USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 703 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 Single : A 265 LYS NZ :NH3+ -166:sc= -0.035 (180deg=-0.251) USER MOD Single : A 270 SER OG : rot 100:sc= -0.108 USER MOD Single : A 272 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 174:sc= -0.956 (180deg=-1.03) USER MOD Single : B 1 MET N :NH3+ -145:sc= 1.28 (180deg=0.105) USER MOD Single : B 2 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.018) USER MOD Single : B 6 LYS NZ :NH3+ -164:sc= -0.0422 (180deg=-0.343) USER MOD Single : B 7 THR OG1 : rot 150:sc= -1.92! USER MOD Single : B 11 LYS NZ :NH3+ -136:sc= 0.624 (180deg=0.0106) USER MOD Single : B 12 THR OG1 : rot 180:sc= -0.897 USER MOD Single : B 14 THR OG1 : rot -25:sc= 2.02 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.4!) USER MOD Single : B 27 LYS NZ :NH3+ 165:sc= -0.0403 (180deg=-0.232) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 164:sc= -0.0633 (180deg=-0.316) USER MOD Single : B 31 GLN : amide:sc= -2.48! K(o=-2.5!,f=-0.54) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 GLN : amide:sc= -0.745 K(o=-0.75,f=-3.8!) USER MOD Single : B 41 GLN : amide:sc= -3.56! C(o=-3.6!,f=-11!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -3.18! C(o=-3.2!,f=-8.3!) USER MOD Single : B 55 THR OG1 : rot 24:sc= 0.0673 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot 180:sc=-0.00523 USER MOD Single : B 60 ASN : amide:sc= -1.65! K(o=-1.7!,f=-0.33) USER MOD Single : B 62 GLN : amide:sc= -1.1! K(o=-1.1!,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 165:sc= -0.0418 (180deg=-0.265) USER MOD Single : B 65 SER OG : rot 120:sc= 0.956 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= -4.58 K(o=-4.6,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 259 15.990 0.320 1.344 1.00 0.00 N ATOM 66 CA GLU A 259 14.588 -0.051 1.498 1.00 0.00 C ATOM 67 C GLU A 259 13.760 1.154 1.941 1.00 0.00 C ATOM 68 O GLU A 259 12.682 1.418 1.400 1.00 0.00 O ATOM 69 CB GLU A 259 14.467 -1.185 2.522 1.00 0.00 C ATOM 70 CG GLU A 259 13.119 -1.889 2.520 1.00 0.00 C ATOM 71 CD GLU A 259 11.977 -0.992 2.954 1.00 0.00 C ATOM 72 OE1 GLU A 259 12.022 -0.482 4.094 1.00 0.00 O ATOM 73 OE2 GLU A 259 11.038 -0.802 2.154 1.00 0.00 O ATOM 0 HA GLU A 259 14.204 -0.393 0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 259 15.248 -1.920 2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 259 14.651 -0.781 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 259 12.915 -2.267 1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 259 13.166 -2.753 3.183 1.00 0.00 H new ATOM 80 N GLU A 260 14.277 1.883 2.924 1.00 0.00 N ATOM 81 CA GLU A 260 13.596 3.063 3.442 1.00 0.00 C ATOM 82 C GLU A 260 13.359 4.079 2.332 1.00 0.00 C ATOM 83 O GLU A 260 12.307 4.713 2.274 1.00 0.00 O ATOM 84 CB GLU A 260 14.417 3.699 4.565 1.00 0.00 C ATOM 85 CG GLU A 260 14.673 2.768 5.740 1.00 0.00 C ATOM 86 CD GLU A 260 13.402 2.371 6.469 1.00 0.00 C ATOM 87 OE1 GLU A 260 12.316 2.859 6.088 1.00 0.00 O ATOM 88 OE2 GLU A 260 13.493 1.576 7.428 1.00 0.00 O ATOM 0 H GLU A 260 15.167 1.677 3.378 1.00 0.00 H new ATOM 0 HA GLU A 260 12.630 2.752 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 260 15.373 4.030 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 260 13.898 4.588 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 260 15.176 1.870 5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 260 15.351 3.255 6.441 1.00 0.00 H new ATOM 95 N GLU A 261 14.346 4.226 1.453 1.00 0.00 N ATOM 96 CA GLU A 261 14.252 5.165 0.340 1.00 0.00 C ATOM 97 C GLU A 261 13.026 4.872 -0.520 1.00 0.00 C ATOM 98 O GLU A 261 12.282 5.782 -0.884 1.00 0.00 O ATOM 99 CB GLU A 261 15.520 5.102 -0.514 1.00 0.00 C ATOM 100 CG GLU A 261 15.492 6.029 -1.719 1.00 0.00 C ATOM 101 CD GLU A 261 16.768 5.964 -2.536 1.00 0.00 C ATOM 102 OE1 GLU A 261 17.100 4.868 -3.034 1.00 0.00 O ATOM 103 OE2 GLU A 261 17.435 7.010 -2.678 1.00 0.00 O ATOM 0 H GLU A 261 15.222 3.705 1.490 1.00 0.00 H new ATOM 0 HA GLU A 261 14.149 6.169 0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 261 16.379 5.355 0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 261 15.665 4.078 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 261 14.645 5.768 -2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 261 15.333 7.053 -1.381 1.00 0.00 H new ATOM 110 N LEU A 262 12.820 3.598 -0.839 1.00 0.00 N ATOM 111 CA LEU A 262 11.680 3.191 -1.654 1.00 0.00 C ATOM 112 C LEU A 262 10.363 3.484 -0.941 1.00 0.00 C ATOM 113 O LEU A 262 9.437 4.042 -1.535 1.00 0.00 O ATOM 114 CB LEU A 262 11.778 1.702 -1.997 1.00 0.00 C ATOM 115 CG LEU A 262 12.884 1.342 -2.992 1.00 0.00 C ATOM 116 CD1 LEU A 262 13.059 -0.167 -3.072 1.00 0.00 C ATOM 117 CD2 LEU A 262 12.566 1.912 -4.368 1.00 0.00 C ATOM 0 H LEU A 262 13.426 2.831 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 262 11.701 3.769 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 262 11.941 1.142 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 262 10.822 1.374 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 262 13.819 1.780 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 262 13.849 -0.404 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 262 13.327 -0.555 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 262 12.126 -0.625 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 262 13.362 1.647 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 262 11.621 1.500 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 262 12.487 2.997 -4.303 1.00 0.00 H new ATOM 129 N ILE A 263 10.285 3.114 0.335 1.00 0.00 N ATOM 130 CA ILE A 263 9.076 3.350 1.117 1.00 0.00 C ATOM 131 C ILE A 263 8.712 4.832 1.149 1.00 0.00 C ATOM 132 O ILE A 263 7.592 5.206 0.800 1.00 0.00 O ATOM 133 CB ILE A 263 9.222 2.819 2.560 1.00 0.00 C ATOM 134 CG1 ILE A 263 8.931 1.319 2.611 1.00 0.00 C ATOM 135 CG2 ILE A 263 8.311 3.575 3.520 1.00 0.00 C ATOM 136 CD1 ILE A 263 9.096 0.713 3.990 1.00 0.00 C ATOM 0 H ILE A 263 11.038 2.653 0.845 1.00 0.00 H new ATOM 0 HA ILE A 263 8.272 2.803 0.625 1.00 0.00 H new ATOM 0 HB ILE A 263 10.252 2.984 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 263 7.912 1.144 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 263 9.595 0.805 1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 263 8.436 3.179 4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 263 8.571 4.633 3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 263 7.274 3.454 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 263 8.873 -0.353 3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 263 10.122 0.856 4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 263 8.412 1.200 4.685 1.00 0.00 H new ATOM 148 N ARG A 264 9.654 5.674 1.566 1.00 0.00 N ATOM 149 CA ARG A 264 9.401 7.108 1.633 1.00 0.00 C ATOM 150 C ARG A 264 9.135 7.676 0.247 1.00 0.00 C ATOM 151 O ARG A 264 8.347 8.608 0.097 1.00 0.00 O ATOM 152 CB ARG A 264 10.551 7.846 2.325 1.00 0.00 C ATOM 153 CG ARG A 264 11.917 7.643 1.685 1.00 0.00 C ATOM 154 CD ARG A 264 12.126 8.555 0.486 1.00 0.00 C ATOM 155 NE ARG A 264 13.482 8.456 -0.050 1.00 0.00 N ATOM 156 CZ ARG A 264 14.574 8.800 0.631 1.00 0.00 C ATOM 157 NH1 ARG A 264 14.470 9.280 1.863 1.00 0.00 N ATOM 158 NH2 ARG A 264 15.771 8.667 0.076 1.00 0.00 N ATOM 0 H ARG A 264 10.589 5.391 1.859 1.00 0.00 H new ATOM 0 HA ARG A 264 8.506 7.261 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 264 10.325 8.912 2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 264 10.600 7.520 3.364 1.00 0.00 H new ATOM 0 HG2 ARG A 264 12.695 7.832 2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 264 12.020 6.604 1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 264 11.409 8.298 -0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 264 11.926 9.586 0.776 1.00 0.00 H new ATOM 0 HE ARG A 264 13.599 8.103 -1.000 1.00 0.00 H new ATOM 0 HH11 ARG A 264 13.551 9.387 2.293 1.00 0.00 H new ATOM 0 HH12 ARG A 264 15.309 9.542 2.381 1.00 0.00 H new ATOM 0 HH21 ARG A 264 15.856 8.301 -0.872 1.00 0.00 H new ATOM 0 HH22 ARG A 264 16.607 8.930 0.598 1.00 0.00 H new ATOM 172 N LYS A 265 9.774 7.098 -0.770 1.00 0.00 N ATOM 173 CA LYS A 265 9.566 7.548 -2.140 1.00 0.00 C ATOM 174 C LYS A 265 8.078 7.503 -2.447 1.00 0.00 C ATOM 175 O LYS A 265 7.489 8.481 -2.914 1.00 0.00 O ATOM 176 CB LYS A 265 10.329 6.656 -3.122 1.00 0.00 C ATOM 177 CG LYS A 265 10.129 7.043 -4.581 1.00 0.00 C ATOM 178 CD LYS A 265 10.868 6.100 -5.520 1.00 0.00 C ATOM 179 CE LYS A 265 12.374 6.181 -5.329 1.00 0.00 C ATOM 180 NZ LYS A 265 12.897 7.544 -5.617 1.00 0.00 N ATOM 0 H LYS A 265 10.433 6.326 -0.670 1.00 0.00 H new ATOM 0 HA LYS A 265 9.939 8.567 -2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 265 11.392 6.698 -2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 265 10.012 5.623 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 265 9.065 7.032 -4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 265 10.480 8.063 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 265 10.534 5.077 -5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 265 10.619 6.345 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 265 12.626 5.904 -4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 265 12.862 5.459 -5.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 13.932 7.506 -5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 12.483 7.894 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 12.641 8.185 -4.839 1.00 0.00 H new ATOM 194 N ALA A 266 7.473 6.360 -2.139 1.00 0.00 N ATOM 195 CA ALA A 266 6.047 6.176 -2.339 1.00 0.00 C ATOM 196 C ALA A 266 5.272 7.134 -1.442 1.00 0.00 C ATOM 197 O ALA A 266 4.230 7.659 -1.826 1.00 0.00 O ATOM 198 CB ALA A 266 5.652 4.732 -2.056 1.00 0.00 C ATOM 0 H ALA A 266 7.952 5.548 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 266 5.802 6.395 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 266 4.580 4.611 -2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 266 6.193 4.068 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 266 5.900 4.482 -1.024 1.00 0.00 H new ATOM 204 N ILE A 267 5.800 7.361 -0.239 1.00 0.00 N ATOM 205 CA ILE A 267 5.167 8.259 0.718 1.00 0.00 C ATOM 206 C ILE A 267 4.999 9.660 0.135 1.00 0.00 C ATOM 207 O ILE A 267 3.928 10.259 0.237 1.00 0.00 O ATOM 208 CB ILE A 267 5.968 8.344 2.035 1.00 0.00 C ATOM 209 CG1 ILE A 267 5.976 6.981 2.733 1.00 0.00 C ATOM 210 CG2 ILE A 267 5.384 9.413 2.950 1.00 0.00 C ATOM 211 CD1 ILE A 267 6.763 6.959 4.027 1.00 0.00 C ATOM 0 H ILE A 267 6.665 6.934 0.093 1.00 0.00 H new ATOM 0 HA ILE A 267 4.183 7.843 0.935 1.00 0.00 H new ATOM 0 HB ILE A 267 6.996 8.623 1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 267 4.948 6.683 2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 267 6.393 6.238 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 267 5.962 9.458 3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 267 5.423 10.381 2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 267 4.348 9.167 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 267 6.721 5.960 4.461 1.00 0.00 H new ATOM 0 HD12 ILE A 267 7.801 7.224 3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 267 6.334 7.677 4.726 1.00 0.00 H new ATOM 223 N GLU A 268 6.060 10.176 -0.477 1.00 0.00 N ATOM 224 CA GLU A 268 6.025 11.504 -1.078 1.00 0.00 C ATOM 225 C GLU A 268 5.066 11.538 -2.263 1.00 0.00 C ATOM 226 O GLU A 268 4.275 12.472 -2.408 1.00 0.00 O ATOM 227 CB GLU A 268 7.425 11.925 -1.524 1.00 0.00 C ATOM 228 CG GLU A 268 8.427 12.008 -0.383 1.00 0.00 C ATOM 229 CD GLU A 268 9.802 12.446 -0.845 1.00 0.00 C ATOM 230 OE1 GLU A 268 9.915 13.559 -1.402 1.00 0.00 O ATOM 231 OE2 GLU A 268 10.767 11.678 -0.649 1.00 0.00 O ATOM 0 H GLU A 268 6.954 9.695 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 268 5.668 12.207 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 268 7.790 11.215 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 268 7.364 12.896 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 268 8.060 12.708 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 268 8.503 11.034 0.100 1.00 0.00 H new ATOM 238 N LEU A 269 5.140 10.512 -3.108 1.00 0.00 N ATOM 239 CA LEU A 269 4.276 10.423 -4.282 1.00 0.00 C ATOM 240 C LEU A 269 2.803 10.463 -3.880 1.00 0.00 C ATOM 241 O LEU A 269 1.994 11.140 -4.514 1.00 0.00 O ATOM 242 CB LEU A 269 4.569 9.137 -5.062 1.00 0.00 C ATOM 243 CG LEU A 269 5.998 9.005 -5.596 1.00 0.00 C ATOM 244 CD1 LEU A 269 6.186 7.663 -6.286 1.00 0.00 C ATOM 245 CD2 LEU A 269 6.322 10.144 -6.553 1.00 0.00 C ATOM 0 H LEU A 269 5.788 9.732 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 269 4.483 11.282 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 269 4.360 8.284 -4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 269 3.878 9.076 -5.903 1.00 0.00 H new ATOM 0 HG LEU A 269 6.685 9.061 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 269 7.207 7.586 -6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 269 5.998 6.859 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 269 5.488 7.581 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 269 7.342 10.031 -6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 269 5.628 10.121 -7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 269 6.228 11.096 -6.031 1.00 0.00 H new ATOM 257 N SER A 270 2.463 9.729 -2.824 1.00 0.00 N ATOM 258 CA SER A 270 1.089 9.675 -2.335 1.00 0.00 C ATOM 259 C SER A 270 0.656 11.018 -1.750 1.00 0.00 C ATOM 260 O SER A 270 -0.463 11.473 -1.988 1.00 0.00 O ATOM 261 CB SER A 270 0.943 8.572 -1.286 1.00 0.00 C ATOM 262 OG SER A 270 -0.373 8.536 -0.763 1.00 0.00 O ATOM 0 H SER A 270 3.122 9.162 -2.290 1.00 0.00 H new ATOM 0 HA SER A 270 0.440 9.450 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 270 1.187 7.608 -1.732 1.00 0.00 H new ATOM 0 HB3 SER A 270 1.655 8.739 -0.477 1.00 0.00 H new ATOM 0 HG SER A 270 -0.879 7.819 -1.199 1.00 0.00 H new ATOM 268 N LEU A 271 1.544 11.645 -0.982 1.00 0.00 N ATOM 269 CA LEU A 271 1.249 12.935 -0.363 1.00 0.00 C ATOM 270 C LEU A 271 0.905 13.989 -1.411 1.00 0.00 C ATOM 271 O LEU A 271 -0.001 14.799 -1.210 1.00 0.00 O ATOM 272 CB LEU A 271 2.431 13.407 0.489 1.00 0.00 C ATOM 273 CG LEU A 271 2.675 12.600 1.767 1.00 0.00 C ATOM 274 CD1 LEU A 271 3.929 13.086 2.476 1.00 0.00 C ATOM 275 CD2 LEU A 271 1.469 12.694 2.693 1.00 0.00 C ATOM 0 H LEU A 271 2.474 11.281 -0.773 1.00 0.00 H new ATOM 0 HA LEU A 271 0.380 12.800 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 271 3.334 13.374 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 271 2.268 14.450 0.762 1.00 0.00 H new ATOM 0 HG LEU A 271 2.820 11.555 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 271 4.085 12.500 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 271 4.788 12.970 1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 271 3.814 14.137 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 271 1.658 12.115 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 271 1.295 13.737 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 271 0.589 12.298 2.186 1.00 0.00 H new ATOM 287 N LYS A 272 1.629 13.978 -2.527 1.00 0.00 N ATOM 288 CA LYS A 272 1.389 14.939 -3.600 1.00 0.00 C ATOM 289 C LYS A 272 -0.060 14.876 -4.073 1.00 0.00 C ATOM 290 O LYS A 272 -0.714 15.905 -4.240 1.00 0.00 O ATOM 291 CB LYS A 272 2.335 14.677 -4.775 1.00 0.00 C ATOM 292 CG LYS A 272 3.802 14.892 -4.439 1.00 0.00 C ATOM 293 CD LYS A 272 4.090 16.344 -4.086 1.00 0.00 C ATOM 294 CE LYS A 272 5.558 16.555 -3.749 1.00 0.00 C ATOM 295 NZ LYS A 272 5.855 17.974 -3.410 1.00 0.00 N ATOM 0 H LYS A 272 2.384 13.317 -2.712 1.00 0.00 H new ATOM 0 HA LYS A 272 1.581 15.937 -3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 272 2.197 13.652 -5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 272 2.061 15.331 -5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 272 4.082 14.251 -3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 272 4.417 14.595 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 272 3.812 16.985 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 272 3.474 16.642 -3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 272 5.832 15.917 -2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 272 6.172 16.249 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 6.866 18.073 -3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 5.618 18.581 -4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 5.289 18.260 -2.586 1.00 0.00 H new ATOM 396 N MET B 1 -15.801 -1.996 -2.537 1.00 0.00 N ATOM 397 CA MET B 1 -15.004 -0.939 -3.212 1.00 0.00 C ATOM 398 C MET B 1 -13.703 -1.506 -3.778 1.00 0.00 C ATOM 399 O MET B 1 -12.984 -2.238 -3.096 1.00 0.00 O ATOM 400 CB MET B 1 -14.708 0.166 -2.196 1.00 0.00 C ATOM 401 CG MET B 1 -13.915 1.327 -2.771 1.00 0.00 C ATOM 402 SD MET B 1 -13.654 2.650 -1.574 1.00 0.00 S ATOM 403 CE MET B 1 -12.806 1.770 -0.265 1.00 0.00 C ATOM 0 H1 MET B 1 -16.814 -1.816 -2.687 1.00 0.00 H new ATOM 0 H2 MET B 1 -15.552 -2.925 -2.933 1.00 0.00 H new ATOM 0 H3 MET B 1 -15.595 -1.988 -1.518 1.00 0.00 H new ATOM 0 HA MET B 1 -15.573 -0.536 -4.049 1.00 0.00 H new ATOM 0 HB2 MET B 1 -15.650 0.543 -1.797 1.00 0.00 H new ATOM 0 HB3 MET B 1 -14.156 -0.261 -1.359 1.00 0.00 H new ATOM 0 HG2 MET B 1 -12.949 0.964 -3.122 1.00 0.00 H new ATOM 0 HG3 MET B 1 -14.440 1.726 -3.639 1.00 0.00 H new ATOM 0 HE1 MET B 1 -12.484 2.477 0.499 1.00 0.00 H new ATOM 0 HE2 MET B 1 -13.482 1.039 0.179 1.00 0.00 H new ATOM 0 HE3 MET B 1 -11.936 1.258 -0.675 1.00 0.00 H new ATOM 415 N GLN B 2 -13.411 -1.164 -5.031 1.00 0.00 N ATOM 416 CA GLN B 2 -12.199 -1.638 -5.694 1.00 0.00 C ATOM 417 C GLN B 2 -11.050 -0.652 -5.515 1.00 0.00 C ATOM 418 O GLN B 2 -11.263 0.557 -5.438 1.00 0.00 O ATOM 419 CB GLN B 2 -12.459 -1.868 -7.185 1.00 0.00 C ATOM 420 CG GLN B 2 -12.900 -0.617 -7.927 1.00 0.00 C ATOM 421 CD GLN B 2 -13.170 -0.875 -9.396 1.00 0.00 C ATOM 422 OE1 GLN B 2 -12.279 -1.284 -10.141 1.00 0.00 O ATOM 423 NE2 GLN B 2 -14.405 -0.636 -9.821 1.00 0.00 N ATOM 0 H GLN B 2 -13.997 -0.560 -5.607 1.00 0.00 H new ATOM 0 HA GLN B 2 -11.916 -2.583 -5.231 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -11.551 -2.254 -7.648 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -13.225 -2.636 -7.297 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -13.802 -0.221 -7.460 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -12.129 0.148 -7.832 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -15.112 -0.298 -9.169 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -14.646 -0.791 -10.800 1.00 0.00 H new ATOM 432 N ILE B 3 -9.831 -1.178 -5.459 1.00 0.00 N ATOM 433 CA ILE B 3 -8.642 -0.349 -5.298 1.00 0.00 C ATOM 434 C ILE B 3 -7.461 -0.952 -6.051 1.00 0.00 C ATOM 435 O ILE B 3 -7.260 -2.167 -6.034 1.00 0.00 O ATOM 436 CB ILE B 3 -8.259 -0.180 -3.812 1.00 0.00 C ATOM 437 CG1 ILE B 3 -8.046 -1.548 -3.158 1.00 0.00 C ATOM 438 CG2 ILE B 3 -9.330 0.611 -3.072 1.00 0.00 C ATOM 439 CD1 ILE B 3 -7.555 -1.469 -1.728 1.00 0.00 C ATOM 0 H ILE B 3 -9.640 -2.178 -5.523 1.00 0.00 H new ATOM 0 HA ILE B 3 -8.880 0.632 -5.709 1.00 0.00 H new ATOM 0 HB ILE B 3 -7.324 0.377 -3.755 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -8.985 -2.102 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -7.327 -2.115 -3.749 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -9.044 0.721 -2.026 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -9.433 1.597 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -10.281 0.082 -3.134 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -7.427 -2.476 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -6.600 -0.944 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -8.284 -0.930 -1.122 1.00 0.00 H new ATOM 451 N PHE B 4 -6.685 -0.101 -6.718 1.00 0.00 N ATOM 452 CA PHE B 4 -5.529 -0.569 -7.478 1.00 0.00 C ATOM 453 C PHE B 4 -4.259 -0.573 -6.639 1.00 0.00 C ATOM 454 O PHE B 4 -3.883 0.442 -6.055 1.00 0.00 O ATOM 455 CB PHE B 4 -5.307 0.289 -8.724 1.00 0.00 C ATOM 456 CG PHE B 4 -6.139 -0.124 -9.903 1.00 0.00 C ATOM 457 CD1 PHE B 4 -7.421 0.370 -10.080 1.00 0.00 C ATOM 458 CD2 PHE B 4 -5.632 -1.014 -10.836 1.00 0.00 C ATOM 459 CE1 PHE B 4 -8.180 -0.016 -11.169 1.00 0.00 C ATOM 460 CE2 PHE B 4 -6.384 -1.404 -11.925 1.00 0.00 C ATOM 461 CZ PHE B 4 -7.661 -0.903 -12.093 1.00 0.00 C ATOM 0 H PHE B 4 -6.834 0.908 -6.748 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.748 -1.594 -7.777 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -5.529 1.328 -8.482 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -4.254 0.244 -9.001 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -7.831 1.063 -9.361 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -4.634 -1.408 -10.709 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -9.178 0.375 -11.298 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -5.976 -2.099 -12.644 1.00 0.00 H new ATOM 0 HZ PHE B 4 -8.252 -1.204 -12.945 1.00 0.00 H new ATOM 471 N VAL B 5 -3.588 -1.718 -6.608 1.00 0.00 N ATOM 472 CA VAL B 5 -2.343 -1.853 -5.870 1.00 0.00 C ATOM 473 C VAL B 5 -1.168 -1.429 -6.743 1.00 0.00 C ATOM 474 O VAL B 5 -1.051 -1.862 -7.891 1.00 0.00 O ATOM 475 CB VAL B 5 -2.126 -3.299 -5.385 1.00 0.00 C ATOM 476 CG1 VAL B 5 -0.815 -3.421 -4.621 1.00 0.00 C ATOM 477 CG2 VAL B 5 -3.294 -3.750 -4.523 1.00 0.00 C ATOM 0 H VAL B 5 -3.888 -2.567 -7.087 1.00 0.00 H new ATOM 0 HA VAL B 5 -2.406 -1.205 -4.996 1.00 0.00 H new ATOM 0 HB VAL B 5 -2.070 -3.949 -6.258 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -0.682 -4.450 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL B 5 0.013 -3.141 -5.272 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -0.836 -2.759 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -3.125 -4.774 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -3.381 -3.095 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -4.214 -3.706 -5.105 1.00 0.00 H new ATOM 487 N LYS B 6 -0.309 -0.578 -6.194 1.00 0.00 N ATOM 488 CA LYS B 6 0.858 -0.083 -6.917 1.00 0.00 C ATOM 489 C LYS B 6 2.136 -0.406 -6.151 1.00 0.00 C ATOM 490 O LYS B 6 2.329 0.060 -5.030 1.00 0.00 O ATOM 491 CB LYS B 6 0.738 1.431 -7.122 1.00 0.00 C ATOM 492 CG LYS B 6 1.926 2.061 -7.836 1.00 0.00 C ATOM 493 CD LYS B 6 2.044 1.577 -9.271 1.00 0.00 C ATOM 494 CE LYS B 6 3.194 2.259 -9.994 1.00 0.00 C ATOM 495 NZ LYS B 6 3.021 3.738 -10.047 1.00 0.00 N ATOM 0 H LYS B 6 -0.399 -0.214 -5.245 1.00 0.00 H new ATOM 0 HA LYS B 6 0.903 -0.574 -7.889 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -0.167 1.638 -7.694 1.00 0.00 H new ATOM 0 HB3 LYS B 6 0.617 1.909 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS B 6 1.822 3.146 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS B 6 2.842 1.823 -7.296 1.00 0.00 H new ATOM 0 HD2 LYS B 6 2.195 0.498 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS B 6 1.112 1.773 -9.801 1.00 0.00 H new ATOM 0 HE2 LYS B 6 4.131 2.021 -9.490 1.00 0.00 H new ATOM 0 HE3 LYS B 6 3.269 1.866 -11.008 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 3.661 4.137 -10.763 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 2.037 3.964 -10.297 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 3.244 4.147 -9.117 1.00 0.00 H new ATOM 509 N THR B 7 3.004 -1.206 -6.760 1.00 0.00 N ATOM 510 CA THR B 7 4.259 -1.588 -6.123 1.00 0.00 C ATOM 511 C THR B 7 5.395 -0.645 -6.514 1.00 0.00 C ATOM 512 O THR B 7 5.160 0.490 -6.930 1.00 0.00 O ATOM 513 CB THR B 7 4.651 -3.034 -6.485 1.00 0.00 C ATOM 514 OG1 THR B 7 4.778 -3.168 -7.905 1.00 0.00 O ATOM 515 CG2 THR B 7 3.615 -4.020 -5.968 1.00 0.00 C ATOM 0 H THR B 7 2.863 -1.601 -7.690 1.00 0.00 H new ATOM 0 HA THR B 7 4.099 -1.520 -5.047 1.00 0.00 H new ATOM 0 HB THR B 7 5.608 -3.256 -6.014 1.00 0.00 H new ATOM 0 HG1 THR B 7 5.446 -3.855 -8.110 1.00 0.00 H new ATOM 0 HG21 THR B 7 3.913 -5.034 -6.235 1.00 0.00 H new ATOM 0 HG22 THR B 7 3.543 -3.937 -4.884 1.00 0.00 H new ATOM 0 HG23 THR B 7 2.646 -3.797 -6.414 1.00 0.00 H new ATOM 563 N LYS B 11 4.148 -1.502 -10.960 1.00 0.00 N ATOM 564 CA LYS B 11 3.095 -2.482 -11.203 1.00 0.00 C ATOM 565 C LYS B 11 1.773 -2.022 -10.595 1.00 0.00 C ATOM 566 O LYS B 11 1.742 -1.504 -9.480 1.00 0.00 O ATOM 567 CB LYS B 11 3.494 -3.844 -10.629 1.00 0.00 C ATOM 568 CG LYS B 11 2.484 -4.947 -10.908 1.00 0.00 C ATOM 569 CD LYS B 11 2.969 -6.295 -10.394 1.00 0.00 C ATOM 570 CE LYS B 11 3.204 -6.275 -8.891 1.00 0.00 C ATOM 571 NZ LYS B 11 3.706 -7.585 -8.390 1.00 0.00 N ATOM 0 HA LYS B 11 2.962 -2.578 -12.281 1.00 0.00 H new ATOM 0 HB2 LYS B 11 4.459 -4.134 -11.044 1.00 0.00 H new ATOM 0 HB3 LYS B 11 3.626 -3.749 -9.551 1.00 0.00 H new ATOM 0 HG2 LYS B 11 1.533 -4.698 -10.437 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.301 -5.011 -11.981 1.00 0.00 H new ATOM 0 HD2 LYS B 11 2.234 -7.062 -10.637 1.00 0.00 H new ATOM 0 HD3 LYS B 11 3.894 -6.567 -10.903 1.00 0.00 H new ATOM 0 HE2 LYS B 11 3.923 -5.493 -8.646 1.00 0.00 H new ATOM 0 HE3 LYS B 11 2.274 -6.024 -8.381 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 3.204 -7.837 -7.515 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 3.540 -8.318 -9.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 4.725 -7.515 -8.196 1.00 0.00 H new ATOM 585 N THR B 12 0.684 -2.217 -11.334 1.00 0.00 N ATOM 586 CA THR B 12 -0.640 -1.822 -10.864 1.00 0.00 C ATOM 587 C THR B 12 -1.673 -2.895 -11.195 1.00 0.00 C ATOM 588 O THR B 12 -1.733 -3.377 -12.326 1.00 0.00 O ATOM 589 CB THR B 12 -1.081 -0.485 -11.491 1.00 0.00 C ATOM 590 OG1 THR B 12 -0.102 0.526 -11.226 1.00 0.00 O ATOM 591 CG2 THR B 12 -2.427 -0.043 -10.936 1.00 0.00 C ATOM 0 H THR B 12 0.693 -2.646 -12.260 1.00 0.00 H new ATOM 0 HA THR B 12 -0.576 -1.700 -9.783 1.00 0.00 H new ATOM 0 HB THR B 12 -1.177 -0.630 -12.567 1.00 0.00 H new ATOM 0 HG1 THR B 12 -0.388 1.372 -11.629 1.00 0.00 H new ATOM 0 HG21 THR B 12 -2.716 0.903 -11.394 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.179 -0.800 -11.160 1.00 0.00 H new ATOM 0 HG23 THR B 12 -2.351 0.085 -9.856 1.00 0.00 H new ATOM 599 N ILE B 13 -2.478 -3.274 -10.201 1.00 0.00 N ATOM 600 CA ILE B 13 -3.498 -4.306 -10.399 1.00 0.00 C ATOM 601 C ILE B 13 -4.731 -4.081 -9.527 1.00 0.00 C ATOM 602 O ILE B 13 -4.624 -3.716 -8.359 1.00 0.00 O ATOM 603 CB ILE B 13 -2.933 -5.713 -10.110 1.00 0.00 C ATOM 604 CG1 ILE B 13 -1.934 -6.109 -11.197 1.00 0.00 C ATOM 605 CG2 ILE B 13 -4.056 -6.740 -10.005 1.00 0.00 C ATOM 606 CD1 ILE B 13 -1.362 -7.495 -11.019 1.00 0.00 C ATOM 0 H ILE B 13 -2.445 -2.886 -9.258 1.00 0.00 H new ATOM 0 HA ILE B 13 -3.797 -4.236 -11.445 1.00 0.00 H new ATOM 0 HB ILE B 13 -2.415 -5.689 -9.151 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.425 -6.050 -12.168 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -1.117 -5.387 -11.208 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -3.632 -7.723 -9.801 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -4.730 -6.460 -9.195 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -4.609 -6.771 -10.944 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -0.662 -7.706 -11.827 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -0.842 -7.554 -10.063 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -2.169 -8.227 -11.038 1.00 0.00 H new ATOM 618 N THR B 14 -5.902 -4.323 -10.114 1.00 0.00 N ATOM 619 CA THR B 14 -7.169 -4.169 -9.410 1.00 0.00 C ATOM 620 C THR B 14 -7.243 -5.100 -8.205 1.00 0.00 C ATOM 621 O THR B 14 -6.769 -6.235 -8.256 1.00 0.00 O ATOM 622 CB THR B 14 -8.366 -4.476 -10.334 1.00 0.00 C ATOM 623 OG1 THR B 14 -8.291 -3.681 -11.520 1.00 0.00 O ATOM 624 CG2 THR B 14 -9.685 -4.207 -9.623 1.00 0.00 C ATOM 0 H THR B 14 -5.997 -4.629 -11.083 1.00 0.00 H new ATOM 0 HA THR B 14 -7.220 -3.132 -9.080 1.00 0.00 H new ATOM 0 HB THR B 14 -8.323 -5.532 -10.602 1.00 0.00 H new ATOM 0 HG1 THR B 14 -7.779 -2.866 -11.336 1.00 0.00 H new ATOM 0 HG21 THR B 14 -10.513 -4.431 -10.295 1.00 0.00 H new ATOM 0 HG22 THR B 14 -9.756 -4.838 -8.737 1.00 0.00 H new ATOM 0 HG23 THR B 14 -9.732 -3.159 -9.327 1.00 0.00 H new ATOM 632 N LEU B 15 -7.852 -4.618 -7.127 1.00 0.00 N ATOM 633 CA LEU B 15 -8.000 -5.415 -5.917 1.00 0.00 C ATOM 634 C LEU B 15 -9.272 -5.026 -5.171 1.00 0.00 C ATOM 635 O LEU B 15 -9.357 -3.948 -4.583 1.00 0.00 O ATOM 636 CB LEU B 15 -6.784 -5.233 -5.007 1.00 0.00 C ATOM 637 CG LEU B 15 -6.808 -6.058 -3.718 1.00 0.00 C ATOM 638 CD1 LEU B 15 -6.743 -7.545 -4.031 1.00 0.00 C ATOM 639 CD2 LEU B 15 -5.663 -5.652 -2.805 1.00 0.00 C ATOM 0 H LEU B 15 -8.250 -3.681 -7.067 1.00 0.00 H new ATOM 0 HA LEU B 15 -8.071 -6.464 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -5.887 -5.492 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -6.701 -4.179 -4.744 1.00 0.00 H new ATOM 0 HG LEU B 15 -7.747 -5.860 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -6.761 -8.114 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.599 -7.825 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -5.822 -7.763 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -5.695 -6.249 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -4.714 -5.820 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.757 -4.596 -2.551 1.00 0.00 H new ATOM 651 N GLU B 16 -10.260 -5.915 -5.205 1.00 0.00 N ATOM 652 CA GLU B 16 -11.535 -5.676 -4.539 1.00 0.00 C ATOM 653 C GLU B 16 -11.427 -5.941 -3.041 1.00 0.00 C ATOM 654 O GLU B 16 -10.909 -6.975 -2.624 1.00 0.00 O ATOM 655 CB GLU B 16 -12.623 -6.563 -5.149 1.00 0.00 C ATOM 656 CG GLU B 16 -13.987 -6.395 -4.498 1.00 0.00 C ATOM 657 CD GLU B 16 -14.517 -4.980 -4.608 1.00 0.00 C ATOM 658 OE1 GLU B 16 -14.699 -4.501 -5.747 1.00 0.00 O ATOM 659 OE2 GLU B 16 -14.751 -4.350 -3.555 1.00 0.00 O ATOM 0 H GLU B 16 -10.201 -6.811 -5.689 1.00 0.00 H new ATOM 0 HA GLU B 16 -11.802 -4.629 -4.684 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.708 -6.339 -6.212 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.317 -7.606 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -14.694 -7.081 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -13.920 -6.673 -3.446 1.00 0.00 H new ATOM 666 N VAL B 17 -11.930 -5.006 -2.239 1.00 0.00 N ATOM 667 CA VAL B 17 -11.899 -5.143 -0.786 1.00 0.00 C ATOM 668 C VAL B 17 -13.054 -4.385 -0.140 1.00 0.00 C ATOM 669 O VAL B 17 -13.282 -3.210 -0.431 1.00 0.00 O ATOM 670 CB VAL B 17 -10.572 -4.629 -0.184 1.00 0.00 C ATOM 671 CG1 VAL B 17 -9.405 -5.510 -0.604 1.00 0.00 C ATOM 672 CG2 VAL B 17 -10.325 -3.184 -0.589 1.00 0.00 C ATOM 0 H VAL B 17 -12.364 -4.145 -2.571 1.00 0.00 H new ATOM 0 HA VAL B 17 -11.992 -6.209 -0.576 1.00 0.00 H new ATOM 0 HB VAL B 17 -10.654 -4.674 0.902 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -8.483 -5.126 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -9.575 -6.529 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -9.320 -5.507 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -9.386 -2.840 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -10.270 -3.115 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -11.142 -2.560 -0.227 1.00 0.00 H new ATOM 682 N GLU B 18 -13.779 -5.065 0.742 1.00 0.00 N ATOM 683 CA GLU B 18 -14.907 -4.457 1.436 1.00 0.00 C ATOM 684 C GLU B 18 -14.416 -3.484 2.501 1.00 0.00 C ATOM 685 O GLU B 18 -13.436 -3.755 3.196 1.00 0.00 O ATOM 686 CB GLU B 18 -15.787 -5.533 2.072 1.00 0.00 C ATOM 687 CG GLU B 18 -16.344 -6.533 1.072 1.00 0.00 C ATOM 688 CD GLU B 18 -17.206 -7.593 1.729 1.00 0.00 C ATOM 689 OE1 GLU B 18 -16.687 -8.322 2.600 1.00 0.00 O ATOM 690 OE2 GLU B 18 -18.399 -7.693 1.373 1.00 0.00 O ATOM 0 H GLU B 18 -13.605 -6.038 0.993 1.00 0.00 H new ATOM 0 HA GLU B 18 -15.501 -3.906 0.707 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -15.206 -6.068 2.823 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -16.615 -5.052 2.592 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -16.933 -6.003 0.323 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -15.519 -7.014 0.547 1.00 0.00 H new ATOM 697 N SER B 19 -15.099 -2.350 2.622 1.00 0.00 N ATOM 698 CA SER B 19 -14.730 -1.334 3.601 1.00 0.00 C ATOM 699 C SER B 19 -14.617 -1.939 4.998 1.00 0.00 C ATOM 700 O SER B 19 -13.751 -1.554 5.784 1.00 0.00 O ATOM 701 CB SER B 19 -15.757 -0.199 3.602 1.00 0.00 C ATOM 702 OG SER B 19 -15.846 0.408 2.325 1.00 0.00 O ATOM 0 H SER B 19 -15.912 -2.112 2.054 1.00 0.00 H new ATOM 0 HA SER B 19 -13.757 -0.931 3.321 1.00 0.00 H new ATOM 0 HB2 SER B 19 -16.733 -0.588 3.892 1.00 0.00 H new ATOM 0 HB3 SER B 19 -15.477 0.548 4.345 1.00 0.00 H new ATOM 0 HG SER B 19 -16.510 1.129 2.351 1.00 0.00 H new ATOM 708 N SER B 20 -15.499 -2.888 5.300 1.00 0.00 N ATOM 709 CA SER B 20 -15.500 -3.549 6.602 1.00 0.00 C ATOM 710 C SER B 20 -14.182 -4.276 6.858 1.00 0.00 C ATOM 711 O SER B 20 -13.620 -4.188 7.950 1.00 0.00 O ATOM 712 CB SER B 20 -16.661 -4.540 6.692 1.00 0.00 C ATOM 713 OG SER B 20 -16.662 -5.214 7.939 1.00 0.00 O ATOM 0 H SER B 20 -16.223 -3.217 4.661 1.00 0.00 H new ATOM 0 HA SER B 20 -15.620 -2.779 7.364 1.00 0.00 H new ATOM 0 HB2 SER B 20 -17.605 -4.012 6.560 1.00 0.00 H new ATOM 0 HB3 SER B 20 -16.587 -5.266 5.883 1.00 0.00 H new ATOM 0 HG SER B 20 -17.415 -5.841 7.972 1.00 0.00 H new ATOM 719 N ASP B 21 -13.698 -4.999 5.852 1.00 0.00 N ATOM 720 CA ASP B 21 -12.448 -5.745 5.978 1.00 0.00 C ATOM 721 C ASP B 21 -11.290 -4.821 6.342 1.00 0.00 C ATOM 722 O ASP B 21 -11.123 -3.755 5.750 1.00 0.00 O ATOM 723 CB ASP B 21 -12.134 -6.487 4.678 1.00 0.00 C ATOM 724 CG ASP B 21 -13.162 -7.555 4.357 1.00 0.00 C ATOM 725 OD1 ASP B 21 -13.348 -8.470 5.188 1.00 0.00 O ATOM 726 OD2 ASP B 21 -13.778 -7.480 3.274 1.00 0.00 O ATOM 0 H ASP B 21 -14.151 -5.085 4.942 1.00 0.00 H new ATOM 0 HA ASP B 21 -12.573 -6.471 6.781 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -12.089 -5.772 3.857 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -11.149 -6.947 4.755 1.00 0.00 H new ATOM 731 N THR B 22 -10.496 -5.240 7.324 1.00 0.00 N ATOM 732 CA THR B 22 -9.354 -4.454 7.776 1.00 0.00 C ATOM 733 C THR B 22 -8.220 -4.477 6.752 1.00 0.00 C ATOM 734 O THR B 22 -8.455 -4.650 5.556 1.00 0.00 O ATOM 735 CB THR B 22 -8.829 -4.972 9.129 1.00 0.00 C ATOM 736 OG1 THR B 22 -8.410 -6.336 9.003 1.00 0.00 O ATOM 737 CG2 THR B 22 -9.902 -4.866 10.202 1.00 0.00 C ATOM 0 H THR B 22 -10.624 -6.121 7.822 1.00 0.00 H new ATOM 0 HA THR B 22 -9.700 -3.427 7.894 1.00 0.00 H new ATOM 0 HB THR B 22 -7.979 -4.356 9.423 1.00 0.00 H new ATOM 0 HG1 THR B 22 -8.076 -6.657 9.867 1.00 0.00 H new ATOM 0 HG21 THR B 22 -9.508 -5.237 11.148 1.00 0.00 H new ATOM 0 HG22 THR B 22 -10.200 -3.824 10.317 1.00 0.00 H new ATOM 0 HG23 THR B 22 -10.768 -5.461 9.911 1.00 0.00 H new ATOM 745 N ILE B 23 -6.989 -4.300 7.230 1.00 0.00 N ATOM 746 CA ILE B 23 -5.818 -4.299 6.359 1.00 0.00 C ATOM 747 C ILE B 23 -5.349 -5.722 6.060 1.00 0.00 C ATOM 748 O ILE B 23 -4.998 -6.044 4.923 1.00 0.00 O ATOM 749 CB ILE B 23 -4.657 -3.501 6.988 1.00 0.00 C ATOM 750 CG1 ILE B 23 -5.095 -2.061 7.279 1.00 0.00 C ATOM 751 CG2 ILE B 23 -3.441 -3.517 6.072 1.00 0.00 C ATOM 752 CD1 ILE B 23 -5.497 -1.282 6.043 1.00 0.00 C ATOM 0 H ILE B 23 -6.778 -4.155 8.217 1.00 0.00 H new ATOM 0 HA ILE B 23 -6.115 -3.820 5.426 1.00 0.00 H new ATOM 0 HB ILE B 23 -4.382 -3.974 7.930 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -5.934 -2.080 7.974 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -4.280 -1.537 7.778 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -2.632 -2.949 6.532 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.118 -4.546 5.914 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -3.701 -3.067 5.114 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -5.794 -0.273 6.329 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -4.653 -1.230 5.355 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -6.333 -1.782 5.554 1.00 0.00 H new ATOM 764 N ASP B 24 -5.341 -6.566 7.089 1.00 0.00 N ATOM 765 CA ASP B 24 -4.911 -7.955 6.943 1.00 0.00 C ATOM 766 C ASP B 24 -5.654 -8.652 5.808 1.00 0.00 C ATOM 767 O ASP B 24 -5.059 -9.413 5.046 1.00 0.00 O ATOM 768 CB ASP B 24 -5.118 -8.718 8.252 1.00 0.00 C ATOM 769 CG ASP B 24 -4.178 -8.251 9.346 1.00 0.00 C ATOM 770 OD1 ASP B 24 -3.334 -7.375 9.068 1.00 0.00 O ATOM 771 OD2 ASP B 24 -4.282 -8.768 10.478 1.00 0.00 O ATOM 0 H ASP B 24 -5.628 -6.312 8.034 1.00 0.00 H new ATOM 0 HA ASP B 24 -3.849 -7.949 6.698 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -6.149 -8.593 8.584 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -4.967 -9.783 8.077 1.00 0.00 H new ATOM 776 N ASN B 25 -6.952 -8.387 5.696 1.00 0.00 N ATOM 777 CA ASN B 25 -7.761 -8.992 4.644 1.00 0.00 C ATOM 778 C ASN B 25 -7.191 -8.642 3.273 1.00 0.00 C ATOM 779 O ASN B 25 -7.036 -9.510 2.409 1.00 0.00 O ATOM 780 CB ASN B 25 -9.211 -8.515 4.748 1.00 0.00 C ATOM 781 CG ASN B 25 -10.120 -9.192 3.741 1.00 0.00 C ATOM 782 OD1 ASN B 25 -9.915 -9.091 2.532 1.00 0.00 O ATOM 783 ND2 ASN B 25 -11.136 -9.887 4.239 1.00 0.00 N ATOM 0 H ASN B 25 -7.464 -7.761 6.317 1.00 0.00 H new ATOM 0 HA ASN B 25 -7.739 -10.075 4.768 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -9.582 -8.708 5.755 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -9.247 -7.436 4.597 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -11.784 -10.364 3.612 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -11.268 -9.944 5.249 1.00 0.00 H new ATOM 790 N VAL B 26 -6.867 -7.365 3.089 1.00 0.00 N ATOM 791 CA VAL B 26 -6.299 -6.893 1.834 1.00 0.00 C ATOM 792 C VAL B 26 -4.998 -7.626 1.527 1.00 0.00 C ATOM 793 O VAL B 26 -4.765 -8.049 0.396 1.00 0.00 O ATOM 794 CB VAL B 26 -6.030 -5.375 1.877 1.00 0.00 C ATOM 795 CG1 VAL B 26 -5.429 -4.895 0.565 1.00 0.00 C ATOM 796 CG2 VAL B 26 -7.311 -4.617 2.190 1.00 0.00 C ATOM 0 H VAL B 26 -6.989 -6.639 3.795 1.00 0.00 H new ATOM 0 HA VAL B 26 -7.027 -7.098 1.049 1.00 0.00 H new ATOM 0 HB VAL B 26 -5.310 -5.178 2.671 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -5.248 -3.821 0.619 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -4.487 -5.413 0.385 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -6.121 -5.106 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -7.104 -3.547 2.217 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -8.054 -4.824 1.419 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -7.695 -4.936 3.159 1.00 0.00 H new ATOM 806 N LYS B 27 -4.159 -7.781 2.547 1.00 0.00 N ATOM 807 CA LYS B 27 -2.884 -8.472 2.391 1.00 0.00 C ATOM 808 C LYS B 27 -3.102 -9.924 1.983 1.00 0.00 C ATOM 809 O LYS B 27 -2.373 -10.458 1.149 1.00 0.00 O ATOM 810 CB LYS B 27 -2.078 -8.413 3.689 1.00 0.00 C ATOM 811 CG LYS B 27 -1.687 -7.005 4.105 1.00 0.00 C ATOM 812 CD LYS B 27 -0.865 -6.310 3.032 1.00 0.00 C ATOM 813 CE LYS B 27 -0.432 -4.925 3.479 1.00 0.00 C ATOM 814 NZ LYS B 27 0.476 -4.982 4.659 1.00 0.00 N ATOM 0 H LYS B 27 -4.339 -7.437 3.490 1.00 0.00 H new ATOM 0 HA LYS B 27 -2.323 -7.968 1.604 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -2.661 -8.869 4.489 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -1.174 -9.011 3.572 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -2.586 -6.423 4.309 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -1.116 -7.045 5.032 1.00 0.00 H new ATOM 0 HD2 LYS B 27 0.014 -6.910 2.799 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -1.450 -6.232 2.116 1.00 0.00 H new ATOM 0 HE2 LYS B 27 0.073 -4.419 2.656 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -1.312 -4.331 3.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 0.948 -4.063 4.779 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -0.077 -5.201 5.512 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 1.192 -5.722 4.511 1.00 0.00 H new ATOM 828 N SER B 28 -4.109 -10.556 2.578 1.00 0.00 N ATOM 829 CA SER B 28 -4.424 -11.946 2.273 1.00 0.00 C ATOM 830 C SER B 28 -4.734 -12.111 0.791 1.00 0.00 C ATOM 831 O SER B 28 -4.215 -13.013 0.133 1.00 0.00 O ATOM 832 CB SER B 28 -5.613 -12.418 3.111 1.00 0.00 C ATOM 833 OG SER B 28 -5.922 -13.774 2.841 1.00 0.00 O ATOM 0 H SER B 28 -4.720 -10.127 3.273 1.00 0.00 H new ATOM 0 HA SER B 28 -3.555 -12.556 2.518 1.00 0.00 H new ATOM 0 HB2 SER B 28 -5.386 -12.298 4.170 1.00 0.00 H new ATOM 0 HB3 SER B 28 -6.482 -11.795 2.899 1.00 0.00 H new ATOM 0 HG SER B 28 -6.685 -14.051 3.391 1.00 0.00 H new ATOM 839 N LYS B 29 -5.579 -11.226 0.270 1.00 0.00 N ATOM 840 CA LYS B 29 -5.953 -11.269 -1.138 1.00 0.00 C ATOM 841 C LYS B 29 -4.734 -11.034 -2.026 1.00 0.00 C ATOM 842 O LYS B 29 -4.549 -11.716 -3.035 1.00 0.00 O ATOM 843 CB LYS B 29 -7.030 -10.225 -1.437 1.00 0.00 C ATOM 844 CG LYS B 29 -8.271 -10.368 -0.570 1.00 0.00 C ATOM 845 CD LYS B 29 -9.378 -9.426 -1.015 1.00 0.00 C ATOM 846 CE LYS B 29 -9.872 -9.768 -2.412 1.00 0.00 C ATOM 847 NZ LYS B 29 -10.402 -11.158 -2.488 1.00 0.00 N ATOM 0 H LYS B 29 -6.016 -10.473 0.801 1.00 0.00 H new ATOM 0 HA LYS B 29 -6.354 -12.259 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -6.609 -9.230 -1.294 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -7.318 -10.302 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -8.629 -11.397 -0.613 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -8.015 -10.163 0.469 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.208 -9.480 -0.311 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.012 -8.399 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.653 -9.065 -2.703 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -9.056 -9.651 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.967 -11.267 -3.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -9.610 -11.831 -2.504 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.000 -11.347 -1.658 1.00 0.00 H new ATOM 861 N ILE B 30 -3.904 -10.068 -1.641 1.00 0.00 N ATOM 862 CA ILE B 30 -2.698 -9.745 -2.397 1.00 0.00 C ATOM 863 C ILE B 30 -1.757 -10.943 -2.461 1.00 0.00 C ATOM 864 O ILE B 30 -1.195 -11.249 -3.511 1.00 0.00 O ATOM 865 CB ILE B 30 -1.949 -8.543 -1.780 1.00 0.00 C ATOM 866 CG1 ILE B 30 -2.822 -7.287 -1.836 1.00 0.00 C ATOM 867 CG2 ILE B 30 -0.626 -8.311 -2.499 1.00 0.00 C ATOM 868 CD1 ILE B 30 -2.181 -6.069 -1.205 1.00 0.00 C ATOM 0 H ILE B 30 -4.045 -9.495 -0.809 1.00 0.00 H new ATOM 0 HA ILE B 30 -3.016 -9.481 -3.406 1.00 0.00 H new ATOM 0 HB ILE B 30 -1.734 -8.767 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -3.056 -7.065 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -3.767 -7.490 -1.333 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -0.113 -7.460 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -0.002 -9.200 -2.409 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -0.816 -8.106 -3.553 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -2.859 -5.219 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -1.972 -6.271 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -1.250 -5.839 -1.722 1.00 0.00 H new ATOM 880 N GLN B 31 -1.593 -11.618 -1.329 1.00 0.00 N ATOM 881 CA GLN B 31 -0.725 -12.786 -1.250 1.00 0.00 C ATOM 882 C GLN B 31 -1.228 -13.897 -2.165 1.00 0.00 C ATOM 883 O GLN B 31 -0.446 -14.552 -2.849 1.00 0.00 O ATOM 884 CB GLN B 31 -0.648 -13.291 0.193 1.00 0.00 C ATOM 885 CG GLN B 31 0.209 -14.536 0.363 1.00 0.00 C ATOM 886 CD GLN B 31 0.258 -15.037 1.797 1.00 0.00 C ATOM 887 OE1 GLN B 31 0.928 -16.025 2.095 1.00 0.00 O ATOM 888 NE2 GLN B 31 -0.454 -14.362 2.696 1.00 0.00 N ATOM 0 H GLN B 31 -2.052 -11.375 -0.451 1.00 0.00 H new ATOM 0 HA GLN B 31 0.272 -12.493 -1.579 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -0.249 -12.498 0.825 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -1.656 -13.504 0.548 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -0.179 -15.327 -0.278 1.00 0.00 H new ATOM 0 HG3 GLN B 31 1.223 -14.321 0.025 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -0.997 -13.547 2.409 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -0.457 -14.659 3.672 1.00 0.00 H new ATOM 897 N ASP B 32 -2.538 -14.107 -2.164 1.00 0.00 N ATOM 898 CA ASP B 32 -3.145 -15.145 -2.989 1.00 0.00 C ATOM 899 C ASP B 32 -2.959 -14.861 -4.479 1.00 0.00 C ATOM 900 O ASP B 32 -2.651 -15.765 -5.256 1.00 0.00 O ATOM 901 CB ASP B 32 -4.635 -15.272 -2.666 1.00 0.00 C ATOM 902 CG ASP B 32 -5.309 -16.364 -3.474 1.00 0.00 C ATOM 903 OD1 ASP B 32 -4.893 -17.535 -3.351 1.00 0.00 O ATOM 904 OD2 ASP B 32 -6.251 -16.047 -4.230 1.00 0.00 O ATOM 0 H ASP B 32 -3.201 -13.573 -1.602 1.00 0.00 H new ATOM 0 HA ASP B 32 -2.642 -16.085 -2.760 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -4.757 -15.482 -1.603 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -5.129 -14.321 -2.862 1.00 0.00 H new ATOM 909 N LYS B 33 -3.167 -13.608 -4.875 1.00 0.00 N ATOM 910 CA LYS B 33 -3.041 -13.216 -6.278 1.00 0.00 C ATOM 911 C LYS B 33 -1.579 -13.086 -6.709 1.00 0.00 C ATOM 912 O LYS B 33 -1.105 -13.837 -7.562 1.00 0.00 O ATOM 913 CB LYS B 33 -3.764 -11.887 -6.520 1.00 0.00 C ATOM 914 CG LYS B 33 -3.835 -11.483 -7.986 1.00 0.00 C ATOM 915 CD LYS B 33 -4.747 -12.405 -8.783 1.00 0.00 C ATOM 916 CE LYS B 33 -6.193 -12.300 -8.319 1.00 0.00 C ATOM 917 NZ LYS B 33 -7.093 -13.196 -9.096 1.00 0.00 N ATOM 0 H LYS B 33 -3.423 -12.847 -4.246 1.00 0.00 H new ATOM 0 HA LYS B 33 -3.499 -14.004 -6.876 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -4.777 -11.958 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -3.257 -11.101 -5.961 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -4.197 -10.458 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -2.834 -11.501 -8.417 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -4.685 -12.153 -9.842 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -4.405 -13.435 -8.680 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -6.254 -12.554 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -6.532 -11.269 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -8.068 -13.094 -8.749 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -7.055 -12.938 -10.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -6.785 -14.183 -8.980 1.00 0.00 H new ATOM 931 N GLU B 34 -0.878 -12.115 -6.130 1.00 0.00 N ATOM 932 CA GLU B 34 0.522 -11.865 -6.470 1.00 0.00 C ATOM 933 C GLU B 34 1.442 -12.990 -6.001 1.00 0.00 C ATOM 934 O GLU B 34 2.399 -13.340 -6.693 1.00 0.00 O ATOM 935 CB GLU B 34 0.980 -10.529 -5.880 1.00 0.00 C ATOM 936 CG GLU B 34 0.241 -9.331 -6.454 1.00 0.00 C ATOM 937 CD GLU B 34 0.734 -8.013 -5.888 1.00 0.00 C ATOM 938 OE1 GLU B 34 1.943 -7.728 -6.015 1.00 0.00 O ATOM 939 OE2 GLU B 34 -0.091 -7.263 -5.325 1.00 0.00 O ATOM 0 H GLU B 34 -1.256 -11.486 -5.421 1.00 0.00 H new ATOM 0 HA GLU B 34 0.588 -11.824 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU B 34 0.839 -10.550 -4.799 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.048 -10.408 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU B 34 0.357 -9.323 -7.538 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -0.825 -9.434 -6.249 1.00 0.00 H new ATOM 946 N GLY B 35 1.164 -13.549 -4.828 1.00 0.00 N ATOM 947 CA GLY B 35 2.000 -14.617 -4.308 1.00 0.00 C ATOM 948 C GLY B 35 3.215 -14.088 -3.571 1.00 0.00 C ATOM 949 O GLY B 35 4.348 -14.466 -3.872 1.00 0.00 O ATOM 0 H GLY B 35 0.380 -13.284 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY B 35 1.412 -15.241 -3.635 1.00 0.00 H new ATOM 0 HA3 GLY B 35 2.325 -15.254 -5.130 1.00 0.00 H new ATOM 953 N ILE B 36 2.976 -13.205 -2.605 1.00 0.00 N ATOM 954 CA ILE B 36 4.051 -12.610 -1.819 1.00 0.00 C ATOM 955 C ILE B 36 3.624 -12.437 -0.359 1.00 0.00 C ATOM 956 O ILE B 36 2.506 -12.003 -0.082 1.00 0.00 O ATOM 957 CB ILE B 36 4.467 -11.237 -2.395 1.00 0.00 C ATOM 958 CG1 ILE B 36 4.971 -11.392 -3.834 1.00 0.00 C ATOM 959 CG2 ILE B 36 5.535 -10.590 -1.523 1.00 0.00 C ATOM 960 CD1 ILE B 36 5.343 -10.081 -4.495 1.00 0.00 C ATOM 0 H ILE B 36 2.042 -12.885 -2.348 1.00 0.00 H new ATOM 0 HA ILE B 36 4.904 -13.287 -1.867 1.00 0.00 H new ATOM 0 HB ILE B 36 3.592 -10.588 -2.402 1.00 0.00 H new ATOM 0 HG12 ILE B 36 5.841 -12.049 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE B 36 4.200 -11.882 -4.428 1.00 0.00 H new ATOM 0 HG21 ILE B 36 5.814 -9.625 -1.946 1.00 0.00 H new ATOM 0 HG22 ILE B 36 5.144 -10.446 -0.516 1.00 0.00 H new ATOM 0 HG23 ILE B 36 6.412 -11.236 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE B 36 5.690 -10.271 -5.510 1.00 0.00 H new ATOM 0 HD12 ILE B 36 4.470 -9.429 -4.526 1.00 0.00 H new ATOM 0 HD13 ILE B 36 6.136 -9.598 -3.925 1.00 0.00 H new ATOM 972 N PRO B 37 4.511 -12.781 0.597 1.00 0.00 N ATOM 973 CA PRO B 37 4.213 -12.664 2.030 1.00 0.00 C ATOM 974 C PRO B 37 3.680 -11.280 2.405 1.00 0.00 C ATOM 975 O PRO B 37 4.189 -10.263 1.935 1.00 0.00 O ATOM 976 CB PRO B 37 5.570 -12.911 2.694 1.00 0.00 C ATOM 977 CG PRO B 37 6.315 -13.758 1.723 1.00 0.00 C ATOM 978 CD PRO B 37 5.866 -13.317 0.358 1.00 0.00 C ATOM 0 HA PRO B 37 3.435 -13.361 2.342 1.00 0.00 H new ATOM 0 HB2 PRO B 37 6.093 -11.974 2.886 1.00 0.00 H new ATOM 0 HB3 PRO B 37 5.456 -13.415 3.654 1.00 0.00 H new ATOM 0 HG2 PRO B 37 7.391 -13.631 1.840 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.100 -14.815 1.882 1.00 0.00 H new ATOM 0 HD2 PRO B 37 6.530 -12.559 -0.057 1.00 0.00 H new ATOM 0 HD3 PRO B 37 5.850 -14.148 -0.347 1.00 0.00 H new ATOM 986 N PRO B 38 2.638 -11.225 3.257 1.00 0.00 N ATOM 987 CA PRO B 38 2.031 -9.959 3.690 1.00 0.00 C ATOM 988 C PRO B 38 3.000 -9.080 4.476 1.00 0.00 C ATOM 989 O PRO B 38 3.096 -7.878 4.232 1.00 0.00 O ATOM 990 CB PRO B 38 0.865 -10.399 4.584 1.00 0.00 C ATOM 991 CG PRO B 38 1.203 -11.787 5.006 1.00 0.00 C ATOM 992 CD PRO B 38 1.966 -12.389 3.862 1.00 0.00 C ATOM 0 HA PRO B 38 1.726 -9.352 2.838 1.00 0.00 H new ATOM 0 HB2 PRO B 38 0.758 -9.740 5.446 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -0.080 -10.371 4.042 1.00 0.00 H new ATOM 0 HG2 PRO B 38 1.802 -11.784 5.917 1.00 0.00 H new ATOM 0 HG3 PRO B 38 0.301 -12.361 5.220 1.00 0.00 H new ATOM 0 HD2 PRO B 38 2.683 -13.135 4.204 1.00 0.00 H new ATOM 0 HD3 PRO B 38 1.304 -12.885 3.153 1.00 0.00 H new ATOM 1000 N ASP B 39 3.712 -9.685 5.422 1.00 0.00 N ATOM 1001 CA ASP B 39 4.669 -8.952 6.245 1.00 0.00 C ATOM 1002 C ASP B 39 5.756 -8.315 5.384 1.00 0.00 C ATOM 1003 O ASP B 39 6.148 -7.170 5.608 1.00 0.00 O ATOM 1004 CB ASP B 39 5.304 -9.882 7.280 1.00 0.00 C ATOM 1005 CG ASP B 39 6.044 -11.041 6.641 1.00 0.00 C ATOM 1006 OD1 ASP B 39 5.398 -11.838 5.929 1.00 0.00 O ATOM 1007 OD2 ASP B 39 7.270 -11.149 6.850 1.00 0.00 O ATOM 0 H ASP B 39 3.645 -10.680 5.638 1.00 0.00 H new ATOM 0 HA ASP B 39 4.129 -8.159 6.762 1.00 0.00 H new ATOM 0 HB2 ASP B 39 5.995 -9.312 7.901 1.00 0.00 H new ATOM 0 HB3 ASP B 39 4.528 -10.270 7.940 1.00 0.00 H new ATOM 1012 N GLN B 40 6.238 -9.068 4.402 1.00 0.00 N ATOM 1013 CA GLN B 40 7.282 -8.587 3.504 1.00 0.00 C ATOM 1014 C GLN B 40 6.835 -7.329 2.764 1.00 0.00 C ATOM 1015 O GLN B 40 7.625 -6.409 2.549 1.00 0.00 O ATOM 1016 CB GLN B 40 7.657 -9.679 2.501 1.00 0.00 C ATOM 1017 CG GLN B 40 8.764 -9.273 1.541 1.00 0.00 C ATOM 1018 CD GLN B 40 9.127 -10.380 0.571 1.00 0.00 C ATOM 1019 OE1 GLN B 40 8.288 -10.846 -0.199 1.00 0.00 O ATOM 1020 NE2 GLN B 40 10.384 -10.807 0.604 1.00 0.00 N ATOM 0 H GLN B 40 5.921 -10.018 4.207 1.00 0.00 H new ATOM 0 HA GLN B 40 8.156 -8.336 4.105 1.00 0.00 H new ATOM 0 HB2 GLN B 40 7.970 -10.569 3.047 1.00 0.00 H new ATOM 0 HB3 GLN B 40 6.772 -9.952 1.926 1.00 0.00 H new ATOM 0 HG2 GLN B 40 8.450 -8.392 0.981 1.00 0.00 H new ATOM 0 HG3 GLN B 40 9.649 -8.989 2.111 1.00 0.00 H new ATOM 0 HE21 GLN B 40 11.047 -10.392 1.259 1.00 0.00 H new ATOM 0 HE22 GLN B 40 10.687 -11.550 -0.026 1.00 0.00 H new ATOM 1029 N GLN B 41 5.569 -7.302 2.365 1.00 0.00 N ATOM 1030 CA GLN B 41 5.023 -6.161 1.640 1.00 0.00 C ATOM 1031 C GLN B 41 4.614 -5.039 2.591 1.00 0.00 C ATOM 1032 O GLN B 41 3.792 -5.240 3.485 1.00 0.00 O ATOM 1033 CB GLN B 41 3.811 -6.592 0.814 1.00 0.00 C ATOM 1034 CG GLN B 41 4.103 -7.720 -0.161 1.00 0.00 C ATOM 1035 CD GLN B 41 2.874 -8.142 -0.941 1.00 0.00 C ATOM 1036 OE1 GLN B 41 2.299 -7.353 -1.690 1.00 0.00 O ATOM 1037 NE2 GLN B 41 2.460 -9.390 -0.764 1.00 0.00 N ATOM 0 H GLN B 41 4.902 -8.056 2.531 1.00 0.00 H new ATOM 0 HA GLN B 41 5.805 -5.786 0.980 1.00 0.00 H new ATOM 0 HB2 GLN B 41 3.015 -6.905 1.490 1.00 0.00 H new ATOM 0 HB3 GLN B 41 3.437 -5.732 0.259 1.00 0.00 H new ATOM 0 HG2 GLN B 41 4.880 -7.403 -0.856 1.00 0.00 H new ATOM 0 HG3 GLN B 41 4.495 -8.577 0.386 1.00 0.00 H new ATOM 0 HE21 GLN B 41 2.967 -10.011 -0.133 1.00 0.00 H new ATOM 0 HE22 GLN B 41 1.635 -9.729 -1.259 1.00 0.00 H new ATOM 1046 N ARG B 42 5.171 -3.851 2.374 1.00 0.00 N ATOM 1047 CA ARG B 42 4.841 -2.690 3.193 1.00 0.00 C ATOM 1048 C ARG B 42 3.728 -1.884 2.535 1.00 0.00 C ATOM 1049 O ARG B 42 3.899 -1.358 1.435 1.00 0.00 O ATOM 1050 CB ARG B 42 6.074 -1.805 3.407 1.00 0.00 C ATOM 1051 CG ARG B 42 7.057 -2.348 4.434 1.00 0.00 C ATOM 1052 CD ARG B 42 7.653 -3.679 4.006 1.00 0.00 C ATOM 1053 NE ARG B 42 8.576 -4.212 5.006 1.00 0.00 N ATOM 1054 CZ ARG B 42 8.217 -4.549 6.243 1.00 0.00 C ATOM 1055 NH1 ARG B 42 6.953 -4.430 6.630 1.00 0.00 N ATOM 1056 NH2 ARG B 42 9.122 -5.011 7.094 1.00 0.00 N ATOM 0 H ARG B 42 5.853 -3.667 1.638 1.00 0.00 H new ATOM 0 HA ARG B 42 4.499 -3.044 4.166 1.00 0.00 H new ATOM 0 HB2 ARG B 42 6.590 -1.683 2.455 1.00 0.00 H new ATOM 0 HB3 ARG B 42 5.747 -0.814 3.721 1.00 0.00 H new ATOM 0 HG2 ARG B 42 7.858 -1.625 4.586 1.00 0.00 H new ATOM 0 HG3 ARG B 42 6.550 -2.469 5.392 1.00 0.00 H new ATOM 0 HD2 ARG B 42 6.851 -4.397 3.834 1.00 0.00 H new ATOM 0 HD3 ARG B 42 8.177 -3.554 3.059 1.00 0.00 H new ATOM 0 HE ARG B 42 9.553 -4.333 4.740 1.00 0.00 H new ATOM 0 HH11 ARG B 42 6.251 -4.079 5.979 1.00 0.00 H new ATOM 0 HH12 ARG B 42 6.684 -4.690 7.579 1.00 0.00 H new ATOM 0 HH21 ARG B 42 10.094 -5.109 6.801 1.00 0.00 H new ATOM 0 HH22 ARG B 42 8.846 -5.269 8.042 1.00 0.00 H new ATOM 1070 N LEU B 43 2.586 -1.799 3.207 1.00 0.00 N ATOM 1071 CA LEU B 43 1.444 -1.067 2.675 1.00 0.00 C ATOM 1072 C LEU B 43 1.529 0.415 3.032 1.00 0.00 C ATOM 1073 O LEU B 43 1.784 0.776 4.183 1.00 0.00 O ATOM 1074 CB LEU B 43 0.144 -1.674 3.205 1.00 0.00 C ATOM 1075 CG LEU B 43 -1.123 -1.284 2.443 1.00 0.00 C ATOM 1076 CD1 LEU B 43 -0.993 -1.632 0.967 1.00 0.00 C ATOM 1077 CD2 LEU B 43 -2.339 -1.972 3.046 1.00 0.00 C ATOM 0 H LEU B 43 2.427 -2.227 4.119 1.00 0.00 H new ATOM 0 HA LEU B 43 1.456 -1.149 1.588 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.237 -2.760 3.188 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.025 -1.380 4.248 1.00 0.00 H new ATOM 0 HG LEU B 43 -1.255 -0.206 2.530 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -1.906 -1.346 0.444 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -0.146 -1.095 0.540 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -0.834 -2.705 0.859 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -3.232 -1.684 2.492 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -2.210 -3.053 2.990 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -2.446 -1.673 4.089 1.00 0.00 H new ATOM 1089 N ILE B 44 1.320 1.269 2.033 1.00 0.00 N ATOM 1090 CA ILE B 44 1.381 2.712 2.232 1.00 0.00 C ATOM 1091 C ILE B 44 0.217 3.416 1.541 1.00 0.00 C ATOM 1092 O ILE B 44 -0.180 3.047 0.433 1.00 0.00 O ATOM 1093 CB ILE B 44 2.700 3.298 1.690 1.00 0.00 C ATOM 1094 CG1 ILE B 44 3.902 2.574 2.304 1.00 0.00 C ATOM 1095 CG2 ILE B 44 2.771 4.793 1.975 1.00 0.00 C ATOM 1096 CD1 ILE B 44 5.237 3.058 1.778 1.00 0.00 C ATOM 0 H ILE B 44 1.107 0.985 1.077 1.00 0.00 H new ATOM 0 HA ILE B 44 1.323 2.881 3.307 1.00 0.00 H new ATOM 0 HB ILE B 44 2.728 3.150 0.610 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.879 2.703 3.386 1.00 0.00 H new ATOM 0 HG13 ILE B 44 3.810 1.506 2.109 1.00 0.00 H new ATOM 0 HG21 ILE B 44 3.708 5.193 1.587 1.00 0.00 H new ATOM 0 HG22 ILE B 44 1.933 5.296 1.492 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.723 4.961 3.051 1.00 0.00 H new ATOM 0 HD11 ILE B 44 6.041 2.500 2.258 1.00 0.00 H new ATOM 0 HD12 ILE B 44 5.281 2.903 0.700 1.00 0.00 H new ATOM 0 HD13 ILE B 44 5.351 4.120 1.997 1.00 0.00 H new ATOM 1108 N PHE B 45 -0.318 4.438 2.202 1.00 0.00 N ATOM 1109 CA PHE B 45 -1.431 5.205 1.656 1.00 0.00 C ATOM 1110 C PHE B 45 -1.493 6.588 2.294 1.00 0.00 C ATOM 1111 O PHE B 45 -1.258 6.741 3.494 1.00 0.00 O ATOM 1112 CB PHE B 45 -2.753 4.468 1.880 1.00 0.00 C ATOM 1113 CG PHE B 45 -3.940 5.156 1.262 1.00 0.00 C ATOM 1114 CD1 PHE B 45 -3.913 5.559 -0.065 1.00 0.00 C ATOM 1115 CD2 PHE B 45 -5.081 5.398 2.008 1.00 0.00 C ATOM 1116 CE1 PHE B 45 -5.002 6.190 -0.634 1.00 0.00 C ATOM 1117 CE2 PHE B 45 -6.174 6.029 1.444 1.00 0.00 C ATOM 1118 CZ PHE B 45 -6.135 6.426 0.121 1.00 0.00 C ATOM 0 H PHE B 45 0.002 4.754 3.117 1.00 0.00 H new ATOM 0 HA PHE B 45 -1.270 5.320 0.584 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -2.672 3.462 1.469 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -2.923 4.362 2.951 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.030 5.377 -0.660 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -5.118 5.090 3.043 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.968 6.499 -1.668 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -7.058 6.212 2.037 1.00 0.00 H new ATOM 0 HZ PHE B 45 -6.988 6.919 -0.322 1.00 0.00 H new ATOM 1128 N ALA B 46 -1.801 7.593 1.478 1.00 0.00 N ATOM 1129 CA ALA B 46 -1.889 8.970 1.952 1.00 0.00 C ATOM 1130 C ALA B 46 -0.607 9.381 2.667 1.00 0.00 C ATOM 1131 O ALA B 46 -0.644 10.106 3.662 1.00 0.00 O ATOM 1132 CB ALA B 46 -3.090 9.138 2.872 1.00 0.00 C ATOM 0 H ALA B 46 -1.994 7.478 0.483 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.019 9.621 1.088 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -3.142 10.171 3.217 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -4.002 8.891 2.329 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.987 8.473 3.730 1.00 0.00 H new ATOM 1138 N GLY B 47 0.524 8.911 2.152 1.00 0.00 N ATOM 1139 CA GLY B 47 1.805 9.233 2.751 1.00 0.00 C ATOM 1140 C GLY B 47 1.888 8.812 4.205 1.00 0.00 C ATOM 1141 O GLY B 47 2.485 9.509 5.026 1.00 0.00 O ATOM 0 H GLY B 47 0.576 8.311 1.328 1.00 0.00 H new ATOM 0 HA2 GLY B 47 2.599 8.743 2.188 1.00 0.00 H new ATOM 0 HA3 GLY B 47 1.978 10.307 2.676 1.00 0.00 H new ATOM 1145 N LYS B 48 1.287 7.668 4.524 1.00 0.00 N ATOM 1146 CA LYS B 48 1.296 7.154 5.889 1.00 0.00 C ATOM 1147 C LYS B 48 1.292 5.630 5.894 1.00 0.00 C ATOM 1148 O LYS B 48 0.568 4.997 5.123 1.00 0.00 O ATOM 1149 CB LYS B 48 0.084 7.675 6.670 1.00 0.00 C ATOM 1150 CG LYS B 48 0.078 9.184 6.863 1.00 0.00 C ATOM 1151 CD LYS B 48 -1.161 9.644 7.614 1.00 0.00 C ATOM 1152 CE LYS B 48 -1.163 11.150 7.822 1.00 0.00 C ATOM 1153 NZ LYS B 48 -2.364 11.605 8.577 1.00 0.00 N ATOM 0 H LYS B 48 0.788 7.081 3.856 1.00 0.00 H new ATOM 0 HA LYS B 48 2.208 7.505 6.372 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -0.826 7.382 6.147 1.00 0.00 H new ATOM 0 HB3 LYS B 48 0.059 7.193 7.647 1.00 0.00 H new ATOM 0 HG2 LYS B 48 0.970 9.485 7.412 1.00 0.00 H new ATOM 0 HG3 LYS B 48 0.120 9.676 5.891 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -2.053 9.352 7.059 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -1.208 9.143 8.581 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -0.262 11.443 8.362 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -1.132 11.650 6.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -2.328 12.637 8.698 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -3.223 11.348 8.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -2.381 11.148 9.511 1.00 0.00 H new ATOM 1167 N GLN B 49 2.109 5.047 6.767 1.00 0.00 N ATOM 1168 CA GLN B 49 2.204 3.596 6.875 1.00 0.00 C ATOM 1169 C GLN B 49 0.888 3.007 7.372 1.00 0.00 C ATOM 1170 O GLN B 49 0.386 3.396 8.427 1.00 0.00 O ATOM 1171 CB GLN B 49 3.332 3.206 7.833 1.00 0.00 C ATOM 1172 CG GLN B 49 4.693 3.767 7.451 1.00 0.00 C ATOM 1173 CD GLN B 49 5.178 3.277 6.100 1.00 0.00 C ATOM 1174 OE1 GLN B 49 4.570 3.561 5.069 1.00 0.00 O ATOM 1175 NE2 GLN B 49 6.279 2.535 6.100 1.00 0.00 N ATOM 0 H GLN B 49 2.714 5.558 7.409 1.00 0.00 H new ATOM 0 HA GLN B 49 2.420 3.196 5.884 1.00 0.00 H new ATOM 0 HB2 GLN B 49 3.078 3.550 8.836 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.398 2.119 7.876 1.00 0.00 H new ATOM 0 HG2 GLN B 49 4.641 4.856 7.439 1.00 0.00 H new ATOM 0 HG3 GLN B 49 5.421 3.491 8.214 1.00 0.00 H new ATOM 0 HE21 GLN B 49 6.752 2.324 6.979 1.00 0.00 H new ATOM 0 HE22 GLN B 49 6.652 2.176 5.221 1.00 0.00 H new ATOM 1184 N LEU B 50 0.338 2.065 6.614 1.00 0.00 N ATOM 1185 CA LEU B 50 -0.915 1.426 6.996 1.00 0.00 C ATOM 1186 C LEU B 50 -0.657 0.269 7.958 1.00 0.00 C ATOM 1187 O LEU B 50 0.234 -0.550 7.732 1.00 0.00 O ATOM 1188 CB LEU B 50 -1.667 0.936 5.755 1.00 0.00 C ATOM 1189 CG LEU B 50 -2.015 2.025 4.734 1.00 0.00 C ATOM 1190 CD1 LEU B 50 -2.814 1.442 3.580 1.00 0.00 C ATOM 1191 CD2 LEU B 50 -2.786 3.159 5.395 1.00 0.00 C ATOM 0 H LEU B 50 0.737 1.729 5.737 1.00 0.00 H new ATOM 0 HA LEU B 50 -1.535 2.163 7.506 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -1.063 0.175 5.260 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -2.590 0.452 6.076 1.00 0.00 H new ATOM 0 HG LEU B 50 -1.083 2.429 4.339 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -3.051 2.231 2.866 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -2.227 0.669 3.085 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -3.738 1.007 3.960 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -3.022 3.920 4.651 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -3.710 2.770 5.822 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -2.178 3.600 6.185 1.00 0.00 H new ATOM 1203 N GLU B 51 -1.435 0.216 9.036 1.00 0.00 N ATOM 1204 CA GLU B 51 -1.285 -0.834 10.040 1.00 0.00 C ATOM 1205 C GLU B 51 -1.667 -2.202 9.480 1.00 0.00 C ATOM 1206 O GLU B 51 -1.700 -2.399 8.266 1.00 0.00 O ATOM 1207 CB GLU B 51 -2.135 -0.507 11.265 1.00 0.00 C ATOM 1208 CG GLU B 51 -1.717 0.777 11.957 1.00 0.00 C ATOM 1209 CD GLU B 51 -0.265 0.756 12.395 1.00 0.00 C ATOM 1210 OE1 GLU B 51 0.096 -0.116 13.213 1.00 0.00 O ATOM 1211 OE2 GLU B 51 0.511 1.610 11.918 1.00 0.00 O ATOM 0 H GLU B 51 -2.176 0.888 9.237 1.00 0.00 H new ATOM 0 HA GLU B 51 -0.235 -0.877 10.330 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -3.179 -0.426 10.964 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -2.071 -1.332 11.974 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -1.877 1.618 11.282 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -2.353 0.940 12.827 1.00 0.00 H new ATOM 1218 N ASP B 52 -1.954 -3.144 10.376 1.00 0.00 N ATOM 1219 CA ASP B 52 -2.330 -4.497 9.987 1.00 0.00 C ATOM 1220 C ASP B 52 -3.553 -4.967 10.774 1.00 0.00 C ATOM 1221 O ASP B 52 -3.579 -6.086 11.286 1.00 0.00 O ATOM 1222 CB ASP B 52 -1.165 -5.460 10.232 1.00 0.00 C ATOM 1223 CG ASP B 52 0.031 -5.195 9.335 1.00 0.00 C ATOM 1224 OD1 ASP B 52 -0.057 -4.302 8.469 1.00 0.00 O ATOM 1225 OD2 ASP B 52 1.055 -5.891 9.497 1.00 0.00 O ATOM 0 H ASP B 52 -1.932 -2.991 11.384 1.00 0.00 H new ATOM 0 HA ASP B 52 -2.577 -4.488 8.925 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -0.853 -5.385 11.274 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -1.509 -6.483 10.075 1.00 0.00 H new ATOM 1230 N GLY B 53 -4.561 -4.107 10.873 1.00 0.00 N ATOM 1231 CA GLY B 53 -5.765 -4.462 11.603 1.00 0.00 C ATOM 1232 C GLY B 53 -6.707 -3.289 11.785 1.00 0.00 C ATOM 1233 O GLY B 53 -7.198 -3.046 12.887 1.00 0.00 O ATOM 0 H GLY B 53 -4.567 -3.173 10.462 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -6.284 -5.260 11.073 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -5.489 -4.856 12.581 1.00 0.00 H new ATOM 1237 N ARG B 54 -6.961 -2.560 10.703 1.00 0.00 N ATOM 1238 CA ARG B 54 -7.851 -1.408 10.752 1.00 0.00 C ATOM 1239 C ARG B 54 -8.805 -1.406 9.563 1.00 0.00 C ATOM 1240 O ARG B 54 -8.392 -1.605 8.421 1.00 0.00 O ATOM 1241 CB ARG B 54 -7.041 -0.110 10.767 1.00 0.00 C ATOM 1242 CG ARG B 54 -6.099 0.020 11.955 1.00 0.00 C ATOM 1243 CD ARG B 54 -6.851 -0.022 13.277 1.00 0.00 C ATOM 1244 NE ARG B 54 -5.961 0.153 14.424 1.00 0.00 N ATOM 1245 CZ ARG B 54 -4.964 -0.676 14.727 1.00 0.00 C ATOM 1246 NH1 ARG B 54 -4.731 -1.748 13.981 1.00 0.00 N ATOM 1247 NH2 ARG B 54 -4.200 -0.433 15.783 1.00 0.00 N ATOM 0 H ARG B 54 -6.563 -2.747 9.783 1.00 0.00 H new ATOM 0 HA ARG B 54 -8.438 -1.475 11.668 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -6.460 -0.046 9.847 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -7.729 0.735 10.768 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -5.366 -0.786 11.928 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -5.546 0.957 11.880 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -7.611 0.760 13.286 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -7.373 -0.975 13.366 1.00 0.00 H new ATOM 0 HE ARG B 54 -6.113 0.960 15.029 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -5.317 -1.942 13.169 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -3.965 -2.379 14.219 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -4.376 0.388 16.362 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -3.436 -1.067 16.016 1.00 0.00 H new ATOM 1261 N THR B 55 -10.083 -1.180 9.843 1.00 0.00 N ATOM 1262 CA THR B 55 -11.102 -1.152 8.802 1.00 0.00 C ATOM 1263 C THR B 55 -10.892 0.023 7.851 1.00 0.00 C ATOM 1264 O THR B 55 -10.712 1.161 8.285 1.00 0.00 O ATOM 1265 CB THR B 55 -12.515 -1.058 9.407 1.00 0.00 C ATOM 1266 OG1 THR B 55 -12.637 0.139 10.184 1.00 0.00 O ATOM 1267 CG2 THR B 55 -12.810 -2.267 10.281 1.00 0.00 C ATOM 0 H THR B 55 -10.438 -1.013 10.784 1.00 0.00 H new ATOM 0 HA THR B 55 -11.009 -2.085 8.246 1.00 0.00 H new ATOM 0 HB THR B 55 -13.236 -1.035 8.589 1.00 0.00 H new ATOM 0 HG1 THR B 55 -11.985 0.800 9.871 1.00 0.00 H new ATOM 0 HG21 THR B 55 -13.813 -2.179 10.698 1.00 0.00 H new ATOM 0 HG22 THR B 55 -12.745 -3.174 9.681 1.00 0.00 H new ATOM 0 HG23 THR B 55 -12.083 -2.316 11.092 1.00 0.00 H new ATOM 1275 N LEU B 56 -10.922 -0.262 6.554 1.00 0.00 N ATOM 1276 CA LEU B 56 -10.741 0.766 5.535 1.00 0.00 C ATOM 1277 C LEU B 56 -11.880 1.781 5.579 1.00 0.00 C ATOM 1278 O LEU B 56 -11.693 2.952 5.247 1.00 0.00 O ATOM 1279 CB LEU B 56 -10.662 0.130 4.145 1.00 0.00 C ATOM 1280 CG LEU B 56 -9.509 -0.856 3.944 1.00 0.00 C ATOM 1281 CD1 LEU B 56 -9.556 -1.452 2.545 1.00 0.00 C ATOM 1282 CD2 LEU B 56 -8.171 -0.172 4.187 1.00 0.00 C ATOM 0 H LEU B 56 -11.071 -1.200 6.182 1.00 0.00 H new ATOM 0 HA LEU B 56 -9.806 1.286 5.741 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -11.600 -0.388 3.946 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -10.573 0.924 3.404 1.00 0.00 H new ATOM 0 HG LEU B 56 -9.618 -1.664 4.668 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -8.729 -2.151 2.419 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -10.500 -1.978 2.405 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -9.472 -0.654 1.807 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -7.364 -0.889 4.039 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -8.053 0.656 3.488 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -8.137 0.208 5.208 1.00 0.00 H new ATOM 1294 N SER B 57 -13.060 1.319 5.983 1.00 0.00 N ATOM 1295 CA SER B 57 -14.238 2.178 6.065 1.00 0.00 C ATOM 1296 C SER B 57 -13.946 3.440 6.869 1.00 0.00 C ATOM 1297 O SER B 57 -14.377 4.531 6.501 1.00 0.00 O ATOM 1298 CB SER B 57 -15.406 1.419 6.697 1.00 0.00 C ATOM 1299 OG SER B 57 -16.561 2.235 6.775 1.00 0.00 O ATOM 0 H SER B 57 -13.226 0.351 6.260 1.00 0.00 H new ATOM 0 HA SER B 57 -14.507 2.472 5.051 1.00 0.00 H new ATOM 0 HB2 SER B 57 -15.625 0.528 6.109 1.00 0.00 H new ATOM 0 HB3 SER B 57 -15.127 1.082 7.695 1.00 0.00 H new ATOM 0 HG SER B 57 -17.294 1.727 7.181 1.00 0.00 H new ATOM 1305 N ASP B 58 -13.215 3.287 7.968 1.00 0.00 N ATOM 1306 CA ASP B 58 -12.870 4.420 8.820 1.00 0.00 C ATOM 1307 C ASP B 58 -11.979 5.413 8.076 1.00 0.00 C ATOM 1308 O ASP B 58 -12.162 6.626 8.182 1.00 0.00 O ATOM 1309 CB ASP B 58 -12.170 3.937 10.092 1.00 0.00 C ATOM 1310 CG ASP B 58 -13.058 3.048 10.941 1.00 0.00 C ATOM 1311 OD1 ASP B 58 -14.216 2.804 10.538 1.00 0.00 O ATOM 1312 OD2 ASP B 58 -12.597 2.597 12.010 1.00 0.00 O ATOM 0 H ASP B 58 -12.850 2.390 8.290 1.00 0.00 H new ATOM 0 HA ASP B 58 -13.794 4.928 9.095 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -11.267 3.390 9.821 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -11.856 4.799 10.680 1.00 0.00 H new ATOM 1317 N TYR B 59 -11.014 4.887 7.325 1.00 0.00 N ATOM 1318 CA TYR B 59 -10.089 5.721 6.560 1.00 0.00 C ATOM 1319 C TYR B 59 -10.828 6.581 5.540 1.00 0.00 C ATOM 1320 O TYR B 59 -10.332 7.632 5.131 1.00 0.00 O ATOM 1321 CB TYR B 59 -9.048 4.855 5.843 1.00 0.00 C ATOM 1322 CG TYR B 59 -8.082 4.148 6.770 1.00 0.00 C ATOM 1323 CD1 TYR B 59 -8.536 3.287 7.762 1.00 0.00 C ATOM 1324 CD2 TYR B 59 -6.711 4.344 6.651 1.00 0.00 C ATOM 1325 CE1 TYR B 59 -7.653 2.643 8.607 1.00 0.00 C ATOM 1326 CE2 TYR B 59 -5.822 3.703 7.492 1.00 0.00 C ATOM 1327 CZ TYR B 59 -6.297 2.854 8.468 1.00 0.00 C ATOM 1328 OH TYR B 59 -5.415 2.214 9.309 1.00 0.00 O ATOM 0 H TYR B 59 -10.852 3.885 7.230 1.00 0.00 H new ATOM 0 HA TYR B 59 -9.584 6.380 7.267 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -9.566 4.110 5.239 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -8.481 5.483 5.156 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -9.597 3.119 7.874 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -6.334 5.009 5.888 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -8.023 1.977 9.373 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -4.760 3.866 7.385 1.00 0.00 H new ATOM 0 HH TYR B 59 -4.498 2.470 9.077 1.00 0.00 H new ATOM 1338 N ASN B 60 -12.006 6.121 5.120 1.00 0.00 N ATOM 1339 CA ASN B 60 -12.808 6.840 4.132 1.00 0.00 C ATOM 1340 C ASN B 60 -12.096 6.867 2.783 1.00 0.00 C ATOM 1341 O ASN B 60 -12.079 7.889 2.095 1.00 0.00 O ATOM 1342 CB ASN B 60 -13.092 8.272 4.604 1.00 0.00 C ATOM 1343 CG ASN B 60 -13.886 8.327 5.899 1.00 0.00 C ATOM 1344 OD1 ASN B 60 -14.132 9.405 6.440 1.00 0.00 O ATOM 1345 ND2 ASN B 60 -14.295 7.168 6.403 1.00 0.00 N ATOM 0 H ASN B 60 -12.426 5.252 5.450 1.00 0.00 H new ATOM 0 HA ASN B 60 -13.757 6.315 4.018 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -12.147 8.797 4.742 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -13.641 8.803 3.826 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -14.834 7.150 7.269 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -14.070 6.296 5.924 1.00 0.00 H new ATOM 1352 N ILE B 61 -11.503 5.735 2.415 1.00 0.00 N ATOM 1353 CA ILE B 61 -10.781 5.619 1.154 1.00 0.00 C ATOM 1354 C ILE B 61 -11.722 5.747 -0.040 1.00 0.00 C ATOM 1355 O ILE B 61 -12.784 5.127 -0.077 1.00 0.00 O ATOM 1356 CB ILE B 61 -10.034 4.274 1.060 1.00 0.00 C ATOM 1357 CG1 ILE B 61 -9.073 4.119 2.242 1.00 0.00 C ATOM 1358 CG2 ILE B 61 -9.282 4.175 -0.261 1.00 0.00 C ATOM 1359 CD1 ILE B 61 -8.344 2.793 2.262 1.00 0.00 C ATOM 0 H ILE B 61 -11.509 4.883 2.975 1.00 0.00 H new ATOM 0 HA ILE B 61 -10.059 6.435 1.129 1.00 0.00 H new ATOM 0 HB ILE B 61 -10.763 3.465 1.099 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -8.341 4.926 2.212 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -9.632 4.230 3.171 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -8.760 3.220 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -9.988 4.247 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -8.559 4.988 -0.330 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -7.682 2.755 3.127 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -9.068 1.981 2.324 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.757 2.687 1.350 1.00 0.00 H new ATOM 1371 N GLN B 62 -11.317 6.552 -1.018 1.00 0.00 N ATOM 1372 CA GLN B 62 -12.115 6.758 -2.221 1.00 0.00 C ATOM 1373 C GLN B 62 -12.090 5.516 -3.107 1.00 0.00 C ATOM 1374 O GLN B 62 -11.139 4.736 -3.071 1.00 0.00 O ATOM 1375 CB GLN B 62 -11.600 7.967 -3.004 1.00 0.00 C ATOM 1376 CG GLN B 62 -11.637 9.267 -2.216 1.00 0.00 C ATOM 1377 CD GLN B 62 -11.134 10.462 -3.011 1.00 0.00 C ATOM 1378 OE1 GLN B 62 -11.109 11.585 -2.508 1.00 0.00 O ATOM 1379 NE2 GLN B 62 -10.730 10.231 -4.258 1.00 0.00 N ATOM 0 H GLN B 62 -10.440 7.072 -1.000 1.00 0.00 H new ATOM 0 HA GLN B 62 -13.144 6.946 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -10.575 7.774 -3.321 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -12.197 8.084 -3.909 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -12.660 9.459 -1.891 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -11.032 9.157 -1.316 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -10.766 9.286 -4.639 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -10.384 10.999 -4.833 1.00 0.00 H new ATOM 1388 N LYS B 63 -13.142 5.335 -3.899 1.00 0.00 N ATOM 1389 CA LYS B 63 -13.234 4.186 -4.793 1.00 0.00 C ATOM 1390 C LYS B 63 -12.196 4.280 -5.910 1.00 0.00 C ATOM 1391 O LYS B 63 -11.895 5.369 -6.401 1.00 0.00 O ATOM 1392 CB LYS B 63 -14.639 4.083 -5.390 1.00 0.00 C ATOM 1393 CG LYS B 63 -14.988 5.225 -6.328 1.00 0.00 C ATOM 1394 CD LYS B 63 -16.414 5.107 -6.840 1.00 0.00 C ATOM 1395 CE LYS B 63 -16.761 6.245 -7.786 1.00 0.00 C ATOM 1396 NZ LYS B 63 -15.872 6.267 -8.980 1.00 0.00 N ATOM 0 H LYS B 63 -13.941 5.968 -3.940 1.00 0.00 H new ATOM 0 HA LYS B 63 -13.032 3.288 -4.209 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -14.726 3.141 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -15.367 4.054 -4.580 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -14.864 6.175 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -14.297 5.230 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -16.540 4.154 -7.354 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -17.106 5.109 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -17.798 6.146 -8.107 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -16.681 7.194 -7.256 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -16.287 6.879 -9.711 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -14.937 6.635 -8.710 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -15.769 5.302 -9.354 1.00 0.00 H new ATOM 1410 N GLU B 64 -11.658 3.130 -6.303 1.00 0.00 N ATOM 1411 CA GLU B 64 -10.655 3.061 -7.364 1.00 0.00 C ATOM 1412 C GLU B 64 -9.394 3.842 -6.996 1.00 0.00 C ATOM 1413 O GLU B 64 -8.769 4.469 -7.852 1.00 0.00 O ATOM 1414 CB GLU B 64 -11.234 3.591 -8.679 1.00 0.00 C ATOM 1415 CG GLU B 64 -12.438 2.806 -9.175 1.00 0.00 C ATOM 1416 CD GLU B 64 -12.996 3.349 -10.478 1.00 0.00 C ATOM 1417 OE1 GLU B 64 -12.441 4.341 -10.996 1.00 0.00 O ATOM 1418 OE2 GLU B 64 -13.989 2.782 -10.980 1.00 0.00 O ATOM 0 H GLU B 64 -11.901 2.225 -5.900 1.00 0.00 H new ATOM 0 HA GLU B 64 -10.378 2.014 -7.489 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -11.521 4.634 -8.546 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -10.457 3.569 -9.443 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -12.154 1.763 -9.313 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -13.218 2.826 -8.414 1.00 0.00 H new ATOM 1425 N SER B 65 -9.017 3.789 -5.722 1.00 0.00 N ATOM 1426 CA SER B 65 -7.822 4.480 -5.246 1.00 0.00 C ATOM 1427 C SER B 65 -6.586 3.599 -5.395 1.00 0.00 C ATOM 1428 O SER B 65 -6.647 2.385 -5.190 1.00 0.00 O ATOM 1429 CB SER B 65 -7.990 4.904 -3.786 1.00 0.00 C ATOM 1430 OG SER B 65 -8.981 5.906 -3.657 1.00 0.00 O ATOM 0 H SER B 65 -9.522 3.275 -5.000 1.00 0.00 H new ATOM 0 HA SER B 65 -7.686 5.372 -5.858 1.00 0.00 H new ATOM 0 HB2 SER B 65 -8.263 4.039 -3.182 1.00 0.00 H new ATOM 0 HB3 SER B 65 -7.041 5.275 -3.400 1.00 0.00 H new ATOM 0 HG SER B 65 -9.696 5.585 -3.069 1.00 0.00 H new ATOM 1436 N THR B 66 -5.466 4.217 -5.757 1.00 0.00 N ATOM 1437 CA THR B 66 -4.215 3.490 -5.931 1.00 0.00 C ATOM 1438 C THR B 66 -3.388 3.505 -4.647 1.00 0.00 C ATOM 1439 O THR B 66 -2.873 4.547 -4.242 1.00 0.00 O ATOM 1440 CB THR B 66 -3.378 4.088 -7.080 1.00 0.00 C ATOM 1441 OG1 THR B 66 -4.130 4.062 -8.299 1.00 0.00 O ATOM 1442 CG2 THR B 66 -2.081 3.318 -7.268 1.00 0.00 C ATOM 0 H THR B 66 -5.400 5.219 -5.935 1.00 0.00 H new ATOM 0 HA THR B 66 -4.474 2.460 -6.178 1.00 0.00 H new ATOM 0 HB THR B 66 -3.136 5.119 -6.821 1.00 0.00 H new ATOM 0 HG1 THR B 66 -3.592 4.445 -9.023 1.00 0.00 H new ATOM 0 HG21 THR B 66 -1.510 3.761 -8.084 1.00 0.00 H new ATOM 0 HG22 THR B 66 -1.495 3.362 -6.350 1.00 0.00 H new ATOM 0 HG23 THR B 66 -2.306 2.278 -7.505 1.00 0.00 H new ATOM 1450 N LEU B 67 -3.260 2.341 -4.015 1.00 0.00 N ATOM 1451 CA LEU B 67 -2.488 2.216 -2.781 1.00 0.00 C ATOM 1452 C LEU B 67 -1.030 1.895 -3.092 1.00 0.00 C ATOM 1453 O LEU B 67 -0.743 1.075 -3.962 1.00 0.00 O ATOM 1454 CB LEU B 67 -3.086 1.131 -1.876 1.00 0.00 C ATOM 1455 CG LEU B 67 -4.447 1.465 -1.251 1.00 0.00 C ATOM 1456 CD1 LEU B 67 -5.512 1.646 -2.322 1.00 0.00 C ATOM 1457 CD2 LEU B 67 -4.860 0.377 -0.271 1.00 0.00 C ATOM 0 H LEU B 67 -3.681 1.470 -4.337 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.531 3.170 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -3.188 0.214 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.379 0.922 -1.073 1.00 0.00 H new ATOM 0 HG LEU B 67 -4.349 2.406 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -6.466 1.882 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -5.225 2.461 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -5.610 0.725 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -5.827 0.628 0.164 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -4.934 -0.576 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -4.115 0.299 0.521 1.00 0.00 H new ATOM 1469 N HIS B 68 -0.110 2.545 -2.385 1.00 0.00 N ATOM 1470 CA HIS B 68 1.314 2.317 -2.607 1.00 0.00 C ATOM 1471 C HIS B 68 1.798 1.069 -1.874 1.00 0.00 C ATOM 1472 O HIS B 68 1.249 0.686 -0.842 1.00 0.00 O ATOM 1473 CB HIS B 68 2.136 3.539 -2.189 1.00 0.00 C ATOM 1474 CG HIS B 68 1.860 4.758 -3.019 1.00 0.00 C ATOM 1475 ND1 HIS B 68 2.696 5.852 -3.048 1.00 0.00 N ATOM 1476 CD2 HIS B 68 0.832 5.053 -3.852 1.00 0.00 C ATOM 1477 CE1 HIS B 68 2.196 6.765 -3.863 1.00 0.00 C ATOM 1478 NE2 HIS B 68 1.067 6.305 -4.363 1.00 0.00 N ATOM 0 H HIS B 68 -0.323 3.229 -1.659 1.00 0.00 H new ATOM 0 HA HIS B 68 1.458 2.156 -3.675 1.00 0.00 H new ATOM 0 HB2 HIS B 68 1.928 3.766 -1.143 1.00 0.00 H new ATOM 0 HB3 HIS B 68 3.196 3.295 -2.258 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -0.015 4.420 -4.073 1.00 0.00 H new ATOM 0 HE1 HIS B 68 2.638 7.726 -4.082 1.00 0.00 H new ATOM 0 HE2 HIS B 68 0.466 6.799 -5.022 1.00 0.00 H new ATOM 1487 N LEU B 69 2.826 0.434 -2.430 1.00 0.00 N ATOM 1488 CA LEU B 69 3.390 -0.780 -1.851 1.00 0.00 C ATOM 1489 C LEU B 69 4.908 -0.797 -2.015 1.00 0.00 C ATOM 1490 O LEU B 69 5.434 -0.356 -3.037 1.00 0.00 O ATOM 1491 CB LEU B 69 2.779 -2.014 -2.516 1.00 0.00 C ATOM 1492 CG LEU B 69 3.261 -3.357 -1.965 1.00 0.00 C ATOM 1493 CD1 LEU B 69 2.939 -3.474 -0.486 1.00 0.00 C ATOM 1494 CD2 LEU B 69 2.630 -4.503 -2.733 1.00 0.00 C ATOM 0 H LEU B 69 3.287 0.743 -3.286 1.00 0.00 H new ATOM 0 HA LEU B 69 3.154 -0.796 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU B 69 1.695 -1.964 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.998 -1.978 -3.583 1.00 0.00 H new ATOM 0 HG LEU B 69 4.343 -3.409 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.290 -4.436 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU B 69 3.435 -2.671 0.059 1.00 0.00 H new ATOM 0 HD13 LEU B 69 1.861 -3.400 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.984 -5.451 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.545 -4.450 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU B 69 2.907 -4.432 -3.785 1.00 0.00 H new ATOM 1506 N VAL B 70 5.606 -1.302 -1.002 1.00 0.00 N ATOM 1507 CA VAL B 70 7.063 -1.367 -1.035 1.00 0.00 C ATOM 1508 C VAL B 70 7.552 -2.738 -0.578 1.00 0.00 C ATOM 1509 O VAL B 70 7.309 -3.147 0.557 1.00 0.00 O ATOM 1510 CB VAL B 70 7.682 -0.283 -0.129 1.00 0.00 C ATOM 1511 CG1 VAL B 70 9.194 -0.234 -0.287 1.00 0.00 C ATOM 1512 CG2 VAL B 70 7.067 1.075 -0.424 1.00 0.00 C ATOM 0 H VAL B 70 5.186 -1.672 -0.149 1.00 0.00 H new ATOM 0 HA VAL B 70 7.377 -1.196 -2.065 1.00 0.00 H new ATOM 0 HB VAL B 70 7.462 -0.544 0.906 1.00 0.00 H new ATOM 0 HG11 VAL B 70 9.603 0.539 0.363 1.00 0.00 H new ATOM 0 HG12 VAL B 70 9.620 -1.200 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL B 70 9.444 -0.006 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL B 70 7.516 1.827 0.225 1.00 0.00 H new ATOM 0 HG22 VAL B 70 7.250 1.339 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL B 70 5.993 1.035 -0.243 1.00 0.00 H new ATOM 1522 N LEU B 71 8.238 -3.446 -1.469 1.00 0.00 N ATOM 1523 CA LEU B 71 8.755 -4.775 -1.155 1.00 0.00 C ATOM 1524 C LEU B 71 9.926 -4.692 -0.182 1.00 0.00 C ATOM 1525 O LEU B 71 10.880 -3.946 -0.406 1.00 0.00 O ATOM 1526 CB LEU B 71 9.194 -5.502 -2.433 1.00 0.00 C ATOM 1527 CG LEU B 71 8.075 -5.838 -3.428 1.00 0.00 C ATOM 1528 CD1 LEU B 71 6.971 -6.637 -2.751 1.00 0.00 C ATOM 1529 CD2 LEU B 71 7.513 -4.573 -4.059 1.00 0.00 C ATOM 0 H LEU B 71 8.449 -3.123 -2.413 1.00 0.00 H new ATOM 0 HA LEU B 71 7.950 -5.339 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU B 71 9.935 -4.886 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU B 71 9.692 -6.429 -2.148 1.00 0.00 H new ATOM 0 HG LEU B 71 8.502 -6.452 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU B 71 6.189 -6.863 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU B 71 7.383 -7.567 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU B 71 6.549 -6.054 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU B 71 6.722 -4.837 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU B 71 7.107 -3.927 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU B 71 8.307 -4.047 -4.589 1.00 0.00 H new ATOM 1541 N ARG B 72 9.852 -5.470 0.896 1.00 0.00 N ATOM 1542 CA ARG B 72 10.913 -5.490 1.899 1.00 0.00 C ATOM 1543 C ARG B 72 12.240 -5.907 1.270 1.00 0.00 C ATOM 1544 O ARG B 72 12.433 -7.076 0.930 1.00 0.00 O ATOM 1545 CB ARG B 72 10.546 -6.451 3.033 1.00 0.00 C ATOM 1546 CG ARG B 72 11.612 -6.570 4.109 1.00 0.00 C ATOM 1547 CD ARG B 72 11.194 -7.539 5.204 1.00 0.00 C ATOM 1548 NE ARG B 72 12.236 -7.713 6.215 1.00 0.00 N ATOM 1549 CZ ARG B 72 12.680 -6.734 7.000 1.00 0.00 C ATOM 1550 NH1 ARG B 72 12.166 -5.514 6.904 1.00 0.00 N ATOM 1551 NH2 ARG B 72 13.636 -6.977 7.886 1.00 0.00 N ATOM 0 H ARG B 72 9.070 -6.093 1.097 1.00 0.00 H new ATOM 0 HA ARG B 72 11.023 -4.484 2.305 1.00 0.00 H new ATOM 0 HB2 ARG B 72 9.616 -6.117 3.492 1.00 0.00 H new ATOM 0 HB3 ARG B 72 10.357 -7.439 2.612 1.00 0.00 H new ATOM 0 HG2 ARG B 72 12.547 -6.907 3.661 1.00 0.00 H new ATOM 0 HG3 ARG B 72 11.803 -5.589 4.544 1.00 0.00 H new ATOM 0 HD2 ARG B 72 10.284 -7.175 5.681 1.00 0.00 H new ATOM 0 HD3 ARG B 72 10.956 -8.506 4.760 1.00 0.00 H new ATOM 0 HE ARG B 72 12.647 -8.640 6.325 1.00 0.00 H new ATOM 0 HH11 ARG B 72 11.428 -5.324 6.227 1.00 0.00 H new ATOM 0 HH12 ARG B 72 12.509 -4.767 7.508 1.00 0.00 H new ATOM 0 HH21 ARG B 72 14.031 -7.914 7.966 1.00 0.00 H new ATOM 0 HH22 ARG B 72 13.976 -6.227 8.488 1.00 0.00 H new