USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=25 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+ -179:sc= 1.24 (180deg=1.17) USER MOD Set 1.2: A 77 TYR OH : rot -1:sc= 0.00615 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 17 ASN : amide:sc= -0.0261 K(o=-0.026,f=-2.1!) USER MOD Single : A 18 GLN :FLIP amide:sc= -1.29 F(o=-2.5!,f=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.000256) USER MOD Single : A 31 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 180:sc= -0.288 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.000686 X(o=-0.00069,f=-0.15) USER MOD Single : A 67 LYS NZ :NH3+ 148:sc= -0.177 (180deg=-1.47!) USER MOD Single : A 68 ASN : amide:sc= -0.855 K(o=-0.86,f=-6.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 122:sc= 0.417 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 170:sc= -0.758 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.492 USER MOD Single : A 91 SER OG : rot 14:sc= 0.263 USER MOD Single : A 97 THR OG1 : rot -120:sc= -2.18 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 9.228 15.112 -0.863 1.00 0.00 N ATOM 81 CA PRO A 9 8.820 14.155 0.170 1.00 0.00 C ATOM 82 C PRO A 9 9.554 12.824 0.050 1.00 0.00 C ATOM 83 O PRO A 9 9.631 12.242 -1.032 1.00 0.00 O ATOM 84 CB PRO A 9 7.324 13.965 -0.093 1.00 0.00 C ATOM 85 CG PRO A 9 7.150 14.286 -1.538 1.00 0.00 C ATOM 86 CD PRO A 9 8.162 15.354 -1.850 1.00 0.00 C ATOM 0 HA PRO A 9 9.048 14.516 1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.010 12.945 0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.725 14.625 0.534 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.312 13.403 -2.156 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.138 14.636 -1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.533 15.270 -2.871 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.737 16.353 -1.746 1.00 0.00 H new ATOM 94 N ILE A 10 10.092 12.348 1.168 1.00 0.00 N ATOM 95 CA ILE A 10 10.820 11.085 1.187 1.00 0.00 C ATOM 96 C ILE A 10 10.042 10.014 1.946 1.00 0.00 C ATOM 97 O ILE A 10 9.399 10.300 2.956 1.00 0.00 O ATOM 98 CB ILE A 10 12.210 11.245 1.830 1.00 0.00 C ATOM 99 CG1 ILE A 10 13.044 12.260 1.045 1.00 0.00 C ATOM 100 CG2 ILE A 10 12.922 9.902 1.894 1.00 0.00 C ATOM 101 CD1 ILE A 10 12.884 13.682 1.535 1.00 0.00 C ATOM 0 H ILE A 10 10.038 12.818 2.072 1.00 0.00 H new ATOM 0 HA ILE A 10 10.943 10.776 0.149 1.00 0.00 H new ATOM 0 HB ILE A 10 12.084 11.615 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.095 11.979 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.763 12.213 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.903 10.032 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.333 9.206 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 10 13.041 9.505 0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.504 14.346 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.840 13.982 1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.193 13.744 2.578 1.00 0.00 H new ATOM 113 N ILE A 11 10.108 8.782 1.454 1.00 0.00 N ATOM 114 CA ILE A 11 9.413 7.669 2.087 1.00 0.00 C ATOM 115 C ILE A 11 10.365 6.843 2.945 1.00 0.00 C ATOM 116 O ILE A 11 10.947 5.862 2.478 1.00 0.00 O ATOM 117 CB ILE A 11 8.753 6.750 1.042 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.549 7.447 0.406 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.332 5.435 1.683 1.00 0.00 C ATOM 120 CD1 ILE A 11 7.009 6.730 -0.812 1.00 0.00 C ATOM 0 H ILE A 11 10.636 8.529 0.619 1.00 0.00 H new ATOM 0 HA ILE A 11 8.638 8.100 2.721 1.00 0.00 H new ATOM 0 HB ILE A 11 9.480 6.534 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.755 7.533 1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.833 8.461 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.867 4.796 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.208 4.933 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.619 5.632 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.157 7.281 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.788 6.667 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.693 5.725 -0.532 1.00 0.00 H new ATOM 132 N LEU A 12 10.518 7.243 4.202 1.00 0.00 N ATOM 133 CA LEU A 12 11.399 6.539 5.128 1.00 0.00 C ATOM 134 C LEU A 12 11.293 5.029 4.938 1.00 0.00 C ATOM 135 O LEU A 12 12.303 4.328 4.893 1.00 0.00 O ATOM 136 CB LEU A 12 11.054 6.908 6.572 1.00 0.00 C ATOM 137 CG LEU A 12 11.340 8.354 6.981 1.00 0.00 C ATOM 138 CD1 LEU A 12 10.521 8.734 8.204 1.00 0.00 C ATOM 139 CD2 LEU A 12 12.826 8.548 7.250 1.00 0.00 C ATOM 0 H LEU A 12 10.043 8.051 4.604 1.00 0.00 H new ATOM 0 HA LEU A 12 12.424 6.843 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.995 6.708 6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.609 6.247 7.238 1.00 0.00 H new ATOM 0 HG LEU A 12 11.052 9.008 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.737 9.766 8.481 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.460 8.634 7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.778 8.075 9.033 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.011 9.582 7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.140 7.884 8.055 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.392 8.317 6.348 1.00 0.00 H new ATOM 151 N GLN A 13 10.063 4.537 4.826 1.00 0.00 N ATOM 152 CA GLN A 13 9.826 3.110 4.640 1.00 0.00 C ATOM 153 C GLN A 13 8.531 2.870 3.871 1.00 0.00 C ATOM 154 O GLN A 13 7.447 3.225 4.333 1.00 0.00 O ATOM 155 CB GLN A 13 9.768 2.400 5.993 1.00 0.00 C ATOM 156 CG GLN A 13 10.111 0.921 5.920 1.00 0.00 C ATOM 157 CD GLN A 13 9.966 0.221 7.257 1.00 0.00 C ATOM 158 OE1 GLN A 13 9.882 0.866 8.302 1.00 0.00 O ATOM 159 NE2 GLN A 13 9.937 -1.106 7.230 1.00 0.00 N ATOM 0 H GLN A 13 9.216 5.105 4.861 1.00 0.00 H new ATOM 0 HA GLN A 13 10.654 2.702 4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.457 2.890 6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.767 2.512 6.410 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.463 0.437 5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.135 0.807 5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.010 -1.600 6.340 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.842 -1.632 8.099 1.00 0.00 H new ATOM 168 N GLY A 14 8.652 2.265 2.693 1.00 0.00 N ATOM 169 CA GLY A 14 7.483 1.988 1.878 1.00 0.00 C ATOM 170 C GLY A 14 7.144 0.511 1.834 1.00 0.00 C ATOM 171 O GLY A 14 7.710 -0.300 2.567 1.00 0.00 O ATOM 0 H GLY A 14 9.538 1.962 2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.630 2.542 2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.657 2.348 0.864 1.00 0.00 H new ATOM 175 N PRO A 15 6.197 0.143 0.958 1.00 0.00 N ATOM 176 CA PRO A 15 5.760 -1.247 0.802 1.00 0.00 C ATOM 177 C PRO A 15 6.831 -2.122 0.159 1.00 0.00 C ATOM 178 O PRO A 15 7.714 -1.626 -0.540 1.00 0.00 O ATOM 179 CB PRO A 15 4.540 -1.135 -0.116 1.00 0.00 C ATOM 180 CG PRO A 15 4.756 0.126 -0.880 1.00 0.00 C ATOM 181 CD PRO A 15 5.479 1.057 0.053 1.00 0.00 C ATOM 0 HA PRO A 15 5.546 -1.717 1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.466 -1.994 -0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.614 -1.096 0.458 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.343 -0.059 -1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.807 0.555 -1.201 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.165 1.712 -0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.786 1.699 0.597 1.00 0.00 H new ATOM 189 N ALA A 16 6.747 -3.426 0.401 1.00 0.00 N ATOM 190 CA ALA A 16 7.708 -4.370 -0.156 1.00 0.00 C ATOM 191 C ALA A 16 7.000 -5.547 -0.818 1.00 0.00 C ATOM 192 O ALA A 16 5.795 -5.731 -0.654 1.00 0.00 O ATOM 193 CB ALA A 16 8.654 -4.863 0.930 1.00 0.00 C ATOM 0 H ALA A 16 6.023 -3.853 0.979 1.00 0.00 H new ATOM 0 HA ALA A 16 8.288 -3.852 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.366 -5.567 0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.193 -4.016 1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.081 -5.359 1.714 1.00 0.00 H new ATOM 199 N ASN A 17 7.758 -6.342 -1.567 1.00 0.00 N ATOM 200 CA ASN A 17 7.203 -7.502 -2.255 1.00 0.00 C ATOM 201 C ASN A 17 6.894 -8.623 -1.268 1.00 0.00 C ATOM 202 O ASN A 17 7.793 -9.333 -0.819 1.00 0.00 O ATOM 203 CB ASN A 17 8.176 -8.001 -3.324 1.00 0.00 C ATOM 204 CG ASN A 17 8.711 -6.877 -4.190 1.00 0.00 C ATOM 205 OD1 ASN A 17 7.947 -6.071 -4.721 1.00 0.00 O ATOM 206 ND2 ASN A 17 10.030 -6.819 -4.336 1.00 0.00 N ATOM 0 H ASN A 17 8.758 -6.204 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 17 6.273 -7.198 -2.735 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.009 -8.513 -2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.673 -8.734 -3.955 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.448 -6.085 -4.907 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.625 -7.509 -3.877 1.00 0.00 H new ATOM 213 N GLN A 18 5.616 -8.777 -0.937 1.00 0.00 N ATOM 214 CA GLN A 18 5.189 -9.812 -0.003 1.00 0.00 C ATOM 215 C GLN A 18 4.247 -10.802 -0.682 1.00 0.00 C ATOM 216 O GLN A 18 3.371 -10.413 -1.455 1.00 0.00 O ATOM 217 CB GLN A 18 4.499 -9.183 1.209 1.00 0.00 C ATOM 218 CG GLN A 18 3.490 -8.107 0.844 1.00 0.00 C ATOM 219 CD GLN A 18 2.944 -7.383 2.058 1.00 0.00 C ATOM 220 OE1 GLN A 18 3.060 -6.060 2.061 1.00 0.00 O flip ATOM 221 NE2 GLN A 18 2.423 -8.005 2.984 1.00 0.00 N flip ATOM 0 H GLN A 18 4.859 -8.199 -1.301 1.00 0.00 H new ATOM 0 HA GLN A 18 6.075 -10.351 0.332 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.994 -9.965 1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.256 -8.752 1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.960 -7.385 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.665 -8.560 0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.355 -9.022 2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.060 -7.504 3.795 1.00 0.00 H new ATOM 230 N THR A 19 4.434 -12.085 -0.388 1.00 0.00 N ATOM 231 CA THR A 19 3.603 -13.131 -0.971 1.00 0.00 C ATOM 232 C THR A 19 2.619 -13.686 0.053 1.00 0.00 C ATOM 233 O THR A 19 2.949 -14.592 0.819 1.00 0.00 O ATOM 234 CB THR A 19 4.459 -14.287 -1.522 1.00 0.00 C ATOM 235 OG1 THR A 19 5.336 -13.803 -2.545 1.00 0.00 O ATOM 236 CG2 THR A 19 3.578 -15.393 -2.083 1.00 0.00 C ATOM 0 H THR A 19 5.154 -12.424 0.250 1.00 0.00 H new ATOM 0 HA THR A 19 3.050 -12.675 -1.792 1.00 0.00 H new ATOM 0 HB THR A 19 5.049 -14.696 -0.702 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.878 -14.544 -2.889 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.205 -16.198 -2.466 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.933 -15.779 -1.294 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.964 -14.995 -2.891 1.00 0.00 H new ATOM 244 N LEU A 20 1.409 -13.137 0.061 1.00 0.00 N ATOM 245 CA LEU A 20 0.375 -13.578 0.992 1.00 0.00 C ATOM 246 C LEU A 20 -0.526 -14.626 0.347 1.00 0.00 C ATOM 247 O LEU A 20 -0.421 -14.899 -0.848 1.00 0.00 O ATOM 248 CB LEU A 20 -0.462 -12.385 1.457 1.00 0.00 C ATOM 249 CG LEU A 20 0.302 -11.260 2.155 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.600 -10.054 2.369 1.00 0.00 C ATOM 251 CD2 LEU A 20 0.872 -11.744 3.480 1.00 0.00 C ATOM 0 H LEU A 20 1.120 -12.386 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 20 0.865 -14.028 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.974 -11.966 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.232 -12.750 2.137 1.00 0.00 H new ATOM 0 HG LEU A 20 1.131 -10.958 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.039 -9.264 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.959 -9.692 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.450 -10.341 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.413 -10.930 3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.059 -12.074 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.553 -12.576 3.301 1.00 0.00 H new ATOM 263 N ALA A 21 -1.413 -15.209 1.147 1.00 0.00 N ATOM 264 CA ALA A 21 -2.336 -16.224 0.654 1.00 0.00 C ATOM 265 C ALA A 21 -3.759 -15.682 0.580 1.00 0.00 C ATOM 266 O ALA A 21 -4.260 -15.090 1.537 1.00 0.00 O ATOM 267 CB ALA A 21 -2.285 -17.459 1.540 1.00 0.00 C ATOM 0 H ALA A 21 -1.512 -14.996 2.140 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.028 -16.501 -0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.979 -18.208 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.274 -17.867 1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.565 -17.188 2.558 1.00 0.00 H new ATOM 273 N VAL A 22 -4.408 -15.888 -0.562 1.00 0.00 N ATOM 274 CA VAL A 22 -5.774 -15.420 -0.760 1.00 0.00 C ATOM 275 C VAL A 22 -6.624 -15.663 0.482 1.00 0.00 C ATOM 276 O VAL A 22 -6.371 -16.594 1.247 1.00 0.00 O ATOM 277 CB VAL A 22 -6.436 -16.115 -1.965 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.359 -17.627 -1.819 1.00 0.00 C ATOM 279 CG2 VAL A 22 -7.879 -15.658 -2.117 1.00 0.00 C ATOM 0 H VAL A 22 -4.009 -16.376 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.716 -14.349 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.893 -15.834 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.832 -18.100 -2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.315 -17.935 -1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.875 -17.931 -0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.331 -16.159 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.437 -15.908 -1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.905 -14.579 -2.273 1.00 0.00 H new ATOM 289 N ASP A 23 -7.633 -14.821 0.676 1.00 0.00 N ATOM 290 CA ASP A 23 -8.522 -14.945 1.825 1.00 0.00 C ATOM 291 C ASP A 23 -7.805 -14.548 3.112 1.00 0.00 C ATOM 292 O ASP A 23 -8.102 -15.070 4.186 1.00 0.00 O ATOM 293 CB ASP A 23 -9.046 -16.377 1.939 1.00 0.00 C ATOM 294 CG ASP A 23 -9.424 -16.964 0.594 1.00 0.00 C ATOM 295 OD1 ASP A 23 -10.259 -16.354 -0.107 1.00 0.00 O ATOM 296 OD2 ASP A 23 -8.884 -18.033 0.240 1.00 0.00 O ATOM 0 H ASP A 23 -7.856 -14.045 0.052 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.364 -14.269 1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.285 -17.003 2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.916 -16.391 2.596 1.00 0.00 H new ATOM 301 N GLY A 24 -6.859 -13.621 2.996 1.00 0.00 N ATOM 302 CA GLY A 24 -6.114 -13.172 4.157 1.00 0.00 C ATOM 303 C GLY A 24 -6.160 -11.666 4.328 1.00 0.00 C ATOM 304 O GLY A 24 -7.057 -11.001 3.808 1.00 0.00 O ATOM 0 H GLY A 24 -6.595 -13.173 2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.517 -13.649 5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.076 -13.493 4.065 1.00 0.00 H new ATOM 308 N THR A 25 -5.192 -11.125 5.062 1.00 0.00 N ATOM 309 CA THR A 25 -5.128 -9.689 5.303 1.00 0.00 C ATOM 310 C THR A 25 -3.808 -9.108 4.811 1.00 0.00 C ATOM 311 O THR A 25 -2.735 -9.509 5.262 1.00 0.00 O ATOM 312 CB THR A 25 -5.293 -9.363 6.800 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.394 -10.100 7.343 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.522 -7.874 7.007 1.00 0.00 C ATOM 0 H THR A 25 -4.442 -11.660 5.500 1.00 0.00 H new ATOM 0 HA THR A 25 -5.950 -9.238 4.747 1.00 0.00 H new ATOM 0 HB THR A 25 -4.376 -9.649 7.315 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.491 -9.889 8.295 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.636 -7.668 8.071 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.669 -7.317 6.619 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.426 -7.568 6.480 1.00 0.00 H new ATOM 322 N ALA A 26 -3.893 -8.160 3.883 1.00 0.00 N ATOM 323 CA ALA A 26 -2.705 -7.522 3.331 1.00 0.00 C ATOM 324 C ALA A 26 -2.430 -6.188 4.017 1.00 0.00 C ATOM 325 O ALA A 26 -3.296 -5.313 4.067 1.00 0.00 O ATOM 326 CB ALA A 26 -2.860 -7.323 1.831 1.00 0.00 C ATOM 0 H ALA A 26 -4.773 -7.817 3.498 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.854 -8.178 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.965 -6.845 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.001 -8.290 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.726 -6.691 1.635 1.00 0.00 H new ATOM 332 N LEU A 27 -1.221 -6.039 4.547 1.00 0.00 N ATOM 333 CA LEU A 27 -0.831 -4.811 5.231 1.00 0.00 C ATOM 334 C LEU A 27 0.364 -4.159 4.544 1.00 0.00 C ATOM 335 O LEU A 27 1.494 -4.638 4.654 1.00 0.00 O ATOM 336 CB LEU A 27 -0.495 -5.104 6.695 1.00 0.00 C ATOM 337 CG LEU A 27 -1.686 -5.371 7.616 1.00 0.00 C ATOM 338 CD1 LEU A 27 -2.534 -4.118 7.771 1.00 0.00 C ATOM 339 CD2 LEU A 27 -2.526 -6.523 7.082 1.00 0.00 C ATOM 0 H LEU A 27 -0.494 -6.753 4.516 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.672 -4.119 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.166 -5.970 6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.066 -4.259 7.095 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.305 -5.650 8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.377 -4.328 8.430 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.928 -3.320 8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.906 -3.807 6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.369 -6.699 7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.897 -6.273 6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.914 -7.423 7.025 1.00 0.00 H new ATOM 351 N LEU A 28 0.109 -3.064 3.837 1.00 0.00 N ATOM 352 CA LEU A 28 1.165 -2.345 3.133 1.00 0.00 C ATOM 353 C LEU A 28 1.626 -1.132 3.935 1.00 0.00 C ATOM 354 O LEU A 28 0.953 -0.102 3.966 1.00 0.00 O ATOM 355 CB LEU A 28 0.675 -1.901 1.753 1.00 0.00 C ATOM 356 CG LEU A 28 0.390 -3.020 0.750 1.00 0.00 C ATOM 357 CD1 LEU A 28 1.651 -3.824 0.475 1.00 0.00 C ATOM 358 CD2 LEU A 28 -0.720 -3.926 1.263 1.00 0.00 C ATOM 0 H LEU A 28 -0.820 -2.654 3.736 1.00 0.00 H new ATOM 0 HA LEU A 28 2.011 -3.021 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.236 -1.317 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.422 -1.235 1.321 1.00 0.00 H new ATOM 0 HG LEU A 28 0.060 -2.568 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.429 -4.616 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.418 -3.168 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.011 -4.266 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.909 -4.716 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.418 -4.370 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.629 -3.342 1.409 1.00 0.00 H new ATOM 370 N LYS A 29 2.779 -1.261 4.582 1.00 0.00 N ATOM 371 CA LYS A 29 3.334 -0.176 5.382 1.00 0.00 C ATOM 372 C LYS A 29 3.887 0.930 4.490 1.00 0.00 C ATOM 373 O LYS A 29 4.519 0.660 3.468 1.00 0.00 O ATOM 374 CB LYS A 29 4.438 -0.704 6.301 1.00 0.00 C ATOM 375 CG LYS A 29 3.933 -1.157 7.660 1.00 0.00 C ATOM 376 CD LYS A 29 2.798 -2.158 7.528 1.00 0.00 C ATOM 377 CE LYS A 29 3.321 -3.578 7.375 1.00 0.00 C ATOM 378 NZ LYS A 29 3.747 -4.156 8.680 1.00 0.00 N ATOM 0 H LYS A 29 3.348 -2.107 4.568 1.00 0.00 H new ATOM 0 HA LYS A 29 2.531 0.239 5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.938 -1.540 5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.186 0.076 6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.752 -1.606 8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.592 -0.292 8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.155 -2.099 8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.183 -1.901 6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.545 -4.205 6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.164 -3.582 6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.469 -4.887 8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.145 -3.405 9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.926 -4.580 9.156 1.00 0.00 H new ATOM 392 N CYS A 30 3.647 2.177 4.883 1.00 0.00 N ATOM 393 CA CYS A 30 4.122 3.325 4.119 1.00 0.00 C ATOM 394 C CYS A 30 4.275 4.549 5.017 1.00 0.00 C ATOM 395 O CYS A 30 3.290 5.099 5.510 1.00 0.00 O ATOM 396 CB CYS A 30 3.157 3.636 2.973 1.00 0.00 C ATOM 397 SG CYS A 30 3.786 4.864 1.784 1.00 0.00 S ATOM 0 H CYS A 30 3.126 2.418 5.726 1.00 0.00 H new ATOM 0 HA CYS A 30 5.099 3.076 3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.933 2.712 2.440 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.218 3.999 3.391 1.00 0.00 H new ATOM 402 N LYS A 31 5.518 4.972 5.224 1.00 0.00 N ATOM 403 CA LYS A 31 5.802 6.132 6.060 1.00 0.00 C ATOM 404 C LYS A 31 6.582 7.186 5.281 1.00 0.00 C ATOM 405 O LYS A 31 7.656 6.909 4.747 1.00 0.00 O ATOM 406 CB LYS A 31 6.593 5.711 7.301 1.00 0.00 C ATOM 407 CG LYS A 31 6.589 6.751 8.407 1.00 0.00 C ATOM 408 CD LYS A 31 6.847 6.122 9.766 1.00 0.00 C ATOM 409 CE LYS A 31 6.926 7.174 10.861 1.00 0.00 C ATOM 410 NZ LYS A 31 7.682 6.684 12.047 1.00 0.00 N ATOM 0 H LYS A 31 6.345 4.528 4.824 1.00 0.00 H new ATOM 0 HA LYS A 31 4.852 6.565 6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.178 4.780 7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.623 5.504 7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.351 7.503 8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.628 7.266 8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.051 5.414 9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.778 5.556 9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.406 8.071 10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.919 7.459 11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.714 7.430 12.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.210 5.843 12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.651 6.436 11.763 1.00 0.00 H new ATOM 424 N ALA A 32 6.036 8.396 5.222 1.00 0.00 N ATOM 425 CA ALA A 32 6.683 9.493 4.511 1.00 0.00 C ATOM 426 C ALA A 32 6.700 10.761 5.358 1.00 0.00 C ATOM 427 O ALA A 32 5.756 11.040 6.097 1.00 0.00 O ATOM 428 CB ALA A 32 5.982 9.749 3.186 1.00 0.00 C ATOM 0 H ALA A 32 5.147 8.642 5.658 1.00 0.00 H new ATOM 0 HA ALA A 32 7.716 9.207 4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.475 10.570 2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.028 8.850 2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.940 10.010 3.370 1.00 0.00 H new ATOM 434 N THR A 33 7.781 11.527 5.245 1.00 0.00 N ATOM 435 CA THR A 33 7.922 12.765 6.001 1.00 0.00 C ATOM 436 C THR A 33 7.976 13.973 5.073 1.00 0.00 C ATOM 437 O THR A 33 8.433 13.874 3.936 1.00 0.00 O ATOM 438 CB THR A 33 9.189 12.748 6.877 1.00 0.00 C ATOM 439 OG1 THR A 33 9.285 13.966 7.624 1.00 0.00 O ATOM 440 CG2 THR A 33 10.435 12.572 6.022 1.00 0.00 C ATOM 0 H THR A 33 8.571 11.311 4.637 1.00 0.00 H new ATOM 0 HA THR A 33 7.046 12.843 6.644 1.00 0.00 H new ATOM 0 HB THR A 33 9.117 11.906 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.092 13.946 8.179 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.317 12.563 6.662 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.372 11.630 5.477 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.509 13.397 5.313 1.00 0.00 H new ATOM 448 N GLY A 34 7.506 15.115 5.567 1.00 0.00 N ATOM 449 CA GLY A 34 7.510 16.326 4.768 1.00 0.00 C ATOM 450 C GLY A 34 7.033 17.536 5.547 1.00 0.00 C ATOM 451 O GLY A 34 6.468 17.401 6.632 1.00 0.00 O ATOM 0 H GLY A 34 7.123 15.222 6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.519 16.510 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.872 16.184 3.896 1.00 0.00 H new ATOM 455 N ASP A 35 7.262 18.722 4.993 1.00 0.00 N ATOM 456 CA ASP A 35 6.852 19.961 5.643 1.00 0.00 C ATOM 457 C ASP A 35 6.187 20.904 4.645 1.00 0.00 C ATOM 458 O ASP A 35 6.845 21.688 3.961 1.00 0.00 O ATOM 459 CB ASP A 35 8.057 20.647 6.287 1.00 0.00 C ATOM 460 CG ASP A 35 7.659 21.829 7.149 1.00 0.00 C ATOM 461 OD1 ASP A 35 6.536 21.814 7.695 1.00 0.00 O ATOM 462 OD2 ASP A 35 8.471 22.769 7.278 1.00 0.00 O ATOM 0 H ASP A 35 7.729 18.851 4.096 1.00 0.00 H new ATOM 0 HA ASP A 35 6.128 19.713 6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.600 19.924 6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.739 20.984 5.507 1.00 0.00 H new ATOM 467 N PRO A 36 4.851 20.828 4.558 1.00 0.00 N ATOM 468 CA PRO A 36 4.056 19.898 5.367 1.00 0.00 C ATOM 469 C PRO A 36 4.265 18.446 4.953 1.00 0.00 C ATOM 470 O PRO A 36 5.062 18.152 4.061 1.00 0.00 O ATOM 471 CB PRO A 36 2.614 20.332 5.092 1.00 0.00 C ATOM 472 CG PRO A 36 2.664 20.983 3.753 1.00 0.00 C ATOM 473 CD PRO A 36 4.012 21.642 3.663 1.00 0.00 C ATOM 0 HA PRO A 36 4.332 19.935 6.421 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.937 19.478 5.092 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.256 21.023 5.855 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.534 20.249 2.957 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.864 21.715 3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.393 21.639 2.642 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.973 22.683 3.985 1.00 0.00 H new ATOM 481 N LEU A 37 3.543 17.540 5.605 1.00 0.00 N ATOM 482 CA LEU A 37 3.649 16.117 5.304 1.00 0.00 C ATOM 483 C LEU A 37 2.968 15.789 3.979 1.00 0.00 C ATOM 484 O LEU A 37 1.970 16.401 3.598 1.00 0.00 O ATOM 485 CB LEU A 37 3.025 15.290 6.430 1.00 0.00 C ATOM 486 CG LEU A 37 3.866 15.141 7.698 1.00 0.00 C ATOM 487 CD1 LEU A 37 2.970 14.996 8.918 1.00 0.00 C ATOM 488 CD2 LEU A 37 4.805 13.949 7.579 1.00 0.00 C ATOM 0 H LEU A 37 2.878 17.766 6.345 1.00 0.00 H new ATOM 0 HA LEU A 37 4.706 15.866 5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.072 15.743 6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.806 14.294 6.044 1.00 0.00 H new ATOM 0 HG LEU A 37 4.468 16.041 7.819 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.586 14.891 9.811 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.340 15.880 9.014 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.341 14.113 8.805 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.396 13.859 8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.222 13.040 7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.471 14.094 6.728 1.00 0.00 H new ATOM 500 N PRO A 38 3.516 14.798 3.261 1.00 0.00 N ATOM 501 CA PRO A 38 2.976 14.364 1.969 1.00 0.00 C ATOM 502 C PRO A 38 1.636 13.650 2.111 1.00 0.00 C ATOM 503 O PRO A 38 1.290 13.167 3.189 1.00 0.00 O ATOM 504 CB PRO A 38 4.043 13.399 1.445 1.00 0.00 C ATOM 505 CG PRO A 38 4.728 12.891 2.667 1.00 0.00 C ATOM 506 CD PRO A 38 4.706 14.025 3.655 1.00 0.00 C ATOM 0 HA PRO A 38 2.780 15.206 1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.595 12.585 0.875 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.743 13.906 0.781 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.216 12.016 3.066 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.751 12.588 2.444 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.629 13.663 4.680 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.613 14.626 3.597 1.00 0.00 H new ATOM 514 N VAL A 39 0.885 13.587 1.016 1.00 0.00 N ATOM 515 CA VAL A 39 -0.417 12.931 1.019 1.00 0.00 C ATOM 516 C VAL A 39 -0.311 11.498 0.510 1.00 0.00 C ATOM 517 O VAL A 39 -0.210 11.262 -0.694 1.00 0.00 O ATOM 518 CB VAL A 39 -1.433 13.698 0.152 1.00 0.00 C ATOM 519 CG1 VAL A 39 -2.711 12.889 -0.015 1.00 0.00 C ATOM 520 CG2 VAL A 39 -1.730 15.060 0.760 1.00 0.00 C ATOM 0 H VAL A 39 1.156 13.982 0.116 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.765 12.922 2.052 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.998 13.853 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.417 13.447 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.480 11.939 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.153 12.700 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.450 15.588 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.145 14.930 1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.809 15.639 0.822 1.00 0.00 H new ATOM 530 N ILE A 40 -0.335 10.545 1.435 1.00 0.00 N ATOM 531 CA ILE A 40 -0.243 9.134 1.080 1.00 0.00 C ATOM 532 C ILE A 40 -1.377 8.728 0.145 1.00 0.00 C ATOM 533 O ILE A 40 -2.521 9.145 0.322 1.00 0.00 O ATOM 534 CB ILE A 40 -0.277 8.235 2.331 1.00 0.00 C ATOM 535 CG1 ILE A 40 0.822 8.648 3.312 1.00 0.00 C ATOM 536 CG2 ILE A 40 -0.121 6.774 1.937 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.205 8.660 2.701 1.00 0.00 C ATOM 0 H ILE A 40 -0.417 10.724 2.436 1.00 0.00 H new ATOM 0 HA ILE A 40 0.711 8.998 0.571 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.242 8.358 2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.597 9.641 3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.815 7.965 4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.147 6.151 2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.935 6.488 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.831 6.635 1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.933 8.962 3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.451 7.662 2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.229 9.365 1.870 1.00 0.00 H new ATOM 549 N SER A 41 -1.051 7.909 -0.850 1.00 0.00 N ATOM 550 CA SER A 41 -2.042 7.447 -1.815 1.00 0.00 C ATOM 551 C SER A 41 -1.606 6.132 -2.454 1.00 0.00 C ATOM 552 O SER A 41 -0.430 5.940 -2.765 1.00 0.00 O ATOM 553 CB SER A 41 -2.261 8.505 -2.899 1.00 0.00 C ATOM 554 OG SER A 41 -2.605 9.755 -2.328 1.00 0.00 O ATOM 0 H SER A 41 -0.109 7.552 -1.009 1.00 0.00 H new ATOM 0 HA SER A 41 -2.979 7.280 -1.284 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.355 8.611 -3.496 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.052 8.180 -3.575 1.00 0.00 H new ATOM 0 HG SER A 41 -2.738 10.415 -3.040 1.00 0.00 H new ATOM 560 N TRP A 42 -2.561 5.230 -2.646 1.00 0.00 N ATOM 561 CA TRP A 42 -2.277 3.932 -3.247 1.00 0.00 C ATOM 562 C TRP A 42 -2.903 3.826 -4.634 1.00 0.00 C ATOM 563 O TRP A 42 -4.112 3.997 -4.795 1.00 0.00 O ATOM 564 CB TRP A 42 -2.798 2.807 -2.352 1.00 0.00 C ATOM 565 CG TRP A 42 -2.182 2.801 -0.985 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.647 3.445 0.126 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.987 2.121 -0.587 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.813 3.206 1.191 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.788 2.396 0.780 1.00 0.00 C ATOM 570 CE3 TRP A 42 -0.067 1.305 -1.251 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.294 1.884 1.492 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.006 0.799 -0.543 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.179 1.089 0.817 1.00 0.00 C ATOM 0 H TRP A 42 -3.539 5.373 -2.394 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.196 3.835 -3.348 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.880 2.901 -2.255 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.604 1.849 -2.834 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.539 4.053 0.162 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.937 3.572 2.135 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.193 1.074 -2.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.429 2.107 2.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.724 0.169 -1.047 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.028 0.677 1.342 1.00 0.00 H new ATOM 584 N LEU A 43 -2.073 3.542 -5.632 1.00 0.00 N ATOM 585 CA LEU A 43 -2.546 3.413 -7.006 1.00 0.00 C ATOM 586 C LEU A 43 -2.416 1.973 -7.493 1.00 0.00 C ATOM 587 O LEU A 43 -1.318 1.419 -7.541 1.00 0.00 O ATOM 588 CB LEU A 43 -1.759 4.348 -7.927 1.00 0.00 C ATOM 589 CG LEU A 43 -1.940 5.845 -7.676 1.00 0.00 C ATOM 590 CD1 LEU A 43 -1.039 6.653 -8.596 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.396 6.246 -7.865 1.00 0.00 C ATOM 0 H LEU A 43 -1.070 3.397 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.599 3.692 -7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.699 4.110 -7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.044 4.135 -8.957 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.657 6.058 -6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.182 7.716 -8.403 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.002 6.387 -8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.290 6.436 -9.634 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.506 7.315 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.707 6.019 -8.885 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.020 5.692 -7.164 1.00 0.00 H new ATOM 603 N LYS A 44 -3.544 1.373 -7.856 1.00 0.00 N ATOM 604 CA LYS A 44 -3.558 -0.001 -8.344 1.00 0.00 C ATOM 605 C LYS A 44 -3.466 -0.039 -9.866 1.00 0.00 C ATOM 606 O LYS A 44 -4.450 0.209 -10.562 1.00 0.00 O ATOM 607 CB LYS A 44 -4.830 -0.715 -7.881 1.00 0.00 C ATOM 608 CG LYS A 44 -4.787 -2.221 -8.075 1.00 0.00 C ATOM 609 CD LYS A 44 -6.092 -2.875 -7.654 1.00 0.00 C ATOM 610 CE LYS A 44 -5.939 -4.382 -7.509 1.00 0.00 C ATOM 611 NZ LYS A 44 -5.265 -4.750 -6.233 1.00 0.00 N ATOM 0 H LYS A 44 -4.462 1.817 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.690 -0.515 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.995 -0.498 -6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.683 -0.311 -8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.586 -2.448 -9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.965 -2.640 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.425 -2.449 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.864 -2.656 -8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.921 -4.853 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.364 -4.771 -8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.164 -5.784 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.324 -4.308 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.835 -4.416 -5.430 1.00 0.00 H new ATOM 625 N GLU A 45 -2.278 -0.353 -10.375 1.00 0.00 N ATOM 626 CA GLU A 45 -2.060 -0.424 -11.815 1.00 0.00 C ATOM 627 C GLU A 45 -2.372 0.914 -12.479 1.00 0.00 C ATOM 628 O GLU A 45 -2.810 0.961 -13.628 1.00 0.00 O ATOM 629 CB GLU A 45 -2.924 -1.526 -12.430 1.00 0.00 C ATOM 630 CG GLU A 45 -2.553 -2.923 -11.963 1.00 0.00 C ATOM 631 CD GLU A 45 -3.460 -3.992 -12.540 1.00 0.00 C ATOM 632 OE1 GLU A 45 -3.407 -4.215 -13.768 1.00 0.00 O ATOM 633 OE2 GLU A 45 -4.224 -4.605 -11.765 1.00 0.00 O ATOM 0 H GLU A 45 -1.453 -0.562 -9.812 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.009 -0.658 -11.987 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.969 -1.336 -12.185 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.838 -1.480 -13.516 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.522 -3.135 -12.247 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.599 -2.962 -10.875 1.00 0.00 H new ATOM 640 N GLY A 46 -2.145 2.000 -11.747 1.00 0.00 N ATOM 641 CA GLY A 46 -2.408 3.323 -12.280 1.00 0.00 C ATOM 642 C GLY A 46 -3.868 3.714 -12.167 1.00 0.00 C ATOM 643 O GLY A 46 -4.434 4.301 -13.090 1.00 0.00 O ATOM 0 H GLY A 46 -1.783 1.987 -10.793 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.797 4.053 -11.749 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.106 3.356 -13.327 1.00 0.00 H new ATOM 647 N PHE A 47 -4.481 3.386 -11.035 1.00 0.00 N ATOM 648 CA PHE A 47 -5.886 3.704 -10.806 1.00 0.00 C ATOM 649 C PHE A 47 -6.149 3.969 -9.326 1.00 0.00 C ATOM 650 O PHE A 47 -5.528 3.362 -8.454 1.00 0.00 O ATOM 651 CB PHE A 47 -6.776 2.561 -11.297 1.00 0.00 C ATOM 652 CG PHE A 47 -6.751 2.379 -12.788 1.00 0.00 C ATOM 653 CD1 PHE A 47 -7.445 3.246 -13.616 1.00 0.00 C ATOM 654 CD2 PHE A 47 -6.034 1.341 -13.360 1.00 0.00 C ATOM 655 CE1 PHE A 47 -7.424 3.082 -14.988 1.00 0.00 C ATOM 656 CE2 PHE A 47 -6.009 1.173 -14.732 1.00 0.00 C ATOM 657 CZ PHE A 47 -6.705 2.043 -15.547 1.00 0.00 C ATOM 0 H PHE A 47 -4.027 2.900 -10.261 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.125 4.608 -11.367 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.458 1.634 -10.821 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.802 2.748 -10.979 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.009 4.060 -13.184 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.489 0.656 -12.728 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.969 3.765 -15.623 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.445 0.361 -15.166 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.688 1.912 -16.619 1.00 0.00 H new ATOM 667 N THR A 48 -7.075 4.882 -9.051 1.00 0.00 N ATOM 668 CA THR A 48 -7.421 5.230 -7.678 1.00 0.00 C ATOM 669 C THR A 48 -7.763 3.987 -6.865 1.00 0.00 C ATOM 670 O THR A 48 -8.558 3.151 -7.295 1.00 0.00 O ATOM 671 CB THR A 48 -8.612 6.206 -7.629 1.00 0.00 C ATOM 672 OG1 THR A 48 -8.891 6.569 -6.272 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.848 5.583 -8.258 1.00 0.00 C ATOM 0 H THR A 48 -7.599 5.394 -9.761 1.00 0.00 H new ATOM 0 HA THR A 48 -6.546 5.714 -7.245 1.00 0.00 H new ATOM 0 HB THR A 48 -8.347 7.098 -8.196 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.648 7.191 -6.249 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.676 6.291 -8.212 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.641 5.335 -9.299 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.115 4.676 -7.715 1.00 0.00 H new ATOM 681 N PHE A 49 -7.159 3.871 -5.687 1.00 0.00 N ATOM 682 CA PHE A 49 -7.400 2.729 -4.813 1.00 0.00 C ATOM 683 C PHE A 49 -6.911 3.015 -3.397 1.00 0.00 C ATOM 684 O PHE A 49 -5.864 3.628 -3.186 1.00 0.00 O ATOM 685 CB PHE A 49 -6.703 1.483 -5.364 1.00 0.00 C ATOM 686 CG PHE A 49 -6.821 0.285 -4.466 1.00 0.00 C ATOM 687 CD1 PHE A 49 -5.950 0.110 -3.403 1.00 0.00 C ATOM 688 CD2 PHE A 49 -7.804 -0.668 -4.685 1.00 0.00 C ATOM 689 CE1 PHE A 49 -6.056 -0.992 -2.576 1.00 0.00 C ATOM 690 CE2 PHE A 49 -7.915 -1.772 -3.861 1.00 0.00 C ATOM 691 CZ PHE A 49 -7.041 -1.934 -2.805 1.00 0.00 C ATOM 0 H PHE A 49 -6.499 4.554 -5.316 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.475 2.550 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.127 1.240 -6.338 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.648 1.706 -5.522 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.179 0.843 -3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.491 -0.546 -5.509 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.370 -1.117 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.685 -2.507 -4.043 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.127 -2.795 -2.159 1.00 0.00 H new ATOM 701 N PRO A 50 -7.687 2.563 -2.400 1.00 0.00 N ATOM 702 CA PRO A 50 -8.936 1.833 -2.639 1.00 0.00 C ATOM 703 C PRO A 50 -10.028 2.727 -3.215 1.00 0.00 C ATOM 704 O PRO A 50 -10.850 2.282 -4.016 1.00 0.00 O ATOM 705 CB PRO A 50 -9.329 1.338 -1.245 1.00 0.00 C ATOM 706 CG PRO A 50 -8.687 2.301 -0.306 1.00 0.00 C ATOM 707 CD PRO A 50 -7.405 2.728 -0.965 1.00 0.00 C ATOM 0 HA PRO A 50 -8.809 1.034 -3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.412 1.325 -1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.976 0.321 -1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.335 3.158 -0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.493 1.834 0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.152 3.760 -0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.565 2.111 -0.647 1.00 0.00 H new ATOM 715 N GLY A 51 -10.031 3.991 -2.802 1.00 0.00 N ATOM 716 CA GLY A 51 -11.028 4.927 -3.288 1.00 0.00 C ATOM 717 C GLY A 51 -12.423 4.599 -2.794 1.00 0.00 C ATOM 718 O GLY A 51 -12.901 5.191 -1.827 1.00 0.00 O ATOM 0 H GLY A 51 -9.361 4.383 -2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.761 5.935 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.022 4.925 -4.378 1.00 0.00 H new ATOM 772 N ARG A 55 -14.111 -3.046 2.284 1.00 0.00 N ATOM 773 CA ARG A 55 -13.122 -3.954 2.852 1.00 0.00 C ATOM 774 C ARG A 55 -11.761 -3.275 2.962 1.00 0.00 C ATOM 775 O ARG A 55 -11.090 -3.368 3.990 1.00 0.00 O ATOM 776 CB ARG A 55 -13.006 -5.217 1.997 1.00 0.00 C ATOM 777 CG ARG A 55 -14.294 -6.021 1.920 1.00 0.00 C ATOM 778 CD ARG A 55 -14.095 -7.320 1.156 1.00 0.00 C ATOM 779 NE ARG A 55 -13.698 -7.085 -0.230 1.00 0.00 N ATOM 780 CZ ARG A 55 -13.627 -8.043 -1.147 1.00 0.00 C ATOM 781 NH1 ARG A 55 -13.925 -9.295 -0.827 1.00 0.00 N ATOM 782 NH2 ARG A 55 -13.258 -7.750 -2.388 1.00 0.00 N ATOM 0 HA ARG A 55 -13.453 -4.231 3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.702 -4.936 0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.217 -5.849 2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.648 -6.241 2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.067 -5.426 1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.334 -7.920 1.654 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.019 -7.897 1.175 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.462 -6.133 -0.509 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.210 -9.524 0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.870 -10.029 -1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.029 -6.788 -2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.204 -8.487 -3.091 1.00 0.00 H new ATOM 796 N ALA A 56 -11.358 -2.591 1.896 1.00 0.00 N ATOM 797 CA ALA A 56 -10.078 -1.895 1.873 1.00 0.00 C ATOM 798 C ALA A 56 -10.164 -0.563 2.612 1.00 0.00 C ATOM 799 O ALA A 56 -11.192 0.114 2.576 1.00 0.00 O ATOM 800 CB ALA A 56 -9.622 -1.676 0.438 1.00 0.00 C ATOM 0 H ALA A 56 -11.900 -2.504 1.037 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.344 -2.518 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.665 -1.155 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.512 -2.639 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.362 -1.076 -0.092 1.00 0.00 H new ATOM 806 N THR A 57 -9.078 -0.193 3.283 1.00 0.00 N ATOM 807 CA THR A 57 -9.031 1.056 4.032 1.00 0.00 C ATOM 808 C THR A 57 -7.598 1.422 4.402 1.00 0.00 C ATOM 809 O THR A 57 -6.680 0.618 4.238 1.00 0.00 O ATOM 810 CB THR A 57 -9.876 0.972 5.318 1.00 0.00 C ATOM 811 OG1 THR A 57 -9.881 2.240 5.984 1.00 0.00 O ATOM 812 CG2 THR A 57 -9.332 -0.097 6.254 1.00 0.00 C ATOM 0 H THR A 57 -8.219 -0.741 3.323 1.00 0.00 H new ATOM 0 HA THR A 57 -9.444 1.829 3.384 1.00 0.00 H new ATOM 0 HB THR A 57 -10.895 0.704 5.040 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.421 2.179 6.799 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.944 -0.138 7.155 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.357 -1.065 5.754 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.304 0.145 6.525 1.00 0.00 H new ATOM 820 N ILE A 58 -7.414 2.639 4.903 1.00 0.00 N ATOM 821 CA ILE A 58 -6.092 3.110 5.298 1.00 0.00 C ATOM 822 C ILE A 58 -6.113 3.684 6.711 1.00 0.00 C ATOM 823 O ILE A 58 -7.035 4.409 7.082 1.00 0.00 O ATOM 824 CB ILE A 58 -5.563 4.182 4.328 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.511 3.629 2.902 1.00 0.00 C ATOM 826 CG2 ILE A 58 -4.187 4.661 4.766 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.458 4.703 1.839 1.00 0.00 C ATOM 0 H ILE A 58 -8.163 3.316 5.045 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.427 2.247 5.269 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.244 5.033 4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.636 2.987 2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.387 3.003 2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.827 5.419 4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.252 5.089 5.766 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.495 3.819 4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.423 4.238 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.345 5.332 1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.567 5.315 1.984 1.00 0.00 H new ATOM 888 N GLY A 62 -0.876 5.740 7.182 1.00 0.00 N ATOM 889 CA GLY A 62 -0.863 5.323 5.792 1.00 0.00 C ATOM 890 C GLY A 62 -0.688 3.826 5.637 1.00 0.00 C ATOM 891 O GLY A 62 0.130 3.367 4.840 1.00 0.00 O ATOM 0 HA2 GLY A 62 -1.795 5.628 5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.055 5.836 5.270 1.00 0.00 H new ATOM 895 N THR A 63 -1.458 3.059 6.403 1.00 0.00 N ATOM 896 CA THR A 63 -1.383 1.605 6.350 1.00 0.00 C ATOM 897 C THR A 63 -2.567 1.020 5.588 1.00 0.00 C ATOM 898 O THR A 63 -3.695 1.016 6.081 1.00 0.00 O ATOM 899 CB THR A 63 -1.343 0.992 7.763 1.00 0.00 C ATOM 900 OG1 THR A 63 -0.228 1.515 8.492 1.00 0.00 O ATOM 901 CG2 THR A 63 -1.244 -0.524 7.692 1.00 0.00 C ATOM 0 H THR A 63 -2.141 3.422 7.068 1.00 0.00 H new ATOM 0 HA THR A 63 -0.459 1.356 5.828 1.00 0.00 H new ATOM 0 HB THR A 63 -2.268 1.256 8.276 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.211 1.122 9.390 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.217 -0.935 8.701 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.110 -0.921 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.334 -0.805 7.162 1.00 0.00 H new ATOM 909 N LEU A 64 -2.303 0.526 4.383 1.00 0.00 N ATOM 910 CA LEU A 64 -3.347 -0.063 3.552 1.00 0.00 C ATOM 911 C LEU A 64 -3.680 -1.477 4.016 1.00 0.00 C ATOM 912 O LEU A 64 -2.871 -2.393 3.872 1.00 0.00 O ATOM 913 CB LEU A 64 -2.909 -0.084 2.087 1.00 0.00 C ATOM 914 CG LEU A 64 -4.029 0.015 1.050 1.00 0.00 C ATOM 915 CD1 LEU A 64 -3.463 -0.087 -0.358 1.00 0.00 C ATOM 916 CD2 LEU A 64 -5.072 -1.067 1.287 1.00 0.00 C ATOM 0 H LEU A 64 -1.375 0.522 3.960 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.243 0.551 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.216 0.741 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.355 -1.005 1.907 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.512 0.987 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.274 -0.015 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.754 0.724 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.954 -1.044 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.861 -0.981 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.603 -2.048 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.500 -0.948 2.282 1.00 0.00 H new ATOM 928 N GLN A 65 -4.875 -1.647 4.572 1.00 0.00 N ATOM 929 CA GLN A 65 -5.315 -2.950 5.055 1.00 0.00 C ATOM 930 C GLN A 65 -6.467 -3.484 4.210 1.00 0.00 C ATOM 931 O GLN A 65 -7.516 -2.849 4.102 1.00 0.00 O ATOM 932 CB GLN A 65 -5.742 -2.857 6.521 1.00 0.00 C ATOM 933 CG GLN A 65 -6.169 -4.188 7.116 1.00 0.00 C ATOM 934 CD GLN A 65 -6.961 -4.027 8.399 1.00 0.00 C ATOM 935 OE1 GLN A 65 -6.709 -3.116 9.187 1.00 0.00 O ATOM 936 NE2 GLN A 65 -7.926 -4.913 8.614 1.00 0.00 N ATOM 0 H GLN A 65 -5.556 -0.898 4.699 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.477 -3.642 4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.915 -2.455 7.107 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.567 -2.149 6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.771 -4.731 6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.285 -4.794 7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.100 -5.652 7.933 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.493 -4.854 9.460 1.00 0.00 H new ATOM 945 N ILE A 66 -6.264 -4.654 3.614 1.00 0.00 N ATOM 946 CA ILE A 66 -7.286 -5.273 2.780 1.00 0.00 C ATOM 947 C ILE A 66 -7.618 -6.679 3.268 1.00 0.00 C ATOM 948 O ILE A 66 -6.739 -7.535 3.374 1.00 0.00 O ATOM 949 CB ILE A 66 -6.844 -5.345 1.306 1.00 0.00 C ATOM 950 CG1 ILE A 66 -6.306 -3.988 0.846 1.00 0.00 C ATOM 951 CG2 ILE A 66 -8.002 -5.787 0.426 1.00 0.00 C ATOM 952 CD1 ILE A 66 -5.321 -4.085 -0.298 1.00 0.00 C ATOM 0 H ILE A 66 -5.401 -5.192 3.693 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.174 -4.646 2.854 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.045 -6.081 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.142 -3.359 0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.824 -3.493 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.673 -5.833 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.344 -6.773 0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.821 -5.073 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.982 -3.086 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.466 -4.688 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.805 -4.551 -1.156 1.00 0.00 H new ATOM 964 N LYS A 67 -8.892 -6.912 3.563 1.00 0.00 N ATOM 965 CA LYS A 67 -9.342 -8.215 4.037 1.00 0.00 C ATOM 966 C LYS A 67 -10.004 -9.005 2.913 1.00 0.00 C ATOM 967 O LYS A 67 -10.491 -8.429 1.941 1.00 0.00 O ATOM 968 CB LYS A 67 -10.321 -8.047 5.202 1.00 0.00 C ATOM 969 CG LYS A 67 -9.655 -7.625 6.500 1.00 0.00 C ATOM 970 CD LYS A 67 -10.609 -7.734 7.677 1.00 0.00 C ATOM 971 CE LYS A 67 -11.395 -6.447 7.878 1.00 0.00 C ATOM 972 NZ LYS A 67 -12.462 -6.284 6.852 1.00 0.00 N ATOM 0 H LYS A 67 -9.632 -6.215 3.482 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.469 -8.769 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.072 -7.305 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.847 -8.988 5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.780 -8.249 6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.301 -6.598 6.411 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.299 -8.561 7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.047 -7.964 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.843 -6.446 8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.716 -5.596 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.269 -5.777 7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.090 -5.741 6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.774 -7.220 6.523 1.00 0.00 H new ATOM 986 N ASN A 68 -10.021 -10.326 3.053 1.00 0.00 N ATOM 987 CA ASN A 68 -10.625 -11.194 2.049 1.00 0.00 C ATOM 988 C ASN A 68 -9.906 -11.059 0.710 1.00 0.00 C ATOM 989 O ASN A 68 -10.541 -10.947 -0.340 1.00 0.00 O ATOM 990 CB ASN A 68 -12.108 -10.859 1.881 1.00 0.00 C ATOM 991 CG ASN A 68 -12.875 -11.967 1.184 1.00 0.00 C ATOM 992 OD1 ASN A 68 -13.447 -11.762 0.113 1.00 0.00 O ATOM 993 ND2 ASN A 68 -12.892 -13.147 1.792 1.00 0.00 N ATOM 0 H ASN A 68 -9.623 -10.819 3.852 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.529 -12.225 2.390 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.550 -10.675 2.860 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.207 -9.937 1.309 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.393 -13.930 1.372 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.404 -13.271 2.679 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.579 -11.071 0.753 1.00 0.00 N ATOM 1001 CA LEU A 69 -7.772 -10.951 -0.457 1.00 0.00 C ATOM 1002 C LEU A 69 -8.306 -11.860 -1.559 1.00 0.00 C ATOM 1003 O LEU A 69 -9.189 -12.685 -1.324 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.313 -11.296 -0.157 1.00 0.00 C ATOM 1005 CG LEU A 69 -5.599 -10.385 0.842 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.341 -11.055 1.372 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.262 -9.048 0.198 1.00 0.00 C ATOM 0 H LEU A 69 -8.038 -11.163 1.613 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.830 -9.919 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.273 -12.318 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.757 -11.280 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.270 -10.203 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.847 -10.391 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.608 -11.986 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.666 -11.268 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.754 -8.412 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.610 -9.212 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.180 -8.561 -0.131 1.00 0.00 H new ATOM 1019 N ARG A 70 -7.762 -11.704 -2.762 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.182 -12.512 -3.901 1.00 0.00 C ATOM 1021 C ARG A 70 -7.053 -12.648 -4.917 1.00 0.00 C ATOM 1022 O ARG A 70 -6.284 -11.711 -5.135 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.411 -11.890 -4.568 1.00 0.00 C ATOM 1024 CG ARG A 70 -10.642 -11.867 -3.676 1.00 0.00 C ATOM 1025 CD ARG A 70 -11.922 -11.831 -4.495 1.00 0.00 C ATOM 1026 NE ARG A 70 -13.113 -11.918 -3.653 1.00 0.00 N ATOM 1027 CZ ARG A 70 -14.287 -12.365 -4.084 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -14.427 -12.764 -5.341 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -15.324 -12.413 -3.258 1.00 0.00 N ATOM 0 H ARG A 70 -7.030 -11.026 -2.973 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.439 -13.506 -3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.173 -10.870 -4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.641 -12.446 -5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.644 -12.748 -3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.603 -10.996 -3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.955 -10.909 -5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.920 -12.656 -5.207 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.039 -11.619 -2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.632 -12.728 -5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.330 -13.107 -5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.220 -12.106 -2.291 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.225 -12.756 -3.590 1.00 0.00 H new ATOM 1043 N ILE A 71 -6.959 -13.820 -5.536 1.00 0.00 N ATOM 1044 CA ILE A 71 -5.924 -14.078 -6.529 1.00 0.00 C ATOM 1045 C ILE A 71 -5.916 -13.000 -7.608 1.00 0.00 C ATOM 1046 O ILE A 71 -4.919 -12.810 -8.303 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.113 -15.454 -7.195 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.115 -16.560 -6.138 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.019 -15.699 -8.223 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -4.770 -16.771 -5.480 1.00 0.00 C ATOM 0 H ILE A 71 -7.587 -14.606 -5.367 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.971 -14.067 -6.001 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.075 -15.465 -7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.851 -16.317 -5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.434 -17.494 -6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.166 -16.675 -8.685 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.060 -14.925 -8.989 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.046 -15.673 -7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.847 -17.570 -4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.034 -17.045 -6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.458 -15.850 -4.987 1.00 0.00 H new ATOM 1062 N SER A 72 -7.036 -12.297 -7.741 1.00 0.00 N ATOM 1063 CA SER A 72 -7.160 -11.239 -8.737 1.00 0.00 C ATOM 1064 C SER A 72 -6.595 -9.924 -8.206 1.00 0.00 C ATOM 1065 O SER A 72 -6.113 -9.089 -8.972 1.00 0.00 O ATOM 1066 CB SER A 72 -8.626 -11.053 -9.136 1.00 0.00 C ATOM 1067 OG SER A 72 -8.738 -10.297 -10.328 1.00 0.00 O ATOM 0 H SER A 72 -7.870 -12.441 -7.172 1.00 0.00 H new ATOM 0 HA SER A 72 -6.586 -11.533 -9.616 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.095 -12.027 -9.274 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.164 -10.551 -8.332 1.00 0.00 H new ATOM 0 HG SER A 72 -9.684 -10.194 -10.562 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.660 -9.748 -6.891 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.155 -8.536 -6.257 1.00 0.00 C ATOM 1075 C ASP A 73 -4.695 -8.296 -6.629 1.00 0.00 C ATOM 1076 O ASP A 73 -4.265 -7.153 -6.794 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.296 -8.634 -4.737 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.720 -8.401 -4.271 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.474 -7.713 -4.991 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -8.081 -8.906 -3.187 1.00 0.00 O ATOM 0 H ASP A 73 -7.057 -10.429 -6.244 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.747 -7.694 -6.616 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.966 -9.619 -4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.639 -7.903 -4.266 1.00 0.00 H new ATOM 1085 N THR A 74 -3.937 -9.379 -6.761 1.00 0.00 N ATOM 1086 CA THR A 74 -2.525 -9.286 -7.112 1.00 0.00 C ATOM 1087 C THR A 74 -2.286 -8.189 -8.143 1.00 0.00 C ATOM 1088 O THR A 74 -2.774 -8.265 -9.270 1.00 0.00 O ATOM 1089 CB THR A 74 -1.996 -10.621 -7.669 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.066 -11.635 -6.659 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.560 -10.476 -8.149 1.00 0.00 C ATOM 0 H THR A 74 -4.277 -10.332 -6.630 1.00 0.00 H new ATOM 0 HA THR A 74 -1.987 -9.044 -6.196 1.00 0.00 H new ATOM 0 HB THR A 74 -2.619 -10.908 -8.516 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.618 -12.378 -6.979 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.208 -11.432 -8.538 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.514 -9.724 -8.937 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.073 -10.168 -7.316 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.531 -7.168 -7.749 1.00 0.00 N ATOM 1100 CA GLY A 75 -1.241 -6.069 -8.652 1.00 0.00 C ATOM 1101 C GLY A 75 -0.039 -5.258 -8.209 1.00 0.00 C ATOM 1102 O GLY A 75 0.695 -5.662 -7.307 1.00 0.00 O ATOM 0 H GLY A 75 -1.115 -7.082 -6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.062 -6.462 -9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.112 -5.417 -8.717 1.00 0.00 H new ATOM 1106 N THR A 76 0.165 -4.109 -8.846 1.00 0.00 N ATOM 1107 CA THR A 76 1.287 -3.240 -8.515 1.00 0.00 C ATOM 1108 C THR A 76 0.833 -2.049 -7.679 1.00 0.00 C ATOM 1109 O THR A 76 0.126 -1.167 -8.169 1.00 0.00 O ATOM 1110 CB THR A 76 1.990 -2.723 -9.784 1.00 0.00 C ATOM 1111 OG1 THR A 76 2.150 -3.790 -10.725 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.350 -2.130 -9.446 1.00 0.00 C ATOM 0 H THR A 76 -0.433 -3.759 -9.595 1.00 0.00 H new ATOM 0 HA THR A 76 1.990 -3.839 -7.937 1.00 0.00 H new ATOM 0 HB THR A 76 1.370 -1.942 -10.223 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.596 -3.452 -11.530 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.827 -1.772 -10.358 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.222 -1.299 -8.752 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.976 -2.894 -8.985 1.00 0.00 H new ATOM 1120 N TYR A 77 1.242 -2.028 -6.416 1.00 0.00 N ATOM 1121 CA TYR A 77 0.876 -0.946 -5.510 1.00 0.00 C ATOM 1122 C TYR A 77 1.917 0.169 -5.544 1.00 0.00 C ATOM 1123 O TYR A 77 3.121 -0.089 -5.559 1.00 0.00 O ATOM 1124 CB TYR A 77 0.725 -1.475 -4.083 1.00 0.00 C ATOM 1125 CG TYR A 77 -0.578 -2.202 -3.841 1.00 0.00 C ATOM 1126 CD1 TYR A 77 -1.778 -1.507 -3.750 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.610 -3.584 -3.703 1.00 0.00 C ATOM 1128 CE1 TYR A 77 -2.971 -2.167 -3.528 1.00 0.00 C ATOM 1129 CE2 TYR A 77 -1.799 -4.253 -3.483 1.00 0.00 C ATOM 1130 CZ TYR A 77 -2.976 -3.540 -3.396 1.00 0.00 C ATOM 1131 OH TYR A 77 -4.162 -4.202 -3.175 1.00 0.00 O ATOM 0 H TYR A 77 1.828 -2.749 -5.996 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.079 -0.537 -5.841 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.553 -2.149 -3.865 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.801 -0.641 -3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.778 -0.432 -3.855 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.310 -4.145 -3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.894 -1.611 -3.458 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.806 -5.328 -3.380 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.894 -3.553 -3.123 1.00 0.00 H new ATOM 1141 N THR A 78 1.444 1.411 -5.556 1.00 0.00 N ATOM 1142 CA THR A 78 2.331 2.567 -5.589 1.00 0.00 C ATOM 1143 C THR A 78 1.919 3.606 -4.552 1.00 0.00 C ATOM 1144 O THR A 78 0.941 4.330 -4.738 1.00 0.00 O ATOM 1145 CB THR A 78 2.345 3.225 -6.981 1.00 0.00 C ATOM 1146 OG1 THR A 78 2.858 2.307 -7.953 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.192 4.489 -6.974 1.00 0.00 C ATOM 0 H THR A 78 0.451 1.642 -5.543 1.00 0.00 H new ATOM 0 HA THR A 78 3.332 2.204 -5.357 1.00 0.00 H new ATOM 0 HB THR A 78 1.321 3.494 -7.241 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.862 2.733 -8.835 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.187 4.936 -7.968 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.782 5.198 -6.255 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.215 4.240 -6.694 1.00 0.00 H new ATOM 1155 N CYS A 79 2.673 3.676 -3.460 1.00 0.00 N ATOM 1156 CA CYS A 79 2.387 4.626 -2.392 1.00 0.00 C ATOM 1157 C CYS A 79 2.926 6.011 -2.739 1.00 0.00 C ATOM 1158 O CYS A 79 4.105 6.300 -2.531 1.00 0.00 O ATOM 1159 CB CYS A 79 2.996 4.144 -1.075 1.00 0.00 C ATOM 1160 SG CYS A 79 2.318 4.966 0.403 1.00 0.00 S ATOM 0 H CYS A 79 3.487 3.085 -3.292 1.00 0.00 H new ATOM 0 HA CYS A 79 1.305 4.694 -2.279 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.837 3.069 -0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.074 4.305 -1.105 1.00 0.00 H new ATOM 1165 N VAL A 80 2.055 6.864 -3.268 1.00 0.00 N ATOM 1166 CA VAL A 80 2.443 8.219 -3.642 1.00 0.00 C ATOM 1167 C VAL A 80 2.306 9.175 -2.463 1.00 0.00 C ATOM 1168 O VAL A 80 1.291 9.176 -1.766 1.00 0.00 O ATOM 1169 CB VAL A 80 1.592 8.743 -4.815 1.00 0.00 C ATOM 1170 CG1 VAL A 80 2.182 10.031 -5.369 1.00 0.00 C ATOM 1171 CG2 VAL A 80 1.480 7.687 -5.904 1.00 0.00 C ATOM 0 H VAL A 80 1.076 6.641 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 80 3.487 8.175 -3.951 1.00 0.00 H new ATOM 0 HB VAL A 80 0.590 8.960 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.568 10.386 -6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.206 10.787 -4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.196 9.844 -5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.876 8.073 -6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.475 7.437 -6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.009 6.793 -5.496 1.00 0.00 H new ATOM 1181 N ALA A 81 3.333 9.989 -2.245 1.00 0.00 N ATOM 1182 CA ALA A 81 3.327 10.953 -1.152 1.00 0.00 C ATOM 1183 C ALA A 81 3.657 12.355 -1.653 1.00 0.00 C ATOM 1184 O ALA A 81 4.798 12.809 -1.554 1.00 0.00 O ATOM 1185 CB ALA A 81 4.311 10.531 -0.071 1.00 0.00 C ATOM 0 H ALA A 81 4.181 10.000 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 81 2.324 10.975 -0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.296 11.260 0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.028 9.552 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.315 10.478 -0.493 1.00 0.00 H new ATOM 1191 N THR A 82 2.652 13.037 -2.193 1.00 0.00 N ATOM 1192 CA THR A 82 2.837 14.387 -2.712 1.00 0.00 C ATOM 1193 C THR A 82 2.778 15.419 -1.592 1.00 0.00 C ATOM 1194 O THR A 82 1.889 15.377 -0.741 1.00 0.00 O ATOM 1195 CB THR A 82 1.771 14.732 -3.769 1.00 0.00 C ATOM 1196 OG1 THR A 82 1.720 13.706 -4.767 1.00 0.00 O ATOM 1197 CG2 THR A 82 2.075 16.071 -4.426 1.00 0.00 C ATOM 0 H THR A 82 1.702 12.677 -2.282 1.00 0.00 H new ATOM 0 HA THR A 82 3.822 14.415 -3.177 1.00 0.00 H new ATOM 0 HB THR A 82 0.804 14.800 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.039 13.932 -5.434 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.309 16.294 -5.169 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.084 16.854 -3.668 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.049 16.025 -4.912 1.00 0.00 H new ATOM 1205 N SER A 83 3.730 16.346 -1.597 1.00 0.00 N ATOM 1206 CA SER A 83 3.788 17.389 -0.579 1.00 0.00 C ATOM 1207 C SER A 83 4.069 18.749 -1.210 1.00 0.00 C ATOM 1208 O SER A 83 4.717 18.841 -2.252 1.00 0.00 O ATOM 1209 CB SER A 83 4.867 17.061 0.455 1.00 0.00 C ATOM 1210 OG SER A 83 6.128 16.877 -0.164 1.00 0.00 O ATOM 0 H SER A 83 4.472 16.396 -2.295 1.00 0.00 H new ATOM 0 HA SER A 83 2.819 17.432 -0.082 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.931 17.867 1.186 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.591 16.158 1.000 1.00 0.00 H new ATOM 0 HG SER A 83 6.826 16.829 0.523 1.00 0.00 H new ATOM 1216 N SER A 84 3.576 19.804 -0.569 1.00 0.00 N ATOM 1217 CA SER A 84 3.770 21.161 -1.068 1.00 0.00 C ATOM 1218 C SER A 84 5.160 21.323 -1.675 1.00 0.00 C ATOM 1219 O SER A 84 5.347 22.068 -2.637 1.00 0.00 O ATOM 1220 CB SER A 84 3.572 22.175 0.060 1.00 0.00 C ATOM 1221 OG SER A 84 3.189 23.440 -0.453 1.00 0.00 O ATOM 0 H SER A 84 3.040 19.745 0.297 1.00 0.00 H new ATOM 0 HA SER A 84 3.029 21.345 -1.846 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.809 21.813 0.749 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.496 22.275 0.630 1.00 0.00 H new ATOM 0 HG SER A 84 3.067 24.070 0.288 1.00 0.00 H new ATOM 1227 N SER A 85 6.134 20.619 -1.105 1.00 0.00 N ATOM 1228 CA SER A 85 7.508 20.687 -1.586 1.00 0.00 C ATOM 1229 C SER A 85 7.637 20.033 -2.959 1.00 0.00 C ATOM 1230 O SER A 85 7.793 20.714 -3.971 1.00 0.00 O ATOM 1231 CB SER A 85 8.453 20.006 -0.594 1.00 0.00 C ATOM 1232 OG SER A 85 8.862 20.907 0.421 1.00 0.00 O ATOM 0 H SER A 85 5.996 19.995 -0.310 1.00 0.00 H new ATOM 0 HA SER A 85 7.783 21.738 -1.676 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.955 19.147 -0.143 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.328 19.627 -1.122 1.00 0.00 H new ATOM 0 HG SER A 85 9.464 20.448 1.043 1.00 0.00 H new ATOM 1238 N GLY A 86 7.570 18.705 -2.983 1.00 0.00 N ATOM 1239 CA GLY A 86 7.681 17.980 -4.235 1.00 0.00 C ATOM 1240 C GLY A 86 6.729 16.802 -4.309 1.00 0.00 C ATOM 1241 O GLY A 86 5.580 16.898 -3.879 1.00 0.00 O ATOM 0 H GLY A 86 7.441 18.119 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.479 18.659 -5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.704 17.624 -4.356 1.00 0.00 H new ATOM 1245 N GLU A 87 7.207 15.690 -4.857 1.00 0.00 N ATOM 1246 CA GLU A 87 6.389 14.490 -4.988 1.00 0.00 C ATOM 1247 C GLU A 87 7.260 13.238 -5.017 1.00 0.00 C ATOM 1248 O GLU A 87 8.404 13.273 -5.472 1.00 0.00 O ATOM 1249 CB GLU A 87 5.538 14.562 -6.257 1.00 0.00 C ATOM 1250 CG GLU A 87 5.106 13.202 -6.779 1.00 0.00 C ATOM 1251 CD GLU A 87 6.246 12.434 -7.418 1.00 0.00 C ATOM 1252 OE1 GLU A 87 6.931 13.005 -8.292 1.00 0.00 O ATOM 1253 OE2 GLU A 87 6.454 11.261 -7.043 1.00 0.00 O ATOM 0 H GLU A 87 8.156 15.595 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 87 5.731 14.434 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.651 15.163 -6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.103 15.077 -7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.693 12.616 -5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.307 13.334 -7.509 1.00 0.00 H new ATOM 1260 N THR A 88 6.711 12.131 -4.526 1.00 0.00 N ATOM 1261 CA THR A 88 7.437 10.867 -4.494 1.00 0.00 C ATOM 1262 C THR A 88 6.479 9.682 -4.493 1.00 0.00 C ATOM 1263 O THR A 88 5.292 9.831 -4.201 1.00 0.00 O ATOM 1264 CB THR A 88 8.350 10.775 -3.257 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.414 9.849 -3.500 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.560 10.338 -2.033 1.00 0.00 C ATOM 0 H THR A 88 5.766 12.084 -4.145 1.00 0.00 H new ATOM 0 HA THR A 88 8.051 10.833 -5.394 1.00 0.00 H new ATOM 0 HB THR A 88 8.767 11.764 -3.067 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.990 9.798 -2.709 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.226 10.280 -1.172 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.770 11.061 -1.833 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.118 9.359 -2.216 1.00 0.00 H new ATOM 1274 N SER A 89 7.001 8.504 -4.821 1.00 0.00 N ATOM 1275 CA SER A 89 6.189 7.293 -4.860 1.00 0.00 C ATOM 1276 C SER A 89 7.059 6.051 -4.687 1.00 0.00 C ATOM 1277 O SER A 89 8.247 6.063 -5.007 1.00 0.00 O ATOM 1278 CB SER A 89 5.422 7.211 -6.181 1.00 0.00 C ATOM 1279 OG SER A 89 5.117 8.504 -6.675 1.00 0.00 O ATOM 0 H SER A 89 7.982 8.363 -5.063 1.00 0.00 H new ATOM 0 HA SER A 89 5.477 7.335 -4.036 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.015 6.668 -6.917 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.501 6.647 -6.036 1.00 0.00 H new ATOM 0 HG SER A 89 4.628 8.424 -7.521 1.00 0.00 H new ATOM 1285 N TRP A 90 6.457 4.983 -4.178 1.00 0.00 N ATOM 1286 CA TRP A 90 7.175 3.732 -3.961 1.00 0.00 C ATOM 1287 C TRP A 90 6.723 2.666 -4.953 1.00 0.00 C ATOM 1288 O TRP A 90 5.800 2.885 -5.737 1.00 0.00 O ATOM 1289 CB TRP A 90 6.960 3.238 -2.529 1.00 0.00 C ATOM 1290 CG TRP A 90 8.107 2.432 -2.000 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.195 1.071 -1.942 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.330 2.938 -1.453 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.398 0.700 -1.392 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.113 1.827 -1.084 1.00 0.00 C ATOM 1295 CE3 TRP A 90 9.840 4.222 -1.240 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.376 1.963 -0.514 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.093 4.355 -0.674 1.00 0.00 C ATOM 1298 CH2 TRP A 90 11.850 3.231 -0.317 1.00 0.00 C ATOM 0 H TRP A 90 5.474 4.958 -3.908 1.00 0.00 H new ATOM 0 HA TRP A 90 8.237 3.920 -4.117 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.797 4.096 -1.877 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.054 2.634 -2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.431 0.386 -2.279 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.708 -0.259 -1.238 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.265 5.094 -1.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.961 1.098 -0.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.496 5.342 -0.504 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.827 3.369 0.122 1.00 0.00 H new ATOM 1309 N SER A 91 7.380 1.510 -4.913 1.00 0.00 N ATOM 1310 CA SER A 91 7.047 0.411 -5.812 1.00 0.00 C ATOM 1311 C SER A 91 7.028 -0.917 -5.061 1.00 0.00 C ATOM 1312 O SER A 91 7.989 -1.270 -4.378 1.00 0.00 O ATOM 1313 CB SER A 91 8.052 0.345 -6.964 1.00 0.00 C ATOM 1314 OG SER A 91 9.311 -0.124 -6.516 1.00 0.00 O ATOM 0 H SER A 91 8.145 1.311 -4.268 1.00 0.00 H new ATOM 0 HA SER A 91 6.052 0.593 -6.218 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.672 -0.314 -7.745 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.166 1.334 -7.408 1.00 0.00 H new ATOM 0 HG SER A 91 9.215 -0.516 -5.623 1.00 0.00 H new ATOM 1320 N ALA A 92 5.927 -1.649 -5.194 1.00 0.00 N ATOM 1321 CA ALA A 92 5.782 -2.939 -4.531 1.00 0.00 C ATOM 1322 C ALA A 92 4.657 -3.755 -5.158 1.00 0.00 C ATOM 1323 O ALA A 92 3.654 -3.204 -5.610 1.00 0.00 O ATOM 1324 CB ALA A 92 5.529 -2.742 -3.044 1.00 0.00 C ATOM 0 H ALA A 92 5.122 -1.371 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 92 6.712 -3.493 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.423 -3.713 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.368 -2.206 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.615 -2.165 -2.904 1.00 0.00 H new ATOM 1330 N VAL A 93 4.832 -5.073 -5.184 1.00 0.00 N ATOM 1331 CA VAL A 93 3.830 -5.966 -5.755 1.00 0.00 C ATOM 1332 C VAL A 93 3.380 -7.008 -4.739 1.00 0.00 C ATOM 1333 O VAL A 93 4.203 -7.665 -4.099 1.00 0.00 O ATOM 1334 CB VAL A 93 4.368 -6.684 -7.007 1.00 0.00 C ATOM 1335 CG1 VAL A 93 3.320 -7.629 -7.573 1.00 0.00 C ATOM 1336 CG2 VAL A 93 4.806 -5.672 -8.055 1.00 0.00 C ATOM 0 H VAL A 93 5.658 -5.546 -4.816 1.00 0.00 H new ATOM 0 HA VAL A 93 2.978 -5.347 -6.037 1.00 0.00 H new ATOM 0 HB VAL A 93 5.238 -7.275 -6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.719 -8.127 -8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.060 -8.375 -6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.429 -7.063 -7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.183 -6.197 -8.933 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.956 -5.053 -8.340 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.593 -5.040 -7.644 1.00 0.00 H new ATOM 1346 N LEU A 94 2.067 -7.157 -4.594 1.00 0.00 N ATOM 1347 CA LEU A 94 1.505 -8.121 -3.655 1.00 0.00 C ATOM 1348 C LEU A 94 1.068 -9.392 -4.376 1.00 0.00 C ATOM 1349 O LEU A 94 -0.023 -9.452 -4.943 1.00 0.00 O ATOM 1350 CB LEU A 94 0.316 -7.507 -2.914 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.558 -8.482 -2.123 1.00 0.00 C ATOM 1352 CD1 LEU A 94 0.103 -8.840 -0.801 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -1.939 -7.889 -1.888 1.00 0.00 C ATOM 0 H LEU A 94 1.372 -6.622 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 94 2.279 -8.382 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.693 -6.749 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.313 -6.993 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.671 -9.395 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.533 -9.534 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.069 -9.307 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.248 -7.936 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.547 -8.596 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.845 -6.961 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.415 -7.685 -2.847 1.00 0.00 H new ATOM 1365 N ASP A 95 1.926 -10.406 -4.348 1.00 0.00 N ATOM 1366 CA ASP A 95 1.627 -11.678 -4.996 1.00 0.00 C ATOM 1367 C ASP A 95 0.695 -12.522 -4.133 1.00 0.00 C ATOM 1368 O ASP A 95 1.083 -13.003 -3.068 1.00 0.00 O ATOM 1369 CB ASP A 95 2.919 -12.448 -5.277 1.00 0.00 C ATOM 1370 CG ASP A 95 3.524 -12.092 -6.620 1.00 0.00 C ATOM 1371 OD1 ASP A 95 2.949 -12.490 -7.654 1.00 0.00 O ATOM 1372 OD2 ASP A 95 4.575 -11.416 -6.638 1.00 0.00 O ATOM 0 H ASP A 95 2.834 -10.372 -3.884 1.00 0.00 H new ATOM 0 HA ASP A 95 1.126 -11.467 -5.941 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.642 -12.238 -4.489 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.715 -13.518 -5.246 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.538 -12.697 -4.599 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.526 -13.483 -3.870 1.00 0.00 C ATOM 1379 C VAL A 96 -1.620 -14.900 -4.424 1.00 0.00 C ATOM 1380 O VAL A 96 -1.951 -15.101 -5.593 1.00 0.00 O ATOM 1381 CB VAL A 96 -2.919 -12.828 -3.928 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -3.949 -13.699 -3.226 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -2.878 -11.436 -3.315 1.00 0.00 C ATOM 0 H VAL A 96 -0.876 -12.305 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.194 -13.523 -2.833 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.213 -12.732 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.927 -13.220 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.996 -14.672 -3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.664 -13.830 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.870 -10.987 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.563 -11.506 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.172 -10.816 -3.867 1.00 0.00 H new ATOM 1393 N THR A 97 -1.326 -15.882 -3.578 1.00 0.00 N ATOM 1394 CA THR A 97 -1.376 -17.281 -3.983 1.00 0.00 C ATOM 1395 C THR A 97 -2.461 -18.035 -3.223 1.00 0.00 C ATOM 1396 O THR A 97 -2.957 -17.563 -2.201 1.00 0.00 O ATOM 1397 CB THR A 97 -0.023 -17.981 -3.752 1.00 0.00 C ATOM 1398 OG1 THR A 97 0.261 -18.049 -2.351 1.00 0.00 O ATOM 1399 CG2 THR A 97 1.097 -17.242 -4.467 1.00 0.00 C ATOM 0 H THR A 97 -1.051 -15.734 -2.607 1.00 0.00 H new ATOM 0 HA THR A 97 -1.607 -17.294 -5.048 1.00 0.00 H new ATOM 0 HB THR A 97 -0.087 -18.991 -4.158 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.098 -17.575 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.042 -17.755 -4.289 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.892 -17.219 -5.537 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.160 -16.222 -4.087 1.00 0.00 H new ATOM 1407 N GLU A 98 -2.825 -19.209 -3.729 1.00 0.00 N ATOM 1408 CA GLU A 98 -3.853 -20.028 -3.097 1.00 0.00 C ATOM 1409 C GLU A 98 -3.272 -20.826 -1.933 1.00 0.00 C ATOM 1410 O GLU A 98 -3.898 -20.954 -0.881 1.00 0.00 O ATOM 1411 CB GLU A 98 -4.480 -20.978 -4.119 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.189 -20.264 -5.258 1.00 0.00 C ATOM 1413 CD GLU A 98 -6.075 -21.192 -6.067 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -6.950 -21.849 -5.465 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -5.893 -21.262 -7.300 1.00 0.00 O ATOM 0 H GLU A 98 -2.423 -19.614 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.625 -19.363 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.701 -21.619 -4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.192 -21.628 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.793 -19.452 -4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.447 -19.811 -5.916 1.00 0.00 H new ATOM 1422 N SER A 99 -2.072 -21.362 -2.131 1.00 0.00 N ATOM 1423 CA SER A 99 -1.408 -22.152 -1.101 1.00 0.00 C ATOM 1424 C SER A 99 -0.077 -21.520 -0.705 1.00 0.00 C ATOM 1425 O SER A 99 0.921 -22.215 -0.518 1.00 0.00 O ATOM 1426 CB SER A 99 -1.181 -23.583 -1.593 1.00 0.00 C ATOM 1427 OG SER A 99 -0.486 -23.593 -2.828 1.00 0.00 O ATOM 0 H SER A 99 -1.540 -21.264 -2.995 1.00 0.00 H new ATOM 0 HA SER A 99 -2.054 -22.176 -0.223 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.614 -24.141 -0.848 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.140 -24.088 -1.708 1.00 0.00 H new ATOM 0 HG SER A 99 -0.352 -24.519 -3.120 1.00 0.00 H new ATOM 1433 N GLY A 100 -0.072 -20.197 -0.579 1.00 0.00 N ATOM 1434 CA GLY A 100 1.141 -19.492 -0.207 1.00 0.00 C ATOM 1435 C GLY A 100 2.304 -19.816 -1.123 1.00 0.00 C ATOM 1436 O GLY A 100 3.143 -18.958 -1.399 1.00 0.00 O ATOM 0 H GLY A 100 -0.886 -19.601 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.954 -18.418 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.407 -19.749 0.818 1.00 0.00 H new