USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 392 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: B 15 ASN : amide:sc= 0 K(o=-0.025,f=-2.3) USER MOD Set 1.2: B 20 GLN : amide:sc= -0.0245 X(o=-0.025,f=-0.41) USER MOD Set 2.1: A 15 ASN : amide:sc= -0.0798 X(o=-0.08,f=0.0021) USER MOD Set 2.2: A 20 GLN : amide:sc= 0 X(o=-0.08,f=0.0021) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -138:sc= -0.605 (180deg=-2.64!) USER MOD Single : A 23 HIS : no HE2:sc= 0.00813 K(o=0.0081,f=-2) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot 29:sc= 0.818 USER MOD Single : B 12 THR OG1 : rot 41:sc= 0.486 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HE2:sc= -4.65! C(o=-4.6!,f=-7.3!) USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 6 20.022 6.505 -20.418 1.00 0.00 N ATOM 70 CA PHE A 6 20.413 6.375 -19.025 1.00 0.00 C ATOM 71 C PHE A 6 19.739 5.164 -18.376 1.00 0.00 C ATOM 72 O PHE A 6 18.518 5.134 -18.233 1.00 0.00 O ATOM 73 CB PHE A 6 19.952 7.645 -18.308 1.00 0.00 C ATOM 74 CG PHE A 6 21.086 8.612 -17.961 1.00 0.00 C ATOM 75 CD1 PHE A 6 22.155 8.174 -17.243 1.00 0.00 C ATOM 76 CD2 PHE A 6 21.025 9.907 -18.369 1.00 0.00 C ATOM 77 CE1 PHE A 6 23.208 9.070 -16.921 1.00 0.00 C ATOM 78 CE2 PHE A 6 22.079 10.803 -18.046 1.00 0.00 C ATOM 79 CZ PHE A 6 23.149 10.366 -17.329 1.00 0.00 C ATOM 0 HA PHE A 6 21.492 6.238 -18.954 1.00 0.00 H new ATOM 0 HB2 PHE A 6 19.227 8.162 -18.937 1.00 0.00 H new ATOM 0 HB3 PHE A 6 19.435 7.364 -17.391 1.00 0.00 H new ATOM 0 HD1 PHE A 6 22.203 7.145 -16.918 1.00 0.00 H new ATOM 0 HD2 PHE A 6 20.176 10.255 -18.938 1.00 0.00 H new ATOM 0 HE1 PHE A 6 24.057 8.722 -16.351 1.00 0.00 H new ATOM 0 HE2 PHE A 6 22.031 11.832 -18.370 1.00 0.00 H new ATOM 0 HZ PHE A 6 23.951 11.047 -17.084 1.00 0.00 H new ATOM 88 N THR A 7 20.564 4.197 -18.003 1.00 0.00 N ATOM 89 CA THR A 7 20.061 2.987 -17.374 1.00 0.00 C ATOM 90 C THR A 7 20.260 3.051 -15.859 1.00 0.00 C ATOM 91 O THR A 7 21.392 3.102 -15.379 1.00 0.00 O ATOM 92 CB THR A 7 20.755 1.791 -18.028 1.00 0.00 C ATOM 93 OG1 THR A 7 20.241 0.663 -17.324 1.00 0.00 O ATOM 94 CG2 THR A 7 22.258 1.756 -17.739 1.00 0.00 C ATOM 0 H THR A 7 21.576 4.226 -18.124 1.00 0.00 H new ATOM 0 HA THR A 7 18.987 2.880 -17.525 1.00 0.00 H new ATOM 0 HB THR A 7 20.592 1.822 -19.105 1.00 0.00 H new ATOM 0 HG1 THR A 7 20.638 -0.157 -17.686 1.00 0.00 H new ATOM 0 HG21 THR A 7 22.702 0.888 -18.226 1.00 0.00 H new ATOM 0 HG22 THR A 7 22.723 2.664 -18.122 1.00 0.00 H new ATOM 0 HG23 THR A 7 22.420 1.691 -16.663 1.00 0.00 H new ATOM 102 N VAL A 8 19.143 3.050 -15.147 1.00 0.00 N ATOM 103 CA VAL A 8 19.181 3.107 -13.695 1.00 0.00 C ATOM 104 C VAL A 8 18.239 2.046 -13.121 1.00 0.00 C ATOM 105 O VAL A 8 17.048 2.040 -13.424 1.00 0.00 O ATOM 106 CB VAL A 8 18.846 4.522 -13.219 1.00 0.00 C ATOM 107 CG1 VAL A 8 17.437 4.929 -13.656 1.00 0.00 C ATOM 108 CG2 VAL A 8 19.007 4.643 -11.703 1.00 0.00 C ATOM 0 H VAL A 8 18.206 3.011 -15.548 1.00 0.00 H new ATOM 0 HA VAL A 8 20.184 2.883 -13.331 1.00 0.00 H new ATOM 0 HB VAL A 8 19.552 5.208 -13.686 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.225 5.939 -13.305 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.371 4.902 -14.744 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.710 4.237 -13.231 1.00 0.00 H new ATOM 0 HG21 VAL A 8 18.763 5.658 -11.391 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.336 3.940 -11.209 1.00 0.00 H new ATOM 0 HG23 VAL A 8 20.037 4.417 -11.427 1.00 0.00 H new ATOM 132 N GLY A 10 17.608 -0.609 -13.928 1.00 0.00 N ATOM 133 CA GLY A 10 17.306 -1.549 -14.995 1.00 0.00 C ATOM 134 C GLY A 10 16.228 -0.992 -15.927 1.00 0.00 C ATOM 135 O GLY A 10 15.958 -1.565 -16.981 1.00 0.00 O ATOM 0 HA2 GLY A 10 18.211 -1.761 -15.565 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.970 -2.494 -14.568 1.00 0.00 H new ATOM 139 N ARG A 11 15.641 0.118 -15.505 1.00 0.00 N ATOM 140 CA ARG A 11 14.599 0.758 -16.287 1.00 0.00 C ATOM 141 C ARG A 11 15.216 1.709 -17.316 1.00 0.00 C ATOM 142 O ARG A 11 15.475 2.873 -17.014 1.00 0.00 O ATOM 143 CB ARG A 11 13.637 1.542 -15.391 1.00 0.00 C ATOM 144 CG ARG A 11 14.364 2.684 -14.678 1.00 0.00 C ATOM 145 CD ARG A 11 14.047 2.684 -13.181 1.00 0.00 C ATOM 146 NE ARG A 11 14.152 1.310 -12.641 1.00 0.00 N ATOM 147 CZ ARG A 11 13.452 0.859 -11.578 1.00 0.00 C ATOM 148 NH1 ARG A 11 12.592 1.672 -10.930 1.00 0.00 N ATOM 149 NH2 ARG A 11 13.624 -0.388 -11.183 1.00 0.00 N ATOM 0 H ARG A 11 15.868 0.591 -14.630 1.00 0.00 H new ATOM 0 HA ARG A 11 14.041 -0.026 -16.799 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.820 1.944 -15.991 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.192 0.873 -14.655 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.439 2.584 -14.826 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.069 3.638 -15.116 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.737 3.344 -12.655 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.043 3.074 -13.014 1.00 0.00 H new ATOM 0 HE ARG A 11 14.793 0.663 -13.101 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.467 2.635 -11.242 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.067 1.324 -10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.277 -0.994 -11.679 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.104 -0.746 -10.382 1.00 0.00 H new ATOM 159 N THR A 12 15.435 1.177 -18.510 1.00 0.00 N ATOM 160 CA THR A 12 16.017 1.963 -19.584 1.00 0.00 C ATOM 161 C THR A 12 15.083 3.112 -19.971 1.00 0.00 C ATOM 162 O THR A 12 13.873 2.923 -20.087 1.00 0.00 O ATOM 163 CB THR A 12 16.329 1.018 -20.747 1.00 0.00 C ATOM 164 OG1 THR A 12 15.112 0.304 -20.949 1.00 0.00 O ATOM 165 CG2 THR A 12 17.337 -0.066 -20.364 1.00 0.00 C ATOM 0 H THR A 12 15.220 0.211 -18.757 1.00 0.00 H new ATOM 0 HA THR A 12 16.948 2.433 -19.269 1.00 0.00 H new ATOM 0 HB THR A 12 16.715 1.592 -21.589 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.224 -0.331 -21.687 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.524 -0.709 -21.224 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.271 0.400 -20.050 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.936 -0.663 -19.545 1.00 0.00 H new ATOM 173 N ALA A 13 15.680 4.281 -20.157 1.00 0.00 N ATOM 174 CA ALA A 13 14.918 5.460 -20.528 1.00 0.00 C ATOM 175 C ALA A 13 15.803 6.396 -21.353 1.00 0.00 C ATOM 176 O ALA A 13 16.987 6.555 -21.060 1.00 0.00 O ATOM 177 CB ALA A 13 14.375 6.135 -19.266 1.00 0.00 C ATOM 0 H ALA A 13 16.683 4.436 -20.057 1.00 0.00 H new ATOM 0 HA ALA A 13 14.063 5.185 -21.145 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.803 7.020 -19.544 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.729 5.439 -18.730 1.00 0.00 H new ATOM 0 HB3 ALA A 13 15.206 6.427 -18.623 1.00 0.00 H new ATOM 183 N LEU A 14 15.194 6.991 -22.368 1.00 0.00 N ATOM 184 CA LEU A 14 15.912 7.907 -23.238 1.00 0.00 C ATOM 185 C LEU A 14 15.197 9.259 -23.250 1.00 0.00 C ATOM 186 O LEU A 14 13.990 9.328 -23.020 1.00 0.00 O ATOM 187 CB LEU A 14 16.094 7.295 -24.628 1.00 0.00 C ATOM 188 CG LEU A 14 16.593 8.243 -25.719 1.00 0.00 C ATOM 189 CD1 LEU A 14 17.205 7.465 -26.886 1.00 0.00 C ATOM 190 CD2 LEU A 14 15.476 9.183 -26.181 1.00 0.00 C ATOM 0 H LEU A 14 14.212 6.857 -22.607 1.00 0.00 H new ATOM 0 HA LEU A 14 16.919 8.082 -22.858 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.795 6.464 -24.548 1.00 0.00 H new ATOM 0 HB3 LEU A 14 15.139 6.877 -24.947 1.00 0.00 H new ATOM 0 HG LEU A 14 17.383 8.863 -25.296 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.552 8.164 -27.647 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.047 6.873 -26.527 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.453 6.803 -27.316 1.00 0.00 H new ATOM 0 HD21 LEU A 14 15.857 9.847 -26.957 1.00 0.00 H new ATOM 0 HD22 LEU A 14 14.648 8.596 -26.579 1.00 0.00 H new ATOM 0 HD23 LEU A 14 15.127 9.776 -25.336 1.00 0.00 H new ATOM 201 N ASN A 15 15.969 10.300 -23.523 1.00 0.00 N ATOM 202 CA ASN A 15 15.424 11.646 -23.568 1.00 0.00 C ATOM 203 C ASN A 15 15.869 12.328 -24.863 1.00 0.00 C ATOM 204 O ASN A 15 17.019 12.748 -24.984 1.00 0.00 O ATOM 205 CB ASN A 15 15.929 12.485 -22.393 1.00 0.00 C ATOM 206 CG ASN A 15 15.900 11.681 -21.092 1.00 0.00 C ATOM 207 OD1 ASN A 15 16.921 11.380 -20.497 1.00 0.00 O ATOM 208 ND2 ASN A 15 14.676 11.354 -20.686 1.00 0.00 N ATOM 0 H ASN A 15 16.969 10.238 -23.716 1.00 0.00 H new ATOM 0 HA ASN A 15 14.338 11.572 -23.516 1.00 0.00 H new ATOM 0 HB2 ASN A 15 16.946 12.823 -22.593 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.312 13.377 -22.287 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.550 10.818 -19.827 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.864 11.639 -21.233 1.00 0.00 H new ATOM 214 N THR A 16 14.935 12.417 -25.799 1.00 0.00 N ATOM 215 CA THR A 16 15.217 13.042 -27.081 1.00 0.00 C ATOM 216 C THR A 16 14.301 14.248 -27.299 1.00 0.00 C ATOM 217 O THR A 16 13.101 14.175 -27.043 1.00 0.00 O ATOM 218 CB THR A 16 15.083 11.973 -28.167 1.00 0.00 C ATOM 219 OG1 THR A 16 14.999 12.717 -29.379 1.00 0.00 O ATOM 220 CG2 THR A 16 13.749 11.228 -28.093 1.00 0.00 C ATOM 0 H THR A 16 13.983 12.067 -25.695 1.00 0.00 H new ATOM 0 HA THR A 16 16.233 13.435 -27.115 1.00 0.00 H new ATOM 0 HB THR A 16 15.902 11.260 -28.077 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.912 12.101 -30.136 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.705 10.481 -28.885 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.661 10.736 -27.125 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.930 11.936 -28.216 1.00 0.00 H new ATOM 242 N ALA A 18 12.671 16.955 -26.192 1.00 0.00 N ATOM 243 CA ALA A 18 12.216 17.556 -24.950 1.00 0.00 C ATOM 244 C ALA A 18 11.138 16.669 -24.324 1.00 0.00 C ATOM 245 O ALA A 18 10.273 17.157 -23.598 1.00 0.00 O ATOM 246 CB ALA A 18 11.718 18.977 -25.222 1.00 0.00 C ATOM 0 HA ALA A 18 13.037 17.630 -24.236 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.377 19.428 -24.290 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.530 19.574 -25.638 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.892 18.943 -25.932 1.00 0.00 H new ATOM 252 N VAL A 19 11.225 15.383 -24.628 1.00 0.00 N ATOM 253 CA VAL A 19 10.267 14.424 -24.104 1.00 0.00 C ATOM 254 C VAL A 19 10.995 13.421 -23.207 1.00 0.00 C ATOM 255 O VAL A 19 12.223 13.357 -23.211 1.00 0.00 O ATOM 256 CB VAL A 19 9.511 13.756 -25.255 1.00 0.00 C ATOM 257 CG1 VAL A 19 10.242 12.503 -25.738 1.00 0.00 C ATOM 258 CG2 VAL A 19 8.072 13.432 -24.850 1.00 0.00 C ATOM 0 H VAL A 19 11.944 14.982 -25.230 1.00 0.00 H new ATOM 0 HA VAL A 19 9.520 14.928 -23.491 1.00 0.00 H new ATOM 0 HB VAL A 19 9.474 14.461 -26.086 1.00 0.00 H new ATOM 0 HG11 VAL A 19 9.683 12.048 -26.556 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.239 12.775 -26.086 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.326 11.792 -24.917 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.557 12.958 -25.686 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.078 12.755 -23.996 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.554 14.352 -24.579 1.00 0.00 H new ATOM 268 N GLN A 20 10.207 12.663 -22.459 1.00 0.00 N ATOM 269 CA GLN A 20 10.760 11.666 -21.559 1.00 0.00 C ATOM 270 C GLN A 20 10.171 10.287 -21.866 1.00 0.00 C ATOM 271 O GLN A 20 8.958 10.097 -21.794 1.00 0.00 O ATOM 272 CB GLN A 20 10.520 12.052 -20.099 1.00 0.00 C ATOM 273 CG GLN A 20 11.455 11.281 -19.166 1.00 0.00 C ATOM 274 CD GLN A 20 12.235 12.234 -18.258 1.00 0.00 C ATOM 275 OE1 GLN A 20 13.098 12.979 -18.692 1.00 0.00 O ATOM 276 NE2 GLN A 20 11.883 12.171 -16.978 1.00 0.00 N ATOM 0 H GLN A 20 9.189 12.720 -22.458 1.00 0.00 H new ATOM 0 HA GLN A 20 11.838 11.622 -21.716 1.00 0.00 H new ATOM 0 HB2 GLN A 20 10.677 13.123 -19.972 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.483 11.847 -19.831 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.875 10.587 -18.558 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.151 10.684 -19.755 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.152 11.524 -16.681 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.344 12.769 -16.292 1.00 0.00 H new ATOM 283 N LYS A 21 11.058 9.362 -22.201 1.00 0.00 N ATOM 284 CA LYS A 21 10.642 8.008 -22.520 1.00 0.00 C ATOM 285 C LYS A 21 11.264 7.036 -21.512 1.00 0.00 C ATOM 286 O LYS A 21 12.485 6.975 -21.378 1.00 0.00 O ATOM 287 CB LYS A 21 10.967 7.674 -23.977 1.00 0.00 C ATOM 288 CG LYS A 21 10.140 8.535 -24.933 1.00 0.00 C ATOM 289 CD LYS A 21 10.825 8.653 -26.296 1.00 0.00 C ATOM 290 CE LYS A 21 10.159 7.737 -27.325 1.00 0.00 C ATOM 291 NZ LYS A 21 8.817 8.250 -27.683 1.00 0.00 N ATOM 0 H LYS A 21 12.063 9.524 -22.258 1.00 0.00 H new ATOM 0 HA LYS A 21 9.560 7.913 -22.430 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.029 7.835 -24.163 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.767 6.619 -24.166 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.149 8.098 -25.057 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.000 9.528 -24.505 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.781 9.686 -26.641 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.879 8.393 -26.201 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.780 7.671 -28.218 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.074 6.728 -26.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.146 7.457 -27.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.498 8.924 -26.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.863 8.730 -28.605 1.00 0.00 H new ATOM 300 N TRP A 22 10.396 6.303 -20.831 1.00 0.00 N ATOM 301 CA TRP A 22 10.846 5.339 -19.842 1.00 0.00 C ATOM 302 C TRP A 22 10.177 3.997 -20.149 1.00 0.00 C ATOM 303 O TRP A 22 8.965 3.936 -20.348 1.00 0.00 O ATOM 304 CB TRP A 22 10.561 5.837 -18.423 1.00 0.00 C ATOM 305 CG TRP A 22 11.586 6.846 -17.899 1.00 0.00 C ATOM 306 CD1 TRP A 22 11.930 8.025 -18.435 1.00 0.00 C ATOM 307 CD2 TRP A 22 12.391 6.713 -16.709 1.00 0.00 C ATOM 308 NE1 TRP A 22 12.894 8.661 -17.678 1.00 0.00 N ATOM 309 CE2 TRP A 22 13.183 7.837 -16.596 1.00 0.00 C ATOM 310 CE3 TRP A 22 12.448 5.679 -15.759 1.00 0.00 C ATOM 311 CZ2 TRP A 22 14.089 8.035 -15.547 1.00 0.00 C ATOM 312 CZ3 TRP A 22 13.359 5.891 -14.716 1.00 0.00 C ATOM 313 CH2 TRP A 22 14.164 7.017 -14.589 1.00 0.00 C ATOM 0 H TRP A 22 9.384 6.357 -20.945 1.00 0.00 H new ATOM 0 HA TRP A 22 11.927 5.209 -19.895 1.00 0.00 H new ATOM 0 HB2 TRP A 22 9.572 6.295 -18.402 1.00 0.00 H new ATOM 0 HB3 TRP A 22 10.531 4.982 -17.748 1.00 0.00 H new ATOM 0 HD1 TRP A 22 11.507 8.427 -19.344 1.00 0.00 H new ATOM 0 HE1 TRP A 22 13.316 9.568 -17.876 1.00 0.00 H new ATOM 0 HE3 TRP A 22 11.838 4.791 -15.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 14.697 8.925 -15.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 13.442 5.126 -13.958 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.844 7.106 -13.755 1.00 0.00 H new ATOM 323 N HIS A 23 10.997 2.958 -20.181 1.00 0.00 N ATOM 324 CA HIS A 23 10.500 1.622 -20.461 1.00 0.00 C ATOM 325 C HIS A 23 10.965 0.661 -19.364 1.00 0.00 C ATOM 326 O HIS A 23 12.162 0.534 -19.112 1.00 0.00 O ATOM 327 CB HIS A 23 10.918 1.170 -21.862 1.00 0.00 C ATOM 328 CG HIS A 23 11.188 2.306 -22.819 1.00 0.00 C ATOM 329 ND1 HIS A 23 12.314 3.107 -22.735 1.00 0.00 N ATOM 330 CD2 HIS A 23 10.466 2.766 -23.881 1.00 0.00 C ATOM 331 CE1 HIS A 23 12.261 4.006 -23.707 1.00 0.00 C ATOM 332 NE2 HIS A 23 11.114 3.793 -24.416 1.00 0.00 N ATOM 0 H HIS A 23 12.002 3.014 -20.018 1.00 0.00 H new ATOM 0 HA HIS A 23 9.410 1.626 -20.454 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.815 0.555 -21.782 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.134 0.537 -22.277 1.00 0.00 H new ATOM 0 HD1 HIS A 23 13.058 3.020 -22.043 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.526 2.363 -24.228 1.00 0.00 H new ATOM 0 HE1 HIS A 23 12.996 4.772 -23.904 1.00 0.00 H new ATOM 339 N PHE A 24 9.992 0.008 -18.744 1.00 0.00 N ATOM 340 CA PHE A 24 10.287 -0.938 -17.681 1.00 0.00 C ATOM 341 C PHE A 24 9.949 -2.367 -18.110 1.00 0.00 C ATOM 342 O PHE A 24 8.787 -2.689 -18.351 1.00 0.00 O ATOM 343 CB PHE A 24 9.408 -0.556 -16.487 1.00 0.00 C ATOM 344 CG PHE A 24 9.687 0.843 -15.933 1.00 0.00 C ATOM 345 CD1 PHE A 24 9.234 1.941 -16.598 1.00 0.00 C ATOM 346 CD2 PHE A 24 10.387 0.990 -14.775 1.00 0.00 C ATOM 347 CE1 PHE A 24 9.492 3.239 -16.083 1.00 0.00 C ATOM 348 CE2 PHE A 24 10.645 2.288 -14.262 1.00 0.00 C ATOM 349 CZ PHE A 24 10.192 3.385 -14.926 1.00 0.00 C ATOM 0 H PHE A 24 9.000 0.115 -18.957 1.00 0.00 H new ATOM 0 HA PHE A 24 11.348 -0.902 -17.434 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.361 -0.616 -16.785 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.555 -1.287 -15.692 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.679 1.825 -17.517 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.746 0.119 -14.247 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.132 4.110 -16.610 1.00 0.00 H new ATOM 0 HE2 PHE A 24 11.201 2.405 -13.344 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.388 4.372 -14.535 1.00 0.00 H new ATOM 358 N VAL A 25 10.986 -3.187 -18.190 1.00 0.00 N ATOM 359 CA VAL A 25 10.814 -4.574 -18.586 1.00 0.00 C ATOM 360 C VAL A 25 11.410 -5.485 -17.510 1.00 0.00 C ATOM 361 O VAL A 25 12.576 -5.340 -17.145 1.00 0.00 O ATOM 362 CB VAL A 25 11.427 -4.804 -19.969 1.00 0.00 C ATOM 363 CG1 VAL A 25 12.918 -5.132 -19.861 1.00 0.00 C ATOM 364 CG2 VAL A 25 10.678 -5.902 -20.726 1.00 0.00 C ATOM 0 H VAL A 25 11.949 -2.917 -17.987 1.00 0.00 H new ATOM 0 HA VAL A 25 9.755 -4.818 -18.670 1.00 0.00 H new ATOM 0 HB VAL A 25 11.328 -3.879 -20.536 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.329 -5.291 -20.858 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.439 -4.303 -19.382 1.00 0.00 H new ATOM 0 HG13 VAL A 25 13.050 -6.036 -19.266 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.134 -6.045 -21.705 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.730 -6.833 -20.162 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.635 -5.611 -20.851 1.00 0.00 H new ATOM 374 N LEU A 26 10.582 -6.401 -17.031 1.00 0.00 N ATOM 375 CA LEU A 26 11.013 -7.335 -16.004 1.00 0.00 C ATOM 376 C LEU A 26 10.233 -8.643 -16.152 1.00 0.00 C ATOM 377 O LEU A 26 9.174 -8.810 -15.548 1.00 0.00 O ATOM 378 CB LEU A 26 10.892 -6.700 -14.618 1.00 0.00 C ATOM 379 CG LEU A 26 11.555 -7.462 -13.471 1.00 0.00 C ATOM 380 CD1 LEU A 26 12.171 -6.499 -12.454 1.00 0.00 C ATOM 381 CD2 LEU A 26 10.571 -8.433 -12.815 1.00 0.00 C ATOM 0 H LEU A 26 9.615 -6.517 -17.335 1.00 0.00 H new ATOM 0 HA LEU A 26 12.069 -7.577 -16.127 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.323 -5.700 -14.660 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.834 -6.582 -14.385 1.00 0.00 H new ATOM 0 HG LEU A 26 12.369 -8.057 -13.885 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.636 -7.068 -11.649 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.925 -5.884 -12.946 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.392 -5.858 -12.042 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.069 -8.962 -12.002 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.721 -7.877 -12.419 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.221 -9.152 -13.556 1.00 0.00 H new ATOM 406 N GLY A 28 7.787 -10.880 -17.560 1.00 0.00 N ATOM 407 CA GLY A 28 6.555 -10.774 -18.322 1.00 0.00 C ATOM 408 C GLY A 28 5.841 -9.453 -18.031 1.00 0.00 C ATOM 409 O GLY A 28 4.814 -9.151 -18.639 1.00 0.00 O ATOM 0 HA2 GLY A 28 6.775 -10.845 -19.387 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.898 -11.608 -18.076 1.00 0.00 H new ATOM 413 N TYR A 29 6.411 -8.701 -17.101 1.00 0.00 N ATOM 414 CA TYR A 29 5.842 -7.418 -16.721 1.00 0.00 C ATOM 415 C TYR A 29 6.402 -6.292 -17.592 1.00 0.00 C ATOM 416 O TYR A 29 7.602 -6.024 -17.571 1.00 0.00 O ATOM 417 CB TYR A 29 6.263 -7.183 -15.270 1.00 0.00 C ATOM 418 CG TYR A 29 5.214 -6.454 -14.429 1.00 0.00 C ATOM 419 CD1 TYR A 29 5.046 -5.091 -14.566 1.00 0.00 C ATOM 420 CD2 TYR A 29 4.436 -7.158 -13.532 1.00 0.00 C ATOM 421 CE1 TYR A 29 4.059 -4.404 -13.773 1.00 0.00 C ATOM 422 CE2 TYR A 29 3.449 -6.471 -12.739 1.00 0.00 C ATOM 423 CZ TYR A 29 3.308 -5.128 -12.900 1.00 0.00 C ATOM 424 OH TYR A 29 2.376 -4.479 -12.152 1.00 0.00 O ATOM 0 H TYR A 29 7.262 -8.955 -16.599 1.00 0.00 H new ATOM 0 HA TYR A 29 4.759 -7.426 -16.845 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.482 -8.144 -14.806 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.188 -6.606 -15.259 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.654 -4.540 -15.268 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.567 -8.225 -13.425 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.918 -3.338 -13.869 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.835 -7.010 -12.033 1.00 0.00 H new ATOM 0 HH TYR A 29 1.915 -5.122 -11.574 1.00 0.00 H new ATOM 433 N LYS A 30 5.505 -5.661 -18.335 1.00 0.00 N ATOM 434 CA LYS A 30 5.894 -4.569 -19.212 1.00 0.00 C ATOM 435 C LYS A 30 5.133 -3.303 -18.810 1.00 0.00 C ATOM 436 O LYS A 30 3.922 -3.213 -19.006 1.00 0.00 O ATOM 437 CB LYS A 30 5.702 -4.963 -20.677 1.00 0.00 C ATOM 438 CG LYS A 30 7.027 -5.396 -21.307 1.00 0.00 C ATOM 439 CD LYS A 30 6.971 -6.861 -21.743 1.00 0.00 C ATOM 440 CE LYS A 30 7.249 -6.998 -23.242 1.00 0.00 C ATOM 441 NZ LYS A 30 8.706 -7.058 -23.497 1.00 0.00 N ATOM 0 H LYS A 30 4.510 -5.885 -18.348 1.00 0.00 H new ATOM 0 HA LYS A 30 6.956 -4.352 -19.102 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.979 -5.776 -20.747 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.289 -4.121 -21.233 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.249 -4.765 -22.167 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.837 -5.256 -20.592 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.702 -7.440 -21.179 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.990 -7.276 -21.512 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.770 -7.899 -23.626 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.815 -6.153 -23.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.876 -7.151 -24.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.155 -6.187 -23.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.111 -7.878 -23.003 1.00 0.00 H new ATOM 450 N CYS A 31 5.876 -2.356 -18.253 1.00 0.00 N ATOM 451 CA CYS A 31 5.287 -1.099 -17.822 1.00 0.00 C ATOM 452 C CYS A 31 5.998 0.040 -18.555 1.00 0.00 C ATOM 453 O CYS A 31 7.048 0.505 -18.118 1.00 0.00 O ATOM 454 CB CYS A 31 5.359 -0.934 -16.302 1.00 0.00 C ATOM 455 SG CYS A 31 4.440 0.505 -15.644 1.00 0.00 S ATOM 0 H CYS A 31 6.880 -2.434 -18.091 1.00 0.00 H new ATOM 0 HA CYS A 31 4.226 -1.085 -18.073 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.973 -1.839 -15.833 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.405 -0.844 -16.009 1.00 0.00 H new ATOM 459 N GLU A 32 5.394 0.457 -19.659 1.00 0.00 N ATOM 460 CA GLU A 32 5.955 1.534 -20.457 1.00 0.00 C ATOM 461 C GLU A 32 5.108 2.800 -20.309 1.00 0.00 C ATOM 462 O GLU A 32 3.882 2.728 -20.249 1.00 0.00 O ATOM 463 CB GLU A 32 6.074 1.122 -21.925 1.00 0.00 C ATOM 464 CG GLU A 32 7.334 0.285 -22.160 1.00 0.00 C ATOM 465 CD GLU A 32 7.142 -0.677 -23.332 1.00 0.00 C ATOM 466 OE1 GLU A 32 6.459 -1.703 -23.188 1.00 0.00 O ATOM 467 OE2 GLU A 32 7.730 -0.328 -24.427 1.00 0.00 O ATOM 0 H GLU A 32 4.522 0.068 -20.019 1.00 0.00 H new ATOM 0 HA GLU A 32 6.959 1.748 -20.091 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.194 0.550 -22.218 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.101 2.011 -22.555 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.180 0.943 -22.360 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.574 -0.278 -21.258 1.00 0.00 H new ATOM 473 N ILE A 33 5.799 3.931 -20.256 1.00 0.00 N ATOM 474 CA ILE A 33 5.125 5.212 -20.117 1.00 0.00 C ATOM 475 C ILE A 33 5.631 6.169 -21.199 1.00 0.00 C ATOM 476 O ILE A 33 6.768 6.051 -21.654 1.00 0.00 O ATOM 477 CB ILE A 33 5.287 5.749 -18.694 1.00 0.00 C ATOM 478 CG1 ILE A 33 4.897 4.692 -17.661 1.00 0.00 C ATOM 479 CG2 ILE A 33 4.502 7.051 -18.507 1.00 0.00 C ATOM 480 CD1 ILE A 33 5.434 5.056 -16.274 1.00 0.00 C ATOM 0 H ILE A 33 6.816 3.987 -20.307 1.00 0.00 H new ATOM 0 HA ILE A 33 4.052 5.098 -20.269 1.00 0.00 H new ATOM 0 HB ILE A 33 6.340 5.981 -18.534 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.812 4.600 -17.622 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.289 3.721 -17.963 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.634 7.412 -17.487 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.869 7.801 -19.208 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.444 6.868 -18.693 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.142 4.288 -15.558 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.521 5.124 -16.311 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.021 6.016 -15.964 1.00 0.00 H new ATOM 491 N LEU A 34 4.763 7.095 -21.578 1.00 0.00 N ATOM 492 CA LEU A 34 5.108 8.071 -22.596 1.00 0.00 C ATOM 493 C LEU A 34 4.913 9.480 -22.033 1.00 0.00 C ATOM 494 O LEU A 34 3.910 10.133 -22.316 1.00 0.00 O ATOM 495 CB LEU A 34 4.318 7.808 -23.879 1.00 0.00 C ATOM 496 CG LEU A 34 5.028 8.160 -25.190 1.00 0.00 C ATOM 497 CD1 LEU A 34 5.147 9.675 -25.358 1.00 0.00 C ATOM 498 CD2 LEU A 34 6.388 7.465 -25.278 1.00 0.00 C ATOM 0 H LEU A 34 3.821 7.190 -21.198 1.00 0.00 H new ATOM 0 HA LEU A 34 6.159 7.979 -22.871 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.050 6.752 -23.907 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.387 8.372 -23.831 1.00 0.00 H new ATOM 0 HG LEU A 34 4.423 7.791 -26.018 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.655 9.898 -26.296 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.152 10.119 -25.369 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.720 10.089 -24.528 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.872 7.731 -26.218 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.014 7.783 -24.444 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.248 6.385 -25.235 1.00 0.00 H new ATOM 509 N ALA A 35 5.889 9.906 -21.244 1.00 0.00 N ATOM 510 CA ALA A 35 5.837 11.227 -20.638 1.00 0.00 C ATOM 511 C ALA A 35 6.945 12.100 -21.232 1.00 0.00 C ATOM 512 O ALA A 35 7.267 11.982 -22.413 1.00 0.00 O ATOM 513 CB ALA A 35 5.950 11.095 -19.118 1.00 0.00 C ATOM 0 H ALA A 35 6.719 9.361 -21.010 1.00 0.00 H new ATOM 0 HA ALA A 35 4.885 11.712 -20.854 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.911 12.085 -18.663 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.124 10.490 -18.743 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.895 10.616 -18.864 1.00 0.00 H new ATOM 571 N LYS B 5 -14.132 -11.209 -16.807 1.00 0.00 N ATOM 572 CA LYS B 5 -13.894 -9.795 -17.042 1.00 0.00 C ATOM 573 C LYS B 5 -14.057 -9.029 -15.728 1.00 0.00 C ATOM 574 O LYS B 5 -15.168 -8.661 -15.353 1.00 0.00 O ATOM 575 CB LYS B 5 -14.794 -9.282 -18.168 1.00 0.00 C ATOM 576 CG LYS B 5 -14.582 -7.784 -18.400 1.00 0.00 C ATOM 577 CD LYS B 5 -14.814 -7.418 -19.868 1.00 0.00 C ATOM 578 CE LYS B 5 -15.562 -6.090 -19.991 1.00 0.00 C ATOM 579 NZ LYS B 5 -16.849 -6.282 -20.696 1.00 0.00 N ATOM 0 HA LYS B 5 -12.871 -9.632 -17.381 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -14.582 -9.830 -19.086 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -15.838 -9.471 -17.919 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -15.263 -7.214 -17.768 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -13.569 -7.507 -18.108 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -13.857 -7.349 -20.385 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -15.385 -8.207 -20.357 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -15.742 -5.675 -19.000 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -14.949 -5.369 -20.532 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -17.343 -5.370 -20.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -16.670 -6.658 -21.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -17.439 -6.953 -20.164 1.00 0.00 H new ATOM 588 N PHE B 6 -12.931 -8.811 -15.065 1.00 0.00 N ATOM 589 CA PHE B 6 -12.934 -8.095 -13.800 1.00 0.00 C ATOM 590 C PHE B 6 -12.209 -6.754 -13.927 1.00 0.00 C ATOM 591 O PHE B 6 -11.239 -6.637 -14.674 1.00 0.00 O ATOM 592 CB PHE B 6 -12.190 -8.970 -12.789 1.00 0.00 C ATOM 593 CG PHE B 6 -12.861 -9.041 -11.416 1.00 0.00 C ATOM 594 CD1 PHE B 6 -12.545 -8.132 -10.455 1.00 0.00 C ATOM 595 CD2 PHE B 6 -13.775 -10.014 -11.155 1.00 0.00 C ATOM 596 CE1 PHE B 6 -13.167 -8.199 -9.180 1.00 0.00 C ATOM 597 CE2 PHE B 6 -14.397 -10.081 -9.881 1.00 0.00 C ATOM 598 CZ PHE B 6 -14.080 -9.172 -8.921 1.00 0.00 C ATOM 0 H PHE B 6 -12.010 -9.117 -15.380 1.00 0.00 H new ATOM 0 HA PHE B 6 -13.959 -7.895 -13.488 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -12.103 -9.979 -13.192 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -11.177 -8.586 -12.668 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -11.820 -7.358 -10.662 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -14.028 -10.736 -11.918 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -12.915 -7.478 -8.417 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -15.122 -10.854 -9.674 1.00 0.00 H new ATOM 0 HZ PHE B 6 -14.554 -9.223 -7.952 1.00 0.00 H new ATOM 607 N THR B 7 -12.708 -5.775 -13.186 1.00 0.00 N ATOM 608 CA THR B 7 -12.119 -4.446 -13.207 1.00 0.00 C ATOM 609 C THR B 7 -11.710 -4.022 -11.795 1.00 0.00 C ATOM 610 O THR B 7 -12.554 -3.619 -10.996 1.00 0.00 O ATOM 611 CB THR B 7 -13.123 -3.495 -13.861 1.00 0.00 C ATOM 612 OG1 THR B 7 -14.288 -3.606 -13.048 1.00 0.00 O ATOM 613 CG2 THR B 7 -13.582 -3.982 -15.237 1.00 0.00 C ATOM 0 H THR B 7 -13.513 -5.875 -12.568 1.00 0.00 H new ATOM 0 HA THR B 7 -11.202 -4.428 -13.796 1.00 0.00 H new ATOM 0 HB THR B 7 -12.675 -2.506 -13.957 1.00 0.00 H new ATOM 0 HG1 THR B 7 -14.027 -3.835 -12.132 1.00 0.00 H new ATOM 0 HG21 THR B 7 -14.293 -3.270 -15.656 1.00 0.00 H new ATOM 0 HG22 THR B 7 -12.720 -4.066 -15.899 1.00 0.00 H new ATOM 0 HG23 THR B 7 -14.060 -4.957 -15.137 1.00 0.00 H new ATOM 621 N VAL B 8 -10.418 -4.129 -11.531 1.00 0.00 N ATOM 622 CA VAL B 8 -9.887 -3.761 -10.229 1.00 0.00 C ATOM 623 C VAL B 8 -8.735 -2.771 -10.413 1.00 0.00 C ATOM 624 O VAL B 8 -7.837 -3.001 -11.223 1.00 0.00 O ATOM 625 CB VAL B 8 -9.477 -5.017 -9.456 1.00 0.00 C ATOM 626 CG1 VAL B 8 -8.074 -5.475 -9.858 1.00 0.00 C ATOM 627 CG2 VAL B 8 -9.569 -4.786 -7.947 1.00 0.00 C ATOM 0 H VAL B 8 -9.722 -4.465 -12.196 1.00 0.00 H new ATOM 0 HA VAL B 8 -10.652 -3.263 -9.633 1.00 0.00 H new ATOM 0 HB VAL B 8 -10.175 -5.813 -9.715 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -7.808 -6.369 -9.294 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -8.056 -5.700 -10.924 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -7.357 -4.683 -9.642 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -9.272 -5.694 -7.421 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -8.906 -3.969 -7.663 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -10.594 -4.531 -7.680 1.00 0.00 H new ATOM 651 N GLY B 10 -8.718 -0.310 -11.891 1.00 0.00 N ATOM 652 CA GLY B 10 -8.956 0.383 -13.147 1.00 0.00 C ATOM 653 C GLY B 10 -8.246 -0.321 -14.305 1.00 0.00 C ATOM 654 O GLY B 10 -8.269 0.159 -15.436 1.00 0.00 O ATOM 0 HA2 GLY B 10 -10.027 0.427 -13.345 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -8.604 1.412 -13.071 1.00 0.00 H new ATOM 658 N ARG B 11 -7.629 -1.448 -13.980 1.00 0.00 N ATOM 659 CA ARG B 11 -6.912 -2.223 -14.979 1.00 0.00 C ATOM 660 C ARG B 11 -7.735 -3.443 -15.395 1.00 0.00 C ATOM 661 O ARG B 11 -7.865 -4.399 -14.629 1.00 0.00 O ATOM 662 CB ARG B 11 -5.556 -2.688 -14.446 1.00 0.00 C ATOM 663 CG ARG B 11 -5.718 -3.469 -13.141 1.00 0.00 C ATOM 664 CD ARG B 11 -5.090 -2.712 -11.967 1.00 0.00 C ATOM 665 NE ARG B 11 -5.292 -3.469 -10.712 1.00 0.00 N ATOM 666 CZ ARG B 11 -4.906 -3.030 -9.494 1.00 0.00 C ATOM 667 NH1 ARG B 11 -4.297 -1.833 -9.358 1.00 0.00 N ATOM 668 NH2 ARG B 11 -5.136 -3.790 -8.438 1.00 0.00 N ATOM 0 H ARG B 11 -7.611 -1.843 -13.040 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.748 -1.580 -15.843 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.064 -3.315 -15.190 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -4.911 -1.825 -14.280 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -6.776 -3.639 -12.944 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -5.250 -4.449 -13.239 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -4.025 -2.566 -12.146 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -5.538 -1.722 -11.881 1.00 0.00 H new ATOM 0 HE ARG B 11 -5.751 -4.378 -10.770 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -4.125 -1.252 -10.179 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -4.009 -1.509 -8.435 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -5.598 -4.692 -8.550 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -4.851 -3.474 -7.511 1.00 0.00 H new ATOM 678 N THR B 12 -8.269 -3.374 -16.605 1.00 0.00 N ATOM 679 CA THR B 12 -9.076 -4.462 -17.131 1.00 0.00 C ATOM 680 C THR B 12 -8.318 -5.787 -17.026 1.00 0.00 C ATOM 681 O THR B 12 -7.275 -5.961 -17.654 1.00 0.00 O ATOM 682 CB THR B 12 -9.476 -4.104 -18.564 1.00 0.00 C ATOM 683 OG1 THR B 12 -8.238 -3.819 -19.210 1.00 0.00 O ATOM 684 CG2 THR B 12 -10.249 -2.786 -18.644 1.00 0.00 C ATOM 0 H THR B 12 -8.159 -2.581 -17.237 1.00 0.00 H new ATOM 0 HA THR B 12 -9.987 -4.597 -16.547 1.00 0.00 H new ATOM 0 HB THR B 12 -10.083 -4.907 -18.982 1.00 0.00 H new ATOM 0 HG1 THR B 12 -7.563 -4.469 -18.924 1.00 0.00 H new ATOM 0 HG21 THR B 12 -10.509 -2.579 -19.682 1.00 0.00 H new ATOM 0 HG22 THR B 12 -11.160 -2.862 -18.050 1.00 0.00 H new ATOM 0 HG23 THR B 12 -9.630 -1.977 -18.256 1.00 0.00 H new ATOM 692 N ALA B 13 -8.873 -6.687 -16.226 1.00 0.00 N ATOM 693 CA ALA B 13 -8.261 -7.990 -16.030 1.00 0.00 C ATOM 694 C ALA B 13 -9.080 -9.048 -16.773 1.00 0.00 C ATOM 695 O ALA B 13 -10.209 -9.349 -16.386 1.00 0.00 O ATOM 696 CB ALA B 13 -8.152 -8.283 -14.532 1.00 0.00 C ATOM 0 H ALA B 13 -9.739 -6.539 -15.707 1.00 0.00 H new ATOM 0 HA ALA B 13 -7.251 -8.006 -16.439 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -7.693 -9.261 -14.385 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -7.538 -7.519 -14.055 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -9.147 -8.279 -14.087 1.00 0.00 H new ATOM 702 N LEU B 14 -8.480 -9.585 -17.824 1.00 0.00 N ATOM 703 CA LEU B 14 -9.138 -10.604 -18.625 1.00 0.00 C ATOM 704 C LEU B 14 -8.336 -11.903 -18.549 1.00 0.00 C ATOM 705 O LEU B 14 -7.197 -11.908 -18.084 1.00 0.00 O ATOM 706 CB LEU B 14 -9.361 -10.101 -20.052 1.00 0.00 C ATOM 707 CG LEU B 14 -10.755 -9.551 -20.360 1.00 0.00 C ATOM 708 CD1 LEU B 14 -11.812 -10.657 -20.275 1.00 0.00 C ATOM 709 CD2 LEU B 14 -11.092 -8.368 -19.451 1.00 0.00 C ATOM 0 H LEU B 14 -7.544 -9.334 -18.141 1.00 0.00 H new ATOM 0 HA LEU B 14 -10.130 -10.819 -18.228 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -8.630 -9.319 -20.259 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -9.155 -10.920 -20.741 1.00 0.00 H new ATOM 0 HG LEU B 14 -10.756 -9.180 -21.385 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -12.794 -10.240 -20.498 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -11.578 -11.440 -20.996 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -11.817 -11.079 -19.270 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -12.088 -7.997 -19.691 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -11.066 -8.690 -18.410 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -10.362 -7.573 -19.603 1.00 0.00 H new ATOM 720 N ASN B 15 -8.963 -12.975 -19.012 1.00 0.00 N ATOM 721 CA ASN B 15 -8.320 -14.279 -19.001 1.00 0.00 C ATOM 722 C ASN B 15 -8.094 -14.742 -20.442 1.00 0.00 C ATOM 723 O ASN B 15 -8.981 -14.618 -21.285 1.00 0.00 O ATOM 724 CB ASN B 15 -9.199 -15.319 -18.303 1.00 0.00 C ATOM 725 CG ASN B 15 -9.091 -15.197 -16.783 1.00 0.00 C ATOM 726 OD1 ASN B 15 -8.650 -14.196 -16.244 1.00 0.00 O ATOM 727 ND2 ASN B 15 -9.518 -16.269 -16.122 1.00 0.00 N ATOM 0 H ASN B 15 -9.908 -12.968 -19.396 1.00 0.00 H new ATOM 0 HA ASN B 15 -7.375 -14.186 -18.465 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -10.237 -15.187 -18.609 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -8.900 -16.320 -18.613 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -9.488 -16.285 -15.103 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -9.876 -17.075 -16.634 1.00 0.00 H new ATOM 733 N THR B 16 -6.900 -15.265 -20.680 1.00 0.00 N ATOM 734 CA THR B 16 -6.546 -15.748 -22.004 1.00 0.00 C ATOM 735 C THR B 16 -6.071 -17.200 -21.934 1.00 0.00 C ATOM 736 O THR B 16 -4.931 -17.467 -21.555 1.00 0.00 O ATOM 737 CB THR B 16 -5.500 -14.795 -22.589 1.00 0.00 C ATOM 738 OG1 THR B 16 -6.268 -13.704 -23.093 1.00 0.00 O ATOM 739 CG2 THR B 16 -4.813 -15.370 -23.830 1.00 0.00 C ATOM 0 H THR B 16 -6.166 -15.365 -19.979 1.00 0.00 H new ATOM 0 HA THR B 16 -7.411 -15.754 -22.667 1.00 0.00 H new ATOM 0 HB THR B 16 -4.751 -14.569 -21.830 1.00 0.00 H new ATOM 0 HG1 THR B 16 -5.669 -13.037 -23.489 1.00 0.00 H new ATOM 0 HG21 THR B 16 -4.081 -14.655 -24.205 1.00 0.00 H new ATOM 0 HG22 THR B 16 -4.310 -16.301 -23.569 1.00 0.00 H new ATOM 0 HG23 THR B 16 -5.558 -15.564 -24.601 1.00 0.00 H new ATOM 761 N ALA B 18 -6.287 -19.223 -19.942 1.00 0.00 N ATOM 762 CA ALA B 18 -6.233 -19.602 -18.541 1.00 0.00 C ATOM 763 C ALA B 18 -5.359 -18.603 -17.779 1.00 0.00 C ATOM 764 O ALA B 18 -5.555 -18.386 -16.585 1.00 0.00 O ATOM 765 CB ALA B 18 -5.718 -21.038 -18.419 1.00 0.00 C ATOM 0 HA ALA B 18 -7.229 -19.574 -18.098 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -5.678 -21.322 -17.367 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -6.389 -21.712 -18.951 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -4.720 -21.104 -18.851 1.00 0.00 H new ATOM 771 N VAL B 19 -4.415 -18.019 -18.503 1.00 0.00 N ATOM 772 CA VAL B 19 -3.511 -17.048 -17.910 1.00 0.00 C ATOM 773 C VAL B 19 -4.282 -15.761 -17.607 1.00 0.00 C ATOM 774 O VAL B 19 -5.287 -15.468 -18.252 1.00 0.00 O ATOM 775 CB VAL B 19 -2.310 -16.823 -18.831 1.00 0.00 C ATOM 776 CG1 VAL B 19 -2.689 -15.940 -20.021 1.00 0.00 C ATOM 777 CG2 VAL B 19 -1.132 -16.225 -18.058 1.00 0.00 C ATOM 0 H VAL B 19 -4.257 -18.200 -19.494 1.00 0.00 H new ATOM 0 HA VAL B 19 -3.114 -17.420 -16.965 1.00 0.00 H new ATOM 0 HB VAL B 19 -1.999 -17.793 -19.220 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -1.817 -15.796 -20.659 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -3.482 -16.421 -20.593 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -3.038 -14.973 -19.660 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.291 -16.075 -18.735 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -1.427 -15.268 -17.628 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.838 -16.906 -17.259 1.00 0.00 H new ATOM 787 N GLN B 20 -3.779 -15.027 -16.625 1.00 0.00 N ATOM 788 CA GLN B 20 -4.407 -13.778 -16.228 1.00 0.00 C ATOM 789 C GLN B 20 -3.542 -12.590 -16.653 1.00 0.00 C ATOM 790 O GLN B 20 -2.389 -12.477 -16.238 1.00 0.00 O ATOM 791 CB GLN B 20 -4.672 -13.752 -14.721 1.00 0.00 C ATOM 792 CG GLN B 20 -5.747 -12.722 -14.371 1.00 0.00 C ATOM 793 CD GLN B 20 -6.737 -13.288 -13.351 1.00 0.00 C ATOM 794 OE1 GLN B 20 -6.392 -14.073 -12.483 1.00 0.00 O ATOM 795 NE2 GLN B 20 -7.982 -12.846 -13.503 1.00 0.00 N ATOM 0 H GLN B 20 -2.944 -15.273 -16.093 1.00 0.00 H new ATOM 0 HA GLN B 20 -5.369 -13.701 -16.734 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -4.988 -14.740 -14.387 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -3.750 -13.515 -14.190 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -5.278 -11.824 -13.968 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -6.280 -12.426 -15.275 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -8.202 -12.189 -14.251 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -8.717 -13.164 -12.871 1.00 0.00 H new ATOM 802 N LYS B 21 -4.130 -11.735 -17.476 1.00 0.00 N ATOM 803 CA LYS B 21 -3.428 -10.558 -17.962 1.00 0.00 C ATOM 804 C LYS B 21 -4.351 -9.343 -17.867 1.00 0.00 C ATOM 805 O LYS B 21 -5.542 -9.439 -18.158 1.00 0.00 O ATOM 806 CB LYS B 21 -2.878 -10.807 -19.368 1.00 0.00 C ATOM 807 CG LYS B 21 -4.011 -11.079 -20.359 1.00 0.00 C ATOM 808 CD LYS B 21 -4.008 -10.051 -21.492 1.00 0.00 C ATOM 809 CE LYS B 21 -5.200 -9.100 -21.373 1.00 0.00 C ATOM 810 NZ LYS B 21 -5.908 -8.991 -22.667 1.00 0.00 N ATOM 0 H LYS B 21 -5.085 -11.833 -17.819 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.560 -10.346 -17.338 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -2.303 -9.941 -19.696 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -2.194 -11.656 -19.350 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -3.904 -12.082 -20.773 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -4.969 -11.049 -19.839 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -3.079 -9.481 -21.468 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -4.042 -10.564 -22.453 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -5.885 -9.461 -20.606 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -4.857 -8.115 -21.056 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -6.714 -8.342 -22.568 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -5.256 -8.625 -23.390 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -6.253 -9.929 -22.954 1.00 0.00 H new ATOM 819 N TRP B 22 -3.766 -8.225 -17.460 1.00 0.00 N ATOM 820 CA TRP B 22 -4.522 -6.992 -17.324 1.00 0.00 C ATOM 821 C TRP B 22 -3.759 -5.887 -18.060 1.00 0.00 C ATOM 822 O TRP B 22 -2.539 -5.955 -18.194 1.00 0.00 O ATOM 823 CB TRP B 22 -4.776 -6.664 -15.851 1.00 0.00 C ATOM 824 CG TRP B 22 -4.160 -7.668 -14.875 1.00 0.00 C ATOM 825 CD1 TRP B 22 -4.386 -8.986 -14.796 1.00 0.00 C ATOM 826 CD2 TRP B 22 -3.201 -7.381 -13.834 1.00 0.00 C ATOM 827 NE1 TRP B 22 -3.647 -9.568 -13.785 1.00 0.00 N ATOM 828 CE2 TRP B 22 -2.903 -8.559 -13.183 1.00 0.00 C ATOM 829 CE3 TRP B 22 -2.607 -6.163 -13.458 1.00 0.00 C ATOM 830 CZ2 TRP B 22 -2.002 -8.637 -12.113 1.00 0.00 C ATOM 831 CZ3 TRP B 22 -1.708 -6.258 -12.389 1.00 0.00 C ATOM 832 CH2 TRP B 22 -1.397 -7.437 -11.722 1.00 0.00 C ATOM 0 H TRP B 22 -2.778 -8.148 -17.220 1.00 0.00 H new ATOM 0 HA TRP B 22 -5.510 -7.093 -17.774 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -4.377 -5.673 -15.636 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -5.851 -6.619 -15.680 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -5.062 -9.526 -15.442 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -3.647 -10.555 -13.528 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -2.827 -5.229 -13.954 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -1.786 -9.572 -11.617 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -1.222 -5.352 -12.060 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -0.691 -7.427 -10.905 1.00 0.00 H new ATOM 842 N HIS B 23 -4.511 -4.897 -18.514 1.00 0.00 N ATOM 843 CA HIS B 23 -3.921 -3.778 -19.233 1.00 0.00 C ATOM 844 C HIS B 23 -4.210 -2.477 -18.483 1.00 0.00 C ATOM 845 O HIS B 23 -5.329 -2.256 -18.022 1.00 0.00 O ATOM 846 CB HIS B 23 -4.408 -3.747 -20.683 1.00 0.00 C ATOM 847 CG HIS B 23 -3.338 -4.074 -21.697 1.00 0.00 C ATOM 848 ND1 HIS B 23 -3.184 -3.371 -22.879 1.00 0.00 N ATOM 849 CD2 HIS B 23 -2.371 -5.036 -21.692 1.00 0.00 C ATOM 850 CE1 HIS B 23 -2.170 -3.895 -23.549 1.00 0.00 C ATOM 851 NE2 HIS B 23 -1.666 -4.926 -22.812 1.00 0.00 N ATOM 0 H HIS B 23 -5.523 -4.845 -18.399 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.839 -3.899 -19.277 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -5.229 -4.455 -20.795 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -4.809 -2.757 -20.900 1.00 0.00 H new ATOM 0 HD1 HIS B 23 -3.755 -2.582 -23.183 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -2.207 -5.763 -20.911 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -1.806 -3.564 -24.510 1.00 0.00 H new ATOM 858 N PHE B 24 -3.181 -1.648 -18.381 1.00 0.00 N ATOM 859 CA PHE B 24 -3.309 -0.375 -17.695 1.00 0.00 C ATOM 860 C PHE B 24 -3.058 0.792 -18.652 1.00 0.00 C ATOM 861 O PHE B 24 -1.930 1.004 -19.097 1.00 0.00 O ATOM 862 CB PHE B 24 -2.249 -0.352 -16.593 1.00 0.00 C ATOM 863 CG PHE B 24 -2.822 -0.233 -15.179 1.00 0.00 C ATOM 864 CD1 PHE B 24 -3.943 0.505 -14.960 1.00 0.00 C ATOM 865 CD2 PHE B 24 -2.213 -0.866 -14.142 1.00 0.00 C ATOM 866 CE1 PHE B 24 -4.476 0.616 -13.648 1.00 0.00 C ATOM 867 CE2 PHE B 24 -2.744 -0.755 -12.831 1.00 0.00 C ATOM 868 CZ PHE B 24 -3.865 -0.016 -12.612 1.00 0.00 C ATOM 0 H PHE B 24 -2.254 -1.834 -18.763 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.317 -0.269 -17.293 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.654 -1.263 -16.657 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.573 0.484 -16.771 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.428 1.007 -15.784 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.324 -1.454 -14.316 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.366 1.202 -13.474 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -2.258 -1.257 -12.007 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.269 0.068 -11.614 1.00 0.00 H new ATOM 877 N VAL B 25 -4.126 1.519 -18.941 1.00 0.00 N ATOM 878 CA VAL B 25 -4.037 2.659 -19.837 1.00 0.00 C ATOM 879 C VAL B 25 -4.598 3.899 -19.137 1.00 0.00 C ATOM 880 O VAL B 25 -5.789 4.190 -19.243 1.00 0.00 O ATOM 881 CB VAL B 25 -4.745 2.345 -21.156 1.00 0.00 C ATOM 882 CG1 VAL B 25 -4.008 1.247 -21.926 1.00 0.00 C ATOM 883 CG2 VAL B 25 -6.206 1.960 -20.915 1.00 0.00 C ATOM 0 H VAL B 25 -5.059 1.341 -18.570 1.00 0.00 H new ATOM 0 HA VAL B 25 -2.996 2.869 -20.084 1.00 0.00 H new ATOM 0 HB VAL B 25 -4.733 3.248 -21.767 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -4.532 1.043 -22.860 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -2.992 1.575 -22.145 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -3.974 0.340 -21.323 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -6.687 1.742 -21.869 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -6.249 1.078 -20.276 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -6.724 2.786 -20.428 1.00 0.00 H new ATOM 893 N LEU B 26 -3.714 4.597 -18.438 1.00 0.00 N ATOM 894 CA LEU B 26 -4.107 5.797 -17.722 1.00 0.00 C ATOM 895 C LEU B 26 -3.397 7.007 -18.333 1.00 0.00 C ATOM 896 O LEU B 26 -2.304 7.374 -17.899 1.00 0.00 O ATOM 897 CB LEU B 26 -3.859 5.631 -16.221 1.00 0.00 C ATOM 898 CG LEU B 26 -5.088 5.317 -15.368 1.00 0.00 C ATOM 899 CD1 LEU B 26 -5.100 3.847 -14.942 1.00 0.00 C ATOM 900 CD2 LEU B 26 -5.180 6.262 -14.168 1.00 0.00 C ATOM 0 H LEU B 26 -2.727 4.353 -18.353 1.00 0.00 H new ATOM 0 HA LEU B 26 -5.178 5.969 -17.827 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.130 4.833 -16.080 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -3.405 6.548 -15.845 1.00 0.00 H new ATOM 0 HG LEU B 26 -5.977 5.483 -15.977 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -5.985 3.651 -14.336 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -5.118 3.212 -15.828 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.205 3.630 -14.358 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -6.063 6.016 -13.578 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -4.289 6.153 -13.550 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -5.253 7.291 -14.520 1.00 0.00 H new ATOM 925 N GLY B 28 -1.146 8.661 -20.525 1.00 0.00 N ATOM 926 CA GLY B 28 0.032 8.334 -21.309 1.00 0.00 C ATOM 927 C GLY B 28 0.730 7.087 -20.758 1.00 0.00 C ATOM 928 O GLY B 28 1.708 6.612 -21.335 1.00 0.00 O ATOM 0 HA2 GLY B 28 -0.253 8.166 -22.348 1.00 0.00 H new ATOM 0 HA3 GLY B 28 0.724 9.176 -21.300 1.00 0.00 H new ATOM 932 N TYR B 29 0.198 6.593 -19.649 1.00 0.00 N ATOM 933 CA TYR B 29 0.756 5.411 -19.015 1.00 0.00 C ATOM 934 C TYR B 29 0.146 4.135 -19.600 1.00 0.00 C ATOM 935 O TYR B 29 -1.014 3.823 -19.341 1.00 0.00 O ATOM 936 CB TYR B 29 0.379 5.510 -17.536 1.00 0.00 C ATOM 937 CG TYR B 29 1.399 6.269 -16.684 1.00 0.00 C ATOM 938 CD1 TYR B 29 1.808 7.532 -17.061 1.00 0.00 C ATOM 939 CD2 TYR B 29 1.910 5.692 -15.539 1.00 0.00 C ATOM 940 CE1 TYR B 29 2.768 8.249 -16.259 1.00 0.00 C ATOM 941 CE2 TYR B 29 2.870 6.406 -14.739 1.00 0.00 C ATOM 942 CZ TYR B 29 3.251 7.649 -15.137 1.00 0.00 C ATOM 943 OH TYR B 29 4.156 8.324 -14.381 1.00 0.00 O ATOM 0 H TYR B 29 -0.613 6.990 -19.174 1.00 0.00 H new ATOM 0 HA TYR B 29 1.834 5.364 -19.170 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -0.589 6.003 -17.451 1.00 0.00 H new ATOM 0 HB3 TYR B 29 0.261 4.504 -17.133 1.00 0.00 H new ATOM 0 HD1 TYR B 29 1.409 7.984 -17.957 1.00 0.00 H new ATOM 0 HD2 TYR B 29 1.589 4.704 -15.243 1.00 0.00 H new ATOM 0 HE1 TYR B 29 3.096 9.238 -16.542 1.00 0.00 H new ATOM 0 HE2 TYR B 29 3.279 5.964 -13.842 1.00 0.00 H new ATOM 0 HH TYR B 29 4.413 7.775 -13.611 1.00 0.00 H new ATOM 952 N LYS B 30 0.957 3.432 -20.378 1.00 0.00 N ATOM 953 CA LYS B 30 0.512 2.198 -21.001 1.00 0.00 C ATOM 954 C LYS B 30 1.375 1.038 -20.499 1.00 0.00 C ATOM 955 O LYS B 30 2.377 0.690 -21.123 1.00 0.00 O ATOM 956 CB LYS B 30 0.499 2.342 -22.523 1.00 0.00 C ATOM 957 CG LYS B 30 1.704 3.151 -23.009 1.00 0.00 C ATOM 958 CD LYS B 30 1.664 3.337 -24.528 1.00 0.00 C ATOM 959 CE LYS B 30 2.558 4.500 -24.961 1.00 0.00 C ATOM 960 NZ LYS B 30 3.954 4.041 -25.142 1.00 0.00 N ATOM 0 H LYS B 30 1.920 3.694 -20.591 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.516 1.976 -20.716 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.509 1.355 -22.985 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.423 2.832 -22.837 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.714 4.125 -22.520 1.00 0.00 H new ATOM 0 HG3 LYS B 30 2.626 2.643 -22.725 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.990 2.420 -25.019 1.00 0.00 H new ATOM 0 HD3 LYS B 30 0.639 3.523 -24.848 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.185 4.926 -25.893 1.00 0.00 H new ATOM 0 HE3 LYS B 30 2.523 5.291 -24.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 4.548 4.843 -25.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 4.312 3.656 -24.245 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 3.984 3.302 -25.873 1.00 0.00 H new ATOM 969 N CYS B 31 0.956 0.473 -19.376 1.00 0.00 N ATOM 970 CA CYS B 31 1.679 -0.639 -18.785 1.00 0.00 C ATOM 971 C CYS B 31 0.839 -1.906 -18.961 1.00 0.00 C ATOM 972 O CYS B 31 -0.277 -1.993 -18.451 1.00 0.00 O ATOM 973 CB CYS B 31 2.014 -0.378 -17.315 1.00 0.00 C ATOM 974 SG CYS B 31 3.101 1.063 -17.021 1.00 0.00 S ATOM 0 H CYS B 31 0.126 0.765 -18.861 1.00 0.00 H new ATOM 0 HA CYS B 31 2.636 -0.764 -19.292 1.00 0.00 H new ATOM 0 HB2 CYS B 31 1.084 -0.232 -16.765 1.00 0.00 H new ATOM 0 HB3 CYS B 31 2.492 -1.266 -16.903 1.00 0.00 H new ATOM 978 N GLU B 32 1.408 -2.859 -19.687 1.00 0.00 N ATOM 979 CA GLU B 32 0.726 -4.117 -19.938 1.00 0.00 C ATOM 980 C GLU B 32 1.393 -5.248 -19.153 1.00 0.00 C ATOM 981 O GLU B 32 2.617 -5.372 -19.156 1.00 0.00 O ATOM 982 CB GLU B 32 0.692 -4.432 -21.434 1.00 0.00 C ATOM 983 CG GLU B 32 2.103 -4.444 -22.024 1.00 0.00 C ATOM 984 CD GLU B 32 2.130 -5.173 -23.369 1.00 0.00 C ATOM 985 OE1 GLU B 32 2.227 -4.526 -24.423 1.00 0.00 O ATOM 986 OE2 GLU B 32 2.043 -6.458 -23.296 1.00 0.00 O ATOM 0 H GLU B 32 2.334 -2.784 -20.109 1.00 0.00 H new ATOM 0 HA GLU B 32 -0.305 -4.024 -19.597 1.00 0.00 H new ATOM 0 HB2 GLU B 32 0.219 -5.401 -21.595 1.00 0.00 H new ATOM 0 HB3 GLU B 32 0.084 -3.690 -21.952 1.00 0.00 H new ATOM 0 HG2 GLU B 32 2.455 -3.421 -22.154 1.00 0.00 H new ATOM 0 HG3 GLU B 32 2.787 -4.931 -21.329 1.00 0.00 H new ATOM 992 N ILE B 33 0.560 -6.045 -18.500 1.00 0.00 N ATOM 993 CA ILE B 33 1.053 -7.161 -17.714 1.00 0.00 C ATOM 994 C ILE B 33 0.507 -8.468 -18.291 1.00 0.00 C ATOM 995 O ILE B 33 -0.659 -8.540 -18.677 1.00 0.00 O ATOM 996 CB ILE B 33 0.727 -6.960 -16.232 1.00 0.00 C ATOM 997 CG1 ILE B 33 0.591 -5.472 -15.898 1.00 0.00 C ATOM 998 CG2 ILE B 33 1.760 -7.655 -15.343 1.00 0.00 C ATOM 999 CD1 ILE B 33 1.935 -4.755 -16.037 1.00 0.00 C ATOM 0 H ILE B 33 -0.454 -5.939 -18.500 1.00 0.00 H new ATOM 0 HA ILE B 33 2.140 -7.216 -17.773 1.00 0.00 H new ATOM 0 HB ILE B 33 -0.237 -7.426 -16.028 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.141 -5.012 -16.562 1.00 0.00 H new ATOM 0 HG13 ILE B 33 0.216 -5.356 -14.881 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.504 -7.496 -14.295 1.00 0.00 H new ATOM 0 HG22 ILE B 33 1.764 -8.724 -15.557 1.00 0.00 H new ATOM 0 HG23 ILE B 33 2.749 -7.241 -15.542 1.00 0.00 H new ATOM 0 HD11 ILE B 33 1.811 -3.700 -15.794 1.00 0.00 H new ATOM 0 HD12 ILE B 33 2.658 -5.202 -15.355 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.295 -4.852 -17.061 1.00 0.00 H new ATOM 1010 N LEU B 34 1.374 -9.469 -18.333 1.00 0.00 N ATOM 1011 CA LEU B 34 0.993 -10.769 -18.856 1.00 0.00 C ATOM 1012 C LEU B 34 1.364 -11.852 -17.841 1.00 0.00 C ATOM 1013 O LEU B 34 2.471 -12.385 -17.872 1.00 0.00 O ATOM 1014 CB LEU B 34 1.605 -10.989 -20.241 1.00 0.00 C ATOM 1015 CG LEU B 34 0.916 -12.034 -21.122 1.00 0.00 C ATOM 1016 CD1 LEU B 34 1.038 -11.671 -22.603 1.00 0.00 C ATOM 1017 CD2 LEU B 34 1.453 -13.436 -20.829 1.00 0.00 C ATOM 0 H LEU B 34 2.340 -9.405 -18.013 1.00 0.00 H new ATOM 0 HA LEU B 34 -0.087 -10.821 -18.997 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.603 -10.037 -20.772 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.647 -11.281 -20.113 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.147 -12.038 -20.879 1.00 0.00 H new ATOM 0 HD11 LEU B 34 0.540 -12.430 -23.206 1.00 0.00 H new ATOM 0 HD12 LEU B 34 0.570 -10.703 -22.780 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.091 -11.621 -22.880 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.947 -14.160 -21.468 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.525 -13.464 -21.026 1.00 0.00 H new ATOM 0 HD23 LEU B 34 1.270 -13.685 -19.784 1.00 0.00 H new ATOM 1028 N ALA B 35 0.415 -12.145 -16.965 1.00 0.00 N ATOM 1029 CA ALA B 35 0.627 -13.155 -15.942 1.00 0.00 C ATOM 1030 C ALA B 35 -0.450 -14.234 -16.065 1.00 0.00 C ATOM 1031 O ALA B 35 -1.315 -14.354 -15.197 1.00 0.00 O ATOM 1032 CB ALA B 35 0.634 -12.492 -14.564 1.00 0.00 C ATOM 0 H ALA B 35 -0.503 -11.701 -16.942 1.00 0.00 H new ATOM 0 HA ALA B 35 1.594 -13.639 -16.076 1.00 0.00 H new ATOM 0 HB1 ALA B 35 0.793 -13.250 -13.797 1.00 0.00 H new ATOM 0 HB2 ALA B 35 1.436 -11.756 -14.519 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -0.322 -11.998 -14.393 1.00 0.00 H new