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 25 ASN : amide:sc= -0.276 K(o=0.56,f=-17!) USER MOD Set 1.2: B 29 LYS NZ :NH3+ 147:sc= 0.837 (180deg=-0.0355) USER MOD Set 2.1: B 6 LYS NZ :NH3+ -150:sc= 1.24 (180deg=0) USER MOD Set 2.2: B 12 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 265 LYS NZ :NH3+ 168:sc= -0.0219 (180deg=-0.21) USER MOD Single : A 270 SER OG : rot -28:sc= 1.3 USER MOD Single : A 272 LYS NZ :NH3+ 164:sc= -0.0433 (180deg=-0.334) USER MOD Single : B 1 MET CE :methyl -144:sc= -0.169 (180deg=-0.717) USER MOD Single : B 1 MET N :NH3+ -168:sc= 0 (180deg=-0.176) USER MOD Single : B 2 GLN : amide:sc= -2.18 K(o=-2.2,f=-5.9!) USER MOD Single : B 7 THR OG1 : rot 170:sc= -2.95! USER MOD Single : B 11 LYS NZ :NH3+ -143:sc= -0.184 (180deg=-0.439) USER MOD Single : B 14 THR OG1 : rot -26:sc= 2.04 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 -170:sc= 0 USER MOD Single : B 27 LYS NZ :NH3+ 160:sc= 0.116 (180deg=-0.191) USER MOD Single : B 28 SER OG : rot 62:sc= 0.00606 USER MOD Single : B 31 GLN : amide:sc= -1.42! K(o=-1.4!,f=-0.0034) USER MOD Single : B 33 LYS NZ :NH3+ -164:sc= -0.0248 (180deg=-0.322) USER MOD Single : B 40 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.7!) USER MOD Single : B 41 GLN : amide:sc= -1.76! C(o=-1.8!,f=-7.6!) USER MOD Single : B 48 LYS NZ :NH3+ 166:sc= -0.0205 (180deg=-0.243) USER MOD Single : B 49 GLN : amide:sc= -1.96 K(o=-2,f=-6.5!) USER MOD Single : B 55 THR OG1 : rot 29:sc= 0.0318 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot -116:sc= -0.933 USER MOD Single : B 60 ASN : amide:sc= -0.934 K(o=-0.93,f=0.66) USER MOD Single : B 62 GLN : amide:sc= -1.12! K(o=-1.1!,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 168:sc= 0.0513 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= -0.456 X(o=-0.46,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 259 15.037 0.008 0.036 1.00 0.00 N ATOM 66 CA GLU A 259 13.610 -0.040 -0.271 1.00 0.00 C ATOM 67 C GLU A 259 13.186 -1.405 -0.809 1.00 0.00 C ATOM 68 O GLU A 259 12.107 -1.899 -0.479 1.00 0.00 O ATOM 69 CB GLU A 259 13.240 1.057 -1.277 1.00 0.00 C ATOM 70 CG GLU A 259 13.792 0.846 -2.684 1.00 0.00 C ATOM 71 CD GLU A 259 15.304 0.967 -2.767 1.00 0.00 C ATOM 72 OE1 GLU A 259 16.005 0.074 -2.250 1.00 0.00 O ATOM 73 OE2 GLU A 259 15.786 1.960 -3.351 1.00 0.00 O ATOM 0 HA GLU A 259 13.074 0.130 0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 259 12.154 1.127 -1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 259 13.601 2.014 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 259 13.495 -0.141 -3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 259 13.340 1.575 -3.356 1.00 0.00 H new ATOM 80 N GLU A 260 14.027 -2.007 -1.642 1.00 0.00 N ATOM 81 CA GLU A 260 13.722 -3.309 -2.226 1.00 0.00 C ATOM 82 C GLU A 260 13.523 -4.370 -1.147 1.00 0.00 C ATOM 83 O GLU A 260 12.626 -5.208 -1.248 1.00 0.00 O ATOM 84 CB GLU A 260 14.838 -3.735 -3.180 1.00 0.00 C ATOM 85 CG GLU A 260 14.571 -5.060 -3.875 1.00 0.00 C ATOM 86 CD GLU A 260 15.688 -5.456 -4.819 1.00 0.00 C ATOM 87 OE1 GLU A 260 15.959 -4.695 -5.772 1.00 0.00 O ATOM 88 OE2 GLU A 260 16.294 -6.527 -4.605 1.00 0.00 O ATOM 0 H GLU A 260 14.924 -1.616 -1.928 1.00 0.00 H new ATOM 0 HA GLU A 260 12.790 -3.215 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 260 14.976 -2.960 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 260 15.772 -3.808 -2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 260 14.440 -5.840 -3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 260 13.636 -4.993 -4.431 1.00 0.00 H new ATOM 95 N GLU A 261 14.366 -4.335 -0.119 1.00 0.00 N ATOM 96 CA GLU A 261 14.281 -5.300 0.974 1.00 0.00 C ATOM 97 C GLU A 261 12.941 -5.197 1.699 1.00 0.00 C ATOM 98 O GLU A 261 12.242 -6.195 1.881 1.00 0.00 O ATOM 99 CB GLU A 261 15.426 -5.078 1.965 1.00 0.00 C ATOM 100 CG GLU A 261 15.431 -6.064 3.123 1.00 0.00 C ATOM 101 CD GLU A 261 16.572 -5.819 4.090 1.00 0.00 C ATOM 102 OE1 GLU A 261 16.641 -4.708 4.657 1.00 0.00 O ATOM 103 OE2 GLU A 261 17.398 -6.737 4.280 1.00 0.00 O ATOM 0 H GLU A 261 15.115 -3.650 -0.019 1.00 0.00 H new ATOM 0 HA GLU A 261 14.362 -6.299 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 261 16.375 -5.151 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 261 15.360 -4.065 2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 261 14.484 -5.995 3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 261 15.503 -7.079 2.731 1.00 0.00 H new ATOM 110 N LEU A 262 12.586 -3.986 2.112 1.00 0.00 N ATOM 111 CA LEU A 262 11.330 -3.759 2.818 1.00 0.00 C ATOM 112 C LEU A 262 10.136 -4.146 1.953 1.00 0.00 C ATOM 113 O LEU A 262 9.133 -4.651 2.457 1.00 0.00 O ATOM 114 CB LEU A 262 11.207 -2.295 3.258 1.00 0.00 C ATOM 115 CG LEU A 262 12.072 -1.885 4.458 1.00 0.00 C ATOM 116 CD1 LEU A 262 11.753 -2.746 5.672 1.00 0.00 C ATOM 117 CD2 LEU A 262 13.552 -1.973 4.120 1.00 0.00 C ATOM 0 H LEU A 262 13.149 -3.147 1.971 1.00 0.00 H new ATOM 0 HA LEU A 262 11.333 -4.392 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 262 11.466 -1.658 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 262 10.163 -2.094 3.500 1.00 0.00 H new ATOM 0 HG LEU A 262 11.839 -0.848 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 262 12.378 -2.438 6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 262 10.703 -2.625 5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 262 11.950 -3.792 5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 262 14.142 -1.677 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 262 13.802 -2.997 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 262 13.775 -1.308 3.286 1.00 0.00 H new ATOM 129 N ILE A 263 10.242 -3.897 0.650 1.00 0.00 N ATOM 130 CA ILE A 263 9.160 -4.214 -0.273 1.00 0.00 C ATOM 131 C ILE A 263 8.912 -5.716 -0.366 1.00 0.00 C ATOM 132 O ILE A 263 7.773 -6.159 -0.229 1.00 0.00 O ATOM 133 CB ILE A 263 9.411 -3.607 -1.673 1.00 0.00 C ATOM 134 CG1 ILE A 263 8.532 -2.374 -1.840 1.00 0.00 C ATOM 135 CG2 ILE A 263 9.139 -4.616 -2.785 1.00 0.00 C ATOM 136 CD1 ILE A 263 8.886 -1.510 -3.023 1.00 0.00 C ATOM 0 H ILE A 263 11.063 -3.479 0.213 1.00 0.00 H new ATOM 0 HA ILE A 263 8.257 -3.758 0.132 1.00 0.00 H new ATOM 0 HB ILE A 263 10.462 -3.327 -1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 263 7.494 -2.693 -1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 263 8.597 -1.772 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 263 9.327 -4.151 -3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 263 9.795 -5.478 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 263 8.100 -4.942 -2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 263 8.210 -0.656 -3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 263 9.912 -1.156 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 263 8.792 -2.092 -3.940 1.00 0.00 H new ATOM 148 N ARG A 264 9.964 -6.502 -0.586 1.00 0.00 N ATOM 149 CA ARG A 264 9.795 -7.946 -0.674 1.00 0.00 C ATOM 150 C ARG A 264 9.221 -8.471 0.632 1.00 0.00 C ATOM 151 O ARG A 264 8.367 -9.356 0.631 1.00 0.00 O ATOM 152 CB ARG A 264 11.105 -8.651 -1.010 1.00 0.00 C ATOM 153 CG ARG A 264 12.204 -8.435 0.015 1.00 0.00 C ATOM 154 CD ARG A 264 13.490 -9.138 -0.386 1.00 0.00 C ATOM 155 NE ARG A 264 13.309 -10.581 -0.512 1.00 0.00 N ATOM 156 CZ ARG A 264 14.289 -11.422 -0.831 1.00 0.00 C ATOM 157 NH1 ARG A 264 15.514 -10.965 -1.054 1.00 0.00 N ATOM 158 NH2 ARG A 264 14.045 -12.720 -0.925 1.00 0.00 N ATOM 0 H ARG A 264 10.921 -6.171 -0.704 1.00 0.00 H new ATOM 0 HA ARG A 264 9.101 -8.160 -1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 264 10.916 -9.720 -1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 264 11.455 -8.302 -1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 264 12.392 -7.367 0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 264 11.874 -8.805 0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 264 13.844 -8.733 -1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 264 14.262 -8.933 0.356 1.00 0.00 H new ATOM 0 HE ARG A 264 12.379 -10.966 -0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 264 15.707 -9.966 -0.981 1.00 0.00 H new ATOM 0 HH12 ARG A 264 16.263 -11.613 -1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 264 13.105 -13.076 -0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 264 14.797 -13.364 -1.170 1.00 0.00 H new ATOM 172 N LYS A 265 9.663 -7.890 1.746 1.00 0.00 N ATOM 173 CA LYS A 265 9.143 -8.281 3.048 1.00 0.00 C ATOM 174 C LYS A 265 7.635 -8.082 3.036 1.00 0.00 C ATOM 175 O LYS A 265 6.869 -8.942 3.476 1.00 0.00 O ATOM 176 CB LYS A 265 9.781 -7.445 4.158 1.00 0.00 C ATOM 177 CG LYS A 265 11.272 -7.696 4.330 1.00 0.00 C ATOM 178 CD LYS A 265 11.884 -6.788 5.388 1.00 0.00 C ATOM 179 CE LYS A 265 11.261 -7.018 6.758 1.00 0.00 C ATOM 180 NZ LYS A 265 11.432 -8.424 7.217 1.00 0.00 N ATOM 0 H LYS A 265 10.371 -7.156 1.771 1.00 0.00 H new ATOM 0 HA LYS A 265 9.383 -9.326 3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 265 9.621 -6.388 3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 265 9.274 -7.659 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 265 11.435 -8.737 4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 265 11.779 -7.537 3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 265 12.958 -6.966 5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 265 11.747 -5.747 5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 265 11.716 -6.342 7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 265 10.199 -6.775 6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 11.181 -8.493 8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 10.812 -9.048 6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 12.422 -8.714 7.086 1.00 0.00 H new ATOM 194 N ALA A 266 7.224 -6.945 2.480 1.00 0.00 N ATOM 195 CA ALA A 266 5.815 -6.617 2.348 1.00 0.00 C ATOM 196 C ALA A 266 5.148 -7.611 1.406 1.00 0.00 C ATOM 197 O ALA A 266 3.972 -7.942 1.560 1.00 0.00 O ATOM 198 CB ALA A 266 5.647 -5.191 1.832 1.00 0.00 C ATOM 0 H ALA A 266 7.856 -6.233 2.112 1.00 0.00 H new ATOM 0 HA ALA A 266 5.338 -6.681 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 266 4.586 -4.961 1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 266 6.109 -4.494 2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 266 6.126 -5.098 0.857 1.00 0.00 H new ATOM 204 N ILE A 267 5.922 -8.088 0.430 1.00 0.00 N ATOM 205 CA ILE A 267 5.428 -9.051 -0.543 1.00 0.00 C ATOM 206 C ILE A 267 5.052 -10.366 0.133 1.00 0.00 C ATOM 207 O ILE A 267 3.988 -10.927 -0.128 1.00 0.00 O ATOM 208 CB ILE A 267 6.467 -9.322 -1.654 1.00 0.00 C ATOM 209 CG1 ILE A 267 6.766 -8.037 -2.432 1.00 0.00 C ATOM 210 CG2 ILE A 267 5.974 -10.414 -2.595 1.00 0.00 C ATOM 211 CD1 ILE A 267 5.545 -7.413 -3.079 1.00 0.00 C ATOM 0 H ILE A 267 6.897 -7.819 0.296 1.00 0.00 H new ATOM 0 HA ILE A 267 4.539 -8.615 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 267 7.390 -9.665 -1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 267 7.218 -7.311 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 267 7.503 -8.255 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 267 6.720 -10.590 -3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 267 5.812 -11.333 -2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 267 5.038 -10.101 -3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 267 5.838 -6.508 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 267 5.104 -8.120 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 267 4.814 -7.162 -2.310 1.00 0.00 H new ATOM 223 N GLU A 268 5.930 -10.850 1.007 1.00 0.00 N ATOM 224 CA GLU A 268 5.688 -12.096 1.723 1.00 0.00 C ATOM 225 C GLU A 268 4.485 -11.965 2.651 1.00 0.00 C ATOM 226 O GLU A 268 3.640 -12.859 2.716 1.00 0.00 O ATOM 227 CB GLU A 268 6.924 -12.501 2.529 1.00 0.00 C ATOM 228 CG GLU A 268 6.749 -13.802 3.295 1.00 0.00 C ATOM 229 CD GLU A 268 7.988 -14.191 4.078 1.00 0.00 C ATOM 230 OE1 GLU A 268 8.406 -13.407 4.956 1.00 0.00 O ATOM 231 OE2 GLU A 268 8.538 -15.281 3.815 1.00 0.00 O ATOM 0 H GLU A 268 6.815 -10.397 1.236 1.00 0.00 H new ATOM 0 HA GLU A 268 5.476 -12.870 0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 268 7.773 -12.598 1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 268 7.166 -11.704 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 268 5.907 -13.705 3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 268 6.501 -14.600 2.595 1.00 0.00 H new ATOM 238 N LEU A 269 4.416 -10.848 3.370 1.00 0.00 N ATOM 239 CA LEU A 269 3.316 -10.603 4.298 1.00 0.00 C ATOM 240 C LEU A 269 1.972 -10.628 3.576 1.00 0.00 C ATOM 241 O LEU A 269 1.013 -11.236 4.052 1.00 0.00 O ATOM 242 CB LEU A 269 3.502 -9.256 5.000 1.00 0.00 C ATOM 243 CG LEU A 269 4.808 -9.101 5.782 1.00 0.00 C ATOM 244 CD1 LEU A 269 4.890 -7.718 6.409 1.00 0.00 C ATOM 245 CD2 LEU A 269 4.926 -10.181 6.848 1.00 0.00 C ATOM 0 H LEU A 269 5.107 -10.099 3.328 1.00 0.00 H new ATOM 0 HA LEU A 269 3.323 -11.400 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 269 3.450 -8.465 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 269 2.668 -9.103 5.685 1.00 0.00 H new ATOM 0 HG LEU A 269 5.641 -9.215 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 269 5.825 -7.624 6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 269 4.854 -6.961 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 269 4.050 -7.577 7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 269 5.861 -10.054 7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 269 4.088 -10.101 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 269 4.913 -11.163 6.374 1.00 0.00 H new ATOM 257 N SER A 270 1.908 -9.960 2.428 1.00 0.00 N ATOM 258 CA SER A 270 0.679 -9.903 1.644 1.00 0.00 C ATOM 259 C SER A 270 0.275 -11.289 1.151 1.00 0.00 C ATOM 260 O SER A 270 -0.897 -11.658 1.207 1.00 0.00 O ATOM 261 CB SER A 270 0.849 -8.954 0.455 1.00 0.00 C ATOM 262 OG SER A 270 1.873 -9.402 -0.415 1.00 0.00 O ATOM 0 H SER A 270 2.692 -9.451 2.020 1.00 0.00 H new ATOM 0 HA SER A 270 -0.113 -9.526 2.291 1.00 0.00 H new ATOM 0 HB2 SER A 270 -0.091 -8.881 -0.092 1.00 0.00 H new ATOM 0 HB3 SER A 270 1.087 -7.953 0.816 1.00 0.00 H new ATOM 0 HG SER A 270 2.533 -9.917 0.094 1.00 0.00 H new ATOM 268 N LEU A 271 1.251 -12.052 0.664 1.00 0.00 N ATOM 269 CA LEU A 271 0.988 -13.397 0.160 1.00 0.00 C ATOM 270 C LEU A 271 0.400 -14.290 1.249 1.00 0.00 C ATOM 271 O LEU A 271 -0.563 -15.019 1.010 1.00 0.00 O ATOM 272 CB LEU A 271 2.271 -14.021 -0.396 1.00 0.00 C ATOM 273 CG LEU A 271 2.858 -13.319 -1.623 1.00 0.00 C ATOM 274 CD1 LEU A 271 4.142 -14.004 -2.065 1.00 0.00 C ATOM 275 CD2 LEU A 271 1.847 -13.293 -2.761 1.00 0.00 C ATOM 0 H LEU A 271 2.228 -11.763 0.608 1.00 0.00 H new ATOM 0 HA LEU A 271 0.257 -13.314 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 271 3.023 -14.029 0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 271 2.068 -15.060 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 271 3.093 -12.290 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 271 4.546 -13.492 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 271 4.871 -13.969 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 271 3.931 -15.043 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 271 2.283 -12.790 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 271 1.579 -14.314 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 271 0.953 -12.757 -2.442 1.00 0.00 H new ATOM 287 N LYS A 272 0.980 -14.229 2.445 1.00 0.00 N ATOM 288 CA LYS A 272 0.503 -15.036 3.563 1.00 0.00 C ATOM 289 C LYS A 272 -0.952 -14.714 3.883 1.00 0.00 C ATOM 290 O LYS A 272 -1.759 -15.613 4.110 1.00 0.00 O ATOM 291 CB LYS A 272 1.371 -14.809 4.803 1.00 0.00 C ATOM 292 CG LYS A 272 2.818 -15.244 4.628 1.00 0.00 C ATOM 293 CD LYS A 272 2.923 -16.727 4.307 1.00 0.00 C ATOM 294 CE LYS A 272 4.371 -17.184 4.248 1.00 0.00 C ATOM 295 NZ LYS A 272 5.053 -17.032 5.563 1.00 0.00 N ATOM 0 H LYS A 272 1.777 -13.632 2.664 1.00 0.00 H new ATOM 0 HA LYS A 272 0.573 -16.084 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 272 1.348 -13.750 5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 272 0.937 -15.352 5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 272 3.278 -14.665 3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 272 3.376 -15.028 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 272 2.390 -17.303 5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 272 2.438 -16.929 3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 272 4.410 -18.228 3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 272 4.904 -16.606 3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 5.930 -17.590 5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 5.280 -16.030 5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 4.426 -17.370 6.321 1.00 0.00 H new ATOM 396 N MET B 1 -16.248 2.480 2.932 1.00 0.00 N ATOM 397 CA MET B 1 -15.003 1.674 2.839 1.00 0.00 C ATOM 398 C MET B 1 -13.976 2.115 3.875 1.00 0.00 C ATOM 399 O MET B 1 -13.802 3.308 4.126 1.00 0.00 O ATOM 400 CB MET B 1 -14.427 1.823 1.429 1.00 0.00 C ATOM 401 CG MET B 1 -15.318 1.240 0.344 1.00 0.00 C ATOM 402 SD MET B 1 -15.607 -0.528 0.563 1.00 0.00 S ATOM 403 CE MET B 1 -13.930 -1.154 0.502 1.00 0.00 C ATOM 0 H1 MET B 1 -16.995 2.032 2.363 1.00 0.00 H new ATOM 0 H2 MET B 1 -16.554 2.533 3.925 1.00 0.00 H new ATOM 0 H3 MET B 1 -16.068 3.439 2.573 1.00 0.00 H new ATOM 0 HA MET B 1 -15.242 0.630 3.040 1.00 0.00 H new ATOM 0 HB2 MET B 1 -14.262 2.880 1.223 1.00 0.00 H new ATOM 0 HB3 MET B 1 -13.453 1.335 1.390 1.00 0.00 H new ATOM 0 HG2 MET B 1 -16.274 1.764 0.343 1.00 0.00 H new ATOM 0 HG3 MET B 1 -14.859 1.412 -0.630 1.00 0.00 H new ATOM 0 HE1 MET B 1 -13.921 -2.121 -0.001 1.00 0.00 H new ATOM 0 HE2 MET B 1 -13.300 -0.454 -0.046 1.00 0.00 H new ATOM 0 HE3 MET B 1 -13.547 -1.269 1.516 1.00 0.00 H new ATOM 415 N GLN B 2 -13.296 1.141 4.473 1.00 0.00 N ATOM 416 CA GLN B 2 -12.284 1.423 5.484 1.00 0.00 C ATOM 417 C GLN B 2 -11.062 0.535 5.277 1.00 0.00 C ATOM 418 O GLN B 2 -11.189 -0.653 4.989 1.00 0.00 O ATOM 419 CB GLN B 2 -12.863 1.209 6.884 1.00 0.00 C ATOM 420 CG GLN B 2 -11.903 1.568 8.006 1.00 0.00 C ATOM 421 CD GLN B 2 -12.511 1.353 9.379 1.00 0.00 C ATOM 422 OE1 GLN B 2 -12.861 0.232 9.747 1.00 0.00 O ATOM 423 NE2 GLN B 2 -12.646 2.432 10.141 1.00 0.00 N ATOM 0 H GLN B 2 -13.428 0.149 4.274 1.00 0.00 H new ATOM 0 HA GLN B 2 -11.976 2.464 5.386 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -13.768 1.807 6.988 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -13.157 0.165 6.990 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -10.999 0.966 7.914 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -11.603 2.611 7.904 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -12.342 3.342 9.795 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -13.054 2.351 11.072 1.00 0.00 H new ATOM 432 N ILE B 3 -9.878 1.124 5.415 1.00 0.00 N ATOM 433 CA ILE B 3 -8.629 0.393 5.233 1.00 0.00 C ATOM 434 C ILE B 3 -7.528 0.957 6.125 1.00 0.00 C ATOM 435 O ILE B 3 -7.429 2.172 6.309 1.00 0.00 O ATOM 436 CB ILE B 3 -8.155 0.447 3.765 1.00 0.00 C ATOM 437 CG1 ILE B 3 -8.008 1.902 3.310 1.00 0.00 C ATOM 438 CG2 ILE B 3 -9.123 -0.308 2.863 1.00 0.00 C ATOM 439 CD1 ILE B 3 -7.516 2.054 1.885 1.00 0.00 C ATOM 0 H ILE B 3 -9.758 2.109 5.653 1.00 0.00 H new ATOM 0 HA ILE B 3 -8.826 -0.643 5.509 1.00 0.00 H new ATOM 0 HB ILE B 3 -7.180 -0.036 3.694 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -8.972 2.401 3.406 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -7.316 2.413 3.979 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -8.773 -0.259 1.832 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -9.177 -1.350 3.179 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -10.112 0.144 2.932 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -7.438 3.113 1.638 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -6.537 1.585 1.786 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -8.219 1.573 1.204 1.00 0.00 H new ATOM 451 N PHE B 4 -6.701 0.071 6.677 1.00 0.00 N ATOM 452 CA PHE B 4 -5.606 0.496 7.545 1.00 0.00 C ATOM 453 C PHE B 4 -4.278 0.529 6.801 1.00 0.00 C ATOM 454 O PHE B 4 -3.873 -0.456 6.186 1.00 0.00 O ATOM 455 CB PHE B 4 -5.476 -0.422 8.763 1.00 0.00 C ATOM 456 CG PHE B 4 -6.309 0.002 9.937 1.00 0.00 C ATOM 457 CD1 PHE B 4 -5.794 0.884 10.874 1.00 0.00 C ATOM 458 CD2 PHE B 4 -7.597 -0.477 10.108 1.00 0.00 C ATOM 459 CE1 PHE B 4 -6.547 1.281 11.960 1.00 0.00 C ATOM 460 CE2 PHE B 4 -8.357 -0.084 11.194 1.00 0.00 C ATOM 461 CZ PHE B 4 -7.831 0.795 12.121 1.00 0.00 C ATOM 0 H PHE B 4 -6.768 -0.938 6.540 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.847 1.505 7.879 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -5.761 -1.434 8.475 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -4.430 -0.460 9.067 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -4.791 1.265 10.753 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -8.012 -1.164 9.386 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -6.134 1.970 12.682 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -9.361 -0.464 11.318 1.00 0.00 H new ATOM 0 HZ PHE B 4 -8.423 1.102 12.971 1.00 0.00 H new ATOM 471 N VAL B 5 -3.591 1.663 6.887 1.00 0.00 N ATOM 472 CA VAL B 5 -2.293 1.820 6.250 1.00 0.00 C ATOM 473 C VAL B 5 -1.193 1.319 7.180 1.00 0.00 C ATOM 474 O VAL B 5 -1.190 1.632 8.374 1.00 0.00 O ATOM 475 CB VAL B 5 -2.021 3.288 5.869 1.00 0.00 C ATOM 476 CG1 VAL B 5 -0.650 3.430 5.224 1.00 0.00 C ATOM 477 CG2 VAL B 5 -3.109 3.805 4.939 1.00 0.00 C ATOM 0 H VAL B 5 -3.914 2.487 7.393 1.00 0.00 H new ATOM 0 HA VAL B 5 -2.299 1.229 5.334 1.00 0.00 H new ATOM 0 HB VAL B 5 -2.032 3.888 6.779 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -0.477 4.474 4.962 1.00 0.00 H new ATOM 0 HG12 VAL B 5 0.117 3.100 5.924 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -0.607 2.818 4.323 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -2.902 4.843 4.679 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -3.130 3.201 4.032 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -4.075 3.742 5.439 1.00 0.00 H new ATOM 487 N LYS B 6 -0.274 0.530 6.626 1.00 0.00 N ATOM 488 CA LYS B 6 0.830 -0.037 7.398 1.00 0.00 C ATOM 489 C LYS B 6 2.180 0.357 6.812 1.00 0.00 C ATOM 490 O LYS B 6 2.407 0.226 5.609 1.00 0.00 O ATOM 491 CB LYS B 6 0.721 -1.563 7.425 1.00 0.00 C ATOM 492 CG LYS B 6 -0.409 -2.087 8.295 1.00 0.00 C ATOM 493 CD LYS B 6 -0.125 -1.862 9.770 1.00 0.00 C ATOM 494 CE LYS B 6 1.129 -2.597 10.221 1.00 0.00 C ATOM 495 NZ LYS B 6 1.422 -2.365 11.662 1.00 0.00 N ATOM 0 H LYS B 6 -0.273 0.268 5.640 1.00 0.00 H new ATOM 0 HA LYS B 6 0.763 0.360 8.411 1.00 0.00 H new ATOM 0 HB2 LYS B 6 0.579 -1.925 6.407 1.00 0.00 H new ATOM 0 HB3 LYS B 6 1.663 -1.978 7.783 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -1.340 -1.590 8.023 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -0.550 -3.152 8.109 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -0.009 -0.795 9.959 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -0.977 -2.200 10.360 1.00 0.00 H new ATOM 0 HE2 LYS B 6 1.007 -3.665 10.043 1.00 0.00 H new ATOM 0 HE3 LYS B 6 1.978 -2.269 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 2.449 -2.416 11.820 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 1.075 -1.425 11.940 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 0.948 -3.092 12.234 1.00 0.00 H new ATOM 509 N THR B 7 3.081 0.823 7.672 1.00 0.00 N ATOM 510 CA THR B 7 4.418 1.217 7.234 1.00 0.00 C ATOM 511 C THR B 7 5.487 0.388 7.940 1.00 0.00 C ATOM 512 O THR B 7 5.250 -0.147 9.024 1.00 0.00 O ATOM 513 CB THR B 7 4.690 2.711 7.488 1.00 0.00 C ATOM 514 OG1 THR B 7 4.635 2.988 8.891 1.00 0.00 O ATOM 515 CG2 THR B 7 3.678 3.578 6.754 1.00 0.00 C ATOM 0 H THR B 7 2.912 0.937 8.671 1.00 0.00 H new ATOM 0 HA THR B 7 4.462 1.035 6.160 1.00 0.00 H new ATOM 0 HB THR B 7 5.686 2.945 7.111 1.00 0.00 H new ATOM 0 HG1 THR B 7 4.965 3.895 9.058 1.00 0.00 H new ATOM 0 HG21 THR B 7 3.890 4.629 6.949 1.00 0.00 H new ATOM 0 HG22 THR B 7 3.744 3.387 5.683 1.00 0.00 H new ATOM 0 HG23 THR B 7 2.673 3.340 7.104 1.00 0.00 H new ATOM 563 N LYS B 11 3.784 1.473 12.233 1.00 0.00 N ATOM 564 CA LYS B 11 2.735 2.484 12.137 1.00 0.00 C ATOM 565 C LYS B 11 1.501 1.935 11.425 1.00 0.00 C ATOM 566 O LYS B 11 1.608 1.255 10.399 1.00 0.00 O ATOM 567 CB LYS B 11 3.247 3.724 11.401 1.00 0.00 C ATOM 568 CG LYS B 11 2.299 4.912 11.476 1.00 0.00 C ATOM 569 CD LYS B 11 2.089 5.369 12.910 1.00 0.00 C ATOM 570 CE LYS B 11 1.128 6.545 12.988 1.00 0.00 C ATOM 571 NZ LYS B 11 1.619 7.718 12.213 1.00 0.00 N ATOM 0 HA LYS B 11 2.453 2.762 13.152 1.00 0.00 H new ATOM 0 HB2 LYS B 11 4.211 4.012 11.820 1.00 0.00 H new ATOM 0 HB3 LYS B 11 3.417 3.471 10.354 1.00 0.00 H new ATOM 0 HG2 LYS B 11 2.700 5.736 10.886 1.00 0.00 H new ATOM 0 HG3 LYS B 11 1.340 4.641 11.035 1.00 0.00 H new ATOM 0 HD2 LYS B 11 1.701 4.541 13.503 1.00 0.00 H new ATOM 0 HD3 LYS B 11 3.047 5.652 13.346 1.00 0.00 H new ATOM 0 HE2 LYS B 11 0.152 6.242 12.608 1.00 0.00 H new ATOM 0 HE3 LYS B 11 0.989 6.831 14.030 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 1.378 8.594 12.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 2.651 7.654 12.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 1.171 7.726 11.274 1.00 0.00 H new ATOM 585 N THR B 12 0.333 2.246 11.985 1.00 0.00 N ATOM 586 CA THR B 12 -0.944 1.802 11.433 1.00 0.00 C ATOM 587 C THR B 12 -1.999 2.891 11.611 1.00 0.00 C ATOM 588 O THR B 12 -2.112 3.473 12.690 1.00 0.00 O ATOM 589 CB THR B 12 -1.435 0.524 12.138 1.00 0.00 C ATOM 590 OG1 THR B 12 -0.364 -0.418 12.249 1.00 0.00 O ATOM 591 CG2 THR B 12 -2.591 -0.105 11.376 1.00 0.00 C ATOM 0 H THR B 12 0.246 2.810 12.830 1.00 0.00 H new ATOM 0 HA THR B 12 -0.793 1.594 10.374 1.00 0.00 H new ATOM 0 HB THR B 12 -1.782 0.798 13.134 1.00 0.00 H new ATOM 0 HG1 THR B 12 -0.685 -1.227 12.700 1.00 0.00 H new ATOM 0 HG21 THR B 12 -2.920 -1.006 11.893 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.417 0.603 11.319 1.00 0.00 H new ATOM 0 HG23 THR B 12 -2.265 -0.364 10.369 1.00 0.00 H new ATOM 599 N ILE B 13 -2.762 3.180 10.555 1.00 0.00 N ATOM 600 CA ILE B 13 -3.788 4.225 10.639 1.00 0.00 C ATOM 601 C ILE B 13 -5.010 3.939 9.769 1.00 0.00 C ATOM 602 O ILE B 13 -4.893 3.454 8.645 1.00 0.00 O ATOM 603 CB ILE B 13 -3.212 5.603 10.247 1.00 0.00 C ATOM 604 CG1 ILE B 13 -2.231 6.088 11.315 1.00 0.00 C ATOM 605 CG2 ILE B 13 -4.331 6.618 10.037 1.00 0.00 C ATOM 606 CD1 ILE B 13 -1.626 7.438 11.014 1.00 0.00 C ATOM 0 H ILE B 13 -2.693 2.717 9.649 1.00 0.00 H new ATOM 0 HA ILE B 13 -4.110 4.234 11.680 1.00 0.00 H new ATOM 0 HB ILE B 13 -2.674 5.499 9.305 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.746 6.136 12.274 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -1.430 5.356 11.420 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -3.902 7.581 9.762 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -4.990 6.273 9.240 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -4.902 6.726 10.959 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -0.941 7.716 11.815 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -1.082 7.391 10.071 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -2.418 8.183 10.939 1.00 0.00 H new ATOM 618 N THR B 14 -6.185 4.272 10.304 1.00 0.00 N ATOM 619 CA THR B 14 -7.445 4.087 9.595 1.00 0.00 C ATOM 620 C THR B 14 -7.539 5.043 8.411 1.00 0.00 C ATOM 621 O THR B 14 -7.056 6.173 8.481 1.00 0.00 O ATOM 622 CB THR B 14 -8.655 4.343 10.517 1.00 0.00 C ATOM 623 OG1 THR B 14 -8.549 3.556 11.707 1.00 0.00 O ATOM 624 CG2 THR B 14 -9.958 4.016 9.803 1.00 0.00 C ATOM 0 H THR B 14 -6.287 4.675 11.235 1.00 0.00 H new ATOM 0 HA THR B 14 -7.466 3.053 9.249 1.00 0.00 H new ATOM 0 HB THR B 14 -8.657 5.400 10.784 1.00 0.00 H new ATOM 0 HG1 THR B 14 -8.010 2.758 11.525 1.00 0.00 H new ATOM 0 HG21 THR B 14 -10.797 4.204 10.473 1.00 0.00 H new ATOM 0 HG22 THR B 14 -10.054 4.642 8.916 1.00 0.00 H new ATOM 0 HG23 THR B 14 -9.958 2.967 9.508 1.00 0.00 H new ATOM 632 N LEU B 15 -8.170 4.597 7.331 1.00 0.00 N ATOM 633 CA LEU B 15 -8.326 5.436 6.151 1.00 0.00 C ATOM 634 C LEU B 15 -9.642 5.121 5.451 1.00 0.00 C ATOM 635 O LEU B 15 -9.853 4.008 4.970 1.00 0.00 O ATOM 636 CB LEU B 15 -7.147 5.227 5.195 1.00 0.00 C ATOM 637 CG LEU B 15 -6.853 6.388 4.235 1.00 0.00 C ATOM 638 CD1 LEU B 15 -5.690 6.035 3.324 1.00 0.00 C ATOM 639 CD2 LEU B 15 -8.079 6.747 3.410 1.00 0.00 C ATOM 0 H LEU B 15 -8.579 3.666 7.249 1.00 0.00 H new ATOM 0 HA LEU B 15 -8.341 6.481 6.461 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -6.253 5.035 5.788 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -7.337 4.331 4.604 1.00 0.00 H new ATOM 0 HG LEU B 15 -6.585 7.259 4.833 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -5.492 6.867 2.648 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -4.803 5.837 3.926 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -5.939 5.147 2.743 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -7.838 7.573 2.740 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.389 5.882 2.823 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.890 7.044 4.074 1.00 0.00 H new ATOM 651 N GLU B 16 -10.525 6.113 5.403 1.00 0.00 N ATOM 652 CA GLU B 16 -11.828 5.953 4.770 1.00 0.00 C ATOM 653 C GLU B 16 -11.772 6.313 3.289 1.00 0.00 C ATOM 654 O GLU B 16 -11.202 7.335 2.907 1.00 0.00 O ATOM 655 CB GLU B 16 -12.872 6.820 5.477 1.00 0.00 C ATOM 656 CG GLU B 16 -14.264 6.682 4.907 1.00 0.00 C ATOM 657 CD GLU B 16 -15.285 7.539 5.630 1.00 0.00 C ATOM 658 OE1 GLU B 16 -15.110 8.775 5.657 1.00 0.00 O ATOM 659 OE2 GLU B 16 -16.261 6.974 6.167 1.00 0.00 O ATOM 0 H GLU B 16 -10.360 7.039 5.797 1.00 0.00 H new ATOM 0 HA GLU B 16 -12.114 4.905 4.856 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.894 6.556 6.534 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.566 7.864 5.415 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -14.248 6.957 3.852 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -14.571 5.637 4.960 1.00 0.00 H new ATOM 666 N VAL B 17 -12.381 5.469 2.464 1.00 0.00 N ATOM 667 CA VAL B 17 -12.421 5.690 1.021 1.00 0.00 C ATOM 668 C VAL B 17 -13.704 5.122 0.421 1.00 0.00 C ATOM 669 O VAL B 17 -14.705 4.956 1.119 1.00 0.00 O ATOM 670 CB VAL B 17 -11.207 5.053 0.309 1.00 0.00 C ATOM 671 CG1 VAL B 17 -9.920 5.781 0.666 1.00 0.00 C ATOM 672 CG2 VAL B 17 -11.100 3.575 0.652 1.00 0.00 C ATOM 0 H VAL B 17 -12.857 4.620 2.771 1.00 0.00 H new ATOM 0 HA VAL B 17 -12.389 6.769 0.867 1.00 0.00 H new ATOM 0 HB VAL B 17 -11.359 5.147 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -9.082 5.312 0.151 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -9.995 6.825 0.360 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -9.759 5.729 1.743 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -10.239 3.144 0.141 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -10.978 3.459 1.729 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -12.006 3.061 0.332 1.00 0.00 H new ATOM 682 N GLU B 18 -13.666 4.822 -0.874 1.00 0.00 N ATOM 683 CA GLU B 18 -14.820 4.269 -1.575 1.00 0.00 C ATOM 684 C GLU B 18 -14.367 3.390 -2.733 1.00 0.00 C ATOM 685 O GLU B 18 -13.369 3.686 -3.392 1.00 0.00 O ATOM 686 CB GLU B 18 -15.725 5.386 -2.106 1.00 0.00 C ATOM 687 CG GLU B 18 -16.322 6.267 -1.021 1.00 0.00 C ATOM 688 CD GLU B 18 -17.204 7.365 -1.582 1.00 0.00 C ATOM 689 OE1 GLU B 18 -16.693 8.197 -2.362 1.00 0.00 O ATOM 690 OE2 GLU B 18 -18.405 7.393 -1.242 1.00 0.00 O ATOM 0 H GLU B 18 -12.843 4.954 -1.462 1.00 0.00 H new ATOM 0 HA GLU B 18 -15.385 3.667 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -15.151 6.010 -2.791 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -16.535 4.940 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -16.906 5.650 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -15.517 6.715 -0.438 1.00 0.00 H new ATOM 697 N SER B 19 -15.102 2.309 -2.971 1.00 0.00 N ATOM 698 CA SER B 19 -14.776 1.382 -4.048 1.00 0.00 C ATOM 699 C SER B 19 -14.566 2.125 -5.365 1.00 0.00 C ATOM 700 O SER B 19 -13.685 1.777 -6.152 1.00 0.00 O ATOM 701 CB SER B 19 -15.889 0.343 -4.205 1.00 0.00 C ATOM 702 OG SER B 19 -17.129 0.964 -4.497 1.00 0.00 O ATOM 0 H SER B 19 -15.929 2.053 -2.431 1.00 0.00 H new ATOM 0 HA SER B 19 -13.847 0.875 -3.789 1.00 0.00 H new ATOM 0 HB2 SER B 19 -15.631 -0.353 -5.003 1.00 0.00 H new ATOM 0 HB3 SER B 19 -15.978 -0.241 -3.289 1.00 0.00 H new ATOM 0 HG SER B 19 -17.823 0.279 -4.594 1.00 0.00 H new ATOM 708 N SER B 20 -15.381 3.150 -5.596 1.00 0.00 N ATOM 709 CA SER B 20 -15.289 3.945 -6.816 1.00 0.00 C ATOM 710 C SER B 20 -13.954 4.683 -6.901 1.00 0.00 C ATOM 711 O SER B 20 -13.321 4.715 -7.957 1.00 0.00 O ATOM 712 CB SER B 20 -16.439 4.951 -6.880 1.00 0.00 C ATOM 713 OG SER B 20 -16.374 5.729 -8.063 1.00 0.00 O ATOM 0 H SER B 20 -16.114 3.450 -4.953 1.00 0.00 H new ATOM 0 HA SER B 20 -15.356 3.262 -7.663 1.00 0.00 H new ATOM 0 HB2 SER B 20 -17.391 4.422 -6.841 1.00 0.00 H new ATOM 0 HB3 SER B 20 -16.402 5.605 -6.009 1.00 0.00 H new ATOM 0 HG SER B 20 -17.121 6.363 -8.079 1.00 0.00 H new ATOM 719 N ASP B 21 -13.536 5.281 -5.788 1.00 0.00 N ATOM 720 CA ASP B 21 -12.281 6.025 -5.745 1.00 0.00 C ATOM 721 C ASP B 21 -11.100 5.151 -6.155 1.00 0.00 C ATOM 722 O ASP B 21 -10.948 4.026 -5.678 1.00 0.00 O ATOM 723 CB ASP B 21 -12.041 6.598 -4.347 1.00 0.00 C ATOM 724 CG ASP B 21 -13.074 7.639 -3.963 1.00 0.00 C ATOM 725 OD1 ASP B 21 -13.213 8.636 -4.702 1.00 0.00 O ATOM 726 OD2 ASP B 21 -13.738 7.462 -2.921 1.00 0.00 O ATOM 0 H ASP B 21 -14.047 5.265 -4.906 1.00 0.00 H new ATOM 0 HA ASP B 21 -12.364 6.845 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -12.057 5.788 -3.618 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -11.047 7.044 -4.306 1.00 0.00 H new ATOM 731 N THR B 22 -10.265 5.685 -7.043 1.00 0.00 N ATOM 732 CA THR B 22 -9.090 4.970 -7.528 1.00 0.00 C ATOM 733 C THR B 22 -7.950 5.025 -6.515 1.00 0.00 C ATOM 734 O THR B 22 -7.961 5.852 -5.602 1.00 0.00 O ATOM 735 CB THR B 22 -8.596 5.548 -8.866 1.00 0.00 C ATOM 736 OG1 THR B 22 -8.231 6.924 -8.702 1.00 0.00 O ATOM 737 CG2 THR B 22 -9.669 5.429 -9.936 1.00 0.00 C ATOM 0 H THR B 22 -10.383 6.616 -7.443 1.00 0.00 H new ATOM 0 HA THR B 22 -9.392 3.933 -7.674 1.00 0.00 H new ATOM 0 HB THR B 22 -7.724 4.976 -9.182 1.00 0.00 H new ATOM 0 HG1 THR B 22 -8.070 7.327 -9.581 1.00 0.00 H new ATOM 0 HG21 THR B 22 -9.297 5.844 -10.873 1.00 0.00 H new ATOM 0 HG22 THR B 22 -9.924 4.379 -10.080 1.00 0.00 H new ATOM 0 HG23 THR B 22 -10.557 5.978 -9.623 1.00 0.00 H new ATOM 745 N ILE B 23 -6.966 4.143 -6.685 1.00 0.00 N ATOM 746 CA ILE B 23 -5.814 4.097 -5.788 1.00 0.00 C ATOM 747 C ILE B 23 -5.185 5.479 -5.644 1.00 0.00 C ATOM 748 O ILE B 23 -4.755 5.865 -4.557 1.00 0.00 O ATOM 749 CB ILE B 23 -4.742 3.104 -6.289 1.00 0.00 C ATOM 750 CG1 ILE B 23 -5.308 1.680 -6.336 1.00 0.00 C ATOM 751 CG2 ILE B 23 -3.504 3.160 -5.403 1.00 0.00 C ATOM 752 CD1 ILE B 23 -5.724 1.142 -4.983 1.00 0.00 C ATOM 0 H ILE B 23 -6.944 3.452 -7.435 1.00 0.00 H new ATOM 0 HA ILE B 23 -6.179 3.758 -4.818 1.00 0.00 H new ATOM 0 HB ILE B 23 -4.453 3.392 -7.300 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -6.170 1.663 -7.004 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -4.559 1.015 -6.766 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -2.760 2.454 -5.772 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.088 4.167 -5.422 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -3.776 2.899 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -6.114 0.131 -5.098 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -4.861 1.125 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -6.497 1.783 -4.559 1.00 0.00 H new ATOM 764 N ASP B 24 -5.140 6.221 -6.748 1.00 0.00 N ATOM 765 CA ASP B 24 -4.571 7.565 -6.743 1.00 0.00 C ATOM 766 C ASP B 24 -5.273 8.427 -5.699 1.00 0.00 C ATOM 767 O ASP B 24 -4.630 9.172 -4.957 1.00 0.00 O ATOM 768 CB ASP B 24 -4.699 8.204 -8.129 1.00 0.00 C ATOM 769 CG ASP B 24 -4.029 9.563 -8.213 1.00 0.00 C ATOM 770 OD1 ASP B 24 -3.425 9.994 -7.208 1.00 0.00 O ATOM 771 OD2 ASP B 24 -4.105 10.195 -9.288 1.00 0.00 O ATOM 0 H ASP B 24 -5.490 5.914 -7.656 1.00 0.00 H new ATOM 0 HA ASP B 24 -3.513 7.495 -6.489 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -4.258 7.540 -8.873 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -5.755 8.308 -8.380 1.00 0.00 H new ATOM 776 N ASN B 25 -6.597 8.306 -5.638 1.00 0.00 N ATOM 777 CA ASN B 25 -7.389 9.058 -4.674 1.00 0.00 C ATOM 778 C ASN B 25 -6.921 8.746 -3.258 1.00 0.00 C ATOM 779 O ASN B 25 -6.698 9.651 -2.450 1.00 0.00 O ATOM 780 CB ASN B 25 -8.873 8.718 -4.830 1.00 0.00 C ATOM 781 CG ASN B 25 -9.746 9.445 -3.827 1.00 0.00 C ATOM 782 OD1 ASN B 25 -9.606 9.262 -2.619 1.00 0.00 O ATOM 783 ND2 ASN B 25 -10.655 10.274 -4.324 1.00 0.00 N ATOM 0 H ASN B 25 -7.142 7.694 -6.245 1.00 0.00 H new ATOM 0 HA ASN B 25 -7.255 10.123 -4.861 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -9.196 8.973 -5.839 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -9.010 7.643 -4.713 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -11.272 10.790 -3.697 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -10.737 10.396 -5.333 1.00 0.00 H new ATOM 790 N VAL B 26 -6.754 7.457 -2.972 1.00 0.00 N ATOM 791 CA VAL B 26 -6.289 7.022 -1.664 1.00 0.00 C ATOM 792 C VAL B 26 -4.957 7.683 -1.344 1.00 0.00 C ATOM 793 O VAL B 26 -4.716 8.102 -0.213 1.00 0.00 O ATOM 794 CB VAL B 26 -6.129 5.491 -1.599 1.00 0.00 C ATOM 795 CG1 VAL B 26 -5.644 5.060 -0.222 1.00 0.00 C ATOM 796 CG2 VAL B 26 -7.439 4.803 -1.950 1.00 0.00 C ATOM 0 H VAL B 26 -6.934 6.699 -3.630 1.00 0.00 H new ATOM 0 HA VAL B 26 -7.038 7.317 -0.930 1.00 0.00 H new ATOM 0 HB VAL B 26 -5.379 5.192 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -5.537 3.976 -0.197 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -4.680 5.524 -0.014 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -6.367 5.371 0.532 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -7.307 3.722 -1.899 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -8.211 5.108 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -7.739 5.085 -2.959 1.00 0.00 H new ATOM 806 N LYS B 27 -4.103 7.790 -2.359 1.00 0.00 N ATOM 807 CA LYS B 27 -2.801 8.420 -2.198 1.00 0.00 C ATOM 808 C LYS B 27 -2.970 9.868 -1.768 1.00 0.00 C ATOM 809 O LYS B 27 -2.244 10.357 -0.904 1.00 0.00 O ATOM 810 CB LYS B 27 -2.002 8.351 -3.501 1.00 0.00 C ATOM 811 CG LYS B 27 -1.630 6.937 -3.915 1.00 0.00 C ATOM 812 CD LYS B 27 -0.738 6.270 -2.879 1.00 0.00 C ATOM 813 CE LYS B 27 -0.332 4.871 -3.313 1.00 0.00 C ATOM 814 NZ LYS B 27 0.446 4.889 -4.582 1.00 0.00 N ATOM 0 H LYS B 27 -4.292 7.448 -3.301 1.00 0.00 H new ATOM 0 HA LYS B 27 -2.252 7.881 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -2.584 8.812 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -1.091 8.939 -3.390 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -2.536 6.346 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -1.118 6.961 -4.877 1.00 0.00 H new ATOM 0 HD2 LYS B 27 0.154 6.876 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -1.262 6.219 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS B 27 0.264 4.406 -2.528 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -1.224 4.258 -3.442 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 0.984 4.004 -4.672 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -0.206 4.981 -5.387 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 1.104 5.695 -4.575 1.00 0.00 H new ATOM 828 N SER B 28 -3.943 10.547 -2.370 1.00 0.00 N ATOM 829 CA SER B 28 -4.218 11.937 -2.036 1.00 0.00 C ATOM 830 C SER B 28 -4.561 12.058 -0.556 1.00 0.00 C ATOM 831 O SER B 28 -4.057 12.940 0.140 1.00 0.00 O ATOM 832 CB SER B 28 -5.367 12.476 -2.890 1.00 0.00 C ATOM 833 OG SER B 28 -5.051 12.410 -4.270 1.00 0.00 O ATOM 0 H SER B 28 -4.551 10.156 -3.089 1.00 0.00 H new ATOM 0 HA SER B 28 -3.327 12.529 -2.244 1.00 0.00 H new ATOM 0 HB2 SER B 28 -6.272 11.901 -2.693 1.00 0.00 H new ATOM 0 HB3 SER B 28 -5.578 13.508 -2.611 1.00 0.00 H new ATOM 0 HG SER B 28 -4.914 11.475 -4.530 1.00 0.00 H new ATOM 839 N LYS B 29 -5.412 11.151 -0.079 1.00 0.00 N ATOM 840 CA LYS B 29 -5.809 11.142 1.324 1.00 0.00 C ATOM 841 C LYS B 29 -4.602 10.899 2.225 1.00 0.00 C ATOM 842 O LYS B 29 -4.407 11.599 3.219 1.00 0.00 O ATOM 843 CB LYS B 29 -6.869 10.068 1.581 1.00 0.00 C ATOM 844 CG LYS B 29 -8.241 10.408 1.022 1.00 0.00 C ATOM 845 CD LYS B 29 -9.251 9.320 1.349 1.00 0.00 C ATOM 846 CE LYS B 29 -10.668 9.738 0.990 1.00 0.00 C ATOM 847 NZ LYS B 29 -10.819 10.016 -0.463 1.00 0.00 N ATOM 0 H LYS B 29 -5.838 10.416 -0.643 1.00 0.00 H new ATOM 0 HA LYS B 29 -6.233 12.119 1.557 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -6.533 9.128 1.144 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -6.955 9.907 2.656 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -8.580 11.358 1.434 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -8.175 10.535 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -8.993 8.410 0.808 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.200 9.084 2.412 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.363 8.950 1.282 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.938 10.628 1.559 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -11.777 9.751 -0.769 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.666 11.029 -0.640 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.119 9.462 -0.997 1.00 0.00 H new ATOM 861 N ILE B 30 -3.793 9.903 1.870 1.00 0.00 N ATOM 862 CA ILE B 30 -2.604 9.571 2.646 1.00 0.00 C ATOM 863 C ILE B 30 -1.654 10.760 2.714 1.00 0.00 C ATOM 864 O ILE B 30 -1.070 11.042 3.760 1.00 0.00 O ATOM 865 CB ILE B 30 -1.855 8.357 2.054 1.00 0.00 C ATOM 866 CG1 ILE B 30 -2.772 7.132 2.021 1.00 0.00 C ATOM 867 CG2 ILE B 30 -0.600 8.065 2.867 1.00 0.00 C ATOM 868 CD1 ILE B 30 -2.131 5.906 1.404 1.00 0.00 C ATOM 0 H ILE B 30 -3.940 9.313 1.051 1.00 0.00 H new ATOM 0 HA ILE B 30 -2.942 9.315 3.650 1.00 0.00 H new ATOM 0 HB ILE B 30 -1.558 8.592 1.032 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -3.083 6.895 3.038 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -3.674 7.380 1.461 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -0.081 7.207 2.440 1.00 0.00 H new ATOM 0 HG22 ILE B 30 0.057 8.934 2.846 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -0.877 7.845 3.898 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -2.841 5.079 1.416 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -1.845 6.124 0.375 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -1.245 5.632 1.977 1.00 0.00 H new ATOM 880 N GLN B 31 -1.507 11.455 1.592 1.00 0.00 N ATOM 881 CA GLN B 31 -0.633 12.616 1.524 1.00 0.00 C ATOM 882 C GLN B 31 -1.104 13.698 2.489 1.00 0.00 C ATOM 883 O GLN B 31 -0.306 14.293 3.205 1.00 0.00 O ATOM 884 CB GLN B 31 -0.588 13.167 0.097 1.00 0.00 C ATOM 885 CG GLN B 31 0.336 14.365 -0.065 1.00 0.00 C ATOM 886 CD GLN B 31 0.366 14.909 -1.484 1.00 0.00 C ATOM 887 OE1 GLN B 31 1.076 15.872 -1.772 1.00 0.00 O ATOM 888 NE2 GLN B 31 -0.405 14.298 -2.379 1.00 0.00 N ATOM 0 H GLN B 31 -1.983 11.233 0.717 1.00 0.00 H new ATOM 0 HA GLN B 31 0.371 12.306 1.812 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -0.265 12.375 -0.579 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -1.596 13.452 -0.205 1.00 0.00 H new ATOM 0 HG2 GLN B 31 0.018 15.156 0.614 1.00 0.00 H new ATOM 0 HG3 GLN B 31 1.346 14.079 0.229 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -0.979 13.503 -2.099 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -0.422 14.625 -3.345 1.00 0.00 H new ATOM 897 N ASP B 32 -2.407 13.943 2.505 1.00 0.00 N ATOM 898 CA ASP B 32 -2.981 14.951 3.388 1.00 0.00 C ATOM 899 C ASP B 32 -2.743 14.594 4.853 1.00 0.00 C ATOM 900 O ASP B 32 -2.463 15.465 5.678 1.00 0.00 O ATOM 901 CB ASP B 32 -4.482 15.094 3.123 1.00 0.00 C ATOM 902 CG ASP B 32 -5.126 16.156 3.993 1.00 0.00 C ATOM 903 OD1 ASP B 32 -4.698 17.327 3.916 1.00 0.00 O ATOM 904 OD2 ASP B 32 -6.061 15.818 4.749 1.00 0.00 O ATOM 0 H ASP B 32 -3.086 13.459 1.918 1.00 0.00 H new ATOM 0 HA ASP B 32 -2.489 15.901 3.181 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -4.640 15.343 2.074 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -4.972 14.137 3.301 1.00 0.00 H new ATOM 909 N LYS B 33 -2.874 13.310 5.170 1.00 0.00 N ATOM 910 CA LYS B 33 -2.692 12.830 6.538 1.00 0.00 C ATOM 911 C LYS B 33 -1.221 12.824 6.961 1.00 0.00 C ATOM 912 O LYS B 33 -0.810 13.601 7.824 1.00 0.00 O ATOM 913 CB LYS B 33 -3.263 11.415 6.671 1.00 0.00 C ATOM 914 CG LYS B 33 -4.720 11.295 6.250 1.00 0.00 C ATOM 915 CD LYS B 33 -5.640 12.083 7.166 1.00 0.00 C ATOM 916 CE LYS B 33 -7.088 11.984 6.715 1.00 0.00 C ATOM 917 NZ LYS B 33 -7.281 12.532 5.344 1.00 0.00 N ATOM 0 H LYS B 33 -3.106 12.580 4.497 1.00 0.00 H new ATOM 0 HA LYS B 33 -3.224 13.518 7.196 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -2.663 10.734 6.067 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -3.167 11.091 7.707 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -4.833 11.653 5.227 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -5.014 10.245 6.255 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -5.548 11.709 8.186 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -5.333 13.129 7.181 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -7.405 10.941 6.737 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -7.724 12.525 7.415 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -8.294 12.699 5.176 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -6.763 13.429 5.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -6.922 11.852 4.644 1.00 0.00 H new ATOM 931 N GLU B 34 -0.443 11.919 6.370 1.00 0.00 N ATOM 932 CA GLU B 34 0.976 11.773 6.699 1.00 0.00 C ATOM 933 C GLU B 34 1.847 12.864 6.079 1.00 0.00 C ATOM 934 O GLU B 34 2.806 13.325 6.699 1.00 0.00 O ATOM 935 CB GLU B 34 1.478 10.403 6.241 1.00 0.00 C ATOM 936 CG GLU B 34 0.772 9.234 6.912 1.00 0.00 C ATOM 937 CD GLU B 34 1.048 9.153 8.403 1.00 0.00 C ATOM 938 OE1 GLU B 34 1.804 10.003 8.918 1.00 0.00 O ATOM 939 OE2 GLU B 34 0.510 8.233 9.054 1.00 0.00 O ATOM 0 H GLU B 34 -0.774 11.271 5.655 1.00 0.00 H new ATOM 0 HA GLU B 34 1.058 11.868 7.782 1.00 0.00 H new ATOM 0 HB2 GLU B 34 1.350 10.322 5.162 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.547 10.333 6.441 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -0.302 9.324 6.751 1.00 0.00 H new ATOM 0 HG3 GLU B 34 1.088 8.305 6.438 1.00 0.00 H new ATOM 946 N GLY B 35 1.534 13.253 4.848 1.00 0.00 N ATOM 947 CA GLY B 35 2.328 14.261 4.167 1.00 0.00 C ATOM 948 C GLY B 35 3.422 13.633 3.327 1.00 0.00 C ATOM 949 O GLY B 35 4.512 14.189 3.188 1.00 0.00 O ATOM 0 H GLY B 35 0.747 12.890 4.310 1.00 0.00 H new ATOM 0 HA2 GLY B 35 1.682 14.866 3.531 1.00 0.00 H new ATOM 0 HA3 GLY B 35 2.772 14.933 4.901 1.00 0.00 H new ATOM 953 N ILE B 36 3.119 12.465 2.767 1.00 0.00 N ATOM 954 CA ILE B 36 4.063 11.735 1.931 1.00 0.00 C ATOM 955 C ILE B 36 3.658 11.805 0.459 1.00 0.00 C ATOM 956 O ILE B 36 2.483 11.645 0.128 1.00 0.00 O ATOM 957 CB ILE B 36 4.147 10.254 2.359 1.00 0.00 C ATOM 958 CG1 ILE B 36 4.587 10.147 3.822 1.00 0.00 C ATOM 959 CG2 ILE B 36 5.099 9.485 1.453 1.00 0.00 C ATOM 960 CD1 ILE B 36 4.631 8.725 4.342 1.00 0.00 C ATOM 0 H ILE B 36 2.217 12.002 2.880 1.00 0.00 H new ATOM 0 HA ILE B 36 5.039 12.204 2.058 1.00 0.00 H new ATOM 0 HB ILE B 36 3.156 9.810 2.263 1.00 0.00 H new ATOM 0 HG12 ILE B 36 5.575 10.594 3.929 1.00 0.00 H new ATOM 0 HG13 ILE B 36 3.905 10.730 4.441 1.00 0.00 H new ATOM 0 HG21 ILE B 36 5.143 8.444 1.772 1.00 0.00 H new ATOM 0 HG22 ILE B 36 4.742 9.534 0.424 1.00 0.00 H new ATOM 0 HG23 ILE B 36 6.094 9.926 1.513 1.00 0.00 H new ATOM 0 HD11 ILE B 36 4.951 8.728 5.384 1.00 0.00 H new ATOM 0 HD12 ILE B 36 3.639 8.280 4.268 1.00 0.00 H new ATOM 0 HD13 ILE B 36 5.335 8.142 3.748 1.00 0.00 H new ATOM 972 N PRO B 37 4.624 12.040 -0.450 1.00 0.00 N ATOM 973 CA PRO B 37 4.343 12.119 -1.886 1.00 0.00 C ATOM 974 C PRO B 37 3.655 10.856 -2.402 1.00 0.00 C ATOM 975 O PRO B 37 4.056 9.743 -2.060 1.00 0.00 O ATOM 976 CB PRO B 37 5.726 12.264 -2.526 1.00 0.00 C ATOM 977 CG PRO B 37 6.617 12.763 -1.441 1.00 0.00 C ATOM 978 CD PRO B 37 6.053 12.237 -0.150 1.00 0.00 C ATOM 0 HA PRO B 37 3.668 12.942 -2.121 1.00 0.00 H new ATOM 0 HB2 PRO B 37 6.080 11.310 -2.916 1.00 0.00 H new ATOM 0 HB3 PRO B 37 5.700 12.961 -3.364 1.00 0.00 H new ATOM 0 HG2 PRO B 37 7.640 12.415 -1.588 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.649 13.853 -1.435 1.00 0.00 H new ATOM 0 HD2 PRO B 37 6.533 11.304 0.146 1.00 0.00 H new ATOM 0 HD3 PRO B 37 6.197 12.943 0.668 1.00 0.00 H new ATOM 986 N PRO B 38 2.607 11.007 -3.231 1.00 0.00 N ATOM 987 CA PRO B 38 1.867 9.866 -3.787 1.00 0.00 C ATOM 988 C PRO B 38 2.765 8.920 -4.579 1.00 0.00 C ATOM 989 O PRO B 38 2.682 7.700 -4.430 1.00 0.00 O ATOM 990 CB PRO B 38 0.834 10.519 -4.713 1.00 0.00 C ATOM 991 CG PRO B 38 0.704 11.919 -4.221 1.00 0.00 C ATOM 992 CD PRO B 38 2.058 12.295 -3.691 1.00 0.00 C ATOM 0 HA PRO B 38 1.426 9.252 -3.002 1.00 0.00 H new ATOM 0 HB2 PRO B 38 1.164 10.495 -5.751 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -0.121 9.995 -4.670 1.00 0.00 H new ATOM 0 HG2 PRO B 38 0.399 12.589 -5.025 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -0.055 11.990 -3.441 1.00 0.00 H new ATOM 0 HD2 PRO B 38 2.682 12.746 -4.463 1.00 0.00 H new ATOM 0 HD3 PRO B 38 1.986 13.016 -2.877 1.00 0.00 H new ATOM 1000 N ASP B 39 3.616 9.490 -5.426 1.00 0.00 N ATOM 1001 CA ASP B 39 4.526 8.699 -6.249 1.00 0.00 C ATOM 1002 C ASP B 39 5.595 8.012 -5.401 1.00 0.00 C ATOM 1003 O ASP B 39 5.905 6.840 -5.612 1.00 0.00 O ATOM 1004 CB ASP B 39 5.191 9.585 -7.303 1.00 0.00 C ATOM 1005 CG ASP B 39 6.142 8.811 -8.196 1.00 0.00 C ATOM 1006 OD1 ASP B 39 5.681 7.876 -8.884 1.00 0.00 O ATOM 1007 OD2 ASP B 39 7.347 9.139 -8.206 1.00 0.00 O ATOM 0 H ASP B 39 3.695 10.498 -5.561 1.00 0.00 H new ATOM 0 HA ASP B 39 3.938 7.926 -6.743 1.00 0.00 H new ATOM 0 HB2 ASP B 39 4.422 10.054 -7.917 1.00 0.00 H new ATOM 0 HB3 ASP B 39 5.736 10.388 -6.807 1.00 0.00 H new ATOM 1012 N GLN B 40 6.166 8.751 -4.452 1.00 0.00 N ATOM 1013 CA GLN B 40 7.211 8.208 -3.588 1.00 0.00 C ATOM 1014 C GLN B 40 6.720 6.993 -2.803 1.00 0.00 C ATOM 1015 O GLN B 40 7.341 5.931 -2.844 1.00 0.00 O ATOM 1016 CB GLN B 40 7.728 9.286 -2.630 1.00 0.00 C ATOM 1017 CG GLN B 40 8.460 10.422 -3.330 1.00 0.00 C ATOM 1018 CD GLN B 40 9.720 9.962 -4.039 1.00 0.00 C ATOM 1019 OE1 GLN B 40 9.671 9.132 -4.947 1.00 0.00 O ATOM 1020 NE2 GLN B 40 10.861 10.502 -3.626 1.00 0.00 N ATOM 0 H GLN B 40 5.924 9.724 -4.263 1.00 0.00 H new ATOM 0 HA GLN B 40 8.030 7.880 -4.229 1.00 0.00 H new ATOM 0 HB2 GLN B 40 6.887 9.697 -2.071 1.00 0.00 H new ATOM 0 HB3 GLN B 40 8.399 8.825 -1.905 1.00 0.00 H new ATOM 0 HG2 GLN B 40 7.791 10.888 -4.054 1.00 0.00 H new ATOM 0 HG3 GLN B 40 8.719 11.187 -2.598 1.00 0.00 H new ATOM 0 HE21 GLN B 40 10.857 11.187 -2.870 1.00 0.00 H new ATOM 0 HE22 GLN B 40 11.741 10.232 -4.065 1.00 0.00 H new ATOM 1029 N GLN B 41 5.606 7.146 -2.093 1.00 0.00 N ATOM 1030 CA GLN B 41 5.053 6.045 -1.309 1.00 0.00 C ATOM 1031 C GLN B 41 4.470 4.971 -2.224 1.00 0.00 C ATOM 1032 O GLN B 41 3.858 5.279 -3.247 1.00 0.00 O ATOM 1033 CB GLN B 41 3.985 6.555 -0.338 1.00 0.00 C ATOM 1034 CG GLN B 41 2.755 7.128 -1.018 1.00 0.00 C ATOM 1035 CD GLN B 41 1.733 7.644 -0.025 1.00 0.00 C ATOM 1036 OE1 GLN B 41 1.217 6.889 0.799 1.00 0.00 O ATOM 1037 NE2 GLN B 41 1.435 8.936 -0.096 1.00 0.00 N ATOM 0 H GLN B 41 5.072 8.014 -2.044 1.00 0.00 H new ATOM 0 HA GLN B 41 5.863 5.602 -0.729 1.00 0.00 H new ATOM 0 HB2 GLN B 41 3.679 5.736 0.313 1.00 0.00 H new ATOM 0 HB3 GLN B 41 4.425 7.321 0.300 1.00 0.00 H new ATOM 0 HG2 GLN B 41 3.055 7.939 -1.681 1.00 0.00 H new ATOM 0 HG3 GLN B 41 2.297 6.360 -1.641 1.00 0.00 H new ATOM 0 HE21 GLN B 41 1.887 9.526 -0.795 1.00 0.00 H new ATOM 0 HE22 GLN B 41 0.754 9.339 0.548 1.00 0.00 H new ATOM 1046 N ARG B 42 4.675 3.709 -1.856 1.00 0.00 N ATOM 1047 CA ARG B 42 4.179 2.591 -2.652 1.00 0.00 C ATOM 1048 C ARG B 42 3.346 1.631 -1.807 1.00 0.00 C ATOM 1049 O ARG B 42 3.820 1.099 -0.804 1.00 0.00 O ATOM 1050 CB ARG B 42 5.354 1.844 -3.289 1.00 0.00 C ATOM 1051 CG ARG B 42 6.115 2.677 -4.305 1.00 0.00 C ATOM 1052 CD ARG B 42 7.368 1.972 -4.798 1.00 0.00 C ATOM 1053 NE ARG B 42 8.383 1.861 -3.753 1.00 0.00 N ATOM 1054 CZ ARG B 42 9.611 1.393 -3.962 1.00 0.00 C ATOM 1055 NH1 ARG B 42 9.978 0.997 -5.174 1.00 0.00 N ATOM 1056 NH2 ARG B 42 10.473 1.320 -2.957 1.00 0.00 N ATOM 0 H ARG B 42 5.180 3.436 -1.013 1.00 0.00 H new ATOM 0 HA ARG B 42 3.536 2.993 -3.435 1.00 0.00 H new ATOM 0 HB2 ARG B 42 6.040 1.524 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG B 42 4.982 0.942 -3.775 1.00 0.00 H new ATOM 0 HG2 ARG B 42 5.466 2.897 -5.153 1.00 0.00 H new ATOM 0 HG3 ARG B 42 6.389 3.632 -3.858 1.00 0.00 H new ATOM 0 HD2 ARG B 42 7.106 0.976 -5.156 1.00 0.00 H new ATOM 0 HD3 ARG B 42 7.780 2.518 -5.647 1.00 0.00 H new ATOM 0 HE ARG B 42 8.136 2.159 -2.809 1.00 0.00 H new ATOM 0 HH11 ARG B 42 9.318 1.051 -5.950 1.00 0.00 H new ATOM 0 HH12 ARG B 42 10.920 0.639 -5.330 1.00 0.00 H new ATOM 0 HH21 ARG B 42 10.195 1.623 -2.023 1.00 0.00 H new ATOM 0 HH22 ARG B 42 11.414 0.961 -3.117 1.00 0.00 H new ATOM 1070 N LEU B 43 2.103 1.409 -2.228 1.00 0.00 N ATOM 1071 CA LEU B 43 1.203 0.506 -1.518 1.00 0.00 C ATOM 1072 C LEU B 43 1.269 -0.902 -2.105 1.00 0.00 C ATOM 1073 O LEU B 43 1.227 -1.082 -3.323 1.00 0.00 O ATOM 1074 CB LEU B 43 -0.237 1.028 -1.566 1.00 0.00 C ATOM 1075 CG LEU B 43 -0.483 2.343 -0.818 1.00 0.00 C ATOM 1076 CD1 LEU B 43 -1.925 2.793 -0.992 1.00 0.00 C ATOM 1077 CD2 LEU B 43 -0.150 2.191 0.661 1.00 0.00 C ATOM 0 H LEU B 43 1.697 1.842 -3.057 1.00 0.00 H new ATOM 0 HA LEU B 43 1.525 0.463 -0.478 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -0.522 1.164 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.896 0.265 -1.152 1.00 0.00 H new ATOM 0 HG LEU B 43 0.172 3.104 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -2.082 3.728 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -2.134 2.944 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -2.595 2.030 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.331 3.136 1.174 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -0.778 1.415 1.097 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.898 1.914 0.771 1.00 0.00 H new ATOM 1089 N ILE B 44 1.373 -1.896 -1.228 1.00 0.00 N ATOM 1090 CA ILE B 44 1.446 -3.288 -1.649 1.00 0.00 C ATOM 1091 C ILE B 44 0.288 -4.093 -1.071 1.00 0.00 C ATOM 1092 O ILE B 44 -0.090 -3.912 0.089 1.00 0.00 O ATOM 1093 CB ILE B 44 2.776 -3.936 -1.215 1.00 0.00 C ATOM 1094 CG1 ILE B 44 3.959 -3.129 -1.757 1.00 0.00 C ATOM 1095 CG2 ILE B 44 2.844 -5.380 -1.697 1.00 0.00 C ATOM 1096 CD1 ILE B 44 5.308 -3.647 -1.305 1.00 0.00 C ATOM 0 H ILE B 44 1.409 -1.761 -0.218 1.00 0.00 H new ATOM 0 HA ILE B 44 1.386 -3.297 -2.737 1.00 0.00 H new ATOM 0 HB ILE B 44 2.828 -3.936 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.923 -3.136 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE B 44 3.854 -2.091 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE B 44 3.789 -5.824 -1.383 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.017 -5.946 -1.269 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.775 -5.404 -2.785 1.00 0.00 H new ATOM 0 HD11 ILE B 44 6.097 -3.025 -1.729 1.00 0.00 H new ATOM 0 HD12 ILE B 44 5.365 -3.614 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE B 44 5.435 -4.675 -1.644 1.00 0.00 H new ATOM 1108 N PHE B 45 -0.273 -4.982 -1.886 1.00 0.00 N ATOM 1109 CA PHE B 45 -1.390 -5.815 -1.457 1.00 0.00 C ATOM 1110 C PHE B 45 -1.553 -7.018 -2.381 1.00 0.00 C ATOM 1111 O PHE B 45 -1.339 -6.918 -3.591 1.00 0.00 O ATOM 1112 CB PHE B 45 -2.684 -4.996 -1.429 1.00 0.00 C ATOM 1113 CG PHE B 45 -3.877 -5.759 -0.921 1.00 0.00 C ATOM 1114 CD1 PHE B 45 -3.783 -6.543 0.219 1.00 0.00 C ATOM 1115 CD2 PHE B 45 -5.092 -5.688 -1.583 1.00 0.00 C ATOM 1116 CE1 PHE B 45 -4.879 -7.243 0.687 1.00 0.00 C ATOM 1117 CE2 PHE B 45 -6.191 -6.386 -1.119 1.00 0.00 C ATOM 1118 CZ PHE B 45 -6.084 -7.165 0.017 1.00 0.00 C ATOM 0 H PHE B 45 0.028 -5.143 -2.847 1.00 0.00 H new ATOM 0 HA PHE B 45 -1.178 -6.177 -0.451 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -2.533 -4.117 -0.802 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -2.897 -4.636 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -2.843 -6.607 0.747 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -5.181 -5.081 -2.471 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.793 -7.850 1.576 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -7.133 -6.323 -1.644 1.00 0.00 H new ATOM 0 HZ PHE B 45 -6.941 -7.712 0.380 1.00 0.00 H new ATOM 1128 N ALA B 46 -1.925 -8.155 -1.799 1.00 0.00 N ATOM 1129 CA ALA B 46 -2.115 -9.383 -2.562 1.00 0.00 C ATOM 1130 C ALA B 46 -0.888 -9.693 -3.412 1.00 0.00 C ATOM 1131 O ALA B 46 -1.006 -10.152 -4.549 1.00 0.00 O ATOM 1132 CB ALA B 46 -3.356 -9.274 -3.436 1.00 0.00 C ATOM 0 H ALA B 46 -2.101 -8.250 -0.799 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.253 -10.204 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -3.486 -10.198 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -4.230 -9.107 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -3.242 -8.439 -4.128 1.00 0.00 H new ATOM 1138 N GLY B 47 0.288 -9.438 -2.849 1.00 0.00 N ATOM 1139 CA GLY B 47 1.525 -9.691 -3.563 1.00 0.00 C ATOM 1140 C GLY B 47 1.609 -8.921 -4.867 1.00 0.00 C ATOM 1141 O GLY B 47 2.100 -9.441 -5.870 1.00 0.00 O ATOM 0 H GLY B 47 0.406 -9.060 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY B 47 2.369 -9.419 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY B 47 1.611 -10.758 -3.768 1.00 0.00 H new ATOM 1145 N LYS B 48 1.129 -7.679 -4.855 1.00 0.00 N ATOM 1146 CA LYS B 48 1.153 -6.840 -6.046 1.00 0.00 C ATOM 1147 C LYS B 48 0.898 -5.378 -5.687 1.00 0.00 C ATOM 1148 O LYS B 48 -0.021 -5.066 -4.928 1.00 0.00 O ATOM 1149 CB LYS B 48 0.103 -7.324 -7.047 1.00 0.00 C ATOM 1150 CG LYS B 48 0.049 -6.496 -8.319 1.00 0.00 C ATOM 1151 CD LYS B 48 -1.007 -7.014 -9.284 1.00 0.00 C ATOM 1152 CE LYS B 48 -2.409 -6.882 -8.709 1.00 0.00 C ATOM 1153 NZ LYS B 48 -2.765 -5.464 -8.425 1.00 0.00 N ATOM 0 H LYS B 48 0.720 -7.234 -4.034 1.00 0.00 H new ATOM 0 HA LYS B 48 2.142 -6.914 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS B 48 0.312 -8.362 -7.307 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -0.877 -7.306 -6.570 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -0.166 -5.457 -8.068 1.00 0.00 H new ATOM 0 HG3 LYS B 48 1.025 -6.511 -8.805 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -0.945 -6.462 -10.222 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -0.806 -8.060 -9.516 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -3.129 -7.303 -9.410 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -2.480 -7.465 -7.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -3.790 -5.389 -8.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -2.256 -5.141 -7.577 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -2.498 -4.870 -9.236 1.00 0.00 H new ATOM 1167 N GLN B 49 1.718 -4.484 -6.236 1.00 0.00 N ATOM 1168 CA GLN B 49 1.577 -3.057 -5.970 1.00 0.00 C ATOM 1169 C GLN B 49 0.280 -2.521 -6.573 1.00 0.00 C ATOM 1170 O GLN B 49 -0.054 -2.822 -7.719 1.00 0.00 O ATOM 1171 CB GLN B 49 2.780 -2.276 -6.519 1.00 0.00 C ATOM 1172 CG GLN B 49 2.822 -2.149 -8.039 1.00 0.00 C ATOM 1173 CD GLN B 49 3.007 -3.475 -8.754 1.00 0.00 C ATOM 1174 OE1 GLN B 49 2.120 -4.327 -8.752 1.00 0.00 O ATOM 1175 NE2 GLN B 49 4.168 -3.654 -9.375 1.00 0.00 N ATOM 0 H GLN B 49 2.484 -4.723 -6.866 1.00 0.00 H new ATOM 0 HA GLN B 49 1.541 -2.919 -4.889 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.775 -1.276 -6.085 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.695 -2.764 -6.184 1.00 0.00 H new ATOM 0 HG2 GLN B 49 1.897 -1.686 -8.382 1.00 0.00 H new ATOM 0 HG3 GLN B 49 3.636 -1.479 -8.317 1.00 0.00 H new ATOM 0 HE21 GLN B 49 4.877 -2.921 -9.352 1.00 0.00 H new ATOM 0 HE22 GLN B 49 4.350 -4.524 -9.875 1.00 0.00 H new ATOM 1184 N LEU B 50 -0.448 -1.729 -5.792 1.00 0.00 N ATOM 1185 CA LEU B 50 -1.707 -1.155 -6.252 1.00 0.00 C ATOM 1186 C LEU B 50 -1.464 -0.177 -7.398 1.00 0.00 C ATOM 1187 O LEU B 50 -0.660 0.747 -7.276 1.00 0.00 O ATOM 1188 CB LEU B 50 -2.417 -0.446 -5.095 1.00 0.00 C ATOM 1189 CG LEU B 50 -2.733 -1.331 -3.885 1.00 0.00 C ATOM 1190 CD1 LEU B 50 -3.383 -0.512 -2.781 1.00 0.00 C ATOM 1191 CD2 LEU B 50 -3.635 -2.489 -4.287 1.00 0.00 C ATOM 0 H LEU B 50 -0.188 -1.471 -4.840 1.00 0.00 H new ATOM 0 HA LEU B 50 -2.343 -1.962 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -1.796 0.387 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -3.349 -0.021 -5.467 1.00 0.00 H new ATOM 0 HG LEU B 50 -1.796 -1.740 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -3.600 -1.157 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -2.705 0.283 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -4.310 -0.074 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -3.847 -3.105 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -4.569 -2.099 -4.692 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -3.136 -3.093 -5.044 1.00 0.00 H new ATOM 1203 N GLU B 51 -2.158 -0.389 -8.513 1.00 0.00 N ATOM 1204 CA GLU B 51 -2.010 0.474 -9.681 1.00 0.00 C ATOM 1205 C GLU B 51 -2.679 1.824 -9.456 1.00 0.00 C ATOM 1206 O GLU B 51 -3.829 1.892 -9.023 1.00 0.00 O ATOM 1207 CB GLU B 51 -2.607 -0.194 -10.920 1.00 0.00 C ATOM 1208 CG GLU B 51 -1.976 -1.536 -11.252 1.00 0.00 C ATOM 1209 CD GLU B 51 -2.563 -2.163 -12.501 1.00 0.00 C ATOM 1210 OE1 GLU B 51 -2.483 -1.531 -13.576 1.00 0.00 O ATOM 1211 OE2 GLU B 51 -3.099 -3.286 -12.406 1.00 0.00 O ATOM 0 H GLU B 51 -2.827 -1.150 -8.632 1.00 0.00 H new ATOM 0 HA GLU B 51 -0.944 0.637 -9.838 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -3.677 -0.333 -10.767 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -2.491 0.474 -11.774 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -0.902 -1.405 -11.386 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -2.112 -2.215 -10.411 1.00 0.00 H new ATOM 1218 N ASP B 52 -1.956 2.895 -9.763 1.00 0.00 N ATOM 1219 CA ASP B 52 -2.485 4.242 -9.602 1.00 0.00 C ATOM 1220 C ASP B 52 -3.598 4.511 -10.610 1.00 0.00 C ATOM 1221 O ASP B 52 -3.478 4.171 -11.787 1.00 0.00 O ATOM 1222 CB ASP B 52 -1.371 5.277 -9.766 1.00 0.00 C ATOM 1223 CG ASP B 52 -0.260 5.096 -8.751 1.00 0.00 C ATOM 1224 OD1 ASP B 52 -0.541 5.190 -7.538 1.00 0.00 O ATOM 1225 OD2 ASP B 52 0.893 4.858 -9.170 1.00 0.00 O ATOM 0 H ASP B 52 -1.003 2.856 -10.124 1.00 0.00 H new ATOM 0 HA ASP B 52 -2.899 4.324 -8.597 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -0.956 5.204 -10.771 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -1.791 6.278 -9.666 1.00 0.00 H new ATOM 1230 N GLY B 53 -4.676 5.127 -10.139 1.00 0.00 N ATOM 1231 CA GLY B 53 -5.797 5.439 -11.007 1.00 0.00 C ATOM 1232 C GLY B 53 -6.623 4.220 -11.377 1.00 0.00 C ATOM 1233 O GLY B 53 -7.007 4.054 -12.534 1.00 0.00 O ATOM 0 H GLY B 53 -4.794 5.417 -9.168 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -6.439 6.169 -10.513 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -5.424 5.907 -11.918 1.00 0.00 H new ATOM 1237 N ARG B 54 -6.908 3.372 -10.392 1.00 0.00 N ATOM 1238 CA ARG B 54 -7.706 2.173 -10.623 1.00 0.00 C ATOM 1239 C ARG B 54 -8.758 2.004 -9.531 1.00 0.00 C ATOM 1240 O ARG B 54 -8.459 2.124 -8.342 1.00 0.00 O ATOM 1241 CB ARG B 54 -6.811 0.935 -10.679 1.00 0.00 C ATOM 1242 CG ARG B 54 -5.806 0.952 -11.821 1.00 0.00 C ATOM 1243 CD ARG B 54 -6.499 0.987 -13.175 1.00 0.00 C ATOM 1244 NE ARG B 54 -5.545 0.999 -14.280 1.00 0.00 N ATOM 1245 CZ ARG B 54 -5.902 1.048 -15.560 1.00 0.00 C ATOM 1246 NH1 ARG B 54 -7.185 1.106 -15.892 1.00 0.00 N ATOM 1247 NH2 ARG B 54 -4.977 1.045 -16.510 1.00 0.00 N ATOM 0 H ARG B 54 -6.598 3.493 -9.428 1.00 0.00 H new ATOM 0 HA ARG B 54 -8.213 2.286 -11.581 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -6.273 0.845 -9.736 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -7.439 0.049 -10.774 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -5.156 1.821 -11.722 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -5.170 0.069 -11.760 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -7.152 0.120 -13.270 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -7.133 1.872 -13.234 1.00 0.00 H new ATOM 0 HE ARG B 54 -4.550 0.968 -14.058 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -7.900 1.113 -15.165 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -7.456 1.144 -16.875 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -3.989 1.005 -16.260 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -5.253 1.083 -17.491 1.00 0.00 H new ATOM 1261 N THR B 55 -9.990 1.732 -9.948 1.00 0.00 N ATOM 1262 CA THR B 55 -11.100 1.554 -9.015 1.00 0.00 C ATOM 1263 C THR B 55 -10.852 0.393 -8.059 1.00 0.00 C ATOM 1264 O THR B 55 -10.395 -0.675 -8.465 1.00 0.00 O ATOM 1265 CB THR B 55 -12.425 1.313 -9.760 1.00 0.00 C ATOM 1266 OG1 THR B 55 -12.326 0.135 -10.570 1.00 0.00 O ATOM 1267 CG2 THR B 55 -12.780 2.506 -10.634 1.00 0.00 C ATOM 0 H THR B 55 -10.247 1.629 -10.930 1.00 0.00 H new ATOM 0 HA THR B 55 -11.171 2.478 -8.440 1.00 0.00 H new ATOM 0 HB THR B 55 -13.213 1.179 -9.019 1.00 0.00 H new ATOM 0 HG1 THR B 55 -11.688 -0.488 -10.164 1.00 0.00 H new ATOM 0 HG21 THR B 55 -13.720 2.312 -11.150 1.00 0.00 H new ATOM 0 HG22 THR B 55 -12.885 3.395 -10.012 1.00 0.00 H new ATOM 0 HG23 THR B 55 -11.990 2.668 -11.367 1.00 0.00 H new ATOM 1275 N LEU B 56 -11.165 0.614 -6.784 1.00 0.00 N ATOM 1276 CA LEU B 56 -10.985 -0.409 -5.759 1.00 0.00 C ATOM 1277 C LEU B 56 -11.887 -1.609 -6.026 1.00 0.00 C ATOM 1278 O LEU B 56 -11.515 -2.749 -5.747 1.00 0.00 O ATOM 1279 CB LEU B 56 -11.284 0.165 -4.371 1.00 0.00 C ATOM 1280 CG LEU B 56 -10.486 1.415 -3.991 1.00 0.00 C ATOM 1281 CD1 LEU B 56 -10.813 1.844 -2.570 1.00 0.00 C ATOM 1282 CD2 LEU B 56 -8.993 1.168 -4.143 1.00 0.00 C ATOM 0 H LEU B 56 -11.545 1.494 -6.437 1.00 0.00 H new ATOM 0 HA LEU B 56 -9.947 -0.739 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -12.346 0.402 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -11.091 -0.608 -3.627 1.00 0.00 H new ATOM 0 HG LEU B 56 -10.769 2.220 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -10.237 2.734 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -11.877 2.067 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -10.560 1.039 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -8.445 2.069 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -8.692 0.347 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -8.770 0.910 -5.178 1.00 0.00 H new ATOM 1294 N SER B 57 -13.076 -1.341 -6.561 1.00 0.00 N ATOM 1295 CA SER B 57 -14.041 -2.396 -6.863 1.00 0.00 C ATOM 1296 C SER B 57 -13.401 -3.499 -7.699 1.00 0.00 C ATOM 1297 O SER B 57 -13.632 -4.685 -7.458 1.00 0.00 O ATOM 1298 CB SER B 57 -15.250 -1.815 -7.600 1.00 0.00 C ATOM 1299 OG SER B 57 -16.189 -2.828 -7.919 1.00 0.00 O ATOM 0 H SER B 57 -13.395 -0.401 -6.795 1.00 0.00 H new ATOM 0 HA SER B 57 -14.373 -2.829 -5.920 1.00 0.00 H new ATOM 0 HB2 SER B 57 -15.727 -1.055 -6.981 1.00 0.00 H new ATOM 0 HB3 SER B 57 -14.920 -1.320 -8.513 1.00 0.00 H new ATOM 0 HG SER B 57 -16.952 -2.431 -8.388 1.00 0.00 H new ATOM 1305 N ASP B 58 -12.590 -3.103 -8.676 1.00 0.00 N ATOM 1306 CA ASP B 58 -11.911 -4.062 -9.540 1.00 0.00 C ATOM 1307 C ASP B 58 -11.051 -5.009 -8.708 1.00 0.00 C ATOM 1308 O ASP B 58 -11.060 -6.222 -8.920 1.00 0.00 O ATOM 1309 CB ASP B 58 -11.044 -3.329 -10.567 1.00 0.00 C ATOM 1310 CG ASP B 58 -10.377 -4.271 -11.554 1.00 0.00 C ATOM 1311 OD1 ASP B 58 -10.608 -5.495 -11.461 1.00 0.00 O ATOM 1312 OD2 ASP B 58 -9.625 -3.782 -12.423 1.00 0.00 O ATOM 0 H ASP B 58 -12.388 -2.126 -8.888 1.00 0.00 H new ATOM 0 HA ASP B 58 -12.664 -4.646 -10.069 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -11.661 -2.615 -11.113 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -10.278 -2.755 -10.045 1.00 0.00 H new ATOM 1317 N TYR B 59 -10.316 -4.443 -7.756 1.00 0.00 N ATOM 1318 CA TYR B 59 -9.454 -5.229 -6.881 1.00 0.00 C ATOM 1319 C TYR B 59 -10.287 -6.072 -5.920 1.00 0.00 C ATOM 1320 O TYR B 59 -9.862 -7.147 -5.494 1.00 0.00 O ATOM 1321 CB TYR B 59 -8.511 -4.315 -6.090 1.00 0.00 C ATOM 1322 CG TYR B 59 -7.509 -3.563 -6.944 1.00 0.00 C ATOM 1323 CD1 TYR B 59 -7.921 -2.771 -8.010 1.00 0.00 C ATOM 1324 CD2 TYR B 59 -6.148 -3.639 -6.674 1.00 0.00 C ATOM 1325 CE1 TYR B 59 -7.006 -2.082 -8.783 1.00 0.00 C ATOM 1326 CE2 TYR B 59 -5.228 -2.951 -7.442 1.00 0.00 C ATOM 1327 CZ TYR B 59 -5.662 -2.175 -8.495 1.00 0.00 C ATOM 1328 OH TYR B 59 -4.749 -1.490 -9.262 1.00 0.00 O ATOM 0 H TYR B 59 -10.300 -3.440 -7.571 1.00 0.00 H new ATOM 0 HA TYR B 59 -8.858 -5.895 -7.505 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -9.107 -3.594 -5.531 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -7.969 -4.916 -5.360 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -8.974 -2.693 -8.238 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -5.803 -4.246 -5.850 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -7.343 -1.473 -9.609 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -4.174 -3.021 -7.218 1.00 0.00 H new ATOM 0 HH TYR B 59 -4.166 -2.128 -9.725 1.00 0.00 H new ATOM 1338 N ASN B 60 -11.472 -5.566 -5.578 1.00 0.00 N ATOM 1339 CA ASN B 60 -12.375 -6.255 -4.659 1.00 0.00 C ATOM 1340 C ASN B 60 -11.734 -6.371 -3.278 1.00 0.00 C ATOM 1341 O ASN B 60 -11.706 -7.444 -2.676 1.00 0.00 O ATOM 1342 CB ASN B 60 -12.739 -7.641 -5.204 1.00 0.00 C ATOM 1343 CG ASN B 60 -13.919 -8.267 -4.480 1.00 0.00 C ATOM 1344 OD1 ASN B 60 -13.865 -8.524 -3.279 1.00 0.00 O ATOM 1345 ND2 ASN B 60 -14.997 -8.515 -5.216 1.00 0.00 N ATOM 0 H ASN B 60 -11.829 -4.676 -5.926 1.00 0.00 H new ATOM 0 HA ASN B 60 -13.292 -5.673 -4.567 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -12.972 -7.559 -6.266 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -11.874 -8.299 -5.117 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -15.822 -8.934 -4.787 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -15.000 -8.286 -6.210 1.00 0.00 H new ATOM 1352 N ILE B 61 -11.209 -5.251 -2.789 1.00 0.00 N ATOM 1353 CA ILE B 61 -10.558 -5.213 -1.485 1.00 0.00 C ATOM 1354 C ILE B 61 -11.568 -5.409 -0.359 1.00 0.00 C ATOM 1355 O ILE B 61 -12.590 -4.726 -0.302 1.00 0.00 O ATOM 1356 CB ILE B 61 -9.812 -3.880 -1.275 1.00 0.00 C ATOM 1357 CG1 ILE B 61 -8.805 -3.659 -2.406 1.00 0.00 C ATOM 1358 CG2 ILE B 61 -9.112 -3.868 0.078 1.00 0.00 C ATOM 1359 CD1 ILE B 61 -8.081 -2.332 -2.330 1.00 0.00 C ATOM 0 H ILE B 61 -11.222 -4.356 -3.278 1.00 0.00 H new ATOM 0 HA ILE B 61 -9.838 -6.031 -1.462 1.00 0.00 H new ATOM 0 HB ILE B 61 -10.536 -3.066 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -8.071 -4.464 -2.388 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -9.326 -3.724 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -8.591 -2.920 0.209 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -9.850 -3.989 0.871 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -8.394 -4.686 0.123 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -7.385 -2.249 -3.165 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -8.805 -1.519 -2.379 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.531 -2.271 -1.391 1.00 0.00 H new ATOM 1371 N GLN B 62 -11.268 -6.344 0.536 1.00 0.00 N ATOM 1372 CA GLN B 62 -12.142 -6.635 1.667 1.00 0.00 C ATOM 1373 C GLN B 62 -12.185 -5.460 2.639 1.00 0.00 C ATOM 1374 O GLN B 62 -11.179 -4.784 2.851 1.00 0.00 O ATOM 1375 CB GLN B 62 -11.666 -7.898 2.388 1.00 0.00 C ATOM 1376 CG GLN B 62 -11.674 -9.139 1.508 1.00 0.00 C ATOM 1377 CD GLN B 62 -11.190 -10.387 2.228 1.00 0.00 C ATOM 1378 OE1 GLN B 62 -11.146 -11.470 1.645 1.00 0.00 O ATOM 1379 NE2 GLN B 62 -10.821 -10.245 3.497 1.00 0.00 N ATOM 0 H GLN B 62 -10.424 -6.915 0.500 1.00 0.00 H new ATOM 0 HA GLN B 62 -13.150 -6.800 1.286 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -10.655 -7.734 2.762 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -12.302 -8.073 3.255 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -12.686 -9.309 1.140 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -11.043 -8.963 0.637 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -10.873 -9.329 3.944 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -10.486 -11.052 4.024 1.00 0.00 H new ATOM 1388 N LYS B 63 -13.354 -5.217 3.224 1.00 0.00 N ATOM 1389 CA LYS B 63 -13.520 -4.117 4.171 1.00 0.00 C ATOM 1390 C LYS B 63 -12.528 -4.239 5.326 1.00 0.00 C ATOM 1391 O LYS B 63 -12.242 -5.340 5.798 1.00 0.00 O ATOM 1392 CB LYS B 63 -14.952 -4.087 4.710 1.00 0.00 C ATOM 1393 CG LYS B 63 -15.320 -5.316 5.526 1.00 0.00 C ATOM 1394 CD LYS B 63 -16.764 -5.263 6.007 1.00 0.00 C ATOM 1395 CE LYS B 63 -17.007 -4.081 6.934 1.00 0.00 C ATOM 1396 NZ LYS B 63 -18.412 -4.037 7.426 1.00 0.00 N ATOM 0 H LYS B 63 -14.199 -5.765 3.060 1.00 0.00 H new ATOM 0 HA LYS B 63 -13.322 -3.184 3.643 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -15.080 -3.199 5.328 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -15.645 -3.996 3.873 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -15.170 -6.211 4.923 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -14.653 -5.395 6.385 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -17.431 -5.194 5.148 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -17.008 -6.189 6.527 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -16.327 -4.141 7.784 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -16.778 -3.154 6.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -18.534 -3.217 8.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -19.061 -3.954 6.617 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -18.624 -4.910 7.951 1.00 0.00 H new ATOM 1410 N GLU B 64 -12.004 -3.099 5.770 1.00 0.00 N ATOM 1411 CA GLU B 64 -11.037 -3.062 6.866 1.00 0.00 C ATOM 1412 C GLU B 64 -9.806 -3.900 6.535 1.00 0.00 C ATOM 1413 O GLU B 64 -9.266 -4.598 7.395 1.00 0.00 O ATOM 1414 CB GLU B 64 -11.677 -3.561 8.163 1.00 0.00 C ATOM 1415 CG GLU B 64 -12.881 -2.742 8.601 1.00 0.00 C ATOM 1416 CD GLU B 64 -13.498 -3.256 9.887 1.00 0.00 C ATOM 1417 OE1 GLU B 64 -12.787 -3.294 10.913 1.00 0.00 O ATOM 1418 OE2 GLU B 64 -14.693 -3.618 9.869 1.00 0.00 O ATOM 0 H GLU B 64 -12.234 -2.183 5.385 1.00 0.00 H new ATOM 0 HA GLU B 64 -10.724 -2.027 7.003 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -11.982 -4.599 8.032 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -10.930 -3.546 8.956 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -12.580 -1.703 8.737 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -13.632 -2.755 7.811 1.00 0.00 H new ATOM 1425 N SER B 65 -9.367 -3.825 5.283 1.00 0.00 N ATOM 1426 CA SER B 65 -8.201 -4.575 4.832 1.00 0.00 C ATOM 1427 C SER B 65 -6.904 -3.843 5.162 1.00 0.00 C ATOM 1428 O SER B 65 -6.850 -2.610 5.159 1.00 0.00 O ATOM 1429 CB SER B 65 -8.277 -4.833 3.327 1.00 0.00 C ATOM 1430 OG SER B 65 -7.131 -5.530 2.870 1.00 0.00 O ATOM 0 H SER B 65 -9.803 -3.251 4.561 1.00 0.00 H new ATOM 0 HA SER B 65 -8.202 -5.528 5.361 1.00 0.00 H new ATOM 0 HB2 SER B 65 -9.173 -5.411 3.099 1.00 0.00 H new ATOM 0 HB3 SER B 65 -8.365 -3.885 2.796 1.00 0.00 H new ATOM 0 HG SER B 65 -7.287 -5.855 1.959 1.00 0.00 H new ATOM 1436 N THR B 66 -5.858 -4.617 5.435 1.00 0.00 N ATOM 1437 CA THR B 66 -4.549 -4.063 5.750 1.00 0.00 C ATOM 1438 C THR B 66 -3.749 -3.832 4.472 1.00 0.00 C ATOM 1439 O THR B 66 -3.634 -4.727 3.634 1.00 0.00 O ATOM 1440 CB THR B 66 -3.756 -4.998 6.684 1.00 0.00 C ATOM 1441 OG1 THR B 66 -4.457 -5.164 7.922 1.00 0.00 O ATOM 1442 CG2 THR B 66 -2.363 -4.450 6.955 1.00 0.00 C ATOM 0 H THR B 66 -5.894 -5.636 5.444 1.00 0.00 H new ATOM 0 HA THR B 66 -4.708 -3.113 6.260 1.00 0.00 H new ATOM 0 HB THR B 66 -3.656 -5.964 6.189 1.00 0.00 H new ATOM 0 HG1 THR B 66 -3.947 -5.761 8.509 1.00 0.00 H new ATOM 0 HG21 THR B 66 -1.827 -5.130 7.617 1.00 0.00 H new ATOM 0 HG22 THR B 66 -1.820 -4.355 6.015 1.00 0.00 H new ATOM 0 HG23 THR B 66 -2.443 -3.471 7.428 1.00 0.00 H new ATOM 1450 N LEU B 67 -3.197 -2.632 4.324 1.00 0.00 N ATOM 1451 CA LEU B 67 -2.412 -2.299 3.139 1.00 0.00 C ATOM 1452 C LEU B 67 -0.972 -1.962 3.509 1.00 0.00 C ATOM 1453 O LEU B 67 -0.722 -1.157 4.406 1.00 0.00 O ATOM 1454 CB LEU B 67 -3.046 -1.124 2.388 1.00 0.00 C ATOM 1455 CG LEU B 67 -4.472 -1.365 1.885 1.00 0.00 C ATOM 1456 CD1 LEU B 67 -4.975 -0.155 1.113 1.00 0.00 C ATOM 1457 CD2 LEU B 67 -4.531 -2.614 1.017 1.00 0.00 C ATOM 0 H LEU B 67 -3.278 -1.877 5.005 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.404 -3.174 2.489 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -3.052 -0.254 3.045 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.414 -0.875 1.535 1.00 0.00 H new ATOM 0 HG LEU B 67 -5.119 -1.518 2.749 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -5.990 -0.343 0.763 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -4.972 0.719 1.764 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -4.324 0.027 0.258 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -5.553 -2.768 0.670 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -3.870 -2.492 0.159 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -4.212 -3.478 1.600 1.00 0.00 H new ATOM 1469 N HIS B 68 -0.029 -2.585 2.809 1.00 0.00 N ATOM 1470 CA HIS B 68 1.389 -2.354 3.057 1.00 0.00 C ATOM 1471 C HIS B 68 1.861 -1.070 2.382 1.00 0.00 C ATOM 1472 O HIS B 68 1.379 -0.707 1.311 1.00 0.00 O ATOM 1473 CB HIS B 68 2.216 -3.541 2.557 1.00 0.00 C ATOM 1474 CG HIS B 68 1.879 -4.833 3.236 1.00 0.00 C ATOM 1475 ND1 HIS B 68 1.987 -5.019 4.598 1.00 0.00 N ATOM 1476 CD2 HIS B 68 1.430 -6.007 2.732 1.00 0.00 C ATOM 1477 CE1 HIS B 68 1.620 -6.251 4.903 1.00 0.00 C ATOM 1478 NE2 HIS B 68 1.277 -6.871 3.789 1.00 0.00 N ATOM 0 H HIS B 68 -0.222 -3.255 2.064 1.00 0.00 H new ATOM 0 HA HIS B 68 1.530 -2.248 4.133 1.00 0.00 H new ATOM 0 HB2 HIS B 68 2.063 -3.653 1.484 1.00 0.00 H new ATOM 0 HB3 HIS B 68 3.274 -3.326 2.708 1.00 0.00 H new ATOM 0 HD2 HIS B 68 1.230 -6.224 1.693 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.603 -6.678 5.895 1.00 0.00 H new ATOM 0 HE2 HIS B 68 0.951 -7.835 3.724 1.00 0.00 H new ATOM 1487 N LEU B 69 2.810 -0.389 3.013 1.00 0.00 N ATOM 1488 CA LEU B 69 3.354 0.850 2.469 1.00 0.00 C ATOM 1489 C LEU B 69 4.876 0.823 2.510 1.00 0.00 C ATOM 1490 O LEU B 69 5.469 0.321 3.463 1.00 0.00 O ATOM 1491 CB LEU B 69 2.823 2.061 3.240 1.00 0.00 C ATOM 1492 CG LEU B 69 3.331 3.417 2.744 1.00 0.00 C ATOM 1493 CD1 LEU B 69 3.060 3.579 1.258 1.00 0.00 C ATOM 1494 CD2 LEU B 69 2.678 4.547 3.522 1.00 0.00 C ATOM 0 H LEU B 69 3.219 -0.674 3.903 1.00 0.00 H new ATOM 0 HA LEU B 69 3.033 0.937 1.431 1.00 0.00 H new ATOM 0 HB2 LEU B 69 1.734 2.057 3.188 1.00 0.00 H new ATOM 0 HB3 LEU B 69 3.093 1.951 4.290 1.00 0.00 H new ATOM 0 HG LEU B 69 4.408 3.458 2.907 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.428 4.549 0.925 1.00 0.00 H new ATOM 0 HD12 LEU B 69 3.569 2.788 0.707 1.00 0.00 H new ATOM 0 HD13 LEU B 69 1.987 3.516 1.075 1.00 0.00 H new ATOM 0 HD21 LEU B 69 3.051 5.504 3.156 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.597 4.504 3.388 1.00 0.00 H new ATOM 0 HD23 LEU B 69 2.917 4.445 4.581 1.00 0.00 H new ATOM 1506 N VAL B 70 5.504 1.353 1.466 1.00 0.00 N ATOM 1507 CA VAL B 70 6.957 1.374 1.382 1.00 0.00 C ATOM 1508 C VAL B 70 7.442 2.562 0.560 1.00 0.00 C ATOM 1509 O VAL B 70 7.048 2.741 -0.593 1.00 0.00 O ATOM 1510 CB VAL B 70 7.491 0.062 0.765 1.00 0.00 C ATOM 1511 CG1 VAL B 70 6.583 -0.403 -0.360 1.00 0.00 C ATOM 1512 CG2 VAL B 70 8.923 0.233 0.272 1.00 0.00 C ATOM 0 H VAL B 70 5.029 1.773 0.667 1.00 0.00 H new ATOM 0 HA VAL B 70 7.342 1.471 2.397 1.00 0.00 H new ATOM 0 HB VAL B 70 7.496 -0.703 1.541 1.00 0.00 H new ATOM 0 HG11 VAL B 70 6.973 -1.328 -0.784 1.00 0.00 H new ATOM 0 HG12 VAL B 70 5.580 -0.577 0.030 1.00 0.00 H new ATOM 0 HG13 VAL B 70 6.543 0.362 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL B 70 9.274 -0.705 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL B 70 8.956 1.014 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL B 70 9.565 0.512 1.108 1.00 0.00 H new ATOM 1522 N LEU B 71 8.301 3.371 1.169 1.00 0.00 N ATOM 1523 CA LEU B 71 8.848 4.547 0.509 1.00 0.00 C ATOM 1524 C LEU B 71 9.857 4.153 -0.563 1.00 0.00 C ATOM 1525 O LEU B 71 10.712 3.296 -0.339 1.00 0.00 O ATOM 1526 CB LEU B 71 9.513 5.478 1.531 1.00 0.00 C ATOM 1527 CG LEU B 71 8.568 6.134 2.547 1.00 0.00 C ATOM 1528 CD1 LEU B 71 7.467 6.906 1.836 1.00 0.00 C ATOM 1529 CD2 LEU B 71 7.973 5.096 3.488 1.00 0.00 C ATOM 0 H LEU B 71 8.634 3.232 2.123 1.00 0.00 H new ATOM 0 HA LEU B 71 8.022 5.074 0.031 1.00 0.00 H new ATOM 0 HB2 LEU B 71 10.266 4.909 2.077 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.038 6.265 0.990 1.00 0.00 H new ATOM 0 HG LEU B 71 9.150 6.836 3.144 1.00 0.00 H new ATOM 0 HD11 LEU B 71 6.808 7.363 2.574 1.00 0.00 H new ATOM 0 HD12 LEU B 71 7.911 7.684 1.215 1.00 0.00 H new ATOM 0 HD13 LEU B 71 6.892 6.225 1.209 1.00 0.00 H new ATOM 0 HD21 LEU B 71 7.307 5.587 4.198 1.00 0.00 H new ATOM 0 HD22 LEU B 71 7.410 4.362 2.911 1.00 0.00 H new ATOM 0 HD23 LEU B 71 8.775 4.594 4.030 1.00 0.00 H new ATOM 1541 N ARG B 72 9.748 4.788 -1.725 1.00 0.00 N ATOM 1542 CA ARG B 72 10.652 4.517 -2.840 1.00 0.00 C ATOM 1543 C ARG B 72 12.012 5.187 -2.610 1.00 0.00 C ATOM 1544 O ARG B 72 12.549 5.845 -3.502 1.00 0.00 O ATOM 1545 CB ARG B 72 10.036 5.010 -4.155 1.00 0.00 C ATOM 1546 CG ARG B 72 10.835 4.624 -5.393 1.00 0.00 C ATOM 1547 CD ARG B 72 10.302 5.313 -6.641 1.00 0.00 C ATOM 1548 NE ARG B 72 8.940 4.899 -6.967 1.00 0.00 N ATOM 1549 CZ ARG B 72 8.614 3.669 -7.358 1.00 0.00 C ATOM 1550 NH1 ARG B 72 9.549 2.735 -7.474 1.00 0.00 N ATOM 1551 NH2 ARG B 72 7.352 3.373 -7.637 1.00 0.00 N ATOM 0 H ARG B 72 9.041 5.496 -1.921 1.00 0.00 H new ATOM 0 HA ARG B 72 10.805 3.440 -2.904 1.00 0.00 H new ATOM 0 HB2 ARG B 72 9.027 4.608 -4.246 1.00 0.00 H new ATOM 0 HB3 ARG B 72 9.944 6.095 -4.118 1.00 0.00 H new ATOM 0 HG2 ARG B 72 11.882 4.890 -5.249 1.00 0.00 H new ATOM 0 HG3 ARG B 72 10.797 3.543 -5.529 1.00 0.00 H new ATOM 0 HD2 ARG B 72 10.325 6.393 -6.495 1.00 0.00 H new ATOM 0 HD3 ARG B 72 10.958 5.091 -7.483 1.00 0.00 H new ATOM 0 HE ARG B 72 8.196 5.592 -6.891 1.00 0.00 H new ATOM 0 HH11 ARG B 72 10.522 2.958 -7.263 1.00 0.00 H new ATOM 0 HH12 ARG B 72 9.295 1.794 -7.774 1.00 0.00 H new ATOM 0 HH21 ARG B 72 6.630 4.088 -7.552 1.00 0.00 H new ATOM 0 HH22 ARG B 72 7.104 2.430 -7.937 1.00 0.00 H new