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 5 LYS NZ :NH3+ -140:sc= 0.652 (180deg=0) USER MOD Set 1.2: B 7 THR OG1 : rot -170:sc= 0.656 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0793 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.84 K(o=-1.8,f=-7.1!) USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= -0.219 (180deg=-0.563) USER MOD Single : A 23 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.3) 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 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.4) USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HD1:sc= -0.664 X(o=-0.66,f=-0.69) USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.191) USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 6 19.700 6.851 -21.861 1.00 0.00 N ATOM 70 CA PHE A 6 20.368 6.580 -20.598 1.00 0.00 C ATOM 71 C PHE A 6 19.974 5.204 -20.055 1.00 0.00 C ATOM 72 O PHE A 6 18.893 4.700 -20.354 1.00 0.00 O ATOM 73 CB PHE A 6 19.913 7.654 -19.610 1.00 0.00 C ATOM 74 CG PHE A 6 20.880 8.832 -19.482 1.00 0.00 C ATOM 75 CD1 PHE A 6 20.793 9.881 -20.343 1.00 0.00 C ATOM 76 CD2 PHE A 6 21.829 8.829 -18.507 1.00 0.00 C ATOM 77 CE1 PHE A 6 21.692 10.973 -20.225 1.00 0.00 C ATOM 78 CE2 PHE A 6 22.729 9.922 -18.389 1.00 0.00 C ATOM 79 CZ PHE A 6 22.641 10.971 -19.250 1.00 0.00 C ATOM 0 HA PHE A 6 21.449 6.591 -20.739 1.00 0.00 H new ATOM 0 HB2 PHE A 6 18.938 8.030 -19.921 1.00 0.00 H new ATOM 0 HB3 PHE A 6 19.781 7.198 -18.629 1.00 0.00 H new ATOM 0 HD1 PHE A 6 20.040 9.883 -21.117 1.00 0.00 H new ATOM 0 HD2 PHE A 6 21.898 7.996 -17.823 1.00 0.00 H new ATOM 0 HE1 PHE A 6 21.623 11.806 -20.909 1.00 0.00 H new ATOM 0 HE2 PHE A 6 23.483 9.920 -17.616 1.00 0.00 H new ATOM 0 HZ PHE A 6 23.324 11.802 -19.160 1.00 0.00 H new ATOM 88 N THR A 7 20.873 4.636 -19.265 1.00 0.00 N ATOM 89 CA THR A 7 20.634 3.328 -18.678 1.00 0.00 C ATOM 90 C THR A 7 20.552 3.436 -17.153 1.00 0.00 C ATOM 91 O THR A 7 21.423 4.034 -16.521 1.00 0.00 O ATOM 92 CB THR A 7 21.735 2.384 -19.162 1.00 0.00 C ATOM 93 OG1 THR A 7 21.390 1.124 -18.588 1.00 0.00 O ATOM 94 CG2 THR A 7 23.099 2.711 -18.547 1.00 0.00 C ATOM 0 H THR A 7 21.768 5.057 -19.017 1.00 0.00 H new ATOM 0 HA THR A 7 19.674 2.920 -18.996 1.00 0.00 H new ATOM 0 HB THR A 7 21.804 2.435 -20.249 1.00 0.00 H new ATOM 0 HG1 THR A 7 22.052 0.452 -18.853 1.00 0.00 H new ATOM 0 HG21 THR A 7 23.845 2.011 -18.924 1.00 0.00 H new ATOM 0 HG22 THR A 7 23.386 3.727 -18.817 1.00 0.00 H new ATOM 0 HG23 THR A 7 23.038 2.627 -17.462 1.00 0.00 H new ATOM 102 N VAL A 8 19.497 2.850 -16.607 1.00 0.00 N ATOM 103 CA VAL A 8 19.290 2.874 -15.169 1.00 0.00 C ATOM 104 C VAL A 8 19.124 1.440 -14.659 1.00 0.00 C ATOM 105 O VAL A 8 18.016 1.015 -14.339 1.00 0.00 O ATOM 106 CB VAL A 8 18.098 3.770 -14.826 1.00 0.00 C ATOM 107 CG1 VAL A 8 17.754 3.679 -13.339 1.00 0.00 C ATOM 108 CG2 VAL A 8 18.366 5.219 -15.241 1.00 0.00 C ATOM 0 H VAL A 8 18.777 2.356 -17.134 1.00 0.00 H new ATOM 0 HA VAL A 8 20.157 3.302 -14.666 1.00 0.00 H new ATOM 0 HB VAL A 8 17.236 3.414 -15.390 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.904 4.325 -13.122 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.501 2.649 -13.086 1.00 0.00 H new ATOM 0 HG13 VAL A 8 18.612 3.997 -12.747 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.504 5.836 -14.987 1.00 0.00 H new ATOM 0 HG22 VAL A 8 19.246 5.591 -14.716 1.00 0.00 H new ATOM 0 HG23 VAL A 8 18.539 5.263 -16.316 1.00 0.00 H new ATOM 132 N GLY A 10 18.464 -2.025 -14.962 1.00 0.00 N ATOM 133 CA GLY A 10 17.794 -2.920 -15.890 1.00 0.00 C ATOM 134 C GLY A 10 16.735 -2.175 -16.704 1.00 0.00 C ATOM 135 O GLY A 10 16.142 -2.737 -17.622 1.00 0.00 O ATOM 0 HA2 GLY A 10 18.526 -3.367 -16.562 1.00 0.00 H new ATOM 0 HA3 GLY A 10 17.327 -3.737 -15.340 1.00 0.00 H new ATOM 139 N ARG A 11 16.529 -0.918 -16.336 1.00 0.00 N ATOM 140 CA ARG A 11 15.551 -0.089 -17.021 1.00 0.00 C ATOM 141 C ARG A 11 16.227 1.150 -17.612 1.00 0.00 C ATOM 142 O ARG A 11 16.933 1.871 -16.908 1.00 0.00 O ATOM 143 CB ARG A 11 14.439 0.352 -16.068 1.00 0.00 C ATOM 144 CG ARG A 11 15.015 1.074 -14.849 1.00 0.00 C ATOM 145 CD ARG A 11 15.286 0.090 -13.706 1.00 0.00 C ATOM 146 NE ARG A 11 15.749 0.824 -12.507 1.00 0.00 N ATOM 147 CZ ARG A 11 14.984 1.684 -11.803 1.00 0.00 C ATOM 148 NH1 ARG A 11 13.708 1.927 -12.174 1.00 0.00 N ATOM 149 NH2 ARG A 11 15.500 2.284 -10.748 1.00 0.00 N ATOM 0 H ARG A 11 17.022 -0.454 -15.573 1.00 0.00 H new ATOM 0 HA ARG A 11 15.113 -0.685 -17.821 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.747 1.011 -16.592 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.867 -0.518 -15.743 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.940 1.580 -15.125 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.319 1.843 -14.514 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.380 -0.469 -13.473 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.039 -0.637 -14.011 1.00 0.00 H new ATOM 0 HE ARG A 11 16.707 0.670 -12.193 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.317 1.459 -12.991 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.136 2.578 -11.637 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.464 2.095 -10.475 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.935 2.937 -10.205 1.00 0.00 H new ATOM 159 N THR A 12 15.987 1.358 -18.898 1.00 0.00 N ATOM 160 CA THR A 12 16.564 2.499 -19.592 1.00 0.00 C ATOM 161 C THR A 12 15.458 3.399 -20.147 1.00 0.00 C ATOM 162 O THR A 12 14.426 2.911 -20.605 1.00 0.00 O ATOM 163 CB THR A 12 17.513 1.967 -20.667 1.00 0.00 C ATOM 164 OG1 THR A 12 16.654 1.310 -21.595 1.00 0.00 O ATOM 165 CG2 THR A 12 18.421 0.851 -20.147 1.00 0.00 C ATOM 0 H THR A 12 15.402 0.757 -19.478 1.00 0.00 H new ATOM 0 HA THR A 12 17.140 3.127 -18.912 1.00 0.00 H new ATOM 0 HB THR A 12 18.124 2.785 -21.047 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.188 0.937 -22.327 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.074 0.510 -20.950 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.026 1.229 -19.323 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.810 0.019 -19.797 1.00 0.00 H new ATOM 173 N ALA A 13 15.714 4.698 -20.092 1.00 0.00 N ATOM 174 CA ALA A 13 14.753 5.671 -20.585 1.00 0.00 C ATOM 175 C ALA A 13 15.483 6.717 -21.430 1.00 0.00 C ATOM 176 O ALA A 13 16.606 7.105 -21.112 1.00 0.00 O ATOM 177 CB ALA A 13 14.007 6.293 -19.405 1.00 0.00 C ATOM 0 H ALA A 13 16.572 5.099 -19.714 1.00 0.00 H new ATOM 0 HA ALA A 13 14.011 5.190 -21.223 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.286 7.023 -19.774 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.483 5.512 -18.854 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.719 6.788 -18.745 1.00 0.00 H new ATOM 183 N LEU A 14 14.814 7.144 -22.492 1.00 0.00 N ATOM 184 CA LEU A 14 15.385 8.138 -23.386 1.00 0.00 C ATOM 185 C LEU A 14 14.529 9.406 -23.344 1.00 0.00 C ATOM 186 O LEU A 14 13.362 9.359 -22.956 1.00 0.00 O ATOM 187 CB LEU A 14 15.557 7.558 -24.790 1.00 0.00 C ATOM 188 CG LEU A 14 14.268 7.304 -25.574 1.00 0.00 C ATOM 189 CD1 LEU A 14 14.477 7.553 -27.069 1.00 0.00 C ATOM 190 CD2 LEU A 14 13.727 5.898 -25.299 1.00 0.00 C ATOM 0 H LEU A 14 13.883 6.820 -22.753 1.00 0.00 H new ATOM 0 HA LEU A 14 16.386 8.418 -23.057 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.182 8.238 -25.368 1.00 0.00 H new ATOM 0 HB3 LEU A 14 16.101 6.617 -24.709 1.00 0.00 H new ATOM 0 HG LEU A 14 13.515 8.013 -25.231 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.545 7.365 -27.603 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.783 8.587 -27.226 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.251 6.884 -27.444 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.811 5.743 -25.868 1.00 0.00 H new ATOM 0 HD22 LEU A 14 14.469 5.158 -25.598 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.516 5.791 -24.235 1.00 0.00 H new ATOM 201 N ASN A 15 15.141 10.508 -23.748 1.00 0.00 N ATOM 202 CA ASN A 15 14.451 11.787 -23.762 1.00 0.00 C ATOM 203 C ASN A 15 14.335 12.282 -25.206 1.00 0.00 C ATOM 204 O ASN A 15 15.221 12.977 -25.700 1.00 0.00 O ATOM 205 CB ASN A 15 15.221 12.838 -22.962 1.00 0.00 C ATOM 206 CG ASN A 15 15.128 12.560 -21.459 1.00 0.00 C ATOM 207 OD1 ASN A 15 16.019 11.988 -20.852 1.00 0.00 O ATOM 208 ND2 ASN A 15 14.004 12.994 -20.898 1.00 0.00 N ATOM 0 H ASN A 15 16.109 10.542 -24.069 1.00 0.00 H new ATOM 0 HA ASN A 15 13.467 11.645 -23.315 1.00 0.00 H new ATOM 0 HB2 ASN A 15 16.266 12.841 -23.271 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.822 13.829 -23.178 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.846 12.856 -19.900 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.300 13.465 -21.466 1.00 0.00 H new ATOM 214 N THR A 16 13.235 11.906 -25.840 1.00 0.00 N ATOM 215 CA THR A 16 12.990 12.304 -27.215 1.00 0.00 C ATOM 216 C THR A 16 11.648 13.030 -27.330 1.00 0.00 C ATOM 217 O THR A 16 10.678 12.658 -26.670 1.00 0.00 O ATOM 218 CB THR A 16 13.084 11.054 -28.092 1.00 0.00 C ATOM 219 OG1 THR A 16 12.898 11.546 -29.418 1.00 0.00 O ATOM 220 CG2 THR A 16 11.904 10.101 -27.882 1.00 0.00 C ATOM 0 H THR A 16 12.502 11.329 -25.426 1.00 0.00 H new ATOM 0 HA THR A 16 13.738 13.017 -27.560 1.00 0.00 H new ATOM 0 HB THR A 16 14.017 10.531 -27.880 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.946 10.801 -30.053 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.020 9.231 -28.528 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.877 9.779 -26.841 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.974 10.614 -28.127 1.00 0.00 H new ATOM 242 N ALA A 18 10.974 15.624 -26.189 1.00 0.00 N ATOM 243 CA ALA A 18 10.838 16.439 -24.994 1.00 0.00 C ATOM 244 C ALA A 18 9.904 15.739 -24.006 1.00 0.00 C ATOM 245 O ALA A 18 9.328 16.380 -23.130 1.00 0.00 O ATOM 246 CB ALA A 18 10.340 17.834 -25.381 1.00 0.00 C ATOM 0 HA ALA A 18 11.803 16.562 -24.502 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.238 18.446 -24.485 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.055 18.300 -26.059 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.372 17.751 -25.875 1.00 0.00 H new ATOM 252 N VAL A 19 9.781 14.432 -24.183 1.00 0.00 N ATOM 253 CA VAL A 19 8.925 13.636 -23.319 1.00 0.00 C ATOM 254 C VAL A 19 9.778 12.614 -22.563 1.00 0.00 C ATOM 255 O VAL A 19 10.967 12.468 -22.841 1.00 0.00 O ATOM 256 CB VAL A 19 7.806 12.993 -24.139 1.00 0.00 C ATOM 257 CG1 VAL A 19 6.930 14.059 -24.802 1.00 0.00 C ATOM 258 CG2 VAL A 19 8.375 12.026 -25.178 1.00 0.00 C ATOM 0 H VAL A 19 10.260 13.904 -24.912 1.00 0.00 H new ATOM 0 HA VAL A 19 8.441 14.268 -22.574 1.00 0.00 H new ATOM 0 HB VAL A 19 7.177 12.420 -23.457 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.142 13.575 -25.379 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.482 14.691 -24.035 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.541 14.671 -25.465 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.558 11.582 -25.748 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.037 12.567 -25.854 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.935 11.239 -24.674 1.00 0.00 H new ATOM 268 N GLN A 20 9.135 11.933 -21.627 1.00 0.00 N ATOM 269 CA GLN A 20 9.821 10.928 -20.831 1.00 0.00 C ATOM 270 C GLN A 20 9.477 9.525 -21.336 1.00 0.00 C ATOM 271 O GLN A 20 8.333 9.086 -21.228 1.00 0.00 O ATOM 272 CB GLN A 20 9.475 11.076 -19.348 1.00 0.00 C ATOM 273 CG GLN A 20 10.403 12.085 -18.667 1.00 0.00 C ATOM 274 CD GLN A 20 11.688 11.411 -18.184 1.00 0.00 C ATOM 275 OE1 GLN A 20 11.886 10.216 -18.332 1.00 0.00 O ATOM 276 NE2 GLN A 20 12.548 12.240 -17.600 1.00 0.00 N ATOM 0 H GLN A 20 8.148 12.056 -21.401 1.00 0.00 H new ATOM 0 HA GLN A 20 10.895 11.078 -20.938 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.440 11.400 -19.243 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.558 10.108 -18.853 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.649 12.886 -19.364 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.889 12.544 -17.822 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.320 13.230 -17.508 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.436 11.886 -17.244 1.00 0.00 H new ATOM 283 N LYS A 21 10.488 8.863 -21.878 1.00 0.00 N ATOM 284 CA LYS A 21 10.308 7.520 -22.401 1.00 0.00 C ATOM 285 C LYS A 21 11.065 6.526 -21.517 1.00 0.00 C ATOM 286 O LYS A 21 12.274 6.354 -21.667 1.00 0.00 O ATOM 287 CB LYS A 21 10.709 7.459 -23.876 1.00 0.00 C ATOM 288 CG LYS A 21 9.490 7.631 -24.784 1.00 0.00 C ATOM 289 CD LYS A 21 9.206 6.348 -25.569 1.00 0.00 C ATOM 290 CE LYS A 21 7.860 5.745 -25.165 1.00 0.00 C ATOM 291 NZ LYS A 21 7.267 4.996 -26.296 1.00 0.00 N ATOM 0 H LYS A 21 11.435 9.232 -21.966 1.00 0.00 H new ATOM 0 HA LYS A 21 9.255 7.239 -22.369 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.439 8.239 -24.090 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.191 6.504 -24.086 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.619 7.895 -24.184 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.661 8.455 -25.477 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.206 6.564 -26.637 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.001 5.624 -25.390 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.994 5.080 -24.311 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.180 6.536 -24.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.618 4.270 -25.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.742 5.652 -26.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.023 4.539 -26.845 1.00 0.00 H new ATOM 300 N TRP A 22 10.324 5.901 -20.615 1.00 0.00 N ATOM 301 CA TRP A 22 10.911 4.930 -19.706 1.00 0.00 C ATOM 302 C TRP A 22 10.456 3.538 -20.144 1.00 0.00 C ATOM 303 O TRP A 22 9.259 3.284 -20.279 1.00 0.00 O ATOM 304 CB TRP A 22 10.547 5.248 -18.255 1.00 0.00 C ATOM 305 CG TRP A 22 11.521 6.205 -17.564 1.00 0.00 C ATOM 306 CD1 TRP A 22 11.552 7.543 -17.635 1.00 0.00 C ATOM 307 CD2 TRP A 22 12.610 5.840 -16.690 1.00 0.00 C ATOM 308 NE1 TRP A 22 12.579 8.064 -16.872 1.00 0.00 N ATOM 309 CE2 TRP A 22 13.242 6.997 -16.281 1.00 0.00 C ATOM 310 CE3 TRP A 22 13.047 4.574 -16.261 1.00 0.00 C ATOM 311 CZ2 TRP A 22 14.347 7.003 -15.421 1.00 0.00 C ATOM 312 CZ3 TRP A 22 14.153 4.598 -15.401 1.00 0.00 C ATOM 313 CH2 TRP A 22 14.800 5.754 -14.980 1.00 0.00 C ATOM 0 H TRP A 22 9.322 6.048 -20.493 1.00 0.00 H new ATOM 0 HA TRP A 22 11.999 4.970 -19.749 1.00 0.00 H new ATOM 0 HB2 TRP A 22 9.547 5.682 -18.229 1.00 0.00 H new ATOM 0 HB3 TRP A 22 10.505 4.317 -17.689 1.00 0.00 H new ATOM 0 HD1 TRP A 22 10.862 8.138 -18.215 1.00 0.00 H new ATOM 0 HE1 TRP A 22 12.808 9.052 -16.763 1.00 0.00 H new ATOM 0 HE3 TRP A 22 12.568 3.656 -16.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 14.824 7.922 -15.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.529 3.652 -15.040 1.00 0.00 H new ATOM 0 HH2 TRP A 22 15.649 5.689 -14.315 1.00 0.00 H new ATOM 323 N HIS A 23 11.434 2.670 -20.358 1.00 0.00 N ATOM 324 CA HIS A 23 11.149 1.308 -20.779 1.00 0.00 C ATOM 325 C HIS A 23 11.610 0.330 -19.698 1.00 0.00 C ATOM 326 O HIS A 23 12.800 0.247 -19.397 1.00 0.00 O ATOM 327 CB HIS A 23 11.775 1.020 -22.145 1.00 0.00 C ATOM 328 CG HIS A 23 11.603 -0.406 -22.611 1.00 0.00 C ATOM 329 ND1 HIS A 23 10.436 -0.869 -23.194 1.00 0.00 N ATOM 330 CD2 HIS A 23 12.463 -1.465 -22.575 1.00 0.00 C ATOM 331 CE1 HIS A 23 10.597 -2.150 -23.490 1.00 0.00 C ATOM 332 NE2 HIS A 23 11.852 -2.518 -23.105 1.00 0.00 N ATOM 0 H HIS A 23 12.425 2.883 -20.248 1.00 0.00 H new ATOM 0 HA HIS A 23 10.074 1.179 -20.902 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.333 1.689 -22.884 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.839 1.251 -22.102 1.00 0.00 H new ATOM 0 HD2 HIS A 23 13.469 -1.449 -22.182 1.00 0.00 H new ATOM 0 HE1 HIS A 23 9.863 -2.791 -23.955 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.255 -3.449 -23.207 1.00 0.00 H new ATOM 339 N PHE A 24 10.644 -0.386 -19.143 1.00 0.00 N ATOM 340 CA PHE A 24 10.935 -1.357 -18.100 1.00 0.00 C ATOM 341 C PHE A 24 10.276 -2.704 -18.405 1.00 0.00 C ATOM 342 O PHE A 24 9.051 -2.797 -18.474 1.00 0.00 O ATOM 343 CB PHE A 24 10.356 -0.802 -16.798 1.00 0.00 C ATOM 344 CG PHE A 24 11.135 -1.214 -15.546 1.00 0.00 C ATOM 345 CD1 PHE A 24 11.600 -2.485 -15.422 1.00 0.00 C ATOM 346 CD2 PHE A 24 11.358 -0.307 -14.557 1.00 0.00 C ATOM 347 CE1 PHE A 24 12.322 -2.866 -14.261 1.00 0.00 C ATOM 348 CE2 PHE A 24 12.079 -0.689 -13.395 1.00 0.00 C ATOM 349 CZ PHE A 24 12.547 -1.960 -13.271 1.00 0.00 C ATOM 0 H PHE A 24 9.658 -0.314 -19.395 1.00 0.00 H new ATOM 0 HA PHE A 24 12.011 -1.517 -18.031 1.00 0.00 H new ATOM 0 HB2 PHE A 24 10.332 0.286 -16.857 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.324 -1.138 -16.699 1.00 0.00 H new ATOM 0 HD1 PHE A 24 11.420 -3.205 -16.207 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.987 0.702 -14.656 1.00 0.00 H new ATOM 0 HE1 PHE A 24 12.693 -3.876 -14.163 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.256 0.030 -12.609 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.097 -2.250 -12.388 1.00 0.00 H new ATOM 358 N VAL A 25 11.117 -3.712 -18.579 1.00 0.00 N ATOM 359 CA VAL A 25 10.631 -5.049 -18.875 1.00 0.00 C ATOM 360 C VAL A 25 11.217 -6.036 -17.863 1.00 0.00 C ATOM 361 O VAL A 25 12.436 -6.146 -17.731 1.00 0.00 O ATOM 362 CB VAL A 25 10.958 -5.416 -20.325 1.00 0.00 C ATOM 363 CG1 VAL A 25 10.558 -6.861 -20.629 1.00 0.00 C ATOM 364 CG2 VAL A 25 10.289 -4.446 -21.300 1.00 0.00 C ATOM 0 H VAL A 25 12.132 -3.630 -18.521 1.00 0.00 H new ATOM 0 HA VAL A 25 9.546 -5.090 -18.779 1.00 0.00 H new ATOM 0 HB VAL A 25 12.037 -5.333 -20.456 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.801 -7.096 -21.665 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.101 -7.536 -19.967 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.486 -6.983 -20.471 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.537 -4.729 -22.323 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.208 -4.483 -21.166 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.644 -3.434 -21.107 1.00 0.00 H new ATOM 374 N LEU A 26 10.322 -6.727 -17.173 1.00 0.00 N ATOM 375 CA LEU A 26 10.736 -7.700 -16.176 1.00 0.00 C ATOM 376 C LEU A 26 9.918 -8.981 -16.351 1.00 0.00 C ATOM 377 O LEU A 26 8.998 -9.245 -15.579 1.00 0.00 O ATOM 378 CB LEU A 26 10.645 -7.100 -14.772 1.00 0.00 C ATOM 379 CG LEU A 26 11.977 -6.741 -14.108 1.00 0.00 C ATOM 380 CD1 LEU A 26 11.751 -6.018 -12.781 1.00 0.00 C ATOM 381 CD2 LEU A 26 12.859 -7.981 -13.943 1.00 0.00 C ATOM 0 H LEU A 26 9.312 -6.633 -17.284 1.00 0.00 H new ATOM 0 HA LEU A 26 11.783 -7.967 -16.316 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.032 -6.200 -14.822 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.120 -7.807 -14.129 1.00 0.00 H new ATOM 0 HG LEU A 26 12.510 -6.051 -14.763 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.713 -5.775 -12.331 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.191 -5.100 -12.958 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.188 -6.663 -12.107 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.799 -7.698 -13.469 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.345 -8.713 -13.321 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.062 -8.416 -14.922 1.00 0.00 H new ATOM 406 N GLY A 28 7.197 -11.053 -17.564 1.00 0.00 N ATOM 407 CA GLY A 28 5.839 -10.856 -18.040 1.00 0.00 C ATOM 408 C GLY A 28 5.253 -9.548 -17.505 1.00 0.00 C ATOM 409 O GLY A 28 4.179 -9.125 -17.931 1.00 0.00 O ATOM 0 HA2 GLY A 28 5.831 -10.843 -19.130 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.215 -11.693 -17.726 1.00 0.00 H new ATOM 413 N TYR A 29 5.985 -8.944 -16.581 1.00 0.00 N ATOM 414 CA TYR A 29 5.552 -7.693 -15.983 1.00 0.00 C ATOM 415 C TYR A 29 6.419 -6.527 -16.462 1.00 0.00 C ATOM 416 O TYR A 29 7.550 -6.361 -16.005 1.00 0.00 O ATOM 417 CB TYR A 29 5.732 -7.861 -14.473 1.00 0.00 C ATOM 418 CG TYR A 29 4.723 -7.074 -13.635 1.00 0.00 C ATOM 419 CD1 TYR A 29 4.846 -5.705 -13.511 1.00 0.00 C ATOM 420 CD2 TYR A 29 3.692 -7.736 -12.999 1.00 0.00 C ATOM 421 CE1 TYR A 29 3.895 -4.966 -12.721 1.00 0.00 C ATOM 422 CE2 TYR A 29 2.742 -6.995 -12.209 1.00 0.00 C ATOM 423 CZ TYR A 29 2.891 -5.647 -12.110 1.00 0.00 C ATOM 424 OH TYR A 29 1.994 -4.948 -11.363 1.00 0.00 O ATOM 0 H TYR A 29 6.876 -9.298 -16.232 1.00 0.00 H new ATOM 0 HA TYR A 29 4.520 -7.474 -16.258 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.650 -8.919 -14.223 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.739 -7.546 -14.200 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.655 -5.188 -14.006 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.598 -8.808 -13.093 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.978 -3.894 -12.617 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.930 -7.499 -11.707 1.00 0.00 H new ATOM 0 HH TYR A 29 1.331 -5.564 -10.987 1.00 0.00 H new ATOM 433 N LYS A 30 5.858 -5.751 -17.376 1.00 0.00 N ATOM 434 CA LYS A 30 6.568 -4.604 -17.922 1.00 0.00 C ATOM 435 C LYS A 30 5.640 -3.388 -17.918 1.00 0.00 C ATOM 436 O LYS A 30 4.433 -3.522 -18.112 1.00 0.00 O ATOM 437 CB LYS A 30 7.138 -4.936 -19.302 1.00 0.00 C ATOM 438 CG LYS A 30 6.022 -5.119 -20.330 1.00 0.00 C ATOM 439 CD LYS A 30 6.355 -6.247 -21.309 1.00 0.00 C ATOM 440 CE LYS A 30 5.506 -6.140 -22.577 1.00 0.00 C ATOM 441 NZ LYS A 30 4.217 -6.847 -22.401 1.00 0.00 N ATOM 0 H LYS A 30 4.921 -5.892 -17.753 1.00 0.00 H new ATOM 0 HA LYS A 30 7.426 -4.354 -17.298 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.806 -4.137 -19.624 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.735 -5.846 -19.243 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.085 -5.341 -19.819 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.873 -4.189 -20.879 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.412 -6.206 -21.570 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.182 -7.211 -20.831 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.323 -5.091 -22.811 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.048 -6.565 -23.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.654 -6.764 -23.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.397 -7.851 -22.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.694 -6.423 -21.608 1.00 0.00 H new ATOM 450 N CYS A 31 6.240 -2.228 -17.696 1.00 0.00 N ATOM 451 CA CYS A 31 5.484 -0.988 -17.662 1.00 0.00 C ATOM 452 C CYS A 31 6.093 -0.026 -18.686 1.00 0.00 C ATOM 453 O CYS A 31 7.264 0.335 -18.583 1.00 0.00 O ATOM 454 CB CYS A 31 5.452 -0.381 -16.258 1.00 0.00 C ATOM 455 SG CYS A 31 4.047 -0.924 -15.219 1.00 0.00 S ATOM 0 H CYS A 31 7.242 -2.121 -17.538 1.00 0.00 H new ATOM 0 HA CYS A 31 4.445 -1.187 -17.923 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.382 -0.632 -15.747 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.421 0.705 -16.348 1.00 0.00 H new ATOM 459 N GLU A 32 5.269 0.360 -19.650 1.00 0.00 N ATOM 460 CA GLU A 32 5.713 1.272 -20.691 1.00 0.00 C ATOM 461 C GLU A 32 5.185 2.682 -20.421 1.00 0.00 C ATOM 462 O GLU A 32 3.979 2.919 -20.479 1.00 0.00 O ATOM 463 CB GLU A 32 5.277 0.778 -22.073 1.00 0.00 C ATOM 464 CG GLU A 32 6.489 0.439 -22.941 1.00 0.00 C ATOM 465 CD GLU A 32 6.469 -1.033 -23.360 1.00 0.00 C ATOM 466 OE1 GLU A 32 6.419 -1.922 -22.498 1.00 0.00 O ATOM 467 OE2 GLU A 32 6.506 -1.238 -24.634 1.00 0.00 O ATOM 0 H GLU A 32 4.298 0.058 -19.732 1.00 0.00 H new ATOM 0 HA GLU A 32 6.802 1.305 -20.679 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.644 -0.103 -21.965 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.676 1.544 -22.564 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.495 1.073 -23.828 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.406 0.652 -22.391 1.00 0.00 H new ATOM 473 N ILE A 33 6.112 3.581 -20.130 1.00 0.00 N ATOM 474 CA ILE A 33 5.756 4.961 -19.852 1.00 0.00 C ATOM 475 C ILE A 33 6.052 5.820 -21.082 1.00 0.00 C ATOM 476 O ILE A 33 7.198 6.203 -21.316 1.00 0.00 O ATOM 477 CB ILE A 33 6.455 5.448 -18.580 1.00 0.00 C ATOM 478 CG1 ILE A 33 6.559 4.325 -17.547 1.00 0.00 C ATOM 479 CG2 ILE A 33 5.759 6.687 -18.012 1.00 0.00 C ATOM 480 CD1 ILE A 33 5.172 3.885 -17.073 1.00 0.00 C ATOM 0 H ILE A 33 7.111 3.380 -20.081 1.00 0.00 H new ATOM 0 HA ILE A 33 4.687 5.045 -19.655 1.00 0.00 H new ATOM 0 HB ILE A 33 7.472 5.741 -18.840 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.086 3.475 -17.981 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.148 4.664 -16.695 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.275 7.012 -17.109 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.781 7.488 -18.751 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.724 6.444 -17.771 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.275 3.086 -16.339 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.658 4.731 -16.618 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.594 3.524 -17.924 1.00 0.00 H new ATOM 491 N LEU A 34 5.000 6.097 -21.838 1.00 0.00 N ATOM 492 CA LEU A 34 5.133 6.903 -23.040 1.00 0.00 C ATOM 493 C LEU A 34 4.467 8.262 -22.813 1.00 0.00 C ATOM 494 O LEU A 34 3.610 8.674 -23.594 1.00 0.00 O ATOM 495 CB LEU A 34 4.591 6.147 -24.254 1.00 0.00 C ATOM 496 CG LEU A 34 3.374 5.255 -24.001 1.00 0.00 C ATOM 497 CD1 LEU A 34 3.795 3.917 -23.387 1.00 0.00 C ATOM 498 CD2 LEU A 34 2.334 5.976 -23.144 1.00 0.00 C ATOM 0 H LEU A 34 4.051 5.778 -21.642 1.00 0.00 H new ATOM 0 HA LEU A 34 6.184 7.095 -23.257 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.330 6.874 -25.023 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.392 5.528 -24.659 1.00 0.00 H new ATOM 0 HG LEU A 34 2.904 5.037 -24.960 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.912 3.301 -23.217 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.472 3.401 -24.068 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.301 4.095 -22.438 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.480 5.319 -22.980 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.776 6.244 -22.184 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.004 6.880 -23.656 1.00 0.00 H new ATOM 509 N ALA A 35 4.887 8.920 -21.743 1.00 0.00 N ATOM 510 CA ALA A 35 4.341 10.223 -21.404 1.00 0.00 C ATOM 511 C ALA A 35 5.318 11.312 -21.853 1.00 0.00 C ATOM 512 O ALA A 35 6.529 11.166 -21.698 1.00 0.00 O ATOM 513 CB ALA A 35 4.052 10.282 -19.902 1.00 0.00 C ATOM 0 H ALA A 35 5.599 8.575 -21.099 1.00 0.00 H new ATOM 0 HA ALA A 35 3.398 10.391 -21.924 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.642 11.260 -19.648 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.331 9.508 -19.639 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.976 10.121 -19.347 1.00 0.00 H new ATOM 571 N LYS B 5 -14.247 -10.938 -19.252 1.00 0.00 N ATOM 572 CA LYS B 5 -13.604 -9.634 -19.254 1.00 0.00 C ATOM 573 C LYS B 5 -14.035 -8.857 -18.010 1.00 0.00 C ATOM 574 O LYS B 5 -15.213 -8.544 -17.846 1.00 0.00 O ATOM 575 CB LYS B 5 -13.887 -8.901 -20.568 1.00 0.00 C ATOM 576 CG LYS B 5 -13.341 -7.472 -20.525 1.00 0.00 C ATOM 577 CD LYS B 5 -14.423 -6.461 -20.906 1.00 0.00 C ATOM 578 CE LYS B 5 -13.881 -5.030 -20.850 1.00 0.00 C ATOM 579 NZ LYS B 5 -14.559 -4.259 -19.783 1.00 0.00 N ATOM 0 HA LYS B 5 -12.521 -9.741 -19.203 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -13.432 -9.443 -21.397 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -14.961 -8.879 -20.753 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -12.968 -7.251 -19.525 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -12.496 -7.381 -21.208 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -14.789 -6.676 -21.910 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -15.272 -6.559 -20.229 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -12.807 -5.049 -20.666 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -14.031 -4.540 -21.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -14.746 -3.292 -20.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -15.458 -4.721 -19.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -13.950 -4.222 -18.941 1.00 0.00 H new ATOM 588 N PHE B 6 -13.057 -8.566 -17.165 1.00 0.00 N ATOM 589 CA PHE B 6 -13.319 -7.830 -15.940 1.00 0.00 C ATOM 590 C PHE B 6 -12.570 -6.498 -15.930 1.00 0.00 C ATOM 591 O PHE B 6 -11.461 -6.402 -16.452 1.00 0.00 O ATOM 592 CB PHE B 6 -12.817 -8.695 -14.782 1.00 0.00 C ATOM 593 CG PHE B 6 -13.932 -9.290 -13.919 1.00 0.00 C ATOM 594 CD1 PHE B 6 -14.426 -8.585 -12.866 1.00 0.00 C ATOM 595 CD2 PHE B 6 -14.429 -10.523 -14.206 1.00 0.00 C ATOM 596 CE1 PHE B 6 -15.460 -9.137 -12.066 1.00 0.00 C ATOM 597 CE2 PHE B 6 -15.463 -11.074 -13.405 1.00 0.00 C ATOM 598 CZ PHE B 6 -15.957 -10.370 -12.352 1.00 0.00 C ATOM 0 H PHE B 6 -12.081 -8.827 -17.305 1.00 0.00 H new ATOM 0 HA PHE B 6 -14.384 -7.616 -15.855 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -12.211 -9.507 -15.185 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -12.164 -8.094 -14.150 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -14.032 -7.606 -12.639 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -14.037 -11.082 -15.043 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -15.852 -8.578 -11.230 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -15.858 -12.053 -13.632 1.00 0.00 H new ATOM 0 HZ PHE B 6 -16.744 -10.790 -11.743 1.00 0.00 H new ATOM 607 N THR B 7 -13.204 -5.502 -15.328 1.00 0.00 N ATOM 608 CA THR B 7 -12.611 -4.179 -15.242 1.00 0.00 C ATOM 609 C THR B 7 -12.377 -3.792 -13.780 1.00 0.00 C ATOM 610 O THR B 7 -13.310 -3.398 -13.083 1.00 0.00 O ATOM 611 CB THR B 7 -13.520 -3.203 -15.992 1.00 0.00 C ATOM 612 OG1 THR B 7 -13.227 -3.439 -17.365 1.00 0.00 O ATOM 613 CG2 THR B 7 -13.121 -1.742 -15.770 1.00 0.00 C ATOM 0 H THR B 7 -14.124 -5.586 -14.895 1.00 0.00 H new ATOM 0 HA THR B 7 -11.628 -4.156 -15.712 1.00 0.00 H new ATOM 0 HB THR B 7 -14.552 -3.350 -15.672 1.00 0.00 H new ATOM 0 HG1 THR B 7 -13.651 -2.746 -17.914 1.00 0.00 H new ATOM 0 HG21 THR B 7 -13.798 -1.092 -16.324 1.00 0.00 H new ATOM 0 HG22 THR B 7 -13.180 -1.506 -14.707 1.00 0.00 H new ATOM 0 HG23 THR B 7 -12.101 -1.586 -16.120 1.00 0.00 H new ATOM 621 N VAL B 8 -11.127 -3.920 -13.360 1.00 0.00 N ATOM 622 CA VAL B 8 -10.760 -3.589 -11.994 1.00 0.00 C ATOM 623 C VAL B 8 -9.662 -2.525 -12.008 1.00 0.00 C ATOM 624 O VAL B 8 -8.784 -2.545 -12.872 1.00 0.00 O ATOM 625 CB VAL B 8 -10.354 -4.857 -11.239 1.00 0.00 C ATOM 626 CG1 VAL B 8 -9.745 -4.515 -9.879 1.00 0.00 C ATOM 627 CG2 VAL B 8 -11.543 -5.809 -11.085 1.00 0.00 C ATOM 0 H VAL B 8 -10.356 -4.248 -13.942 1.00 0.00 H new ATOM 0 HA VAL B 8 -11.613 -3.168 -11.461 1.00 0.00 H new ATOM 0 HB VAL B 8 -9.591 -5.367 -11.828 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -9.466 -5.434 -9.364 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -8.860 -3.896 -10.022 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -10.475 -3.971 -9.280 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -11.227 -6.702 -10.545 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -12.338 -5.311 -10.529 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -11.912 -6.093 -12.071 1.00 0.00 H new ATOM 651 N GLY B 10 -9.733 0.147 -13.016 1.00 0.00 N ATOM 652 CA GLY B 10 -10.037 1.056 -14.105 1.00 0.00 C ATOM 653 C GLY B 10 -9.363 0.603 -15.403 1.00 0.00 C ATOM 654 O GLY B 10 -9.409 1.308 -16.410 1.00 0.00 O ATOM 0 HA2 GLY B 10 -11.116 1.107 -14.250 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -9.702 2.061 -13.849 1.00 0.00 H new ATOM 658 N ARG B 11 -8.753 -0.571 -15.335 1.00 0.00 N ATOM 659 CA ARG B 11 -8.071 -1.127 -16.492 1.00 0.00 C ATOM 660 C ARG B 11 -8.780 -2.397 -16.966 1.00 0.00 C ATOM 661 O ARG B 11 -9.520 -3.020 -16.208 1.00 0.00 O ATOM 662 CB ARG B 11 -6.613 -1.456 -16.164 1.00 0.00 C ATOM 663 CG ARG B 11 -6.524 -2.515 -15.063 1.00 0.00 C ATOM 664 CD ARG B 11 -6.513 -3.925 -15.659 1.00 0.00 C ATOM 665 NE ARG B 11 -7.417 -4.806 -14.889 1.00 0.00 N ATOM 666 CZ ARG B 11 -7.072 -5.426 -13.740 1.00 0.00 C ATOM 667 NH1 ARG B 11 -5.838 -5.268 -13.219 1.00 0.00 N ATOM 668 NH2 ARG B 11 -7.961 -6.193 -13.135 1.00 0.00 N ATOM 0 H ARG B 11 -8.717 -1.152 -14.498 1.00 0.00 H new ATOM 0 HA ARG B 11 -8.094 -0.378 -17.284 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -6.107 -1.815 -17.060 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.095 -0.551 -15.846 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -5.620 -2.358 -14.474 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.369 -2.410 -14.383 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.827 -3.890 -16.702 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -5.500 -4.327 -15.644 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.360 -4.955 -15.248 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -5.156 -4.676 -13.693 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -5.587 -5.740 -12.351 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -8.891 -6.310 -13.537 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -7.717 -6.669 -12.266 1.00 0.00 H new ATOM 678 N THR B 12 -8.526 -2.745 -18.219 1.00 0.00 N ATOM 679 CA THR B 12 -9.129 -3.929 -18.804 1.00 0.00 C ATOM 680 C THR B 12 -8.282 -5.166 -18.499 1.00 0.00 C ATOM 681 O THR B 12 -7.086 -5.189 -18.784 1.00 0.00 O ATOM 682 CB THR B 12 -9.317 -3.675 -20.302 1.00 0.00 C ATOM 683 OG1 THR B 12 -10.466 -2.837 -20.370 1.00 0.00 O ATOM 684 CG2 THR B 12 -9.729 -4.936 -21.062 1.00 0.00 C ATOM 0 H THR B 12 -7.910 -2.227 -18.845 1.00 0.00 H new ATOM 0 HA THR B 12 -10.108 -4.129 -18.369 1.00 0.00 H new ATOM 0 HB THR B 12 -8.391 -3.284 -20.723 1.00 0.00 H new ATOM 0 HG1 THR B 12 -10.659 -2.622 -21.306 1.00 0.00 H new ATOM 0 HG21 THR B 12 -9.849 -4.701 -22.119 1.00 0.00 H new ATOM 0 HG22 THR B 12 -8.959 -5.699 -20.945 1.00 0.00 H new ATOM 0 HG23 THR B 12 -10.673 -5.309 -20.664 1.00 0.00 H new ATOM 692 N ALA B 13 -8.935 -6.166 -17.924 1.00 0.00 N ATOM 693 CA ALA B 13 -8.257 -7.403 -17.578 1.00 0.00 C ATOM 694 C ALA B 13 -8.910 -8.565 -18.328 1.00 0.00 C ATOM 695 O ALA B 13 -10.130 -8.717 -18.303 1.00 0.00 O ATOM 696 CB ALA B 13 -8.290 -7.596 -16.060 1.00 0.00 C ATOM 0 H ALA B 13 -9.927 -6.144 -17.689 1.00 0.00 H new ATOM 0 HA ALA B 13 -7.210 -7.364 -17.879 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -7.781 -8.524 -15.800 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -7.787 -6.759 -15.576 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -9.325 -7.643 -15.722 1.00 0.00 H new ATOM 702 N LEU B 14 -8.069 -9.356 -18.979 1.00 0.00 N ATOM 703 CA LEU B 14 -8.549 -10.499 -19.734 1.00 0.00 C ATOM 704 C LEU B 14 -7.921 -11.776 -19.172 1.00 0.00 C ATOM 705 O LEU B 14 -6.777 -11.762 -18.718 1.00 0.00 O ATOM 706 CB LEU B 14 -8.298 -10.297 -21.230 1.00 0.00 C ATOM 707 CG LEU B 14 -9.284 -10.988 -22.175 1.00 0.00 C ATOM 708 CD1 LEU B 14 -10.068 -9.961 -22.994 1.00 0.00 C ATOM 709 CD2 LEU B 14 -8.567 -12.006 -23.064 1.00 0.00 C ATOM 0 H LEU B 14 -7.057 -9.227 -18.998 1.00 0.00 H new ATOM 0 HA LEU B 14 -9.629 -10.600 -19.626 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -8.313 -9.227 -21.440 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -7.294 -10.653 -21.461 1.00 0.00 H new ATOM 0 HG LEU B 14 -10.007 -11.539 -21.574 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -10.762 -10.478 -23.657 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -10.626 -9.309 -22.322 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -9.376 -9.363 -23.587 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -9.289 -12.483 -23.726 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.809 -11.498 -23.660 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -8.092 -12.763 -22.440 1.00 0.00 H new ATOM 720 N ASN B 15 -8.694 -12.851 -19.222 1.00 0.00 N ATOM 721 CA ASN B 15 -8.229 -14.134 -18.724 1.00 0.00 C ATOM 722 C ASN B 15 -8.049 -15.096 -19.899 1.00 0.00 C ATOM 723 O ASN B 15 -9.028 -15.570 -20.475 1.00 0.00 O ATOM 724 CB ASN B 15 -9.241 -14.751 -17.759 1.00 0.00 C ATOM 725 CG ASN B 15 -8.813 -16.158 -17.341 1.00 0.00 C ATOM 726 OD1 ASN B 15 -7.671 -16.558 -17.492 1.00 0.00 O ATOM 727 ND2 ASN B 15 -9.792 -16.885 -16.810 1.00 0.00 N ATOM 0 H ASN B 15 -9.641 -12.859 -19.601 1.00 0.00 H new ATOM 0 HA ASN B 15 -7.287 -13.971 -18.201 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -9.338 -14.119 -16.876 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -10.222 -14.791 -18.232 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -9.608 -17.839 -16.500 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -10.727 -16.488 -16.712 1.00 0.00 H new ATOM 733 N THR B 16 -6.790 -15.359 -20.222 1.00 0.00 N ATOM 734 CA THR B 16 -6.468 -16.257 -21.317 1.00 0.00 C ATOM 735 C THR B 16 -6.015 -17.616 -20.777 1.00 0.00 C ATOM 736 O THR B 16 -4.856 -17.783 -20.405 1.00 0.00 O ATOM 737 CB THR B 16 -5.422 -15.572 -22.198 1.00 0.00 C ATOM 738 OG1 THR B 16 -6.130 -14.496 -22.805 1.00 0.00 O ATOM 739 CG2 THR B 16 -4.989 -16.446 -23.378 1.00 0.00 C ATOM 0 H THR B 16 -5.980 -14.965 -19.743 1.00 0.00 H new ATOM 0 HA THR B 16 -7.345 -16.463 -21.931 1.00 0.00 H new ATOM 0 HB THR B 16 -4.550 -15.317 -21.595 1.00 0.00 H new ATOM 0 HG1 THR B 16 -5.525 -13.997 -23.393 1.00 0.00 H new ATOM 0 HG21 THR B 16 -4.246 -15.914 -23.972 1.00 0.00 H new ATOM 0 HG22 THR B 16 -4.557 -17.374 -23.004 1.00 0.00 H new ATOM 0 HG23 THR B 16 -5.855 -16.673 -24.000 1.00 0.00 H new ATOM 761 N ALA B 18 -5.358 -19.773 -18.260 1.00 0.00 N ATOM 762 CA ALA B 18 -5.111 -19.767 -16.829 1.00 0.00 C ATOM 763 C ALA B 18 -4.143 -18.632 -16.488 1.00 0.00 C ATOM 764 O ALA B 18 -3.553 -18.618 -15.409 1.00 0.00 O ATOM 765 CB ALA B 18 -4.578 -21.136 -16.399 1.00 0.00 C ATOM 0 HA ALA B 18 -6.035 -19.588 -16.280 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -4.392 -21.133 -15.325 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -5.313 -21.904 -16.638 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -3.648 -21.347 -16.928 1.00 0.00 H new ATOM 771 N VAL B 19 -4.010 -17.709 -17.428 1.00 0.00 N ATOM 772 CA VAL B 19 -3.124 -16.572 -17.241 1.00 0.00 C ATOM 773 C VAL B 19 -3.954 -15.288 -17.185 1.00 0.00 C ATOM 774 O VAL B 19 -4.977 -15.176 -17.859 1.00 0.00 O ATOM 775 CB VAL B 19 -2.061 -16.550 -18.342 1.00 0.00 C ATOM 776 CG1 VAL B 19 -1.289 -15.229 -18.332 1.00 0.00 C ATOM 777 CG2 VAL B 19 -1.111 -17.742 -18.212 1.00 0.00 C ATOM 0 H VAL B 19 -4.501 -17.725 -18.322 1.00 0.00 H new ATOM 0 HA VAL B 19 -2.590 -16.655 -16.294 1.00 0.00 H new ATOM 0 HB VAL B 19 -2.571 -16.633 -19.302 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -0.540 -15.239 -19.124 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -1.980 -14.402 -18.497 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -0.796 -15.103 -17.368 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.366 -17.702 -19.007 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -0.611 -17.705 -17.244 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -1.678 -18.670 -18.293 1.00 0.00 H new ATOM 787 N GLN B 20 -3.483 -14.352 -16.374 1.00 0.00 N ATOM 788 CA GLN B 20 -4.168 -13.080 -16.221 1.00 0.00 C ATOM 789 C GLN B 20 -3.309 -11.943 -16.779 1.00 0.00 C ATOM 790 O GLN B 20 -2.294 -11.581 -16.188 1.00 0.00 O ATOM 791 CB GLN B 20 -4.530 -12.826 -14.757 1.00 0.00 C ATOM 792 CG GLN B 20 -5.438 -11.601 -14.621 1.00 0.00 C ATOM 793 CD GLN B 20 -6.910 -12.014 -14.567 1.00 0.00 C ATOM 794 OE1 GLN B 20 -7.675 -11.806 -15.494 1.00 0.00 O ATOM 795 NE2 GLN B 20 -7.264 -12.607 -13.430 1.00 0.00 N ATOM 0 H GLN B 20 -2.635 -14.449 -15.816 1.00 0.00 H new ATOM 0 HA GLN B 20 -5.097 -13.119 -16.790 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -5.031 -13.702 -14.345 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -3.621 -12.676 -14.175 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -5.178 -11.049 -13.718 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -5.276 -10.928 -15.463 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -6.573 -12.751 -12.693 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -8.226 -12.918 -13.295 1.00 0.00 H new ATOM 802 N LYS B 21 -3.748 -11.413 -17.911 1.00 0.00 N ATOM 803 CA LYS B 21 -3.033 -10.326 -18.555 1.00 0.00 C ATOM 804 C LYS B 21 -3.978 -9.137 -18.739 1.00 0.00 C ATOM 805 O LYS B 21 -5.037 -9.270 -19.348 1.00 0.00 O ATOM 806 CB LYS B 21 -2.388 -10.805 -19.857 1.00 0.00 C ATOM 807 CG LYS B 21 -1.830 -9.627 -20.659 1.00 0.00 C ATOM 808 CD LYS B 21 -2.533 -9.504 -22.013 1.00 0.00 C ATOM 809 CE LYS B 21 -2.305 -8.119 -22.624 1.00 0.00 C ATOM 810 NZ LYS B 21 -3.447 -7.739 -23.485 1.00 0.00 N ATOM 0 H LYS B 21 -4.591 -11.717 -18.399 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.211 -9.986 -17.925 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -1.586 -11.509 -19.632 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.124 -11.341 -20.456 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.958 -8.704 -20.093 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -0.759 -9.761 -20.812 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.160 -10.271 -22.692 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -3.602 -9.680 -21.890 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -2.178 -7.382 -21.831 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -1.385 -8.120 -23.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -3.277 -6.797 -23.892 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -3.550 -8.434 -24.252 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -4.318 -7.719 -22.917 1.00 0.00 H new ATOM 819 N TRP B 22 -3.560 -8.000 -18.199 1.00 0.00 N ATOM 820 CA TRP B 22 -4.357 -6.788 -18.296 1.00 0.00 C ATOM 821 C TRP B 22 -3.422 -5.636 -18.668 1.00 0.00 C ATOM 822 O TRP B 22 -2.206 -5.743 -18.509 1.00 0.00 O ATOM 823 CB TRP B 22 -5.129 -6.536 -17.000 1.00 0.00 C ATOM 824 CG TRP B 22 -4.294 -6.719 -15.732 1.00 0.00 C ATOM 825 CD1 TRP B 22 -4.172 -7.819 -14.975 1.00 0.00 C ATOM 826 CD2 TRP B 22 -3.464 -5.723 -15.098 1.00 0.00 C ATOM 827 NE1 TRP B 22 -3.328 -7.604 -13.905 1.00 0.00 N ATOM 828 CE2 TRP B 22 -2.883 -6.290 -13.981 1.00 0.00 C ATOM 829 CE3 TRP B 22 -3.212 -4.386 -15.456 1.00 0.00 C ATOM 830 CZ2 TRP B 22 -2.013 -5.595 -13.133 1.00 0.00 C ATOM 831 CZ3 TRP B 22 -2.340 -3.706 -14.598 1.00 0.00 C ATOM 832 CH2 TRP B 22 -1.748 -4.262 -13.470 1.00 0.00 C ATOM 0 H TRP B 22 -2.681 -7.893 -17.693 1.00 0.00 H new ATOM 0 HA TRP B 22 -5.115 -6.886 -19.073 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -5.526 -5.521 -17.018 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -5.983 -7.212 -16.961 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -4.671 -8.755 -15.177 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -3.077 -8.285 -13.189 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -3.656 -3.921 -16.324 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -1.570 -6.062 -12.266 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -2.111 -2.676 -14.829 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -1.087 -3.669 -12.856 1.00 0.00 H new ATOM 842 N HIS B 23 -4.023 -4.563 -19.158 1.00 0.00 N ATOM 843 CA HIS B 23 -3.259 -3.392 -19.554 1.00 0.00 C ATOM 844 C HIS B 23 -3.928 -2.131 -19.001 1.00 0.00 C ATOM 845 O HIS B 23 -5.017 -1.761 -19.436 1.00 0.00 O ATOM 846 CB HIS B 23 -3.079 -3.350 -21.073 1.00 0.00 C ATOM 847 CG HIS B 23 -4.235 -2.721 -21.811 1.00 0.00 C ATOM 848 ND1 HIS B 23 -5.465 -3.343 -21.946 1.00 0.00 N ATOM 849 CD2 HIS B 23 -4.338 -1.521 -22.452 1.00 0.00 C ATOM 850 CE1 HIS B 23 -6.263 -2.544 -22.641 1.00 0.00 C ATOM 851 NE2 HIS B 23 -5.563 -1.416 -22.953 1.00 0.00 N ATOM 0 H HIS B 23 -5.031 -4.479 -19.290 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.257 -3.446 -19.128 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -2.169 -2.797 -21.306 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -2.937 -4.366 -21.440 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -3.555 -0.782 -22.537 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -7.288 -2.750 -22.912 1.00 0.00 H new ATOM 0 HE2 HIS B 23 -5.922 -0.622 -23.484 1.00 0.00 H new ATOM 858 N PHE B 24 -3.248 -1.508 -18.050 1.00 0.00 N ATOM 859 CA PHE B 24 -3.762 -0.297 -17.433 1.00 0.00 C ATOM 860 C PHE B 24 -3.221 0.949 -18.137 1.00 0.00 C ATOM 861 O PHE B 24 -2.017 1.062 -18.368 1.00 0.00 O ATOM 862 CB PHE B 24 -3.281 -0.297 -15.981 1.00 0.00 C ATOM 863 CG PHE B 24 -4.151 0.537 -15.038 1.00 0.00 C ATOM 864 CD1 PHE B 24 -4.430 1.834 -15.340 1.00 0.00 C ATOM 865 CD2 PHE B 24 -4.645 -0.017 -13.899 1.00 0.00 C ATOM 866 CE1 PHE B 24 -5.237 2.608 -14.465 1.00 0.00 C ATOM 867 CE2 PHE B 24 -5.451 0.758 -13.023 1.00 0.00 C ATOM 868 CZ PHE B 24 -5.731 2.054 -13.326 1.00 0.00 C ATOM 0 H PHE B 24 -2.345 -1.819 -17.691 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.850 -0.277 -17.502 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.252 -1.325 -15.619 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -2.260 0.082 -15.947 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.038 2.275 -16.245 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.424 -1.047 -13.660 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.459 3.638 -14.704 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.841 0.318 -12.117 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.346 2.643 -12.662 1.00 0.00 H new ATOM 877 N VAL B 25 -4.135 1.852 -18.458 1.00 0.00 N ATOM 878 CA VAL B 25 -3.766 3.086 -19.131 1.00 0.00 C ATOM 879 C VAL B 25 -4.137 4.276 -18.245 1.00 0.00 C ATOM 880 O VAL B 25 -5.288 4.415 -17.838 1.00 0.00 O ATOM 881 CB VAL B 25 -4.418 3.143 -20.514 1.00 0.00 C ATOM 882 CG1 VAL B 25 -3.928 1.996 -21.401 1.00 0.00 C ATOM 883 CG2 VAL B 25 -5.944 3.135 -20.400 1.00 0.00 C ATOM 0 H VAL B 25 -5.132 1.754 -18.264 1.00 0.00 H new ATOM 0 HA VAL B 25 -2.689 3.125 -19.293 1.00 0.00 H new ATOM 0 HB VAL B 25 -4.121 4.080 -20.986 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -4.407 2.061 -22.378 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -2.847 2.066 -21.522 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -4.180 1.043 -20.936 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -6.384 3.176 -21.397 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -6.267 2.223 -19.899 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -6.270 4.001 -19.824 1.00 0.00 H new ATOM 893 N LEU B 26 -3.138 5.103 -17.973 1.00 0.00 N ATOM 894 CA LEU B 26 -3.344 6.277 -17.142 1.00 0.00 C ATOM 895 C LEU B 26 -2.817 7.513 -17.872 1.00 0.00 C ATOM 896 O LEU B 26 -1.856 8.138 -17.427 1.00 0.00 O ATOM 897 CB LEU B 26 -2.726 6.070 -15.758 1.00 0.00 C ATOM 898 CG LEU B 26 -3.180 7.043 -14.667 1.00 0.00 C ATOM 899 CD1 LEU B 26 -3.291 6.338 -13.314 1.00 0.00 C ATOM 900 CD2 LEU B 26 -2.260 8.263 -14.604 1.00 0.00 C ATOM 0 H LEU B 26 -2.184 4.983 -18.313 1.00 0.00 H new ATOM 0 HA LEU B 26 -4.408 6.438 -16.969 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -2.952 5.056 -15.429 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.642 6.141 -15.852 1.00 0.00 H new ATOM 0 HG LEU B 26 -4.176 7.403 -14.924 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -3.615 7.052 -12.557 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.018 5.529 -13.384 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.319 5.930 -13.035 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -2.605 8.938 -13.821 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.243 7.940 -14.383 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -2.276 8.781 -15.563 1.00 0.00 H new ATOM 925 N GLY B 28 -0.700 9.145 -20.044 1.00 0.00 N ATOM 926 CA GLY B 28 0.588 8.940 -20.684 1.00 0.00 C ATOM 927 C GLY B 28 1.334 7.762 -20.052 1.00 0.00 C ATOM 928 O GLY B 28 2.356 7.319 -20.574 1.00 0.00 O ATOM 0 HA2 GLY B 28 0.444 8.755 -21.748 1.00 0.00 H new ATOM 0 HA3 GLY B 28 1.189 9.845 -20.597 1.00 0.00 H new ATOM 932 N TYR B 29 0.792 7.288 -18.942 1.00 0.00 N ATOM 933 CA TYR B 29 1.392 6.169 -18.235 1.00 0.00 C ATOM 934 C TYR B 29 0.683 4.858 -18.579 1.00 0.00 C ATOM 935 O TYR B 29 -0.465 4.648 -18.191 1.00 0.00 O ATOM 936 CB TYR B 29 1.201 6.461 -16.745 1.00 0.00 C ATOM 937 CG TYR B 29 2.499 6.421 -15.933 1.00 0.00 C ATOM 938 CD1 TYR B 29 3.403 7.459 -16.024 1.00 0.00 C ATOM 939 CD2 TYR B 29 2.764 5.346 -15.109 1.00 0.00 C ATOM 940 CE1 TYR B 29 4.623 7.421 -15.260 1.00 0.00 C ATOM 941 CE2 TYR B 29 3.983 5.307 -14.346 1.00 0.00 C ATOM 942 CZ TYR B 29 4.852 6.346 -14.458 1.00 0.00 C ATOM 943 OH TYR B 29 6.005 6.310 -13.736 1.00 0.00 O ATOM 0 H TYR B 29 -0.057 7.658 -18.514 1.00 0.00 H new ATOM 0 HA TYR B 29 2.441 6.060 -18.510 1.00 0.00 H new ATOM 0 HB2 TYR B 29 0.744 7.444 -16.633 1.00 0.00 H new ATOM 0 HB3 TYR B 29 0.502 5.736 -16.329 1.00 0.00 H new ATOM 0 HD1 TYR B 29 3.196 8.300 -16.668 1.00 0.00 H new ATOM 0 HD2 TYR B 29 2.056 4.534 -15.037 1.00 0.00 H new ATOM 0 HE1 TYR B 29 5.339 8.227 -15.322 1.00 0.00 H new ATOM 0 HE2 TYR B 29 4.203 4.471 -13.699 1.00 0.00 H new ATOM 0 HH TYR B 29 6.035 5.485 -13.208 1.00 0.00 H new ATOM 952 N LYS B 30 1.397 4.009 -19.304 1.00 0.00 N ATOM 953 CA LYS B 30 0.850 2.724 -19.706 1.00 0.00 C ATOM 954 C LYS B 30 1.611 1.605 -18.991 1.00 0.00 C ATOM 955 O LYS B 30 2.806 1.734 -18.726 1.00 0.00 O ATOM 956 CB LYS B 30 0.852 2.594 -21.230 1.00 0.00 C ATOM 957 CG LYS B 30 -0.505 2.987 -21.817 1.00 0.00 C ATOM 958 CD LYS B 30 -0.335 3.744 -23.134 1.00 0.00 C ATOM 959 CE LYS B 30 -1.657 3.809 -23.903 1.00 0.00 C ATOM 960 NZ LYS B 30 -2.537 4.852 -23.333 1.00 0.00 N ATOM 0 H LYS B 30 2.349 4.186 -19.623 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.194 2.643 -19.404 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.632 3.229 -21.651 1.00 0.00 H new ATOM 0 HB3 LYS B 30 1.090 1.568 -21.510 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.106 2.093 -21.983 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.047 3.608 -21.104 1.00 0.00 H new ATOM 0 HD2 LYS B 30 0.024 4.754 -22.934 1.00 0.00 H new ATOM 0 HD3 LYS B 30 0.422 3.252 -23.745 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.463 4.023 -24.954 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.156 2.841 -23.862 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.499 4.739 -23.712 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.559 4.759 -22.297 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -2.172 5.792 -23.589 1.00 0.00 H new ATOM 969 N CYS B 31 0.888 0.533 -18.701 1.00 0.00 N ATOM 970 CA CYS B 31 1.482 -0.606 -18.023 1.00 0.00 C ATOM 971 C CYS B 31 0.905 -1.884 -18.638 1.00 0.00 C ATOM 972 O CYS B 31 -0.312 -2.037 -18.733 1.00 0.00 O ATOM 973 CB CYS B 31 1.253 -0.548 -16.511 1.00 0.00 C ATOM 974 SG CYS B 31 2.524 0.381 -15.579 1.00 0.00 S ATOM 0 H CYS B 31 -0.102 0.430 -18.923 1.00 0.00 H new ATOM 0 HA CYS B 31 2.563 -0.591 -18.161 1.00 0.00 H new ATOM 0 HB2 CYS B 31 0.280 -0.095 -16.322 1.00 0.00 H new ATOM 0 HB3 CYS B 31 1.211 -1.566 -16.125 1.00 0.00 H new ATOM 978 N GLU B 32 1.806 -2.769 -19.038 1.00 0.00 N ATOM 979 CA GLU B 32 1.402 -4.028 -19.642 1.00 0.00 C ATOM 980 C GLU B 32 1.876 -5.203 -18.783 1.00 0.00 C ATOM 981 O GLU B 32 3.074 -5.458 -18.681 1.00 0.00 O ATOM 982 CB GLU B 32 1.931 -4.146 -21.072 1.00 0.00 C ATOM 983 CG GLU B 32 1.098 -3.299 -22.036 1.00 0.00 C ATOM 984 CD GLU B 32 1.885 -2.982 -23.309 1.00 0.00 C ATOM 985 OE1 GLU B 32 2.668 -3.822 -23.778 1.00 0.00 O ATOM 986 OE2 GLU B 32 1.659 -1.818 -23.815 1.00 0.00 O ATOM 0 H GLU B 32 2.814 -2.640 -18.956 1.00 0.00 H new ATOM 0 HA GLU B 32 0.313 -4.053 -19.690 1.00 0.00 H new ATOM 0 HB2 GLU B 32 2.972 -3.825 -21.106 1.00 0.00 H new ATOM 0 HB3 GLU B 32 1.909 -5.189 -21.387 1.00 0.00 H new ATOM 0 HG2 GLU B 32 0.182 -3.830 -22.294 1.00 0.00 H new ATOM 0 HG3 GLU B 32 0.802 -2.371 -21.547 1.00 0.00 H new ATOM 992 N ILE B 33 0.909 -5.886 -18.188 1.00 0.00 N ATOM 993 CA ILE B 33 1.211 -7.029 -17.342 1.00 0.00 C ATOM 994 C ILE B 33 0.596 -8.289 -17.955 1.00 0.00 C ATOM 995 O ILE B 33 -0.621 -8.375 -18.114 1.00 0.00 O ATOM 996 CB ILE B 33 0.766 -6.762 -15.904 1.00 0.00 C ATOM 997 CG1 ILE B 33 1.031 -5.310 -15.507 1.00 0.00 C ATOM 998 CG2 ILE B 33 1.422 -7.750 -14.936 1.00 0.00 C ATOM 999 CD1 ILE B 33 2.521 -4.977 -15.608 1.00 0.00 C ATOM 0 H ILE B 33 -0.084 -5.670 -18.275 1.00 0.00 H new ATOM 0 HA ILE B 33 2.287 -7.193 -17.292 1.00 0.00 H new ATOM 0 HB ILE B 33 -0.311 -6.919 -15.845 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.461 -4.643 -16.153 1.00 0.00 H new ATOM 0 HG13 ILE B 33 0.685 -5.139 -14.488 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.089 -7.539 -13.920 1.00 0.00 H new ATOM 0 HG22 ILE B 33 1.139 -8.767 -15.207 1.00 0.00 H new ATOM 0 HG23 ILE B 33 2.506 -7.648 -14.991 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.682 -3.938 -15.320 1.00 0.00 H new ATOM 0 HD12 ILE B 33 3.086 -5.630 -14.942 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.858 -5.126 -16.634 1.00 0.00 H new ATOM 1010 N LEU B 34 1.465 -9.235 -18.280 1.00 0.00 N ATOM 1011 CA LEU B 34 1.021 -10.486 -18.871 1.00 0.00 C ATOM 1012 C LEU B 34 1.311 -11.633 -17.901 1.00 0.00 C ATOM 1013 O LEU B 34 2.160 -12.483 -18.175 1.00 0.00 O ATOM 1014 CB LEU B 34 1.647 -10.677 -20.254 1.00 0.00 C ATOM 1015 CG LEU B 34 1.167 -11.896 -21.044 1.00 0.00 C ATOM 1016 CD1 LEU B 34 0.474 -11.470 -22.342 1.00 0.00 C ATOM 1017 CD2 LEU B 34 2.316 -12.870 -21.302 1.00 0.00 C ATOM 0 H LEU B 34 2.473 -9.160 -18.145 1.00 0.00 H new ATOM 0 HA LEU B 34 -0.057 -10.470 -19.034 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.450 -9.784 -20.847 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.728 -10.748 -20.135 1.00 0.00 H new ATOM 0 HG LEU B 34 0.428 -12.424 -20.441 1.00 0.00 H new ATOM 0 HD11 LEU B 34 0.142 -12.355 -22.885 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -0.387 -10.845 -22.106 1.00 0.00 H new ATOM 0 HD13 LEU B 34 1.173 -10.906 -22.960 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.947 -13.727 -21.865 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.096 -12.369 -21.874 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.725 -13.210 -20.351 1.00 0.00 H new ATOM 1028 N ALA B 35 0.591 -11.623 -16.789 1.00 0.00 N ATOM 1029 CA ALA B 35 0.761 -12.654 -15.778 1.00 0.00 C ATOM 1030 C ALA B 35 -0.562 -13.401 -15.592 1.00 0.00 C ATOM 1031 O ALA B 35 -1.232 -13.239 -14.573 1.00 0.00 O ATOM 1032 CB ALA B 35 1.259 -12.016 -14.479 1.00 0.00 C ATOM 0 H ALA B 35 -0.111 -10.918 -16.565 1.00 0.00 H new ATOM 0 HA ALA B 35 1.509 -13.382 -16.092 1.00 0.00 H new ATOM 0 HB1 ALA B 35 1.387 -12.788 -13.720 1.00 0.00 H new ATOM 0 HB2 ALA B 35 2.214 -11.522 -14.659 1.00 0.00 H new ATOM 0 HB3 ALA B 35 0.531 -11.283 -14.132 1.00 0.00 H new