USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=23 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 Set 1.1: B 19 SER OG : rot 180:sc= 1.03 USER MOD Set 1.2: B 57 SER OG : rot -27:sc= 1.2 USER MOD Set 2.1: B 27 LYS NZ :NH3+ -167:sc= -2.49 (180deg=-2.56!) USER MOD Set 2.2: B 41 GLN : amide:sc= -1.02 X(o=-3.5,f=-3.5) USER MOD Single : A 265 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0606) USER MOD Single : A 270 SER OG : rot 50:sc= -0.833 USER MOD Single : A 272 LYS NZ :NH3+ -169:sc= -0.0211 (180deg=-0.187) USER MOD Single : B 1 MET CE :methyl -141:sc= -0.163 (180deg=-1.06) USER MOD Single : B 1 MET N :NH3+ 141:sc= -0.052 (180deg=-0.36) USER MOD Single : B 2 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.29) USER MOD Single : B 6 LYS NZ :NH3+ 169:sc= -1.05 (180deg=-1.13) USER MOD Single : B 7 THR OG1 : rot 179:sc= -0.356 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 27:sc= 0.151 USER MOD Single : B 14 THR OG1 : rot -11:sc= 0.854 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= -2.03! K(o=-2!,f=-1.3) USER MOD Single : B 28 SER OG : rot -32:sc= 1.14 USER MOD Single : B 29 LYS NZ :NH3+ -142:sc= 0.923 (180deg=-0.948!) USER MOD Single : B 31 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.013) USER MOD Single : B 33 LYS NZ :NH3+ -133:sc= 0.347 (180deg=-0.429) USER MOD Single : B 40 GLN : amide:sc= -0.834 K(o=-0.83,f=-2.9!) USER MOD Single : B 48 LYS NZ :NH3+ -166:sc= -0.0429 (180deg=-0.276) USER MOD Single : B 49 GLN : amide:sc= -5.65! K(o=-5.6!,f=-2.3) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot -30:sc= 0.369 USER MOD Single : B 60 ASN : amide:sc= -2.69! K(o=-2.7!,f=-0.42) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 78:sc= -0.569 USER MOD Single : B 66 THR OG1 : rot 40:sc= 0.351 USER MOD Single : B 68 HIS : no HE2:sc= -2.79! X(o=-2.8!,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 259 15.403 2.021 -2.750 1.00 0.00 N ATOM 66 CA GLU A 259 14.008 2.044 -3.168 1.00 0.00 C ATOM 67 C GLU A 259 13.465 0.633 -3.376 1.00 0.00 C ATOM 68 O GLU A 259 12.408 0.281 -2.852 1.00 0.00 O ATOM 69 CB GLU A 259 13.865 2.849 -4.460 1.00 0.00 C ATOM 70 CG GLU A 259 12.446 2.892 -4.997 1.00 0.00 C ATOM 71 CD GLU A 259 12.343 3.640 -6.311 1.00 0.00 C ATOM 72 OE1 GLU A 259 13.010 3.228 -7.283 1.00 0.00 O ATOM 73 OE2 GLU A 259 11.594 4.637 -6.370 1.00 0.00 O ATOM 0 HA GLU A 259 13.428 2.516 -2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 259 14.208 3.868 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 259 14.519 2.420 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 259 12.082 1.874 -5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 259 11.797 3.367 -4.261 1.00 0.00 H new ATOM 80 N GLU A 260 14.189 -0.167 -4.152 1.00 0.00 N ATOM 81 CA GLU A 260 13.775 -1.536 -4.439 1.00 0.00 C ATOM 82 C GLU A 260 13.724 -2.380 -3.169 1.00 0.00 C ATOM 83 O GLU A 260 12.807 -3.176 -2.984 1.00 0.00 O ATOM 84 CB GLU A 260 14.722 -2.178 -5.456 1.00 0.00 C ATOM 85 CG GLU A 260 14.356 -3.612 -5.813 1.00 0.00 C ATOM 86 CD GLU A 260 13.004 -3.729 -6.495 1.00 0.00 C ATOM 87 OE1 GLU A 260 12.370 -2.683 -6.752 1.00 0.00 O ATOM 88 OE2 GLU A 260 12.581 -4.869 -6.778 1.00 0.00 O ATOM 0 H GLU A 260 15.066 0.109 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 260 12.771 -1.497 -4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 260 14.727 -1.577 -6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 260 15.736 -2.160 -5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 260 15.124 -4.024 -6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 260 14.352 -4.216 -4.906 1.00 0.00 H new ATOM 95 N GLU A 261 14.716 -2.206 -2.301 1.00 0.00 N ATOM 96 CA GLU A 261 14.783 -2.960 -1.053 1.00 0.00 C ATOM 97 C GLU A 261 13.524 -2.752 -0.216 1.00 0.00 C ATOM 98 O GLU A 261 12.977 -3.701 0.343 1.00 0.00 O ATOM 99 CB GLU A 261 16.018 -2.548 -0.248 1.00 0.00 C ATOM 100 CG GLU A 261 16.192 -3.328 1.046 1.00 0.00 C ATOM 101 CD GLU A 261 17.421 -2.900 1.825 1.00 0.00 C ATOM 102 OE1 GLU A 261 18.135 -1.988 1.356 1.00 0.00 O ATOM 103 OE2 GLU A 261 17.669 -3.477 2.904 1.00 0.00 O ATOM 0 H GLU A 261 15.485 -1.550 -2.439 1.00 0.00 H new ATOM 0 HA GLU A 261 14.857 -4.018 -1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 261 16.906 -2.684 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 261 15.951 -1.485 -0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 261 15.307 -3.194 1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 261 16.263 -4.391 0.818 1.00 0.00 H new ATOM 110 N LEU A 262 13.071 -1.505 -0.134 1.00 0.00 N ATOM 111 CA LEU A 262 11.876 -1.172 0.635 1.00 0.00 C ATOM 112 C LEU A 262 10.626 -1.764 -0.011 1.00 0.00 C ATOM 113 O LEU A 262 9.803 -2.386 0.665 1.00 0.00 O ATOM 114 CB LEU A 262 11.739 0.346 0.764 1.00 0.00 C ATOM 115 CG LEU A 262 12.842 1.026 1.577 1.00 0.00 C ATOM 116 CD1 LEU A 262 12.702 2.539 1.504 1.00 0.00 C ATOM 117 CD2 LEU A 262 12.800 0.552 3.024 1.00 0.00 C ATOM 0 H LEU A 262 13.513 -0.708 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 262 11.979 -1.605 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 262 11.724 0.781 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 262 10.777 0.571 1.224 1.00 0.00 H new ATOM 0 HG LEU A 262 13.807 0.752 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 262 13.495 3.006 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 262 12.778 2.862 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 262 11.733 2.835 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 262 13.590 1.044 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 262 11.832 0.800 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 262 12.947 -0.527 3.058 1.00 0.00 H new ATOM 129 N ILE A 263 10.493 -1.575 -1.321 1.00 0.00 N ATOM 130 CA ILE A 263 9.346 -2.100 -2.054 1.00 0.00 C ATOM 131 C ILE A 263 9.234 -3.612 -1.880 1.00 0.00 C ATOM 132 O ILE A 263 8.192 -4.121 -1.464 1.00 0.00 O ATOM 133 CB ILE A 263 9.438 -1.759 -3.556 1.00 0.00 C ATOM 134 CG1 ILE A 263 9.099 -0.286 -3.797 1.00 0.00 C ATOM 135 CG2 ILE A 263 8.527 -2.665 -4.376 1.00 0.00 C ATOM 136 CD1 ILE A 263 9.227 0.140 -5.244 1.00 0.00 C ATOM 0 H ILE A 263 11.163 -1.064 -1.895 1.00 0.00 H new ATOM 0 HA ILE A 263 8.455 -1.627 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 263 10.464 -1.931 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 263 8.079 -0.098 -3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 263 9.756 0.333 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 263 8.610 -2.405 -5.431 1.00 0.00 H new ATOM 0 HG22 ILE A 263 8.824 -3.704 -4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 263 7.495 -2.535 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 263 8.971 1.195 -5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 263 10.252 -0.015 -5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 263 8.550 -0.453 -5.859 1.00 0.00 H new ATOM 148 N ARG A 264 10.313 -4.326 -2.192 1.00 0.00 N ATOM 149 CA ARG A 264 10.325 -5.777 -2.059 1.00 0.00 C ATOM 150 C ARG A 264 10.104 -6.179 -0.610 1.00 0.00 C ATOM 151 O ARG A 264 9.478 -7.199 -0.330 1.00 0.00 O ATOM 152 CB ARG A 264 11.636 -6.368 -2.573 1.00 0.00 C ATOM 153 CG ARG A 264 12.855 -5.954 -1.764 1.00 0.00 C ATOM 154 CD ARG A 264 14.138 -6.579 -2.298 1.00 0.00 C ATOM 155 NE ARG A 264 14.144 -8.039 -2.182 1.00 0.00 N ATOM 156 CZ ARG A 264 13.581 -8.863 -3.065 1.00 0.00 C ATOM 157 NH1 ARG A 264 13.018 -8.385 -4.168 1.00 0.00 N ATOM 158 NH2 ARG A 264 13.598 -10.172 -2.852 1.00 0.00 N ATOM 0 H ARG A 264 11.185 -3.924 -2.537 1.00 0.00 H new ATOM 0 HA ARG A 264 9.511 -6.174 -2.666 1.00 0.00 H new ATOM 0 HB2 ARG A 264 11.560 -7.455 -2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 264 11.779 -6.064 -3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 264 12.948 -4.868 -1.779 1.00 0.00 H new ATOM 0 HG3 ARG A 264 12.715 -6.247 -0.723 1.00 0.00 H new ATOM 0 HD2 ARG A 264 14.265 -6.301 -3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 264 14.990 -6.171 -1.754 1.00 0.00 H new ATOM 0 HE ARG A 264 14.609 -8.452 -1.373 1.00 0.00 H new ATOM 0 HH11 ARG A 264 13.014 -7.380 -4.345 1.00 0.00 H new ATOM 0 HH12 ARG A 264 12.589 -9.022 -4.839 1.00 0.00 H new ATOM 0 HH21 ARG A 264 14.042 -10.547 -2.013 1.00 0.00 H new ATOM 0 HH22 ARG A 264 13.167 -10.804 -3.527 1.00 0.00 H new ATOM 172 N LYS A 265 10.608 -5.361 0.311 1.00 0.00 N ATOM 173 CA LYS A 265 10.441 -5.630 1.732 1.00 0.00 C ATOM 174 C LYS A 265 8.960 -5.792 2.028 1.00 0.00 C ATOM 175 O LYS A 265 8.535 -6.766 2.654 1.00 0.00 O ATOM 176 CB LYS A 265 11.022 -4.486 2.562 1.00 0.00 C ATOM 177 CG LYS A 265 10.953 -4.719 4.063 1.00 0.00 C ATOM 178 CD LYS A 265 11.529 -3.541 4.837 1.00 0.00 C ATOM 179 CE LYS A 265 12.999 -3.321 4.511 1.00 0.00 C ATOM 180 NZ LYS A 265 13.565 -2.159 5.249 1.00 0.00 N ATOM 0 H LYS A 265 11.132 -4.512 0.098 1.00 0.00 H new ATOM 0 HA LYS A 265 10.972 -6.545 1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 265 12.062 -4.334 2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 265 10.487 -3.567 2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 265 9.917 -4.879 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 265 11.501 -5.626 4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 265 10.965 -2.639 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 265 11.415 -3.717 5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 265 13.564 -4.219 4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 265 13.113 -3.160 3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 14.542 -1.992 4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 12.991 -1.313 5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 13.558 -2.359 6.270 1.00 0.00 H new ATOM 194 N ALA A 266 8.176 -4.841 1.533 1.00 0.00 N ATOM 195 CA ALA A 266 6.735 -4.879 1.699 1.00 0.00 C ATOM 196 C ALA A 266 6.166 -6.077 0.947 1.00 0.00 C ATOM 197 O ALA A 266 5.190 -6.690 1.379 1.00 0.00 O ATOM 198 CB ALA A 266 6.108 -3.580 1.209 1.00 0.00 C ATOM 0 H ALA A 266 8.519 -4.034 1.013 1.00 0.00 H new ATOM 0 HA ALA A 266 6.498 -4.985 2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 266 5.027 -3.625 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 266 6.509 -2.744 1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 266 6.339 -3.440 0.153 1.00 0.00 H new ATOM 204 N ILE A 267 6.800 -6.411 -0.179 1.00 0.00 N ATOM 205 CA ILE A 267 6.376 -7.544 -0.995 1.00 0.00 C ATOM 206 C ILE A 267 6.421 -8.840 -0.190 1.00 0.00 C ATOM 207 O ILE A 267 5.464 -9.615 -0.190 1.00 0.00 O ATOM 208 CB ILE A 267 7.258 -7.704 -2.254 1.00 0.00 C ATOM 209 CG1 ILE A 267 7.139 -6.473 -3.159 1.00 0.00 C ATOM 210 CG2 ILE A 267 6.881 -8.969 -3.017 1.00 0.00 C ATOM 211 CD1 ILE A 267 5.743 -6.237 -3.695 1.00 0.00 C ATOM 0 H ILE A 267 7.610 -5.910 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 267 5.352 -7.341 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 267 8.296 -7.793 -1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 267 7.457 -5.592 -2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 267 7.826 -6.584 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 267 7.513 -9.063 -3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 267 7.023 -9.838 -2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 267 5.836 -8.911 -3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 267 5.741 -5.348 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 267 5.428 -7.100 -4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 267 5.053 -6.093 -2.863 1.00 0.00 H new ATOM 223 N GLU A 268 7.538 -9.064 0.498 1.00 0.00 N ATOM 224 CA GLU A 268 7.709 -10.261 1.312 1.00 0.00 C ATOM 225 C GLU A 268 6.713 -10.277 2.465 1.00 0.00 C ATOM 226 O GLU A 268 6.069 -11.292 2.725 1.00 0.00 O ATOM 227 CB GLU A 268 9.136 -10.340 1.856 1.00 0.00 C ATOM 228 CG GLU A 268 10.201 -10.408 0.773 1.00 0.00 C ATOM 229 CD GLU A 268 11.605 -10.489 1.341 1.00 0.00 C ATOM 230 OE1 GLU A 268 12.001 -9.564 2.081 1.00 0.00 O ATOM 231 OE2 GLU A 268 12.309 -11.478 1.045 1.00 0.00 O ATOM 0 H GLU A 268 8.338 -8.431 0.507 1.00 0.00 H new ATOM 0 HA GLU A 268 7.524 -11.129 0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 268 9.324 -9.469 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 268 9.224 -11.219 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 268 10.017 -11.278 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 268 10.121 -9.528 0.134 1.00 0.00 H new ATOM 238 N LEU A 269 6.590 -9.142 3.150 1.00 0.00 N ATOM 239 CA LEU A 269 5.666 -9.027 4.272 1.00 0.00 C ATOM 240 C LEU A 269 4.248 -9.385 3.839 1.00 0.00 C ATOM 241 O LEU A 269 3.503 -10.026 4.581 1.00 0.00 O ATOM 242 CB LEU A 269 5.692 -7.607 4.843 1.00 0.00 C ATOM 243 CG LEU A 269 7.058 -7.128 5.342 1.00 0.00 C ATOM 244 CD1 LEU A 269 6.972 -5.690 5.833 1.00 0.00 C ATOM 245 CD2 LEU A 269 7.573 -8.038 6.447 1.00 0.00 C ATOM 0 H LEU A 269 7.117 -8.293 2.947 1.00 0.00 H new ATOM 0 HA LEU A 269 5.983 -9.726 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 269 5.342 -6.918 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 269 4.982 -7.552 5.668 1.00 0.00 H new ATOM 0 HG LEU A 269 7.760 -7.167 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 269 7.952 -5.366 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 269 6.648 -5.045 5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 269 6.255 -5.627 6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 269 8.545 -7.681 6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 269 6.871 -8.032 7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 269 7.673 -9.054 6.065 1.00 0.00 H new ATOM 257 N SER A 270 3.886 -8.962 2.632 1.00 0.00 N ATOM 258 CA SER A 270 2.560 -9.230 2.090 1.00 0.00 C ATOM 259 C SER A 270 2.354 -10.719 1.843 1.00 0.00 C ATOM 260 O SER A 270 1.346 -11.292 2.257 1.00 0.00 O ATOM 261 CB SER A 270 2.359 -8.462 0.786 1.00 0.00 C ATOM 262 OG SER A 270 1.059 -8.675 0.273 1.00 0.00 O ATOM 0 H SER A 270 4.495 -8.431 2.010 1.00 0.00 H new ATOM 0 HA SER A 270 1.827 -8.899 2.825 1.00 0.00 H new ATOM 0 HB2 SER A 270 2.517 -7.397 0.958 1.00 0.00 H new ATOM 0 HB3 SER A 270 3.101 -8.780 0.053 1.00 0.00 H new ATOM 0 HG SER A 270 0.399 -8.521 0.981 1.00 0.00 H new ATOM 268 N LEU A 271 3.314 -11.342 1.164 1.00 0.00 N ATOM 269 CA LEU A 271 3.232 -12.766 0.860 1.00 0.00 C ATOM 270 C LEU A 271 3.026 -13.575 2.134 1.00 0.00 C ATOM 271 O LEU A 271 2.212 -14.498 2.172 1.00 0.00 O ATOM 272 CB LEU A 271 4.499 -13.235 0.141 1.00 0.00 C ATOM 273 CG LEU A 271 4.756 -12.583 -1.220 1.00 0.00 C ATOM 274 CD1 LEU A 271 6.042 -13.117 -1.832 1.00 0.00 C ATOM 275 CD2 LEU A 271 3.580 -12.820 -2.158 1.00 0.00 C ATOM 0 H LEU A 271 4.156 -10.883 0.815 1.00 0.00 H new ATOM 0 HA LEU A 271 2.377 -12.925 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 271 5.356 -13.042 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 271 4.441 -14.315 0.003 1.00 0.00 H new ATOM 0 HG LEU A 271 4.865 -11.509 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 271 6.209 -12.643 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 271 6.879 -12.896 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 271 5.961 -14.196 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 271 3.781 -12.349 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 271 3.439 -13.891 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 271 2.677 -12.389 -1.725 1.00 0.00 H new ATOM 287 N LYS A 272 3.762 -13.215 3.180 1.00 0.00 N ATOM 288 CA LYS A 272 3.652 -13.898 4.461 1.00 0.00 C ATOM 289 C LYS A 272 2.247 -13.734 5.030 1.00 0.00 C ATOM 290 O LYS A 272 1.682 -14.669 5.597 1.00 0.00 O ATOM 291 CB LYS A 272 4.686 -13.353 5.448 1.00 0.00 C ATOM 292 CG LYS A 272 6.127 -13.535 4.990 1.00 0.00 C ATOM 293 CD LYS A 272 6.473 -15.003 4.778 1.00 0.00 C ATOM 294 CE LYS A 272 6.299 -15.810 6.055 1.00 0.00 C ATOM 295 NZ LYS A 272 7.158 -15.296 7.157 1.00 0.00 N ATOM 0 H LYS A 272 4.441 -12.454 3.165 1.00 0.00 H new ATOM 0 HA LYS A 272 3.845 -14.959 4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 272 4.497 -12.292 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 272 4.554 -13.850 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 272 6.285 -12.987 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 272 6.801 -13.106 5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 272 5.837 -15.418 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 272 7.503 -15.088 4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 272 5.254 -15.779 6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 272 6.543 -16.854 5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 7.155 -15.975 7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 8.131 -15.173 6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 6.790 -14.381 7.486 1.00 0.00 H new ATOM 396 N MET B 1 -15.926 0.408 3.229 1.00 0.00 N ATOM 397 CA MET B 1 -15.020 -0.606 3.830 1.00 0.00 C ATOM 398 C MET B 1 -13.747 0.040 4.368 1.00 0.00 C ATOM 399 O MET B 1 -13.156 0.909 3.723 1.00 0.00 O ATOM 400 CB MET B 1 -14.674 -1.648 2.764 1.00 0.00 C ATOM 401 CG MET B 1 -13.996 -1.061 1.537 1.00 0.00 C ATOM 402 SD MET B 1 -13.611 -2.306 0.290 1.00 0.00 S ATOM 403 CE MET B 1 -12.506 -3.374 1.209 1.00 0.00 C ATOM 0 H1 MET B 1 -16.367 0.016 2.373 1.00 0.00 H new ATOM 0 H2 MET B 1 -16.666 0.662 3.914 1.00 0.00 H new ATOM 0 H3 MET B 1 -15.380 1.257 2.979 1.00 0.00 H new ATOM 0 HA MET B 1 -15.526 -1.082 4.670 1.00 0.00 H new ATOM 0 HB2 MET B 1 -14.021 -2.402 3.204 1.00 0.00 H new ATOM 0 HB3 MET B 1 -15.587 -2.157 2.456 1.00 0.00 H new ATOM 0 HG2 MET B 1 -14.643 -0.301 1.098 1.00 0.00 H new ATOM 0 HG3 MET B 1 -13.077 -0.560 1.840 1.00 0.00 H new ATOM 0 HE1 MET B 1 -11.698 -3.708 0.558 1.00 0.00 H new ATOM 0 HE2 MET B 1 -12.089 -2.826 2.054 1.00 0.00 H new ATOM 0 HE3 MET B 1 -13.058 -4.240 1.575 1.00 0.00 H new ATOM 415 N GLN B 2 -13.331 -0.386 5.556 1.00 0.00 N ATOM 416 CA GLN B 2 -12.128 0.153 6.178 1.00 0.00 C ATOM 417 C GLN B 2 -10.954 -0.810 6.026 1.00 0.00 C ATOM 418 O GLN B 2 -11.102 -2.024 6.183 1.00 0.00 O ATOM 419 CB GLN B 2 -12.376 0.461 7.657 1.00 0.00 C ATOM 420 CG GLN B 2 -12.701 -0.760 8.500 1.00 0.00 C ATOM 421 CD GLN B 2 -13.004 -0.400 9.942 1.00 0.00 C ATOM 422 OE1 GLN B 2 -13.977 0.298 10.227 1.00 0.00 O ATOM 423 NE2 GLN B 2 -12.165 -0.868 10.859 1.00 0.00 N ATOM 0 H GLN B 2 -13.808 -1.101 6.106 1.00 0.00 H new ATOM 0 HA GLN B 2 -11.875 1.082 5.667 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -11.492 0.948 8.069 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -13.198 1.173 7.736 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -13.558 -1.278 8.070 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -11.861 -1.454 8.470 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -11.371 -1.443 10.578 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -12.315 -0.652 11.845 1.00 0.00 H new ATOM 432 N ILE B 3 -9.787 -0.254 5.718 1.00 0.00 N ATOM 433 CA ILE B 3 -8.578 -1.047 5.540 1.00 0.00 C ATOM 434 C ILE B 3 -7.378 -0.343 6.161 1.00 0.00 C ATOM 435 O ILE B 3 -7.228 0.873 6.037 1.00 0.00 O ATOM 436 CB ILE B 3 -8.302 -1.318 4.048 1.00 0.00 C ATOM 437 CG1 ILE B 3 -8.327 -0.007 3.257 1.00 0.00 C ATOM 438 CG2 ILE B 3 -9.320 -2.305 3.493 1.00 0.00 C ATOM 439 CD1 ILE B 3 -8.102 -0.187 1.770 1.00 0.00 C ATOM 0 H ILE B 3 -9.654 0.749 5.586 1.00 0.00 H new ATOM 0 HA ILE B 3 -8.735 -2.001 6.043 1.00 0.00 H new ATOM 0 HB ILE B 3 -7.310 -1.759 3.948 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -9.288 0.483 3.413 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -7.561 0.660 3.653 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -9.113 -2.487 2.438 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -9.254 -3.244 4.043 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -10.323 -1.892 3.600 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -8.134 0.785 1.277 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -7.128 -0.648 1.602 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -8.882 -0.828 1.359 1.00 0.00 H new ATOM 451 N PHE B 4 -6.529 -1.111 6.837 1.00 0.00 N ATOM 452 CA PHE B 4 -5.350 -0.547 7.483 1.00 0.00 C ATOM 453 C PHE B 4 -4.306 -0.113 6.467 1.00 0.00 C ATOM 454 O PHE B 4 -4.455 -0.338 5.266 1.00 0.00 O ATOM 455 CB PHE B 4 -4.734 -1.533 8.476 1.00 0.00 C ATOM 456 CG PHE B 4 -5.252 -1.370 9.876 1.00 0.00 C ATOM 457 CD1 PHE B 4 -6.470 -1.913 10.254 1.00 0.00 C ATOM 458 CD2 PHE B 4 -4.514 -0.667 10.815 1.00 0.00 C ATOM 459 CE1 PHE B 4 -6.940 -1.758 11.545 1.00 0.00 C ATOM 460 CE2 PHE B 4 -4.979 -0.507 12.105 1.00 0.00 C ATOM 461 CZ PHE B 4 -6.193 -1.054 12.472 1.00 0.00 C ATOM 0 H PHE B 4 -6.635 -2.119 6.951 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.682 0.336 8.029 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -4.934 -2.550 8.138 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -3.652 -1.405 8.480 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -7.057 -2.462 9.533 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -3.563 -0.239 10.534 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -7.890 -2.186 11.829 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -4.394 0.045 12.826 1.00 0.00 H new ATOM 0 HZ PHE B 4 -6.558 -0.932 13.481 1.00 0.00 H new ATOM 471 N VAL B 5 -3.253 0.523 6.969 1.00 0.00 N ATOM 472 CA VAL B 5 -2.172 1.011 6.127 1.00 0.00 C ATOM 473 C VAL B 5 -0.832 0.822 6.834 1.00 0.00 C ATOM 474 O VAL B 5 -0.510 1.546 7.777 1.00 0.00 O ATOM 475 CB VAL B 5 -2.366 2.507 5.796 1.00 0.00 C ATOM 476 CG1 VAL B 5 -1.433 2.946 4.684 1.00 0.00 C ATOM 477 CG2 VAL B 5 -3.811 2.794 5.419 1.00 0.00 C ATOM 0 H VAL B 5 -3.127 0.713 7.963 1.00 0.00 H new ATOM 0 HA VAL B 5 -2.182 0.440 5.199 1.00 0.00 H new ATOM 0 HB VAL B 5 -2.122 3.079 6.691 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -1.592 4.003 4.472 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -0.400 2.789 4.993 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -1.636 2.362 3.787 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -3.924 3.854 5.190 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -4.083 2.203 4.545 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -4.463 2.531 6.252 1.00 0.00 H new ATOM 487 N LYS B 6 -0.064 -0.167 6.382 1.00 0.00 N ATOM 488 CA LYS B 6 1.236 -0.469 6.977 1.00 0.00 C ATOM 489 C LYS B 6 2.372 0.209 6.215 1.00 0.00 C ATOM 490 O LYS B 6 2.426 0.159 4.986 1.00 0.00 O ATOM 491 CB LYS B 6 1.459 -1.982 7.011 1.00 0.00 C ATOM 492 CG LYS B 6 2.791 -2.388 7.619 1.00 0.00 C ATOM 493 CD LYS B 6 2.958 -3.898 7.634 1.00 0.00 C ATOM 494 CE LYS B 6 4.298 -4.305 8.222 1.00 0.00 C ATOM 495 NZ LYS B 6 4.477 -5.783 8.225 1.00 0.00 N ATOM 0 H LYS B 6 -0.320 -0.774 5.604 1.00 0.00 H new ATOM 0 HA LYS B 6 1.236 -0.079 7.995 1.00 0.00 H new ATOM 0 HB2 LYS B 6 0.653 -2.447 7.579 1.00 0.00 H new ATOM 0 HB3 LYS B 6 1.399 -2.372 5.995 1.00 0.00 H new ATOM 0 HG2 LYS B 6 3.604 -1.936 7.051 1.00 0.00 H new ATOM 0 HG3 LYS B 6 2.860 -2.003 8.636 1.00 0.00 H new ATOM 0 HD2 LYS B 6 2.153 -4.348 8.215 1.00 0.00 H new ATOM 0 HD3 LYS B 6 2.873 -4.284 6.618 1.00 0.00 H new ATOM 0 HE2 LYS B 6 5.102 -3.843 7.648 1.00 0.00 H new ATOM 0 HE3 LYS B 6 4.377 -3.928 9.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 5.465 -6.013 8.456 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 3.847 -6.208 8.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 4.244 -6.163 7.285 1.00 0.00 H new ATOM 509 N THR B 7 3.279 0.839 6.957 1.00 0.00 N ATOM 510 CA THR B 7 4.419 1.525 6.357 1.00 0.00 C ATOM 511 C THR B 7 5.611 0.580 6.169 1.00 0.00 C ATOM 512 O THR B 7 5.436 -0.628 6.008 1.00 0.00 O ATOM 513 CB THR B 7 4.847 2.736 7.209 1.00 0.00 C ATOM 514 OG1 THR B 7 5.181 2.310 8.536 1.00 0.00 O ATOM 515 CG2 THR B 7 3.734 3.771 7.266 1.00 0.00 C ATOM 0 H THR B 7 3.246 0.888 7.975 1.00 0.00 H new ATOM 0 HA THR B 7 4.099 1.876 5.376 1.00 0.00 H new ATOM 0 HB THR B 7 5.723 3.190 6.746 1.00 0.00 H new ATOM 0 HG1 THR B 7 5.468 3.083 9.065 1.00 0.00 H new ATOM 0 HG21 THR B 7 4.056 4.618 7.872 1.00 0.00 H new ATOM 0 HG22 THR B 7 3.503 4.113 6.257 1.00 0.00 H new ATOM 0 HG23 THR B 7 2.844 3.324 7.710 1.00 0.00 H new ATOM 563 N LYS B 11 4.232 0.247 10.816 1.00 0.00 N ATOM 564 CA LYS B 11 3.185 1.073 11.402 1.00 0.00 C ATOM 565 C LYS B 11 1.870 0.887 10.654 1.00 0.00 C ATOM 566 O LYS B 11 1.761 1.232 9.476 1.00 0.00 O ATOM 567 CB LYS B 11 3.597 2.547 11.384 1.00 0.00 C ATOM 568 CG LYS B 11 2.575 3.475 12.021 1.00 0.00 C ATOM 569 CD LYS B 11 2.411 3.194 13.506 1.00 0.00 C ATOM 570 CE LYS B 11 1.375 4.112 14.134 1.00 0.00 C ATOM 571 NZ LYS B 11 1.185 3.827 15.583 1.00 0.00 N ATOM 0 HA LYS B 11 3.042 0.760 12.436 1.00 0.00 H new ATOM 0 HB2 LYS B 11 4.548 2.656 11.905 1.00 0.00 H new ATOM 0 HB3 LYS B 11 3.762 2.856 10.352 1.00 0.00 H new ATOM 0 HG2 LYS B 11 2.884 4.510 11.878 1.00 0.00 H new ATOM 0 HG3 LYS B 11 1.614 3.358 11.520 1.00 0.00 H new ATOM 0 HD2 LYS B 11 2.114 2.155 13.650 1.00 0.00 H new ATOM 0 HD3 LYS B 11 3.368 3.325 14.010 1.00 0.00 H new ATOM 0 HE2 LYS B 11 1.684 5.149 14.006 1.00 0.00 H new ATOM 0 HE3 LYS B 11 0.424 3.996 13.614 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 0.471 4.474 15.973 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 0.865 2.845 15.705 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 2.086 3.962 16.085 1.00 0.00 H new ATOM 585 N THR B 12 0.876 0.343 11.347 1.00 0.00 N ATOM 586 CA THR B 12 -0.434 0.112 10.760 1.00 0.00 C ATOM 587 C THR B 12 -1.417 1.196 11.182 1.00 0.00 C ATOM 588 O THR B 12 -1.513 1.530 12.364 1.00 0.00 O ATOM 589 CB THR B 12 -0.995 -1.259 11.174 1.00 0.00 C ATOM 590 OG1 THR B 12 -1.081 -1.345 12.601 1.00 0.00 O ATOM 591 CG2 THR B 12 -0.122 -2.387 10.644 1.00 0.00 C ATOM 0 H THR B 12 0.956 0.053 12.322 1.00 0.00 H new ATOM 0 HA THR B 12 -0.310 0.136 9.677 1.00 0.00 H new ATOM 0 HB THR B 12 -1.991 -1.361 10.744 1.00 0.00 H new ATOM 0 HG1 THR B 12 -1.180 -0.446 12.978 1.00 0.00 H new ATOM 0 HG21 THR B 12 -0.540 -3.346 10.951 1.00 0.00 H new ATOM 0 HG22 THR B 12 -0.086 -2.338 9.556 1.00 0.00 H new ATOM 0 HG23 THR B 12 0.886 -2.286 11.046 1.00 0.00 H new ATOM 599 N ILE B 13 -2.146 1.743 10.216 1.00 0.00 N ATOM 600 CA ILE B 13 -3.118 2.789 10.504 1.00 0.00 C ATOM 601 C ILE B 13 -4.410 2.573 9.726 1.00 0.00 C ATOM 602 O ILE B 13 -4.390 2.354 8.516 1.00 0.00 O ATOM 603 CB ILE B 13 -2.560 4.185 10.168 1.00 0.00 C ATOM 604 CG1 ILE B 13 -1.303 4.465 10.997 1.00 0.00 C ATOM 605 CG2 ILE B 13 -3.620 5.249 10.416 1.00 0.00 C ATOM 606 CD1 ILE B 13 -0.664 5.804 10.698 1.00 0.00 C ATOM 0 H ILE B 13 -2.083 1.481 9.232 1.00 0.00 H new ATOM 0 HA ILE B 13 -3.327 2.736 11.572 1.00 0.00 H new ATOM 0 HB ILE B 13 -2.288 4.213 9.113 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -1.560 4.423 12.056 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -0.574 3.675 10.814 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -3.213 6.231 10.175 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -4.488 5.051 9.787 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -3.919 5.228 11.464 1.00 0.00 H new ATOM 0 HD11 ILE B 13 0.220 5.933 11.322 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -0.375 5.843 9.648 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -1.376 6.602 10.908 1.00 0.00 H new ATOM 618 N THR B 14 -5.533 2.644 10.431 1.00 0.00 N ATOM 619 CA THR B 14 -6.838 2.464 9.811 1.00 0.00 C ATOM 620 C THR B 14 -7.116 3.566 8.795 1.00 0.00 C ATOM 621 O THR B 14 -6.843 4.739 9.050 1.00 0.00 O ATOM 622 CB THR B 14 -7.963 2.460 10.865 1.00 0.00 C ATOM 623 OG1 THR B 14 -7.721 1.437 11.837 1.00 0.00 O ATOM 624 CG2 THR B 14 -9.320 2.232 10.214 1.00 0.00 C ATOM 0 H THR B 14 -5.565 2.825 11.434 1.00 0.00 H new ATOM 0 HA THR B 14 -6.820 1.499 9.304 1.00 0.00 H new ATOM 0 HB THR B 14 -7.971 3.434 11.354 1.00 0.00 H new ATOM 0 HG1 THR B 14 -7.002 0.851 11.523 1.00 0.00 H new ATOM 0 HG21 THR B 14 -10.096 2.234 10.980 1.00 0.00 H new ATOM 0 HG22 THR B 14 -9.517 3.028 9.496 1.00 0.00 H new ATOM 0 HG23 THR B 14 -9.320 1.271 9.700 1.00 0.00 H new ATOM 632 N LEU B 15 -7.669 3.186 7.649 1.00 0.00 N ATOM 633 CA LEU B 15 -7.993 4.150 6.607 1.00 0.00 C ATOM 634 C LEU B 15 -9.285 3.755 5.904 1.00 0.00 C ATOM 635 O LEU B 15 -9.345 2.757 5.184 1.00 0.00 O ATOM 636 CB LEU B 15 -6.820 4.280 5.614 1.00 0.00 C ATOM 637 CG LEU B 15 -6.978 5.341 4.511 1.00 0.00 C ATOM 638 CD1 LEU B 15 -7.965 4.888 3.446 1.00 0.00 C ATOM 639 CD2 LEU B 15 -7.411 6.674 5.106 1.00 0.00 C ATOM 0 H LEU B 15 -7.901 2.220 7.419 1.00 0.00 H new ATOM 0 HA LEU B 15 -8.150 5.128 7.062 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -5.916 4.506 6.179 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -6.665 3.312 5.138 1.00 0.00 H new ATOM 0 HG LEU B 15 -6.007 5.472 4.034 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -8.054 5.659 2.681 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.609 3.964 2.990 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.939 4.715 3.903 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -7.517 7.411 4.310 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.366 6.551 5.617 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -6.660 7.016 5.818 1.00 0.00 H new ATOM 651 N GLU B 16 -10.320 4.556 6.138 1.00 0.00 N ATOM 652 CA GLU B 16 -11.636 4.326 5.555 1.00 0.00 C ATOM 653 C GLU B 16 -11.647 4.678 4.073 1.00 0.00 C ATOM 654 O GLU B 16 -11.100 5.703 3.667 1.00 0.00 O ATOM 655 CB GLU B 16 -12.683 5.162 6.298 1.00 0.00 C ATOM 656 CG GLU B 16 -14.090 5.044 5.732 1.00 0.00 C ATOM 657 CD GLU B 16 -14.677 3.656 5.896 1.00 0.00 C ATOM 658 OE1 GLU B 16 -14.105 2.699 5.338 1.00 0.00 O ATOM 659 OE2 GLU B 16 -15.710 3.527 6.586 1.00 0.00 O ATOM 0 H GLU B 16 -10.270 5.381 6.736 1.00 0.00 H new ATOM 0 HA GLU B 16 -11.876 3.268 5.655 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.698 4.859 7.345 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.380 6.209 6.274 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -14.737 5.768 6.227 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -14.073 5.303 4.673 1.00 0.00 H new ATOM 666 N VAL B 17 -12.278 3.828 3.270 1.00 0.00 N ATOM 667 CA VAL B 17 -12.364 4.066 1.833 1.00 0.00 C ATOM 668 C VAL B 17 -13.390 3.148 1.173 1.00 0.00 C ATOM 669 O VAL B 17 -13.375 1.933 1.370 1.00 0.00 O ATOM 670 CB VAL B 17 -10.995 3.882 1.146 1.00 0.00 C ATOM 671 CG1 VAL B 17 -10.487 2.459 1.322 1.00 0.00 C ATOM 672 CG2 VAL B 17 -11.087 4.248 -0.327 1.00 0.00 C ATOM 0 H VAL B 17 -12.735 2.973 3.587 1.00 0.00 H new ATOM 0 HA VAL B 17 -12.685 5.100 1.708 1.00 0.00 H new ATOM 0 HB VAL B 17 -10.279 4.553 1.621 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -9.521 2.354 0.829 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -10.378 2.240 2.384 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -11.198 1.761 0.879 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -10.113 4.113 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -11.819 3.605 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -11.396 5.289 -0.425 1.00 0.00 H new ATOM 682 N GLU B 18 -14.280 3.743 0.385 1.00 0.00 N ATOM 683 CA GLU B 18 -15.317 2.990 -0.311 1.00 0.00 C ATOM 684 C GLU B 18 -14.714 2.103 -1.395 1.00 0.00 C ATOM 685 O GLU B 18 -13.763 2.493 -2.073 1.00 0.00 O ATOM 686 CB GLU B 18 -16.343 3.943 -0.927 1.00 0.00 C ATOM 687 CG GLU B 18 -17.087 4.790 0.096 1.00 0.00 C ATOM 688 CD GLU B 18 -17.907 3.960 1.066 1.00 0.00 C ATOM 689 OE1 GLU B 18 -17.311 3.171 1.830 1.00 0.00 O ATOM 690 OE2 GLU B 18 -19.149 4.097 1.061 1.00 0.00 O ATOM 0 H GLU B 18 -14.303 4.748 0.212 1.00 0.00 H new ATOM 0 HA GLU B 18 -15.816 2.351 0.418 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -15.835 4.603 -1.631 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -17.067 3.362 -1.499 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -16.369 5.389 0.656 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -17.745 5.486 -0.425 1.00 0.00 H new ATOM 697 N SER B 19 -15.273 0.907 -1.550 1.00 0.00 N ATOM 698 CA SER B 19 -14.795 -0.041 -2.550 1.00 0.00 C ATOM 699 C SER B 19 -14.829 0.578 -3.944 1.00 0.00 C ATOM 700 O SER B 19 -13.918 0.374 -4.747 1.00 0.00 O ATOM 701 CB SER B 19 -15.643 -1.313 -2.521 1.00 0.00 C ATOM 702 OG SER B 19 -15.180 -2.258 -3.471 1.00 0.00 O ATOM 0 H SER B 19 -16.059 0.571 -0.994 1.00 0.00 H new ATOM 0 HA SER B 19 -13.763 -0.296 -2.311 1.00 0.00 H new ATOM 0 HB2 SER B 19 -15.613 -1.751 -1.523 1.00 0.00 H new ATOM 0 HB3 SER B 19 -16.684 -1.064 -2.728 1.00 0.00 H new ATOM 0 HG SER B 19 -15.738 -3.062 -3.431 1.00 0.00 H new ATOM 708 N SER B 20 -15.886 1.336 -4.223 1.00 0.00 N ATOM 709 CA SER B 20 -16.042 1.990 -5.517 1.00 0.00 C ATOM 710 C SER B 20 -14.864 2.916 -5.804 1.00 0.00 C ATOM 711 O SER B 20 -14.378 2.986 -6.933 1.00 0.00 O ATOM 712 CB SER B 20 -17.351 2.780 -5.558 1.00 0.00 C ATOM 713 OG SER B 20 -18.467 1.932 -5.349 1.00 0.00 O ATOM 0 H SER B 20 -16.648 1.512 -3.568 1.00 0.00 H new ATOM 0 HA SER B 20 -16.069 1.218 -6.286 1.00 0.00 H new ATOM 0 HB2 SER B 20 -17.334 3.558 -4.795 1.00 0.00 H new ATOM 0 HB3 SER B 20 -17.447 3.281 -6.521 1.00 0.00 H new ATOM 0 HG SER B 20 -19.291 2.462 -5.378 1.00 0.00 H new ATOM 719 N ASP B 21 -14.411 3.625 -4.772 1.00 0.00 N ATOM 720 CA ASP B 21 -13.289 4.549 -4.908 1.00 0.00 C ATOM 721 C ASP B 21 -12.066 3.839 -5.481 1.00 0.00 C ATOM 722 O ASP B 21 -11.717 2.740 -5.050 1.00 0.00 O ATOM 723 CB ASP B 21 -12.945 5.166 -3.550 1.00 0.00 C ATOM 724 CG ASP B 21 -14.101 5.949 -2.956 1.00 0.00 C ATOM 725 OD1 ASP B 21 -15.169 6.016 -3.601 1.00 0.00 O ATOM 726 OD2 ASP B 21 -13.938 6.497 -1.846 1.00 0.00 O ATOM 0 H ASP B 21 -14.805 3.577 -3.832 1.00 0.00 H new ATOM 0 HA ASP B 21 -13.583 5.341 -5.597 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -12.653 4.375 -2.859 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -12.084 5.825 -3.662 1.00 0.00 H new ATOM 731 N THR B 22 -11.419 4.473 -6.456 1.00 0.00 N ATOM 732 CA THR B 22 -10.235 3.897 -7.088 1.00 0.00 C ATOM 733 C THR B 22 -9.020 3.996 -6.171 1.00 0.00 C ATOM 734 O THR B 22 -9.161 4.116 -4.954 1.00 0.00 O ATOM 735 CB THR B 22 -9.915 4.597 -8.423 1.00 0.00 C ATOM 736 OG1 THR B 22 -9.674 5.991 -8.199 1.00 0.00 O ATOM 737 CG2 THR B 22 -11.059 4.427 -9.412 1.00 0.00 C ATOM 0 H THR B 22 -11.694 5.383 -6.825 1.00 0.00 H new ATOM 0 HA THR B 22 -10.457 2.847 -7.280 1.00 0.00 H new ATOM 0 HB THR B 22 -9.021 4.137 -8.844 1.00 0.00 H new ATOM 0 HG1 THR B 22 -9.470 6.429 -9.052 1.00 0.00 H new ATOM 0 HG21 THR B 22 -10.810 4.930 -10.347 1.00 0.00 H new ATOM 0 HG22 THR B 22 -11.221 3.366 -9.602 1.00 0.00 H new ATOM 0 HG23 THR B 22 -11.967 4.863 -8.996 1.00 0.00 H new ATOM 745 N ILE B 23 -7.827 3.952 -6.760 1.00 0.00 N ATOM 746 CA ILE B 23 -6.597 4.047 -5.986 1.00 0.00 C ATOM 747 C ILE B 23 -6.290 5.498 -5.640 1.00 0.00 C ATOM 748 O ILE B 23 -5.975 5.818 -4.494 1.00 0.00 O ATOM 749 CB ILE B 23 -5.395 3.450 -6.742 1.00 0.00 C ATOM 750 CG1 ILE B 23 -5.682 2.005 -7.161 1.00 0.00 C ATOM 751 CG2 ILE B 23 -4.146 3.521 -5.874 1.00 0.00 C ATOM 752 CD1 ILE B 23 -5.971 1.075 -6.000 1.00 0.00 C ATOM 0 H ILE B 23 -7.689 3.852 -7.766 1.00 0.00 H new ATOM 0 HA ILE B 23 -6.755 3.473 -5.073 1.00 0.00 H new ATOM 0 HB ILE B 23 -5.226 4.035 -7.646 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -6.534 1.997 -7.841 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -4.826 1.621 -7.717 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -3.301 3.097 -6.417 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.933 4.561 -5.627 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -4.308 2.956 -4.956 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -6.164 0.071 -6.378 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -5.112 1.052 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -6.845 1.433 -5.456 1.00 0.00 H new ATOM 764 N ASP B 24 -6.387 6.372 -6.640 1.00 0.00 N ATOM 765 CA ASP B 24 -6.124 7.794 -6.440 1.00 0.00 C ATOM 766 C ASP B 24 -6.936 8.330 -5.266 1.00 0.00 C ATOM 767 O ASP B 24 -6.451 9.144 -4.481 1.00 0.00 O ATOM 768 CB ASP B 24 -6.457 8.586 -7.706 1.00 0.00 C ATOM 769 CG ASP B 24 -5.568 8.211 -8.874 1.00 0.00 C ATOM 770 OD1 ASP B 24 -5.579 7.028 -9.273 1.00 0.00 O ATOM 771 OD2 ASP B 24 -4.860 9.100 -9.392 1.00 0.00 O ATOM 0 H ASP B 24 -6.645 6.120 -7.594 1.00 0.00 H new ATOM 0 HA ASP B 24 -5.064 7.914 -6.218 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -7.499 8.413 -7.976 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.354 9.652 -7.502 1.00 0.00 H new ATOM 776 N ASN B 25 -8.172 7.857 -5.153 1.00 0.00 N ATOM 777 CA ASN B 25 -9.058 8.273 -4.074 1.00 0.00 C ATOM 778 C ASN B 25 -8.473 7.886 -2.717 1.00 0.00 C ATOM 779 O ASN B 25 -8.456 8.689 -1.782 1.00 0.00 O ATOM 780 CB ASN B 25 -10.437 7.634 -4.254 1.00 0.00 C ATOM 781 CG ASN B 25 -11.142 8.091 -5.521 1.00 0.00 C ATOM 782 OD1 ASN B 25 -12.256 7.654 -5.811 1.00 0.00 O ATOM 783 ND2 ASN B 25 -10.502 8.973 -6.284 1.00 0.00 N ATOM 0 H ASN B 25 -8.584 7.183 -5.798 1.00 0.00 H new ATOM 0 HA ASN B 25 -9.160 9.358 -4.108 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -10.329 6.550 -4.276 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -11.059 7.875 -3.392 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -10.934 9.311 -7.144 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -9.580 9.311 -6.009 1.00 0.00 H new ATOM 790 N VAL B 26 -7.994 6.651 -2.619 1.00 0.00 N ATOM 791 CA VAL B 26 -7.410 6.155 -1.379 1.00 0.00 C ATOM 792 C VAL B 26 -6.183 6.967 -0.979 1.00 0.00 C ATOM 793 O VAL B 26 -6.059 7.395 0.167 1.00 0.00 O ATOM 794 CB VAL B 26 -7.002 4.674 -1.501 1.00 0.00 C ATOM 795 CG1 VAL B 26 -6.482 4.150 -0.171 1.00 0.00 C ATOM 796 CG2 VAL B 26 -8.171 3.834 -1.992 1.00 0.00 C ATOM 0 H VAL B 26 -7.999 5.975 -3.383 1.00 0.00 H new ATOM 0 HA VAL B 26 -8.178 6.256 -0.612 1.00 0.00 H new ATOM 0 HB VAL B 26 -6.199 4.599 -2.234 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -6.199 3.103 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -5.612 4.731 0.134 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -7.262 4.240 0.585 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -7.862 2.792 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -8.998 3.915 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -8.491 4.193 -2.970 1.00 0.00 H new ATOM 806 N LYS B 27 -5.276 7.166 -1.929 1.00 0.00 N ATOM 807 CA LYS B 27 -4.050 7.916 -1.678 1.00 0.00 C ATOM 808 C LYS B 27 -4.343 9.344 -1.227 1.00 0.00 C ATOM 809 O LYS B 27 -3.706 9.848 -0.302 1.00 0.00 O ATOM 810 CB LYS B 27 -3.168 7.923 -2.928 1.00 0.00 C ATOM 811 CG LYS B 27 -2.627 6.550 -3.297 1.00 0.00 C ATOM 812 CD LYS B 27 -1.701 6.008 -2.220 1.00 0.00 C ATOM 813 CE LYS B 27 -1.119 4.659 -2.607 1.00 0.00 C ATOM 814 NZ LYS B 27 -0.106 4.191 -1.622 1.00 0.00 N ATOM 0 H LYS B 27 -5.367 6.817 -2.883 1.00 0.00 H new ATOM 0 HA LYS B 27 -3.518 7.418 -0.868 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -3.743 8.315 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -2.332 8.604 -2.769 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -3.457 5.859 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -2.089 6.612 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -0.892 6.717 -2.045 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -2.249 5.913 -1.283 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -1.921 3.925 -2.680 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -0.661 4.730 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 0.423 3.390 -2.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 0.552 4.967 -1.405 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -0.584 3.889 -0.749 1.00 0.00 H new ATOM 828 N SER B 28 -5.304 9.994 -1.876 1.00 0.00 N ATOM 829 CA SER B 28 -5.663 11.362 -1.520 1.00 0.00 C ATOM 830 C SER B 28 -6.136 11.428 -0.071 1.00 0.00 C ATOM 831 O SER B 28 -5.702 12.289 0.697 1.00 0.00 O ATOM 832 CB SER B 28 -6.749 11.897 -2.455 1.00 0.00 C ATOM 833 OG SER B 28 -7.930 11.119 -2.367 1.00 0.00 O ATOM 0 H SER B 28 -5.845 9.599 -2.646 1.00 0.00 H new ATOM 0 HA SER B 28 -4.776 11.987 -1.628 1.00 0.00 H new ATOM 0 HB2 SER B 28 -6.973 12.933 -2.201 1.00 0.00 H new ATOM 0 HB3 SER B 28 -6.383 11.893 -3.482 1.00 0.00 H new ATOM 0 HG SER B 28 -7.695 10.189 -2.168 1.00 0.00 H new ATOM 839 N LYS B 29 -7.021 10.505 0.300 1.00 0.00 N ATOM 840 CA LYS B 29 -7.541 10.457 1.662 1.00 0.00 C ATOM 841 C LYS B 29 -6.409 10.214 2.656 1.00 0.00 C ATOM 842 O LYS B 29 -6.326 10.875 3.694 1.00 0.00 O ATOM 843 CB LYS B 29 -8.605 9.366 1.786 1.00 0.00 C ATOM 844 CG LYS B 29 -9.778 9.562 0.836 1.00 0.00 C ATOM 845 CD LYS B 29 -10.835 8.484 1.012 1.00 0.00 C ATOM 846 CE LYS B 29 -11.507 8.575 2.373 1.00 0.00 C ATOM 847 NZ LYS B 29 -12.599 7.575 2.518 1.00 0.00 N ATOM 0 H LYS B 29 -7.390 9.785 -0.321 1.00 0.00 H new ATOM 0 HA LYS B 29 -8.001 11.418 1.892 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -8.146 8.396 1.592 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -8.976 9.344 2.811 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.225 10.541 1.008 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -9.418 9.553 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -11.586 8.579 0.228 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.376 7.502 0.897 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.765 8.419 3.156 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.911 9.578 2.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -13.390 7.998 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.928 7.281 1.576 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -12.244 6.745 3.035 1.00 0.00 H new ATOM 861 N ILE B 30 -5.527 9.273 2.324 1.00 0.00 N ATOM 862 CA ILE B 30 -4.388 8.956 3.178 1.00 0.00 C ATOM 863 C ILE B 30 -3.527 10.194 3.391 1.00 0.00 C ATOM 864 O ILE B 30 -3.036 10.442 4.491 1.00 0.00 O ATOM 865 CB ILE B 30 -3.520 7.831 2.576 1.00 0.00 C ATOM 866 CG1 ILE B 30 -4.328 6.535 2.471 1.00 0.00 C ATOM 867 CG2 ILE B 30 -2.267 7.617 3.416 1.00 0.00 C ATOM 868 CD1 ILE B 30 -3.568 5.393 1.831 1.00 0.00 C ATOM 0 H ILE B 30 -5.581 8.718 1.470 1.00 0.00 H new ATOM 0 HA ILE B 30 -4.784 8.612 4.133 1.00 0.00 H new ATOM 0 HB ILE B 30 -3.212 8.127 1.573 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -4.646 6.234 3.469 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -5.232 6.727 1.893 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -1.666 6.820 2.977 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -1.685 8.538 3.442 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -2.552 7.339 4.431 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -4.205 4.509 1.791 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -3.273 5.674 0.820 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -2.678 5.173 2.420 1.00 0.00 H new ATOM 880 N GLN B 31 -3.355 10.972 2.328 1.00 0.00 N ATOM 881 CA GLN B 31 -2.563 12.192 2.392 1.00 0.00 C ATOM 882 C GLN B 31 -3.181 13.180 3.373 1.00 0.00 C ATOM 883 O GLN B 31 -2.478 13.812 4.157 1.00 0.00 O ATOM 884 CB GLN B 31 -2.461 12.830 1.005 1.00 0.00 C ATOM 885 CG GLN B 31 -1.678 14.135 0.988 1.00 0.00 C ATOM 886 CD GLN B 31 -1.638 14.788 -0.384 1.00 0.00 C ATOM 887 OE1 GLN B 31 -1.030 15.845 -0.559 1.00 0.00 O ATOM 888 NE2 GLN B 31 -2.287 14.169 -1.366 1.00 0.00 N ATOM 0 H GLN B 31 -3.755 10.778 1.410 1.00 0.00 H new ATOM 0 HA GLN B 31 -1.562 11.934 2.739 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -1.987 12.123 0.324 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -3.466 13.014 0.625 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -2.124 14.829 1.701 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -0.658 13.945 1.323 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -2.779 13.295 -1.181 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -2.293 14.568 -2.305 1.00 0.00 H new ATOM 897 N ASP B 32 -4.500 13.312 3.319 1.00 0.00 N ATOM 898 CA ASP B 32 -5.212 14.229 4.201 1.00 0.00 C ATOM 899 C ASP B 32 -5.012 13.857 5.670 1.00 0.00 C ATOM 900 O ASP B 32 -4.781 14.726 6.511 1.00 0.00 O ATOM 901 CB ASP B 32 -6.705 14.235 3.860 1.00 0.00 C ATOM 902 CG ASP B 32 -7.494 15.228 4.694 1.00 0.00 C ATOM 903 OD1 ASP B 32 -7.517 15.080 5.934 1.00 0.00 O ATOM 904 OD2 ASP B 32 -8.093 16.153 4.105 1.00 0.00 O ATOM 0 H ASP B 32 -5.099 12.796 2.674 1.00 0.00 H new ATOM 0 HA ASP B 32 -4.803 15.228 4.048 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -6.831 14.473 2.804 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -7.112 13.235 4.012 1.00 0.00 H new ATOM 909 N LYS B 33 -5.122 12.567 5.977 1.00 0.00 N ATOM 910 CA LYS B 33 -4.974 12.093 7.352 1.00 0.00 C ATOM 911 C LYS B 33 -3.510 12.048 7.796 1.00 0.00 C ATOM 912 O LYS B 33 -3.117 12.734 8.740 1.00 0.00 O ATOM 913 CB LYS B 33 -5.596 10.703 7.499 1.00 0.00 C ATOM 914 CG LYS B 33 -5.644 10.203 8.934 1.00 0.00 C ATOM 915 CD LYS B 33 -6.227 8.800 9.020 1.00 0.00 C ATOM 916 CE LYS B 33 -7.669 8.760 8.535 1.00 0.00 C ATOM 917 NZ LYS B 33 -8.239 7.386 8.602 1.00 0.00 N ATOM 0 H LYS B 33 -5.312 11.833 5.295 1.00 0.00 H new ATOM 0 HA LYS B 33 -5.494 12.804 7.994 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -6.609 10.724 7.097 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -5.028 9.995 6.896 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -4.638 10.206 9.355 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -6.244 10.884 9.537 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -5.623 8.117 8.422 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -6.180 8.449 10.051 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -8.275 9.434 9.141 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -7.717 9.123 7.508 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -8.724 7.167 7.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -7.473 6.700 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -8.919 7.330 9.387 1.00 0.00 H new ATOM 931 N GLU B 34 -2.716 11.215 7.128 1.00 0.00 N ATOM 932 CA GLU B 34 -1.304 11.052 7.471 1.00 0.00 C ATOM 933 C GLU B 34 -0.449 12.243 7.042 1.00 0.00 C ATOM 934 O GLU B 34 0.411 12.696 7.798 1.00 0.00 O ATOM 935 CB GLU B 34 -0.756 9.767 6.850 1.00 0.00 C ATOM 936 CG GLU B 34 -1.413 8.509 7.392 1.00 0.00 C ATOM 937 CD GLU B 34 -0.825 7.242 6.805 1.00 0.00 C ATOM 938 OE1 GLU B 34 0.395 7.024 6.965 1.00 0.00 O ATOM 939 OE2 GLU B 34 -1.584 6.465 6.188 1.00 0.00 O ATOM 0 H GLU B 34 -3.026 10.641 6.344 1.00 0.00 H new ATOM 0 HA GLU B 34 -1.248 10.992 8.558 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -0.897 9.805 5.770 1.00 0.00 H new ATOM 0 HB3 GLU B 34 0.318 9.714 7.030 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -1.305 8.486 8.476 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -2.481 8.541 7.179 1.00 0.00 H new ATOM 946 N GLY B 35 -0.671 12.742 5.830 1.00 0.00 N ATOM 947 CA GLY B 35 0.112 13.866 5.346 1.00 0.00 C ATOM 948 C GLY B 35 1.340 13.427 4.569 1.00 0.00 C ATOM 949 O GLY B 35 2.461 13.817 4.896 1.00 0.00 O ATOM 0 H GLY B 35 -1.373 12.392 5.178 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -0.513 14.492 4.709 1.00 0.00 H new ATOM 0 HA3 GLY B 35 0.421 14.480 6.192 1.00 0.00 H new ATOM 953 N ILE B 36 1.126 12.611 3.540 1.00 0.00 N ATOM 954 CA ILE B 36 2.220 12.112 2.710 1.00 0.00 C ATOM 955 C ILE B 36 1.837 12.136 1.229 1.00 0.00 C ATOM 956 O ILE B 36 0.748 11.698 0.857 1.00 0.00 O ATOM 957 CB ILE B 36 2.613 10.673 3.113 1.00 0.00 C ATOM 958 CG1 ILE B 36 3.133 10.651 4.554 1.00 0.00 C ATOM 959 CG2 ILE B 36 3.657 10.111 2.154 1.00 0.00 C ATOM 960 CD1 ILE B 36 3.514 9.270 5.045 1.00 0.00 C ATOM 0 H ILE B 36 0.203 12.280 3.260 1.00 0.00 H new ATOM 0 HA ILE B 36 3.074 12.770 2.870 1.00 0.00 H new ATOM 0 HB ILE B 36 1.727 10.041 3.054 1.00 0.00 H new ATOM 0 HG12 ILE B 36 4.002 11.305 4.627 1.00 0.00 H new ATOM 0 HG13 ILE B 36 2.368 11.063 5.213 1.00 0.00 H new ATOM 0 HG21 ILE B 36 3.920 9.097 2.456 1.00 0.00 H new ATOM 0 HG22 ILE B 36 3.251 10.095 1.143 1.00 0.00 H new ATOM 0 HG23 ILE B 36 4.548 10.739 2.177 1.00 0.00 H new ATOM 0 HD11 ILE B 36 3.873 9.335 6.072 1.00 0.00 H new ATOM 0 HD12 ILE B 36 2.642 8.617 5.006 1.00 0.00 H new ATOM 0 HD13 ILE B 36 4.302 8.863 4.411 1.00 0.00 H new ATOM 972 N PRO B 37 2.729 12.655 0.360 1.00 0.00 N ATOM 973 CA PRO B 37 2.470 12.736 -1.083 1.00 0.00 C ATOM 974 C PRO B 37 2.148 11.372 -1.691 1.00 0.00 C ATOM 975 O PRO B 37 2.867 10.400 -1.466 1.00 0.00 O ATOM 976 CB PRO B 37 3.781 13.281 -1.658 1.00 0.00 C ATOM 977 CG PRO B 37 4.437 13.979 -0.518 1.00 0.00 C ATOM 978 CD PRO B 37 4.051 13.208 0.712 1.00 0.00 C ATOM 0 HA PRO B 37 1.604 13.360 -1.304 1.00 0.00 H new ATOM 0 HB2 PRO B 37 4.408 12.477 -2.043 1.00 0.00 H new ATOM 0 HB3 PRO B 37 3.595 13.965 -2.486 1.00 0.00 H new ATOM 0 HG2 PRO B 37 5.520 13.999 -0.643 1.00 0.00 H new ATOM 0 HG3 PRO B 37 4.105 15.015 -0.450 1.00 0.00 H new ATOM 0 HD2 PRO B 37 4.770 12.421 0.936 1.00 0.00 H new ATOM 0 HD3 PRO B 37 3.998 13.851 1.591 1.00 0.00 H new ATOM 986 N PRO B 38 1.053 11.282 -2.471 1.00 0.00 N ATOM 987 CA PRO B 38 0.635 10.027 -3.108 1.00 0.00 C ATOM 988 C PRO B 38 1.677 9.488 -4.082 1.00 0.00 C ATOM 989 O PRO B 38 1.950 8.288 -4.111 1.00 0.00 O ATOM 990 CB PRO B 38 -0.647 10.406 -3.861 1.00 0.00 C ATOM 991 CG PRO B 38 -1.108 11.677 -3.235 1.00 0.00 C ATOM 992 CD PRO B 38 0.135 12.389 -2.787 1.00 0.00 C ATOM 0 HA PRO B 38 0.495 9.235 -2.372 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -0.453 10.539 -4.925 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -1.402 9.626 -3.770 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -1.670 12.282 -3.947 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -1.770 11.480 -2.392 1.00 0.00 H new ATOM 0 HD2 PRO B 38 0.535 13.035 -3.569 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -0.052 13.020 -1.918 1.00 0.00 H new ATOM 1000 N ASP B 39 2.247 10.379 -4.888 1.00 0.00 N ATOM 1001 CA ASP B 39 3.251 9.986 -5.872 1.00 0.00 C ATOM 1002 C ASP B 39 4.471 9.343 -5.214 1.00 0.00 C ATOM 1003 O ASP B 39 5.020 8.371 -5.732 1.00 0.00 O ATOM 1004 CB ASP B 39 3.679 11.191 -6.720 1.00 0.00 C ATOM 1005 CG ASP B 39 4.152 12.371 -5.889 1.00 0.00 C ATOM 1006 OD1 ASP B 39 4.077 12.298 -4.645 1.00 0.00 O ATOM 1007 OD2 ASP B 39 4.589 13.376 -6.488 1.00 0.00 O ATOM 0 H ASP B 39 2.032 11.376 -4.879 1.00 0.00 H new ATOM 0 HA ASP B 39 2.793 9.240 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP B 39 4.479 10.886 -7.395 1.00 0.00 H new ATOM 0 HB3 ASP B 39 2.841 11.506 -7.341 1.00 0.00 H new ATOM 1012 N GLN B 40 4.896 9.888 -4.077 1.00 0.00 N ATOM 1013 CA GLN B 40 6.056 9.361 -3.365 1.00 0.00 C ATOM 1014 C GLN B 40 5.761 7.990 -2.764 1.00 0.00 C ATOM 1015 O GLN B 40 6.539 7.050 -2.927 1.00 0.00 O ATOM 1016 CB GLN B 40 6.489 10.330 -2.262 1.00 0.00 C ATOM 1017 CG GLN B 40 6.919 11.693 -2.781 1.00 0.00 C ATOM 1018 CD GLN B 40 8.141 11.622 -3.678 1.00 0.00 C ATOM 1019 OE1 GLN B 40 8.105 11.019 -4.751 1.00 0.00 O ATOM 1020 NE2 GLN B 40 9.234 12.235 -3.239 1.00 0.00 N ATOM 0 H GLN B 40 4.456 10.692 -3.630 1.00 0.00 H new ATOM 0 HA GLN B 40 6.867 9.251 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN B 40 5.664 10.461 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN B 40 7.314 9.887 -1.704 1.00 0.00 H new ATOM 0 HG2 GLN B 40 6.094 12.143 -3.333 1.00 0.00 H new ATOM 0 HG3 GLN B 40 7.132 12.348 -1.936 1.00 0.00 H new ATOM 0 HE21 GLN B 40 9.220 12.723 -2.344 1.00 0.00 H new ATOM 0 HE22 GLN B 40 10.088 12.218 -3.797 1.00 0.00 H new ATOM 1029 N GLN B 41 4.636 7.885 -2.063 1.00 0.00 N ATOM 1030 CA GLN B 41 4.243 6.630 -1.433 1.00 0.00 C ATOM 1031 C GLN B 41 3.815 5.597 -2.472 1.00 0.00 C ATOM 1032 O GLN B 41 2.984 5.876 -3.336 1.00 0.00 O ATOM 1033 CB GLN B 41 3.105 6.871 -0.437 1.00 0.00 C ATOM 1034 CG GLN B 41 1.864 7.485 -1.066 1.00 0.00 C ATOM 1035 CD GLN B 41 0.739 7.681 -0.068 1.00 0.00 C ATOM 1036 OE1 GLN B 41 0.252 6.724 0.532 1.00 0.00 O ATOM 1037 NE2 GLN B 41 0.319 8.928 0.114 1.00 0.00 N ATOM 0 H GLN B 41 3.981 8.653 -1.917 1.00 0.00 H new ATOM 0 HA GLN B 41 5.110 6.238 -0.901 1.00 0.00 H new ATOM 0 HB2 GLN B 41 2.835 5.923 0.029 1.00 0.00 H new ATOM 0 HB3 GLN B 41 3.462 7.527 0.357 1.00 0.00 H new ATOM 0 HG2 GLN B 41 2.124 8.447 -1.508 1.00 0.00 H new ATOM 0 HG3 GLN B 41 1.518 6.844 -1.877 1.00 0.00 H new ATOM 0 HE21 GLN B 41 0.751 9.693 -0.405 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -0.436 9.121 0.773 1.00 0.00 H new ATOM 1046 N ARG B 42 4.382 4.399 -2.372 1.00 0.00 N ATOM 1047 CA ARG B 42 4.053 3.315 -3.291 1.00 0.00 C ATOM 1048 C ARG B 42 3.068 2.354 -2.644 1.00 0.00 C ATOM 1049 O ARG B 42 3.255 1.937 -1.502 1.00 0.00 O ATOM 1050 CB ARG B 42 5.316 2.564 -3.714 1.00 0.00 C ATOM 1051 CG ARG B 42 6.315 3.431 -4.462 1.00 0.00 C ATOM 1052 CD ARG B 42 5.734 3.966 -5.762 1.00 0.00 C ATOM 1053 NE ARG B 42 5.340 2.892 -6.670 1.00 0.00 N ATOM 1054 CZ ARG B 42 4.809 3.100 -7.872 1.00 0.00 C ATOM 1055 NH1 ARG B 42 4.613 4.336 -8.310 1.00 0.00 N ATOM 1056 NH2 ARG B 42 4.473 2.070 -8.638 1.00 0.00 N ATOM 0 H ARG B 42 5.073 4.154 -1.663 1.00 0.00 H new ATOM 0 HA ARG B 42 3.593 3.748 -4.179 1.00 0.00 H new ATOM 0 HB2 ARG B 42 5.798 2.151 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG B 42 5.034 1.721 -4.345 1.00 0.00 H new ATOM 0 HG2 ARG B 42 6.619 4.265 -3.829 1.00 0.00 H new ATOM 0 HG3 ARG B 42 7.212 2.850 -4.676 1.00 0.00 H new ATOM 0 HD2 ARG B 42 4.868 4.590 -5.542 1.00 0.00 H new ATOM 0 HD3 ARG B 42 6.470 4.603 -6.252 1.00 0.00 H new ATOM 0 HE ARG B 42 5.480 1.929 -6.366 1.00 0.00 H new ATOM 0 HH11 ARG B 42 4.870 5.131 -7.725 1.00 0.00 H new ATOM 0 HH12 ARG B 42 4.206 4.492 -9.232 1.00 0.00 H new ATOM 0 HH21 ARG B 42 4.622 1.117 -8.306 1.00 0.00 H new ATOM 0 HH22 ARG B 42 4.066 2.231 -9.559 1.00 0.00 H new ATOM 1070 N LEU B 43 2.016 2.013 -3.373 1.00 0.00 N ATOM 1071 CA LEU B 43 1.001 1.111 -2.859 1.00 0.00 C ATOM 1072 C LEU B 43 1.319 -0.336 -3.228 1.00 0.00 C ATOM 1073 O LEU B 43 1.671 -0.633 -4.371 1.00 0.00 O ATOM 1074 CB LEU B 43 -0.372 1.517 -3.392 1.00 0.00 C ATOM 1075 CG LEU B 43 -1.560 0.897 -2.662 1.00 0.00 C ATOM 1076 CD1 LEU B 43 -1.490 1.188 -1.168 1.00 0.00 C ATOM 1077 CD2 LEU B 43 -2.867 1.412 -3.244 1.00 0.00 C ATOM 0 H LEU B 43 1.845 2.348 -4.321 1.00 0.00 H new ATOM 0 HA LEU B 43 0.991 1.181 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -0.459 2.602 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.431 1.244 -4.446 1.00 0.00 H new ATOM 0 HG LEU B 43 -1.520 -0.183 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -2.347 0.736 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -0.570 0.771 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -1.503 2.266 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -3.705 0.960 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -2.911 2.496 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -2.923 1.149 -4.300 1.00 0.00 H new ATOM 1089 N ILE B 44 1.202 -1.230 -2.249 1.00 0.00 N ATOM 1090 CA ILE B 44 1.488 -2.645 -2.462 1.00 0.00 C ATOM 1091 C ILE B 44 0.555 -3.530 -1.636 1.00 0.00 C ATOM 1092 O ILE B 44 0.194 -3.189 -0.508 1.00 0.00 O ATOM 1093 CB ILE B 44 2.951 -2.982 -2.097 1.00 0.00 C ATOM 1094 CG1 ILE B 44 3.923 -2.191 -2.979 1.00 0.00 C ATOM 1095 CG2 ILE B 44 3.201 -4.477 -2.235 1.00 0.00 C ATOM 1096 CD1 ILE B 44 5.381 -2.431 -2.646 1.00 0.00 C ATOM 0 H ILE B 44 0.911 -0.998 -1.299 1.00 0.00 H new ATOM 0 HA ILE B 44 1.327 -2.843 -3.522 1.00 0.00 H new ATOM 0 HB ILE B 44 3.122 -2.697 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.750 -2.455 -4.022 1.00 0.00 H new ATOM 0 HG13 ILE B 44 3.707 -1.127 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE B 44 4.236 -4.698 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.534 -5.021 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE B 44 3.012 -4.784 -3.264 1.00 0.00 H new ATOM 0 HD11 ILE B 44 6.009 -1.838 -3.311 1.00 0.00 H new ATOM 0 HD12 ILE B 44 5.571 -2.140 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE B 44 5.614 -3.488 -2.774 1.00 0.00 H new ATOM 1108 N PHE B 45 0.172 -4.668 -2.210 1.00 0.00 N ATOM 1109 CA PHE B 45 -0.717 -5.609 -1.538 1.00 0.00 C ATOM 1110 C PHE B 45 -0.701 -6.967 -2.237 1.00 0.00 C ATOM 1111 O PHE B 45 -0.642 -7.045 -3.465 1.00 0.00 O ATOM 1112 CB PHE B 45 -2.145 -5.058 -1.496 1.00 0.00 C ATOM 1113 CG PHE B 45 -3.124 -5.968 -0.807 1.00 0.00 C ATOM 1114 CD1 PHE B 45 -2.854 -6.473 0.456 1.00 0.00 C ATOM 1115 CD2 PHE B 45 -4.313 -6.320 -1.425 1.00 0.00 C ATOM 1116 CE1 PHE B 45 -3.752 -7.311 1.089 1.00 0.00 C ATOM 1117 CE2 PHE B 45 -5.215 -7.158 -0.797 1.00 0.00 C ATOM 1118 CZ PHE B 45 -4.934 -7.654 0.462 1.00 0.00 C ATOM 0 H PHE B 45 0.465 -4.960 -3.142 1.00 0.00 H new ATOM 0 HA PHE B 45 -0.359 -5.742 -0.517 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -2.138 -4.094 -0.987 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -2.486 -4.878 -2.516 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -1.931 -6.208 0.951 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -4.538 -5.935 -2.409 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -3.530 -7.697 2.073 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -6.138 -7.425 -1.290 1.00 0.00 H new ATOM 0 HZ PHE B 45 -5.637 -8.309 0.955 1.00 0.00 H new ATOM 1128 N ALA B 46 -0.748 -8.033 -1.441 1.00 0.00 N ATOM 1129 CA ALA B 46 -0.735 -9.397 -1.965 1.00 0.00 C ATOM 1130 C ALA B 46 0.441 -9.613 -2.913 1.00 0.00 C ATOM 1131 O ALA B 46 0.298 -10.232 -3.968 1.00 0.00 O ATOM 1132 CB ALA B 46 -2.051 -9.712 -2.661 1.00 0.00 C ATOM 0 H ALA B 46 -0.796 -7.977 -0.424 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.615 -10.080 -1.124 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -2.024 -10.732 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.871 -9.614 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.201 -9.017 -3.487 1.00 0.00 H new ATOM 1138 N GLY B 47 1.604 -9.101 -2.522 1.00 0.00 N ATOM 1139 CA GLY B 47 2.798 -9.245 -3.336 1.00 0.00 C ATOM 1140 C GLY B 47 2.628 -8.686 -4.734 1.00 0.00 C ATOM 1141 O GLY B 47 3.207 -9.204 -5.689 1.00 0.00 O ATOM 0 H GLY B 47 1.741 -8.587 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY B 47 3.629 -8.738 -2.846 1.00 0.00 H new ATOM 0 HA3 GLY B 47 3.062 -10.300 -3.402 1.00 0.00 H new ATOM 1145 N LYS B 48 1.839 -7.621 -4.856 1.00 0.00 N ATOM 1146 CA LYS B 48 1.601 -6.986 -6.149 1.00 0.00 C ATOM 1147 C LYS B 48 1.323 -5.497 -5.973 1.00 0.00 C ATOM 1148 O LYS B 48 0.459 -5.106 -5.189 1.00 0.00 O ATOM 1149 CB LYS B 48 0.422 -7.650 -6.867 1.00 0.00 C ATOM 1150 CG LYS B 48 0.659 -9.110 -7.221 1.00 0.00 C ATOM 1151 CD LYS B 48 -0.550 -9.718 -7.915 1.00 0.00 C ATOM 1152 CE LYS B 48 -0.294 -11.162 -8.317 1.00 0.00 C ATOM 1153 NZ LYS B 48 0.827 -11.278 -9.290 1.00 0.00 N ATOM 0 H LYS B 48 1.354 -7.180 -4.075 1.00 0.00 H new ATOM 0 HA LYS B 48 2.499 -7.109 -6.755 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -0.463 -7.579 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS B 48 0.206 -7.095 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS B 48 1.531 -9.191 -7.870 1.00 0.00 H new ATOM 0 HG3 LYS B 48 0.882 -9.674 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -1.413 -9.672 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -0.796 -9.131 -8.800 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -0.066 -11.751 -7.429 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -1.199 -11.583 -8.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 0.819 -12.226 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 0.715 -10.561 -10.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 1.731 -11.127 -8.798 1.00 0.00 H new ATOM 1167 N GLN B 49 2.063 -4.671 -6.705 1.00 0.00 N ATOM 1168 CA GLN B 49 1.896 -3.225 -6.624 1.00 0.00 C ATOM 1169 C GLN B 49 0.544 -2.800 -7.185 1.00 0.00 C ATOM 1170 O GLN B 49 0.127 -3.258 -8.249 1.00 0.00 O ATOM 1171 CB GLN B 49 3.038 -2.513 -7.363 1.00 0.00 C ATOM 1172 CG GLN B 49 3.153 -2.875 -8.839 1.00 0.00 C ATOM 1173 CD GLN B 49 2.217 -2.079 -9.736 1.00 0.00 C ATOM 1174 OE1 GLN B 49 2.126 -2.340 -10.936 1.00 0.00 O ATOM 1175 NE2 GLN B 49 1.528 -1.093 -9.169 1.00 0.00 N ATOM 0 H GLN B 49 2.783 -4.977 -7.360 1.00 0.00 H new ATOM 0 HA GLN B 49 1.929 -2.936 -5.574 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.896 -1.436 -7.275 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.979 -2.752 -6.868 1.00 0.00 H new ATOM 0 HG2 GLN B 49 4.180 -2.713 -9.165 1.00 0.00 H new ATOM 0 HG3 GLN B 49 2.943 -3.938 -8.961 1.00 0.00 H new ATOM 0 HE21 GLN B 49 1.630 -0.907 -8.171 1.00 0.00 H new ATOM 0 HE22 GLN B 49 0.897 -0.522 -9.732 1.00 0.00 H new ATOM 1184 N LEU B 50 -0.140 -1.920 -6.458 1.00 0.00 N ATOM 1185 CA LEU B 50 -1.446 -1.430 -6.884 1.00 0.00 C ATOM 1186 C LEU B 50 -1.296 -0.207 -7.783 1.00 0.00 C ATOM 1187 O LEU B 50 -0.577 0.734 -7.449 1.00 0.00 O ATOM 1188 CB LEU B 50 -2.318 -1.082 -5.671 1.00 0.00 C ATOM 1189 CG LEU B 50 -2.750 -2.271 -4.802 1.00 0.00 C ATOM 1190 CD1 LEU B 50 -1.550 -2.913 -4.125 1.00 0.00 C ATOM 1191 CD2 LEU B 50 -3.775 -1.830 -3.765 1.00 0.00 C ATOM 0 H LEU B 50 0.188 -1.533 -5.573 1.00 0.00 H new ATOM 0 HA LEU B 50 -1.933 -2.224 -7.450 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -1.773 -0.376 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -3.213 -0.569 -6.024 1.00 0.00 H new ATOM 0 HG LEU B 50 -3.211 -3.015 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -1.883 -3.753 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -0.852 -3.269 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -1.054 -2.178 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -4.070 -2.686 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -3.338 -1.064 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -4.652 -1.424 -4.270 1.00 0.00 H new ATOM 1203 N GLU B 51 -1.984 -0.223 -8.922 1.00 0.00 N ATOM 1204 CA GLU B 51 -1.930 0.893 -9.862 1.00 0.00 C ATOM 1205 C GLU B 51 -2.606 2.124 -9.267 1.00 0.00 C ATOM 1206 O GLU B 51 -2.693 2.263 -8.050 1.00 0.00 O ATOM 1207 CB GLU B 51 -2.595 0.500 -11.184 1.00 0.00 C ATOM 1208 CG GLU B 51 -1.956 -0.710 -11.844 1.00 0.00 C ATOM 1209 CD GLU B 51 -2.608 -1.068 -13.165 1.00 0.00 C ATOM 1210 OE1 GLU B 51 -3.817 -1.381 -13.166 1.00 0.00 O ATOM 1211 OE2 GLU B 51 -1.910 -1.031 -14.200 1.00 0.00 O ATOM 0 H GLU B 51 -2.584 -0.994 -9.216 1.00 0.00 H new ATOM 0 HA GLU B 51 -0.886 1.137 -10.057 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -3.650 0.292 -11.004 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -2.550 1.345 -11.871 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -0.897 -0.512 -12.008 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -2.020 -1.563 -11.169 1.00 0.00 H new ATOM 1218 N ASP B 52 -3.080 3.016 -10.128 1.00 0.00 N ATOM 1219 CA ASP B 52 -3.744 4.232 -9.676 1.00 0.00 C ATOM 1220 C ASP B 52 -5.150 4.339 -10.258 1.00 0.00 C ATOM 1221 O ASP B 52 -6.129 4.473 -9.523 1.00 0.00 O ATOM 1222 CB ASP B 52 -2.924 5.462 -10.072 1.00 0.00 C ATOM 1223 CG ASP B 52 -1.557 5.494 -9.414 1.00 0.00 C ATOM 1224 OD1 ASP B 52 -1.249 4.571 -8.631 1.00 0.00 O ATOM 1225 OD2 ASP B 52 -0.794 6.447 -9.680 1.00 0.00 O ATOM 0 H ASP B 52 -3.017 2.920 -11.142 1.00 0.00 H new ATOM 0 HA ASP B 52 -3.824 4.187 -8.590 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -2.801 5.478 -11.155 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -3.474 6.363 -9.800 1.00 0.00 H new ATOM 1230 N GLY B 53 -5.242 4.278 -11.582 1.00 0.00 N ATOM 1231 CA GLY B 53 -6.530 4.370 -12.246 1.00 0.00 C ATOM 1232 C GLY B 53 -7.290 3.058 -12.231 1.00 0.00 C ATOM 1233 O GLY B 53 -7.710 2.569 -13.280 1.00 0.00 O ATOM 0 H GLY B 53 -4.445 4.166 -12.209 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -7.131 5.139 -11.760 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -6.380 4.687 -13.278 1.00 0.00 H new ATOM 1237 N ARG B 54 -7.466 2.483 -11.044 1.00 0.00 N ATOM 1238 CA ARG B 54 -8.177 1.216 -10.911 1.00 0.00 C ATOM 1239 C ARG B 54 -9.005 1.174 -9.631 1.00 0.00 C ATOM 1240 O ARG B 54 -8.535 1.559 -8.560 1.00 0.00 O ATOM 1241 CB ARG B 54 -7.188 0.050 -10.921 1.00 0.00 C ATOM 1242 CG ARG B 54 -6.449 -0.121 -12.239 1.00 0.00 C ATOM 1243 CD ARG B 54 -7.403 -0.451 -13.375 1.00 0.00 C ATOM 1244 NE ARG B 54 -6.701 -0.667 -14.636 1.00 0.00 N ATOM 1245 CZ ARG B 54 -7.314 -0.946 -15.782 1.00 0.00 C ATOM 1246 NH1 ARG B 54 -8.637 -1.031 -15.828 1.00 0.00 N ATOM 1247 NH2 ARG B 54 -6.604 -1.137 -16.886 1.00 0.00 N ATOM 0 H ARG B 54 -7.127 2.873 -10.164 1.00 0.00 H new ATOM 0 HA ARG B 54 -8.854 1.126 -11.760 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -6.459 0.198 -10.124 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -7.725 -0.871 -10.695 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -5.905 0.794 -12.474 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -5.709 -0.915 -12.142 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -7.974 -1.344 -13.121 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -8.119 0.362 -13.494 1.00 0.00 H new ATOM 0 HE ARG B 54 -5.683 -0.600 -14.638 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -9.187 -0.882 -14.982 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -9.104 -1.245 -16.709 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -5.587 -1.070 -16.856 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -7.075 -1.351 -17.765 1.00 0.00 H new ATOM 1261 N THR B 55 -10.240 0.696 -9.756 1.00 0.00 N ATOM 1262 CA THR B 55 -11.144 0.591 -8.617 1.00 0.00 C ATOM 1263 C THR B 55 -10.728 -0.545 -7.688 1.00 0.00 C ATOM 1264 O THR B 55 -10.296 -1.605 -8.143 1.00 0.00 O ATOM 1265 CB THR B 55 -12.599 0.359 -9.068 1.00 0.00 C ATOM 1266 OG1 THR B 55 -12.691 -0.850 -9.828 1.00 0.00 O ATOM 1267 CG2 THR B 55 -13.102 1.527 -9.904 1.00 0.00 C ATOM 0 H THR B 55 -10.638 0.374 -10.638 1.00 0.00 H new ATOM 0 HA THR B 55 -11.085 1.539 -8.082 1.00 0.00 H new ATOM 0 HB THR B 55 -13.221 0.276 -8.177 1.00 0.00 H new ATOM 0 HG1 THR B 55 -13.619 -0.990 -10.109 1.00 0.00 H new ATOM 0 HG21 THR B 55 -14.131 1.339 -10.210 1.00 0.00 H new ATOM 0 HG22 THR B 55 -13.061 2.442 -9.313 1.00 0.00 H new ATOM 0 HG23 THR B 55 -12.475 1.638 -10.789 1.00 0.00 H new ATOM 1275 N LEU B 56 -10.860 -0.315 -6.386 1.00 0.00 N ATOM 1276 CA LEU B 56 -10.500 -1.316 -5.388 1.00 0.00 C ATOM 1277 C LEU B 56 -11.275 -2.613 -5.606 1.00 0.00 C ATOM 1278 O LEU B 56 -10.764 -3.703 -5.344 1.00 0.00 O ATOM 1279 CB LEU B 56 -10.765 -0.782 -3.979 1.00 0.00 C ATOM 1280 CG LEU B 56 -9.966 0.467 -3.595 1.00 0.00 C ATOM 1281 CD1 LEU B 56 -10.341 0.928 -2.195 1.00 0.00 C ATOM 1282 CD2 LEU B 56 -8.470 0.195 -3.682 1.00 0.00 C ATOM 0 H LEU B 56 -11.215 0.558 -5.996 1.00 0.00 H new ATOM 0 HA LEU B 56 -9.436 -1.529 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -11.828 -0.557 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -10.543 -1.571 -3.261 1.00 0.00 H new ATOM 0 HG LEU B 56 -10.212 1.262 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -9.764 1.816 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -11.405 1.164 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -10.123 0.135 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -7.920 1.094 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -8.207 -0.615 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -8.211 -0.090 -4.702 1.00 0.00 H new ATOM 1294 N SER B 57 -12.512 -2.485 -6.080 1.00 0.00 N ATOM 1295 CA SER B 57 -13.367 -3.643 -6.331 1.00 0.00 C ATOM 1296 C SER B 57 -12.657 -4.675 -7.202 1.00 0.00 C ATOM 1297 O SER B 57 -12.742 -5.877 -6.947 1.00 0.00 O ATOM 1298 CB SER B 57 -14.670 -3.205 -7.003 1.00 0.00 C ATOM 1299 OG SER B 57 -15.379 -2.286 -6.190 1.00 0.00 O ATOM 0 H SER B 57 -12.946 -1.588 -6.299 1.00 0.00 H new ATOM 0 HA SER B 57 -13.595 -4.104 -5.370 1.00 0.00 H new ATOM 0 HB2 SER B 57 -14.450 -2.747 -7.967 1.00 0.00 H new ATOM 0 HB3 SER B 57 -15.293 -4.078 -7.199 1.00 0.00 H new ATOM 0 HG SER B 57 -15.153 -2.440 -5.249 1.00 0.00 H new ATOM 1305 N ASP B 58 -11.958 -4.200 -8.228 1.00 0.00 N ATOM 1306 CA ASP B 58 -11.234 -5.085 -9.134 1.00 0.00 C ATOM 1307 C ASP B 58 -10.241 -5.952 -8.366 1.00 0.00 C ATOM 1308 O ASP B 58 -10.159 -7.161 -8.581 1.00 0.00 O ATOM 1309 CB ASP B 58 -10.498 -4.269 -10.200 1.00 0.00 C ATOM 1310 CG ASP B 58 -11.439 -3.440 -11.055 1.00 0.00 C ATOM 1311 OD1 ASP B 58 -12.665 -3.506 -10.827 1.00 0.00 O ATOM 1312 OD2 ASP B 58 -10.948 -2.724 -11.953 1.00 0.00 O ATOM 0 H ASP B 58 -11.878 -3.208 -8.453 1.00 0.00 H new ATOM 0 HA ASP B 58 -11.959 -5.737 -9.622 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -9.778 -3.610 -9.715 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -9.930 -4.944 -10.841 1.00 0.00 H new ATOM 1317 N TYR B 59 -9.491 -5.323 -7.466 1.00 0.00 N ATOM 1318 CA TYR B 59 -8.505 -6.032 -6.659 1.00 0.00 C ATOM 1319 C TYR B 59 -9.188 -6.970 -5.670 1.00 0.00 C ATOM 1320 O TYR B 59 -8.638 -8.011 -5.308 1.00 0.00 O ATOM 1321 CB TYR B 59 -7.610 -5.042 -5.907 1.00 0.00 C ATOM 1322 CG TYR B 59 -6.785 -4.147 -6.809 1.00 0.00 C ATOM 1323 CD1 TYR B 59 -7.391 -3.293 -7.722 1.00 0.00 C ATOM 1324 CD2 TYR B 59 -5.398 -4.162 -6.747 1.00 0.00 C ATOM 1325 CE1 TYR B 59 -6.639 -2.480 -8.547 1.00 0.00 C ATOM 1326 CE2 TYR B 59 -4.638 -3.352 -7.568 1.00 0.00 C ATOM 1327 CZ TYR B 59 -5.263 -2.513 -8.466 1.00 0.00 C ATOM 1328 OH TYR B 59 -4.510 -1.705 -9.286 1.00 0.00 O ATOM 0 H TYR B 59 -9.548 -4.322 -7.277 1.00 0.00 H new ATOM 0 HA TYR B 59 -7.886 -6.625 -7.331 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -8.234 -4.419 -5.266 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -6.939 -5.599 -5.253 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -8.469 -3.264 -7.788 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -4.905 -4.818 -6.045 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -7.126 -1.822 -9.252 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -3.560 -3.376 -7.507 1.00 0.00 H new ATOM 0 HH TYR B 59 -4.989 -1.556 -10.128 1.00 0.00 H new ATOM 1338 N ASN B 60 -10.386 -6.587 -5.232 1.00 0.00 N ATOM 1339 CA ASN B 60 -11.150 -7.384 -4.276 1.00 0.00 C ATOM 1340 C ASN B 60 -10.392 -7.494 -2.957 1.00 0.00 C ATOM 1341 O ASN B 60 -10.238 -8.581 -2.398 1.00 0.00 O ATOM 1342 CB ASN B 60 -11.439 -8.778 -4.847 1.00 0.00 C ATOM 1343 CG ASN B 60 -12.397 -9.589 -3.989 1.00 0.00 C ATOM 1344 OD1 ASN B 60 -12.673 -10.751 -4.285 1.00 0.00 O ATOM 1345 ND2 ASN B 60 -12.921 -8.981 -2.928 1.00 0.00 N ATOM 0 H ASN B 60 -10.849 -5.727 -5.525 1.00 0.00 H new ATOM 0 HA ASN B 60 -12.102 -6.886 -4.091 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -11.857 -8.674 -5.848 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -10.501 -9.324 -4.948 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -13.577 -9.480 -2.327 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -12.667 -8.016 -2.716 1.00 0.00 H new ATOM 1352 N ILE B 61 -9.914 -6.352 -2.472 1.00 0.00 N ATOM 1353 CA ILE B 61 -9.162 -6.297 -1.223 1.00 0.00 C ATOM 1354 C ILE B 61 -10.024 -6.727 -0.037 1.00 0.00 C ATOM 1355 O ILE B 61 -11.168 -6.296 0.101 1.00 0.00 O ATOM 1356 CB ILE B 61 -8.617 -4.877 -0.969 1.00 0.00 C ATOM 1357 CG1 ILE B 61 -7.747 -4.427 -2.147 1.00 0.00 C ATOM 1358 CG2 ILE B 61 -7.824 -4.838 0.330 1.00 0.00 C ATOM 1359 CD1 ILE B 61 -7.267 -2.995 -2.042 1.00 0.00 C ATOM 0 H ILE B 61 -10.035 -5.448 -2.928 1.00 0.00 H new ATOM 0 HA ILE B 61 -8.326 -6.990 -1.321 1.00 0.00 H new ATOM 0 HB ILE B 61 -9.458 -4.189 -0.877 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -6.882 -5.086 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -8.314 -4.543 -3.070 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -7.446 -3.829 0.495 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -8.471 -5.124 1.160 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -6.987 -5.533 0.266 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -6.658 -2.751 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -8.126 -2.325 -2.001 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -6.671 -2.876 -1.137 1.00 0.00 H new ATOM 1371 N GLN B 62 -9.463 -7.580 0.814 1.00 0.00 N ATOM 1372 CA GLN B 62 -10.172 -8.074 1.990 1.00 0.00 C ATOM 1373 C GLN B 62 -10.369 -6.970 3.024 1.00 0.00 C ATOM 1374 O GLN B 62 -9.524 -6.088 3.175 1.00 0.00 O ATOM 1375 CB GLN B 62 -9.411 -9.243 2.617 1.00 0.00 C ATOM 1376 CG GLN B 62 -9.275 -10.442 1.694 1.00 0.00 C ATOM 1377 CD GLN B 62 -8.540 -11.598 2.343 1.00 0.00 C ATOM 1378 OE1 GLN B 62 -8.954 -12.103 3.386 1.00 0.00 O ATOM 1379 NE2 GLN B 62 -7.444 -12.023 1.727 1.00 0.00 N ATOM 0 H GLN B 62 -8.516 -7.945 0.711 1.00 0.00 H new ATOM 0 HA GLN B 62 -11.155 -8.417 1.666 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -8.417 -8.904 2.909 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -9.923 -9.552 3.528 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -10.267 -10.774 1.387 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -8.745 -10.141 0.790 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -7.138 -11.574 0.864 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -6.908 -12.798 2.117 1.00 0.00 H new ATOM 1388 N LYS B 63 -11.490 -7.028 3.737 1.00 0.00 N ATOM 1389 CA LYS B 63 -11.802 -6.046 4.760 1.00 0.00 C ATOM 1390 C LYS B 63 -10.802 -6.128 5.911 1.00 0.00 C ATOM 1391 O LYS B 63 -10.327 -7.211 6.254 1.00 0.00 O ATOM 1392 CB LYS B 63 -13.220 -6.272 5.280 1.00 0.00 C ATOM 1393 CG LYS B 63 -13.658 -5.238 6.297 1.00 0.00 C ATOM 1394 CD LYS B 63 -15.074 -5.494 6.790 1.00 0.00 C ATOM 1395 CE LYS B 63 -15.168 -6.800 7.564 1.00 0.00 C ATOM 1396 NZ LYS B 63 -16.546 -7.049 8.070 1.00 0.00 N ATOM 0 H LYS B 63 -12.199 -7.752 3.621 1.00 0.00 H new ATOM 0 HA LYS B 63 -11.735 -5.052 4.319 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -13.914 -6.261 4.439 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -13.281 -7.263 5.730 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -12.971 -5.247 7.143 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -13.602 -4.244 5.852 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -15.393 -4.669 7.427 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -15.756 -5.524 5.940 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -14.863 -7.626 6.921 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -14.472 -6.775 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -16.567 -7.949 8.592 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -16.828 -6.274 8.704 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -17.207 -7.098 7.268 1.00 0.00 H new ATOM 1410 N GLU B 64 -10.484 -4.976 6.500 1.00 0.00 N ATOM 1411 CA GLU B 64 -9.538 -4.912 7.613 1.00 0.00 C ATOM 1412 C GLU B 64 -8.154 -5.397 7.188 1.00 0.00 C ATOM 1413 O GLU B 64 -7.445 -6.039 7.964 1.00 0.00 O ATOM 1414 CB GLU B 64 -10.040 -5.752 8.794 1.00 0.00 C ATOM 1415 CG GLU B 64 -11.388 -5.306 9.337 1.00 0.00 C ATOM 1416 CD GLU B 64 -11.351 -3.920 9.953 1.00 0.00 C ATOM 1417 OE1 GLU B 64 -10.262 -3.308 9.986 1.00 0.00 O ATOM 1418 OE2 GLU B 64 -12.414 -3.449 10.409 1.00 0.00 O ATOM 0 H GLU B 64 -10.869 -4.072 6.224 1.00 0.00 H new ATOM 0 HA GLU B 64 -9.460 -3.870 7.922 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -10.112 -6.794 8.482 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -9.304 -5.710 9.597 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -12.121 -5.319 8.530 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -11.726 -6.022 10.086 1.00 0.00 H new ATOM 1425 N SER B 65 -7.772 -5.078 5.956 1.00 0.00 N ATOM 1426 CA SER B 65 -6.470 -5.475 5.432 1.00 0.00 C ATOM 1427 C SER B 65 -5.485 -4.313 5.477 1.00 0.00 C ATOM 1428 O SER B 65 -5.852 -3.163 5.227 1.00 0.00 O ATOM 1429 CB SER B 65 -6.602 -5.994 4.000 1.00 0.00 C ATOM 1430 OG SER B 65 -7.356 -7.193 3.961 1.00 0.00 O ATOM 0 H SER B 65 -8.345 -4.546 5.302 1.00 0.00 H new ATOM 0 HA SER B 65 -6.087 -6.276 6.064 1.00 0.00 H new ATOM 0 HB2 SER B 65 -7.082 -5.238 3.378 1.00 0.00 H new ATOM 0 HB3 SER B 65 -5.611 -6.170 3.580 1.00 0.00 H new ATOM 0 HG SER B 65 -8.310 -6.982 4.037 1.00 0.00 H new ATOM 1436 N THR B 66 -4.233 -4.622 5.799 1.00 0.00 N ATOM 1437 CA THR B 66 -3.189 -3.615 5.876 1.00 0.00 C ATOM 1438 C THR B 66 -2.558 -3.376 4.507 1.00 0.00 C ATOM 1439 O THR B 66 -2.055 -4.307 3.877 1.00 0.00 O ATOM 1440 CB THR B 66 -2.090 -4.046 6.861 1.00 0.00 C ATOM 1441 OG1 THR B 66 -1.489 -5.270 6.421 1.00 0.00 O ATOM 1442 CG2 THR B 66 -2.655 -4.231 8.261 1.00 0.00 C ATOM 0 H THR B 66 -3.919 -5.569 6.011 1.00 0.00 H new ATOM 0 HA THR B 66 -3.652 -2.692 6.225 1.00 0.00 H new ATOM 0 HB THR B 66 -1.336 -3.259 6.892 1.00 0.00 H new ATOM 0 HG1 THR B 66 -1.387 -5.253 5.446 1.00 0.00 H new ATOM 0 HG21 THR B 66 -1.857 -4.536 8.938 1.00 0.00 H new ATOM 0 HG22 THR B 66 -3.085 -3.291 8.607 1.00 0.00 H new ATOM 0 HG23 THR B 66 -3.428 -4.999 8.243 1.00 0.00 H new ATOM 1450 N LEU B 67 -2.577 -2.126 4.053 1.00 0.00 N ATOM 1451 CA LEU B 67 -1.992 -1.779 2.762 1.00 0.00 C ATOM 1452 C LEU B 67 -0.514 -1.444 2.918 1.00 0.00 C ATOM 1453 O LEU B 67 -0.150 -0.560 3.693 1.00 0.00 O ATOM 1454 CB LEU B 67 -2.724 -0.589 2.135 1.00 0.00 C ATOM 1455 CG LEU B 67 -4.211 -0.806 1.845 1.00 0.00 C ATOM 1456 CD1 LEU B 67 -4.820 0.449 1.239 1.00 0.00 C ATOM 1457 CD2 LEU B 67 -4.414 -1.997 0.919 1.00 0.00 C ATOM 0 H LEU B 67 -2.989 -1.341 4.557 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.096 -2.642 2.105 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -2.623 0.268 2.801 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.224 -0.329 1.202 1.00 0.00 H new ATOM 0 HG LEU B 67 -4.716 -1.019 2.787 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -5.878 0.280 1.038 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -4.712 1.279 1.937 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -4.308 0.689 0.307 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -5.479 -2.132 0.727 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -3.895 -1.818 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -4.014 -2.895 1.389 1.00 0.00 H new ATOM 1469 N HIS B 68 0.334 -2.147 2.178 1.00 0.00 N ATOM 1470 CA HIS B 68 1.769 -1.909 2.242 1.00 0.00 C ATOM 1471 C HIS B 68 2.149 -0.645 1.481 1.00 0.00 C ATOM 1472 O HIS B 68 1.738 -0.445 0.340 1.00 0.00 O ATOM 1473 CB HIS B 68 2.532 -3.115 1.695 1.00 0.00 C ATOM 1474 CG HIS B 68 2.403 -4.329 2.560 1.00 0.00 C ATOM 1475 ND1 HIS B 68 2.865 -4.378 3.859 1.00 0.00 N ATOM 1476 CD2 HIS B 68 1.849 -5.539 2.315 1.00 0.00 C ATOM 1477 CE1 HIS B 68 2.603 -5.566 4.373 1.00 0.00 C ATOM 1478 NE2 HIS B 68 1.987 -6.289 3.457 1.00 0.00 N ATOM 0 H HIS B 68 0.054 -2.883 1.530 1.00 0.00 H new ATOM 0 HA HIS B 68 2.044 -1.766 3.287 1.00 0.00 H new ATOM 0 HB2 HIS B 68 2.165 -3.347 0.695 1.00 0.00 H new ATOM 0 HB3 HIS B 68 3.586 -2.857 1.596 1.00 0.00 H new ATOM 0 HD1 HIS B 68 3.336 -3.616 4.346 1.00 0.00 H new ATOM 0 HD2 HIS B 68 1.385 -5.856 1.393 1.00 0.00 H new ATOM 0 HE1 HIS B 68 2.851 -5.891 5.373 1.00 0.00 H new ATOM 1487 N LEU B 69 2.933 0.208 2.130 1.00 0.00 N ATOM 1488 CA LEU B 69 3.371 1.461 1.528 1.00 0.00 C ATOM 1489 C LEU B 69 4.897 1.504 1.465 1.00 0.00 C ATOM 1490 O LEU B 69 5.573 1.024 2.374 1.00 0.00 O ATOM 1491 CB LEU B 69 2.823 2.643 2.341 1.00 0.00 C ATOM 1492 CG LEU B 69 3.005 4.032 1.717 1.00 0.00 C ATOM 1493 CD1 LEU B 69 2.068 5.032 2.377 1.00 0.00 C ATOM 1494 CD2 LEU B 69 4.445 4.505 1.854 1.00 0.00 C ATOM 0 H LEU B 69 3.279 0.053 3.077 1.00 0.00 H new ATOM 0 HA LEU B 69 2.986 1.531 0.511 1.00 0.00 H new ATOM 0 HB2 LEU B 69 1.759 2.479 2.510 1.00 0.00 H new ATOM 0 HB3 LEU B 69 3.305 2.640 3.319 1.00 0.00 H new ATOM 0 HG LEU B 69 2.764 3.961 0.656 1.00 0.00 H new ATOM 0 HD11 LEU B 69 2.207 6.014 1.925 1.00 0.00 H new ATOM 0 HD12 LEU B 69 1.036 4.711 2.237 1.00 0.00 H new ATOM 0 HD13 LEU B 69 2.289 5.089 3.443 1.00 0.00 H new ATOM 0 HD21 LEU B 69 4.548 5.492 1.404 1.00 0.00 H new ATOM 0 HD22 LEU B 69 4.712 4.558 2.910 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.108 3.804 1.347 1.00 0.00 H new ATOM 1506 N VAL B 70 5.437 2.073 0.390 1.00 0.00 N ATOM 1507 CA VAL B 70 6.885 2.166 0.222 1.00 0.00 C ATOM 1508 C VAL B 70 7.289 3.548 -0.287 1.00 0.00 C ATOM 1509 O VAL B 70 6.912 3.948 -1.388 1.00 0.00 O ATOM 1510 CB VAL B 70 7.401 1.095 -0.763 1.00 0.00 C ATOM 1511 CG1 VAL B 70 8.917 1.150 -0.886 1.00 0.00 C ATOM 1512 CG2 VAL B 70 6.947 -0.290 -0.330 1.00 0.00 C ATOM 0 H VAL B 70 4.896 2.475 -0.375 1.00 0.00 H new ATOM 0 HA VAL B 70 7.334 1.997 1.201 1.00 0.00 H new ATOM 0 HB VAL B 70 6.977 1.306 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL B 70 9.253 0.385 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL B 70 9.217 2.132 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL B 70 9.368 0.972 0.090 1.00 0.00 H new ATOM 0 HG21 VAL B 70 7.320 -1.032 -1.036 1.00 0.00 H new ATOM 0 HG22 VAL B 70 7.337 -0.507 0.664 1.00 0.00 H new ATOM 0 HG23 VAL B 70 5.858 -0.325 -0.308 1.00 0.00 H new ATOM 1522 N LEU B 71 8.057 4.275 0.521 1.00 0.00 N ATOM 1523 CA LEU B 71 8.509 5.614 0.150 1.00 0.00 C ATOM 1524 C LEU B 71 9.492 5.566 -1.015 1.00 0.00 C ATOM 1525 O LEU B 71 10.469 4.818 -0.987 1.00 0.00 O ATOM 1526 CB LEU B 71 9.160 6.320 1.346 1.00 0.00 C ATOM 1527 CG LEU B 71 8.201 6.788 2.448 1.00 0.00 C ATOM 1528 CD1 LEU B 71 7.170 7.755 1.886 1.00 0.00 C ATOM 1529 CD2 LEU B 71 7.517 5.604 3.113 1.00 0.00 C ATOM 0 H LEU B 71 8.379 3.960 1.436 1.00 0.00 H new ATOM 0 HA LEU B 71 7.630 6.178 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU B 71 9.891 5.643 1.790 1.00 0.00 H new ATOM 0 HB3 LEU B 71 9.710 7.186 0.977 1.00 0.00 H new ATOM 0 HG LEU B 71 8.786 7.310 3.205 1.00 0.00 H new ATOM 0 HD11 LEU B 71 6.499 8.075 2.683 1.00 0.00 H new ATOM 0 HD12 LEU B 71 7.677 8.624 1.467 1.00 0.00 H new ATOM 0 HD13 LEU B 71 6.594 7.259 1.105 1.00 0.00 H new ATOM 0 HD21 LEU B 71 6.843 5.963 3.890 1.00 0.00 H new ATOM 0 HD22 LEU B 71 6.949 5.047 2.368 1.00 0.00 H new ATOM 0 HD23 LEU B 71 8.269 4.952 3.558 1.00 0.00 H new ATOM 1541 N ARG B 72 9.227 6.377 -2.034 1.00 0.00 N ATOM 1542 CA ARG B 72 10.087 6.441 -3.210 1.00 0.00 C ATOM 1543 C ARG B 72 11.411 7.124 -2.877 1.00 0.00 C ATOM 1544 O ARG B 72 11.428 8.211 -2.297 1.00 0.00 O ATOM 1545 CB ARG B 72 9.378 7.194 -4.337 1.00 0.00 C ATOM 1546 CG ARG B 72 10.185 7.281 -5.622 1.00 0.00 C ATOM 1547 CD ARG B 72 9.409 7.998 -6.714 1.00 0.00 C ATOM 1548 NE ARG B 72 8.146 7.329 -7.013 1.00 0.00 N ATOM 1549 CZ ARG B 72 7.273 7.765 -7.916 1.00 0.00 C ATOM 1550 NH1 ARG B 72 7.524 8.868 -8.609 1.00 0.00 N ATOM 1551 NH2 ARG B 72 6.147 7.098 -8.128 1.00 0.00 N ATOM 0 H ARG B 72 8.421 7.001 -2.069 1.00 0.00 H new ATOM 0 HA ARG B 72 10.298 5.423 -3.537 1.00 0.00 H new ATOM 0 HB2 ARG B 72 8.429 6.702 -4.548 1.00 0.00 H new ATOM 0 HB3 ARG B 72 9.145 8.203 -3.996 1.00 0.00 H new ATOM 0 HG2 ARG B 72 11.120 7.808 -5.432 1.00 0.00 H new ATOM 0 HG3 ARG B 72 10.447 6.278 -5.958 1.00 0.00 H new ATOM 0 HD2 ARG B 72 9.212 9.025 -6.405 1.00 0.00 H new ATOM 0 HD3 ARG B 72 10.016 8.048 -7.618 1.00 0.00 H new ATOM 0 HE ARG B 72 7.920 6.477 -6.499 1.00 0.00 H new ATOM 0 HH11 ARG B 72 8.389 9.385 -8.450 1.00 0.00 H new ATOM 0 HH12 ARG B 72 6.852 9.200 -9.301 1.00 0.00 H new ATOM 0 HH21 ARG B 72 5.950 6.249 -7.598 1.00 0.00 H new ATOM 0 HH22 ARG B 72 5.478 7.434 -8.821 1.00 0.00 H new