670 16.986 -3.615 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.387 16.031 -4.934 1.00 0.00 H new ATOM 1205 N SER A 83 3.125 16.745 -1.816 1.00 0.00 N ATOM 1206 CA SER A 83 3.273 17.817 -0.838 1.00 0.00 C ATOM 1207 C SER A 83 3.776 19.094 -1.504 1.00 0.00 C ATOM 1208 O SER A 83 4.514 19.046 -2.487 1.00 0.00 O ATOM 1209 CB SER A 83 4.236 17.393 0.272 1.00 0.00 C ATOM 1210 OG SER A 83 5.584 17.545 -0.137 1.00 0.00 O ATOM 0 H SER A 83 3.489 16.966 -2.743 1.00 0.00 H new ATOM 0 HA SER A 83 2.294 18.017 -0.403 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.054 17.992 1.164 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.050 16.354 0.542 1.00 0.00 H new ATOM 0 HG SER A 83 6.180 17.269 0.591 1.00 0.00 H new ATOM 1216 N SER A 84 3.370 20.237 -0.959 1.00 0.00 N ATOM 1217 CA SER A 84 3.775 21.528 -1.501 1.00 0.00 C ATOM 1218 C SER A 84 5.200 21.467 -2.044 1.00 0.00 C ATOM 1219 O SER A 84 5.484 21.970 -3.131 1.00 0.00 O ATOM 1220 CB SER A 84 3.674 22.611 -0.425 1.00 0.00 C ATOM 1221 OG SER A 84 2.385 23.201 -0.415 1.00 0.00 O ATOM 0 H SER A 84 2.761 20.295 -0.143 1.00 0.00 H new ATOM 0 HA SER A 84 3.102 21.777 -2.322 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.887 22.178 0.552 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.427 23.378 -0.605 1.00 0.00 H new ATOM 0 HG SER A 84 2.345 23.889 0.282 1.00 0.00 H new ATOM 1227 N SER A 85 6.092 20.846 -1.278 1.00 0.00 N ATOM 1228 CA SER A 85 7.488 20.721 -1.679 1.00 0.00 C ATOM 1229 C SER A 85 7.606 19.997 -3.017 1.00 0.00 C ATOM 1230 O SER A 85 8.080 20.563 -4.002 1.00 0.00 O ATOM 1231 CB SER A 85 8.283 19.970 -0.609 1.00 0.00 C ATOM 1232 OG SER A 85 8.458 20.768 0.549 1.00 0.00 O ATOM 0 H SER A 85 5.872 20.422 -0.377 1.00 0.00 H new ATOM 0 HA SER A 85 7.899 21.724 -1.790 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.764 19.049 -0.345 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.256 19.684 -1.008 1.00 0.00 H new ATOM 0 HG SER A 85 7.915 20.406 1.281 1.00 0.00 H new ATOM 1238 N GLY A 86 7.172 18.741 -3.044 1.00 0.00 N ATOM 1239 CA GLY A 86 7.237 17.959 -4.265 1.00 0.00 C ATOM 1240 C GLY A 86 6.343 16.736 -4.219 1.00 0.00 C ATOM 1241 O GLY A 86 5.276 16.763 -3.608 1.00 0.00 O ATOM 0 H GLY A 86 6.776 18.251 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.948 18.585 -5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.267 17.646 -4.438 1.00 0.00 H new ATOM 1245 N GLU A 87 6.779 15.661 -4.869 1.00 0.00 N ATOM 1246 CA GLU A 87 6.008 14.424 -4.901 1.00 0.00 C ATOM 1247 C GLU A 87 6.928 13.213 -5.033 1.00 0.00 C ATOM 1248 O GLU A 87 7.922 13.250 -5.760 1.00 0.00 O ATOM 1249 CB GLU A 87 5.010 14.449 -6.060 1.00 0.00 C ATOM 1250 CG GLU A 87 3.928 13.388 -5.955 1.00 0.00 C ATOM 1251 CD GLU A 87 3.075 13.298 -7.205 1.00 0.00 C ATOM 1252 OE1 GLU A 87 3.522 12.664 -8.183 1.00 0.00 O ATOM 1253 OE2 GLU A 87 1.960 13.862 -7.205 1.00 0.00 O ATOM 0 H GLU A 87 7.661 15.622 -5.380 1.00 0.00 H new ATOM 0 HA GLU A 87 5.461 14.342 -3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.540 15.432 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.551 14.313 -6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.391 12.420 -5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.290 13.609 -5.099 1.00 0.00 H new ATOM 1260 N THR A 88 6.590 12.140 -4.325 1.00 0.00 N ATOM 1261 CA THR A 88 7.384 10.919 -4.361 1.00 0.00 C ATOM 1262 C THR A 88 6.494 9.687 -4.479 1.00 0.00 C ATOM 1263 O THR A 88 5.318 9.723 -4.119 1.00 0.00 O ATOM 1264 CB THR A 88 8.264 10.784 -3.103 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.016 9.567 -3.160 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.413 10.802 -1.843 1.00 0.00 C ATOM 0 H THR A 88 5.771 12.092 -3.719 1.00 0.00 H new ATOM 0 HA THR A 88 8.026 10.985 -5.240 1.00 0.00 H new ATOM 0 HB THR A 88 8.948 11.632 -3.072 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.574 9.489 -2.358 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.056 10.705 -0.968 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.864 11.742 -1.788 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.708 9.971 -1.868 1.00 0.00 H new ATOM 1274 N SER A 89 7.063 8.598 -4.985 1.00 0.00 N ATOM 1275 CA SER A 89 6.320 7.355 -5.153 1.00 0.00 C ATOM 1276 C SER A 89 7.198 6.149 -4.835 1.00 0.00 C ATOM 1277 O SER A 89 8.424 6.254 -4.793 1.00 0.00 O ATOM 1278 CB SER A 89 5.783 7.247 -6.582 1.00 0.00 C ATOM 1279 OG SER A 89 6.827 6.971 -7.500 1.00 0.00 O ATOM 0 H SER A 89 8.036 8.551 -5.286 1.00 0.00 H new ATOM 0 HA SER A 89 5.482 7.365 -4.457 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.032 6.459 -6.633 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.288 8.178 -6.859 1.00 0.00 H new ATOM 0 HG SER A 89 6.458 6.905 -8.405 1.00 0.00 H new ATOM 1285 N TRP A 90 6.563 5.005 -4.612 1.00 0.00 N ATOM 1286 CA TRP A 90 7.286 3.777 -4.298 1.00 0.00 C ATOM 1287 C TRP A 90 6.774 2.613 -5.139 1.00 0.00 C ATOM 1288 O TRP A 90 5.711 2.700 -5.754 1.00 0.00 O ATOM 1289 CB TRP A 90 7.148 3.447 -2.810 1.00 0.00 C ATOM 1290 CG TRP A 90 8.265 2.597 -2.285 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.317 1.233 -2.266 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.489 3.056 -1.702 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.500 0.815 -1.705 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.237 1.914 -1.352 1.00 0.00 C ATOM 1295 CE3 TRP A 90 10.028 4.319 -1.443 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.493 2.001 -0.756 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.274 4.403 -0.851 1.00 0.00 C ATOM 1298 CH2 TRP A 90 11.995 3.250 -0.514 1.00 0.00 C ATOM 0 H TRP A 90 5.549 4.901 -4.643 1.00 0.00 H new ATOM 0 HA TRP A 90 8.339 3.934 -4.533 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.109 4.376 -2.241 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.201 2.933 -2.645 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.542 0.578 -2.637 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.783 -0.156 -1.573 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.481 5.214 -1.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.051 1.114 -0.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.699 5.374 -0.645 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.967 3.349 -0.054 1.00 0.00 H new ATOM 1309 N SER A 91 7.537 1.525 -5.161 1.00 0.00 N ATOM 1310 CA SER A 91 7.161 0.344 -5.931 1.00 0.00 C ATOM 1311 C SER A 91 6.971 -0.862 -5.016 1.00 0.00 C ATOM 1312 O SER A 91 7.748 -1.080 -4.088 1.00 0.00 O ATOM 1313 CB SER A 91 8.227 0.036 -6.984 1.00 0.00 C ATOM 1314 OG SER A 91 9.377 -0.543 -6.393 1.00 0.00 O ATOM 0 H SER A 91 8.418 1.436 -4.655 1.00 0.00 H new ATOM 0 HA SER A 91 6.215 0.552 -6.431 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.818 -0.643 -7.732 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.504 0.953 -7.504 1.00 0.00 H new ATOM 0 HG SER A 91 10.042 -0.732 -7.088 1.00 0.00 H new ATOM 1320 N ALA A 92 5.929 -1.643 -5.287 1.00 0.00 N ATOM 1321 CA ALA A 92 5.636 -2.828 -4.491 1.00 0.00 C ATOM 1322 C ALA A 92 4.617 -3.720 -5.190 1.00 0.00 C ATOM 1323 O ALA A 92 3.948 -3.296 -6.133 1.00 0.00 O ATOM 1324 CB ALA A 92 5.132 -2.427 -3.112 1.00 0.00 C ATOM 0 H ALA A 92 5.275 -1.476 -6.051 1.00 0.00 H new ATOM 0 HA ALA A 92 6.559 -3.396 -4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.917 -3.322 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.894 -1.837 -2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.223 -1.834 -3.215 1.00 0.00 H new ATOM 1330 N VAL A 93 4.502 -4.960 -4.722 1.00 0.00 N ATOM 1331 CA VAL A 93 3.564 -5.912 -5.303 1.00 0.00 C ATOM 1332 C VAL A 93 3.075 -6.909 -4.258 1.00 0.00 C ATOM 1333 O VAL A 93 3.816 -7.283 -3.347 1.00 0.00 O ATOM 1334 CB VAL A 93 4.199 -6.684 -6.475 1.00 0.00 C ATOM 1335 CG1 VAL A 93 3.239 -7.738 -7.003 1.00 0.00 C ATOM 1336 CG2 VAL A 93 4.613 -5.725 -7.581 1.00 0.00 C ATOM 0 H VAL A 93 5.047 -5.328 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 93 2.718 -5.334 -5.675 1.00 0.00 H new ATOM 0 HB VAL A 93 5.093 -7.192 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.705 -8.273 -7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.997 -8.442 -6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.325 -7.256 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.060 -6.287 -8.401 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.737 -5.188 -7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.340 -5.012 -7.191 1.00 0.00 H new ATOM 1346 N LEU A 94 1.825 -7.336 -4.394 1.00 0.00 N ATOM 1347 CA LEU A 94 1.237 -8.292 -3.462 1.00 0.00 C ATOM 1348 C LEU A 94 0.828 -9.573 -4.181 1.00 0.00 C ATOM 1349 O LEU A 94 -0.261 -9.658 -4.749 1.00 0.00 O ATOM 1350 CB LEU A 94 0.022 -7.674 -2.767 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.868 -8.641 -1.985 1.00 0.00 C ATOM 1352 CD1 LEU A 94 -0.271 -8.926 -0.615 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -2.275 -8.079 -1.849 1.00 0.00 C ATOM 0 H LEU A 94 1.199 -7.035 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 94 1.989 -8.542 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.374 -6.902 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.589 -7.178 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.925 -9.579 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.918 -9.616 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.716 -9.372 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.184 -7.995 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.894 -8.780 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.237 -7.127 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.703 -7.927 -2.840 1.00 0.00 H new ATOM 1365 N ASP A 95 1.708 -10.569 -4.150 1.00 0.00 N ATOM 1366 CA ASP A 95 1.438 -11.848 -4.796 1.00 0.00 C ATOM 1367 C ASP A 95 0.531 -12.714 -3.928 1.00 0.00 C ATOM 1368 O ASP A 95 0.940 -13.193 -2.870 1.00 0.00 O ATOM 1369 CB ASP A 95 2.746 -12.585 -5.083 1.00 0.00 C ATOM 1370 CG ASP A 95 3.392 -12.136 -6.379 1.00 0.00 C ATOM 1371 OD1 ASP A 95 2.974 -12.625 -7.450 1.00 0.00 O ATOM 1372 OD2 ASP A 95 4.315 -11.297 -6.324 1.00 0.00 O ATOM 0 H ASP A 95 2.614 -10.515 -3.684 1.00 0.00 H new ATOM 0 HA ASP A 95 0.928 -11.650 -5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.440 -12.421 -4.259 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.553 -13.657 -5.129 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.703 -12.911 -4.381 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.668 -13.720 -3.646 1.00 0.00 C ATOM 1379 C VAL A 96 -1.733 -15.138 -4.202 1.00 0.00 C ATOM 1380 O VAL A 96 -2.007 -15.342 -5.385 1.00 0.00 O ATOM 1381 CB VAL A 96 -3.075 -13.096 -3.694 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.088 -14.009 -3.020 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -3.071 -11.720 -3.045 1.00 0.00 C ATOM 0 H VAL A 96 -1.058 -12.521 -5.254 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.329 -13.754 -2.611 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.365 -12.979 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.076 -13.551 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.110 -14.970 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.804 -14.161 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.074 -11.294 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.759 -11.809 -2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.377 -11.069 -3.577 1.00 0.00 H new ATOM 1393 N THR A 97 -1.480 -16.118 -3.340 1.00 0.00 N ATOM 1394 CA THR A 97 -1.509 -17.518 -3.743 1.00 0.00 C ATOM 1395 C THR A 97 -2.620 -18.275 -3.024 1.00 0.00 C ATOM 1396 O THR A 97 -3.070 -17.865 -1.955 1.00 0.00 O ATOM 1397 CB THR A 97 -0.164 -18.212 -3.460 1.00 0.00 C ATOM 1398 OG1 THR A 97 0.172 -18.084 -2.074 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.944 -17.613 -4.313 1.00 0.00 C ATOM 0 H THR A 97 -1.252 -15.967 -2.357 1.00 0.00 H new ATOM 0 HA THR A 97 -1.699 -17.534 -4.816 1.00 0.00 H new ATOM 0 HB THR A 97 -0.265 -19.268 -3.713 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.138 -17.944 -1.983 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.885 -18.119 -4.096 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.700 -17.739 -5.368 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.043 -16.551 -4.088 1.00 0.00 H new ATOM 1407 N GLU A 98 -3.056 -19.381 -3.618 1.00 0.00 N ATOM 1408 CA GLU A 98 -4.115 -20.195 -3.032 1.00 0.00 C ATOM 1409 C GLU A 98 -3.593 -20.991 -1.840 1.00 0.00 C ATOM 1410 O GLU A 98 -4.277 -21.133 -0.826 1.00 0.00 O ATOM 1411 CB GLU A 98 -4.697 -21.146 -4.080 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.403 -20.435 -5.222 1.00 0.00 C ATOM 1413 CD GLU A 98 -6.080 -21.397 -6.179 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -5.363 -22.145 -6.876 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -7.328 -21.403 -6.229 1.00 0.00 O ATOM 0 H GLU A 98 -2.693 -19.734 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.901 -19.526 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.894 -21.760 -4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.400 -21.822 -3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.147 -19.750 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.681 -19.831 -5.771 1.00 0.00 H new ATOM 1422 N SER A 99 -2.376 -21.511 -1.970 1.00 0.00 N ATOM 1423 CA SER A 99 -1.763 -22.297 -0.906 1.00 0.00 C ATOM 1424 C SER A 99 -0.538 -21.585 -0.341 1.00 0.00 C ATOM 1425 O SER A 99 0.501 -22.201 -0.110 1.00 0.00 O ATOM 1426 CB SER A 99 -1.367 -23.680 -1.429 1.00 0.00 C ATOM 1427 OG SER A 99 -0.902 -24.508 -0.378 1.00 0.00 O ATOM 0 H SER A 99 -1.796 -21.402 -2.802 1.00 0.00 H new ATOM 0 HA SER A 99 -2.494 -22.414 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.224 -24.148 -1.913 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.590 -23.577 -2.186 1.00 0.00 H new ATOM 0 HG SER A 99 -0.144 -24.076 0.068 1.00 0.00 H new ATOM 1433 N GLY A 100 -0.670 -20.280 -0.120 1.00 0.00 N ATOM 1434 CA GLY A 100 0.432 -19.503 0.416 1.00 0.00 C ATOM 1435 C GLY A 100 1.071 -20.161 1.623 1.00 0.00 C ATOM 1436 O GLY A 100 2.261 -19.979 1.880 1.00 0.00 O ATOM 0 H GLY A 100 -1.521 -19.748 -0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.185 -19.363 -0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.073 -18.512 0.694 1.00 0.00 H new