USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 826 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: A 65 THR OG1 : rot 147:sc= 0.0825 USER MOD Set 1.2: A 88 GLN : amide:sc= -0.0506 K(o=0.032,f=-2) USER MOD Set 2.1: A 42 SER OG : rot 180:sc= 0.024 USER MOD Set 2.2: A 43 ASN : amide:sc= -0.0327 K(o=-0.0087,f=-0.73) USER MOD Set 3.1: A 30 ASN : amide:sc= -0.63 K(o=-0.4,f=-7.1!) USER MOD Set 3.2: A 31 SER OG : rot 64:sc= 0.234 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -1.9! C(o=-1.9!,f=-2.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -129:sc= -0.224 (180deg=-0.948) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -125:sc= -1.05 (180deg=-1.38) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -117:sc= 0.186 USER MOD Single : A 44 ASN : amide:sc= -1.6 X(o=-1.6,f=-2.1!) USER MOD Single : A 45 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.1) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00156 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.3) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0549 K(o=-0.055,f=-1.7!) USER MOD Single : A 70 THR OG1 : rot 34:sc= 0.666 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -114:sc= -0.747 (180deg=-4.12!) USER MOD Single : A 89 TYR OH : rot 30:sc= -1.11 USER MOD Single : A 90 THR OG1 : rot 36:sc= 0.0389 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.057 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -2.51! C(o=-2.5!,f=-2!) USER MOD Single : A 101 LYS NZ :NH3+ 173:sc= 0.28 (180deg=0.212) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.7) USER MOD Single : A 122 MET CE :methyl -163:sc= -0.499 (180deg=-1.07) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ -127:sc= 0 (180deg=-1.53!) USER MOD Single : A 127 LYS NZ :NH3+ 156:sc= -1.14 (180deg=-2.06!) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 13 -7.105 -9.131 2.986 1.00 0.00 N ATOM 145 CA LYS A 13 -6.002 -10.082 3.054 1.00 0.00 C ATOM 146 C LYS A 13 -4.668 -9.386 2.807 1.00 0.00 C ATOM 147 O LYS A 13 -3.646 -9.764 3.379 1.00 0.00 O ATOM 148 CB LYS A 13 -6.203 -11.202 2.030 1.00 0.00 C ATOM 149 CG LYS A 13 -7.292 -12.189 2.413 1.00 0.00 C ATOM 150 CD LYS A 13 -7.668 -13.085 1.245 1.00 0.00 C ATOM 151 CE LYS A 13 -8.173 -14.438 1.722 1.00 0.00 C ATOM 152 NZ LYS A 13 -8.255 -15.423 0.608 1.00 0.00 N ATOM 0 HA LYS A 13 -5.987 -10.512 4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.448 -10.760 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.264 -11.741 1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.952 -12.802 3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.173 -11.646 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.437 -12.599 0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.801 -13.226 0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.509 -14.821 2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.157 -14.319 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.603 -16.332 0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.908 -15.070 -0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.311 -15.556 0.192 1.00 0.00 H new ATOM 166 N GLN A 14 -4.686 -8.368 1.953 1.00 0.00 N ATOM 167 CA GLN A 14 -3.476 -7.619 1.631 1.00 0.00 C ATOM 168 C GLN A 14 -3.139 -6.629 2.741 1.00 0.00 C ATOM 169 O GLN A 14 -1.971 -6.443 3.088 1.00 0.00 O ATOM 170 CB GLN A 14 -3.648 -6.878 0.305 1.00 0.00 C ATOM 171 CG GLN A 14 -3.703 -7.798 -0.904 1.00 0.00 C ATOM 172 CD GLN A 14 -4.598 -9.001 -0.681 1.00 0.00 C ATOM 173 OE1 GLN A 14 -5.820 -8.912 -0.805 1.00 0.00 O ATOM 174 NE2 GLN A 14 -3.993 -10.136 -0.349 1.00 0.00 N ATOM 0 H GLN A 14 -5.524 -8.043 1.472 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.653 -8.328 1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.564 -6.288 0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.823 -6.177 0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.063 -7.237 -1.767 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.696 -8.139 -1.143 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.978 -10.165 -0.257 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.544 -10.979 -0.186 1.00 0.00 H new ATOM 183 N LEU A 15 -4.166 -5.995 3.294 1.00 0.00 N ATOM 184 CA LEU A 15 -3.979 -5.022 4.365 1.00 0.00 C ATOM 185 C LEU A 15 -3.471 -5.700 5.634 1.00 0.00 C ATOM 186 O LEU A 15 -2.582 -5.185 6.313 1.00 0.00 O ATOM 187 CB LEU A 15 -5.292 -4.293 4.654 1.00 0.00 C ATOM 188 CG LEU A 15 -6.204 -4.940 5.697 1.00 0.00 C ATOM 189 CD1 LEU A 15 -5.686 -4.668 7.101 1.00 0.00 C ATOM 190 CD2 LEU A 15 -7.631 -4.433 5.546 1.00 0.00 C ATOM 0 H LEU A 15 -5.138 -6.137 3.019 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.233 -4.298 4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.057 -3.281 4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.848 -4.203 3.721 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.203 -6.018 5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.348 -5.136 7.830 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.682 -5.080 7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.656 -3.593 7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.266 -4.904 6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.649 -3.352 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.001 -4.680 4.551 1.00 0.00 H new ATOM 202 N LYS A 16 -4.039 -6.860 5.947 1.00 0.00 N ATOM 203 CA LYS A 16 -3.642 -7.612 7.131 1.00 0.00 C ATOM 204 C LYS A 16 -2.211 -8.124 6.997 1.00 0.00 C ATOM 205 O LYS A 16 -1.472 -8.195 7.978 1.00 0.00 O ATOM 206 CB LYS A 16 -4.596 -8.786 7.358 1.00 0.00 C ATOM 207 CG LYS A 16 -4.179 -10.057 6.637 1.00 0.00 C ATOM 208 CD LYS A 16 -5.204 -11.164 6.821 1.00 0.00 C ATOM 209 CE LYS A 16 -4.816 -12.416 6.050 1.00 0.00 C ATOM 210 NZ LYS A 16 -3.737 -13.178 6.736 1.00 0.00 N ATOM 0 H LYS A 16 -4.776 -7.300 5.396 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.690 -6.942 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.661 -8.989 8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.595 -8.501 7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.053 -9.849 5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.212 -10.389 7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.298 -11.402 7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.181 -10.816 6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.691 -13.054 5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.485 -12.138 5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.501 -14.024 6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.893 -12.578 6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.062 -13.466 7.681 1.00 0.00 H new ATOM 224 N VAL A 17 -1.827 -8.479 5.775 1.00 0.00 N ATOM 225 CA VAL A 17 -0.484 -8.982 5.511 1.00 0.00 C ATOM 226 C VAL A 17 0.533 -7.846 5.485 1.00 0.00 C ATOM 227 O VAL A 17 1.645 -7.982 5.996 1.00 0.00 O ATOM 228 CB VAL A 17 -0.422 -9.743 4.174 1.00 0.00 C ATOM 229 CG1 VAL A 17 1.022 -9.932 3.733 1.00 0.00 C ATOM 230 CG2 VAL A 17 -1.133 -11.083 4.291 1.00 0.00 C ATOM 0 H VAL A 17 -2.427 -8.428 4.952 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.238 -9.668 6.322 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.933 -9.151 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.046 -10.472 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.494 -8.958 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.562 -10.502 4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.080 -11.608 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.652 -11.684 5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.177 -10.919 4.557 1.00 0.00 H new ATOM 240 N LEU A 18 0.144 -6.725 4.886 1.00 0.00 N ATOM 241 CA LEU A 18 1.022 -5.564 4.793 1.00 0.00 C ATOM 242 C LEU A 18 1.392 -5.048 6.180 1.00 0.00 C ATOM 243 O LEU A 18 2.549 -4.718 6.443 1.00 0.00 O ATOM 244 CB LEU A 18 0.346 -4.453 3.987 1.00 0.00 C ATOM 245 CG LEU A 18 0.461 -4.562 2.466 1.00 0.00 C ATOM 246 CD1 LEU A 18 -0.586 -3.691 1.788 1.00 0.00 C ATOM 247 CD2 LEU A 18 1.859 -4.173 2.008 1.00 0.00 C ATOM 0 H LEU A 18 -0.773 -6.596 4.458 1.00 0.00 H new ATOM 0 HA LEU A 18 1.936 -5.870 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.711 -4.432 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.770 -3.498 4.296 1.00 0.00 H new ATOM 0 HG LEU A 18 0.282 -5.599 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.489 -3.781 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.581 -4.016 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.439 -2.651 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.923 -4.256 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.067 -3.145 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.590 -4.838 2.467 1.00 0.00 H new ATOM 259 N LEU A 19 0.403 -4.984 7.065 1.00 0.00 N ATOM 260 CA LEU A 19 0.625 -4.511 8.427 1.00 0.00 C ATOM 261 C LEU A 19 1.604 -5.418 9.166 1.00 0.00 C ATOM 262 O LEU A 19 2.624 -4.960 9.679 1.00 0.00 O ATOM 263 CB LEU A 19 -0.701 -4.445 9.187 1.00 0.00 C ATOM 264 CG LEU A 19 -1.679 -3.359 8.737 1.00 0.00 C ATOM 265 CD1 LEU A 19 -3.042 -3.571 9.377 1.00 0.00 C ATOM 266 CD2 LEU A 19 -1.137 -1.979 9.077 1.00 0.00 C ATOM 0 H LEU A 19 -0.560 -5.254 6.864 1.00 0.00 H new ATOM 0 HA LEU A 19 1.056 -3.511 8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.196 -5.412 9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.484 -4.295 10.244 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.794 -3.425 7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.725 -2.789 9.046 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.435 -4.544 9.083 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.945 -3.532 10.462 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.846 -1.219 8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.992 -1.900 10.154 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.183 -1.828 8.571 1.00 0.00 H new ATOM 278 N SER A 20 1.286 -6.708 9.214 1.00 0.00 N ATOM 279 CA SER A 20 2.136 -7.680 9.891 1.00 0.00 C ATOM 280 C SER A 20 3.611 -7.347 9.687 1.00 0.00 C ATOM 281 O SER A 20 4.407 -7.402 10.623 1.00 0.00 O ATOM 282 CB SER A 20 1.844 -9.091 9.377 1.00 0.00 C ATOM 283 OG SER A 20 2.234 -10.070 10.324 1.00 0.00 O ATOM 0 H SER A 20 0.446 -7.104 8.792 1.00 0.00 H new ATOM 0 HA SER A 20 1.916 -7.637 10.958 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.780 -9.191 9.164 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.374 -9.257 8.439 1.00 0.00 H new ATOM 0 HG SER A 20 2.035 -10.963 9.972 1.00 0.00 H new ATOM 289 N GLY A 21 3.968 -7.001 8.453 1.00 0.00 N ATOM 290 CA GLY A 21 5.346 -6.664 8.147 1.00 0.00 C ATOM 291 C GLY A 21 6.147 -7.866 7.686 1.00 0.00 C ATOM 292 O GLY A 21 6.111 -8.923 8.315 1.00 0.00 O ATOM 0 H GLY A 21 3.328 -6.948 7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.366 -5.898 7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.817 -6.235 9.031 1.00 0.00 H new ATOM 296 N ALA A 22 6.871 -7.705 6.583 1.00 0.00 N ATOM 297 CA ALA A 22 7.685 -8.784 6.039 1.00 0.00 C ATOM 298 C ALA A 22 9.150 -8.373 5.944 1.00 0.00 C ATOM 299 O ALA A 22 9.466 -7.195 5.773 1.00 0.00 O ATOM 300 CB ALA A 22 7.162 -9.202 4.673 1.00 0.00 C ATOM 0 H ALA A 22 6.910 -6.837 6.049 1.00 0.00 H new ATOM 0 HA ALA A 22 7.617 -9.634 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.779 -10.009 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.132 -9.546 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.199 -8.351 3.993 1.00 0.00 H new ATOM 306 N THR A 23 10.043 -9.352 6.057 1.00 0.00 N ATOM 307 CA THR A 23 11.476 -9.091 5.985 1.00 0.00 C ATOM 308 C THR A 23 11.932 -8.919 4.541 1.00 0.00 C ATOM 309 O THR A 23 11.401 -9.557 3.631 1.00 0.00 O ATOM 310 CB THR A 23 12.286 -10.228 6.636 1.00 0.00 C ATOM 311 OG1 THR A 23 11.775 -10.508 7.943 1.00 0.00 O ATOM 312 CG2 THR A 23 13.759 -9.857 6.730 1.00 0.00 C ATOM 0 H THR A 23 9.799 -10.332 6.199 1.00 0.00 H new ATOM 0 HA THR A 23 11.657 -8.166 6.532 1.00 0.00 H new ATOM 0 HB THR A 23 12.190 -11.116 6.012 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.294 -11.233 8.349 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.311 -10.675 7.193 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.153 -9.673 5.730 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.870 -8.957 7.334 1.00 0.00 H new ATOM 320 N PHE A 24 12.919 -8.053 4.336 1.00 0.00 N ATOM 321 CA PHE A 24 13.447 -7.797 3.001 1.00 0.00 C ATOM 322 C PHE A 24 14.851 -7.204 3.076 1.00 0.00 C ATOM 323 O PHE A 24 15.226 -6.592 4.077 1.00 0.00 O ATOM 324 CB PHE A 24 12.520 -6.850 2.237 1.00 0.00 C ATOM 325 CG PHE A 24 11.127 -7.383 2.065 1.00 0.00 C ATOM 326 CD1 PHE A 24 10.873 -8.428 1.190 1.00 0.00 C ATOM 327 CD2 PHE A 24 10.070 -6.841 2.779 1.00 0.00 C ATOM 328 CE1 PHE A 24 9.592 -8.920 1.030 1.00 0.00 C ATOM 329 CE2 PHE A 24 8.787 -7.329 2.623 1.00 0.00 C ATOM 330 CZ PHE A 24 8.547 -8.370 1.748 1.00 0.00 C ATOM 0 H PHE A 24 13.369 -7.517 5.077 1.00 0.00 H new ATOM 0 HA PHE A 24 13.502 -8.747 2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.473 -5.897 2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 24 12.948 -6.650 1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 24 11.686 -8.862 0.627 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.251 -6.027 3.466 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.407 -9.734 0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.972 -6.897 3.185 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.545 -8.754 1.625 1.00 0.00 H new ATOM 340 N LEU A 25 15.622 -7.388 2.010 1.00 0.00 N ATOM 341 CA LEU A 25 16.985 -6.872 1.954 1.00 0.00 C ATOM 342 C LEU A 25 17.012 -5.472 1.349 1.00 0.00 C ATOM 343 O LEU A 25 16.564 -5.263 0.221 1.00 0.00 O ATOM 344 CB LEU A 25 17.874 -7.811 1.136 1.00 0.00 C ATOM 345 CG LEU A 25 18.373 -9.062 1.859 1.00 0.00 C ATOM 346 CD1 LEU A 25 19.029 -10.020 0.877 1.00 0.00 C ATOM 347 CD2 LEU A 25 19.344 -8.685 2.969 1.00 0.00 C ATOM 0 H LEU A 25 15.327 -7.891 1.173 1.00 0.00 H new ATOM 0 HA LEU A 25 17.368 -6.815 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.320 -8.124 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.740 -7.248 0.788 1.00 0.00 H new ATOM 0 HG LEU A 25 17.516 -9.565 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.378 -10.905 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.305 -10.316 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.875 -9.527 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.689 -9.588 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.198 -8.159 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.841 -8.038 3.688 1.00 0.00 H new ATOM 359 N VAL A 26 17.544 -4.516 2.105 1.00 0.00 N ATOM 360 CA VAL A 26 17.633 -3.137 1.642 1.00 0.00 C ATOM 361 C VAL A 26 19.082 -2.731 1.400 1.00 0.00 C ATOM 362 O VAL A 26 19.951 -2.955 2.243 1.00 0.00 O ATOM 363 CB VAL A 26 17.001 -2.163 2.655 1.00 0.00 C ATOM 364 CG1 VAL A 26 17.164 -0.725 2.186 1.00 0.00 C ATOM 365 CG2 VAL A 26 15.533 -2.499 2.872 1.00 0.00 C ATOM 0 H VAL A 26 17.920 -4.672 3.040 1.00 0.00 H new ATOM 0 HA VAL A 26 17.082 -3.082 0.703 1.00 0.00 H new ATOM 0 HB VAL A 26 17.519 -2.270 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.712 -0.051 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.224 -0.493 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.673 -0.599 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.102 -1.801 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.998 -2.421 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.445 -3.515 3.256 1.00 0.00 H new ATOM 375 N THR A 27 19.338 -2.131 0.241 1.00 0.00 N ATOM 376 CA THR A 27 20.682 -1.694 -0.113 1.00 0.00 C ATOM 377 C THR A 27 20.714 -0.198 -0.407 1.00 0.00 C ATOM 378 O THR A 27 20.255 0.248 -1.459 1.00 0.00 O ATOM 379 CB THR A 27 21.217 -2.458 -1.339 1.00 0.00 C ATOM 380 OG1 THR A 27 20.913 -3.852 -1.217 1.00 0.00 O ATOM 381 CG2 THR A 27 22.720 -2.272 -1.479 1.00 0.00 C ATOM 0 H THR A 27 18.631 -1.937 -0.468 1.00 0.00 H new ATOM 0 HA THR A 27 21.320 -1.907 0.745 1.00 0.00 H new ATOM 0 HB THR A 27 20.733 -2.057 -2.230 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.255 -4.331 -2.001 1.00 0.00 H new ATOM 0 HG21 THR A 27 23.075 -2.821 -2.351 1.00 0.00 H new ATOM 0 HG22 THR A 27 22.946 -1.213 -1.600 1.00 0.00 H new ATOM 0 HG23 THR A 27 23.218 -2.649 -0.586 1.00 0.00 H new ATOM 389 N PHE A 28 21.260 0.572 0.528 1.00 0.00 N ATOM 390 CA PHE A 28 21.352 2.019 0.368 1.00 0.00 C ATOM 391 C PHE A 28 22.494 2.391 -0.573 1.00 0.00 C ATOM 392 O PHE A 28 23.375 1.578 -0.849 1.00 0.00 O ATOM 393 CB PHE A 28 21.557 2.691 1.727 1.00 0.00 C ATOM 394 CG PHE A 28 20.398 2.512 2.665 1.00 0.00 C ATOM 395 CD1 PHE A 28 19.272 3.313 2.557 1.00 0.00 C ATOM 396 CD2 PHE A 28 20.433 1.543 3.655 1.00 0.00 C ATOM 397 CE1 PHE A 28 18.204 3.151 3.420 1.00 0.00 C ATOM 398 CE2 PHE A 28 19.368 1.376 4.520 1.00 0.00 C ATOM 399 CZ PHE A 28 18.252 2.181 4.402 1.00 0.00 C ATOM 0 H PHE A 28 21.645 0.219 1.404 1.00 0.00 H new ATOM 0 HA PHE A 28 20.417 2.372 -0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 28 22.456 2.286 2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 28 21.729 3.756 1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 28 19.228 4.072 1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 28 21.303 0.911 3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 28 17.333 3.782 3.326 1.00 0.00 H new ATOM 0 HE2 PHE A 28 19.408 0.617 5.287 1.00 0.00 H new ATOM 0 HZ PHE A 28 17.418 2.052 5.076 1.00 0.00 H new ATOM 409 N GLY A 29 22.470 3.626 -1.064 1.00 0.00 N ATOM 410 CA GLY A 29 23.507 4.085 -1.970 1.00 0.00 C ATOM 411 C GLY A 29 24.892 3.993 -1.359 1.00 0.00 C ATOM 412 O GLY A 29 25.879 3.810 -2.070 1.00 0.00 O ATOM 0 H GLY A 29 21.751 4.317 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.476 3.491 -2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 29 23.306 5.118 -2.254 1.00 0.00 H new ATOM 416 N ASN A 30 24.964 4.123 -0.039 1.00 0.00 N ATOM 417 CA ASN A 30 26.239 4.056 0.667 1.00 0.00 C ATOM 418 C ASN A 30 26.622 2.609 0.962 1.00 0.00 C ATOM 419 O ASN A 30 27.796 2.242 0.902 1.00 0.00 O ATOM 420 CB ASN A 30 26.166 4.853 1.971 1.00 0.00 C ATOM 421 CG ASN A 30 24.808 4.747 2.638 1.00 0.00 C ATOM 422 OD1 ASN A 30 24.284 3.650 2.835 1.00 0.00 O ATOM 423 ND2 ASN A 30 24.230 5.890 2.988 1.00 0.00 N ATOM 0 H ASN A 30 24.155 4.275 0.564 1.00 0.00 H new ATOM 0 HA ASN A 30 27.005 4.492 0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 30 26.934 4.494 2.657 1.00 0.00 H new ATOM 0 HB3 ASN A 30 26.386 5.901 1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 30 23.315 5.882 3.439 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.701 6.776 2.806 1.00 0.00 H new ATOM 430 N SER A 31 25.624 1.792 1.281 1.00 0.00 N ATOM 431 CA SER A 31 25.856 0.385 1.588 1.00 0.00 C ATOM 432 C SER A 31 25.756 -0.470 0.329 1.00 0.00 C ATOM 433 O SER A 31 24.730 -0.473 -0.352 1.00 0.00 O ATOM 434 CB SER A 31 24.849 -0.103 2.632 1.00 0.00 C ATOM 435 OG SER A 31 24.809 0.768 3.748 1.00 0.00 O ATOM 0 H SER A 31 24.647 2.080 1.334 1.00 0.00 H new ATOM 0 HA SER A 31 26.864 0.288 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 31 23.858 -0.169 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 31 25.118 -1.107 2.960 1.00 0.00 H new ATOM 0 HG SER A 31 24.487 1.649 3.464 1.00 0.00 H new ATOM 441 N GLU A 32 26.828 -1.194 0.026 1.00 0.00 N ATOM 442 CA GLU A 32 26.862 -2.053 -1.152 1.00 0.00 C ATOM 443 C GLU A 32 26.272 -3.426 -0.841 1.00 0.00 C ATOM 444 O GLU A 32 25.720 -4.091 -1.718 1.00 0.00 O ATOM 445 CB GLU A 32 28.298 -2.206 -1.658 1.00 0.00 C ATOM 446 CG GLU A 32 28.920 -0.901 -2.126 1.00 0.00 C ATOM 447 CD GLU A 32 28.631 -0.607 -3.585 1.00 0.00 C ATOM 448 OE1 GLU A 32 29.066 -1.399 -4.448 1.00 0.00 O ATOM 449 OE2 GLU A 32 27.971 0.416 -3.864 1.00 0.00 O ATOM 0 H GLU A 32 27.685 -1.203 0.580 1.00 0.00 H new ATOM 0 HA GLU A 32 26.258 -1.584 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 32 28.912 -2.627 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 32 28.310 -2.920 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 32 28.543 -0.083 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 32 29.999 -0.942 -1.974 1.00 0.00 H new ATOM 456 N LYS A 33 26.393 -3.845 0.414 1.00 0.00 N ATOM 457 CA LYS A 33 25.872 -5.137 0.843 1.00 0.00 C ATOM 458 C LYS A 33 24.463 -4.995 1.410 1.00 0.00 C ATOM 459 O LYS A 33 24.156 -4.059 2.148 1.00 0.00 O ATOM 460 CB LYS A 33 26.795 -5.759 1.894 1.00 0.00 C ATOM 461 CG LYS A 33 26.070 -6.642 2.894 1.00 0.00 C ATOM 462 CD LYS A 33 27.044 -7.365 3.809 1.00 0.00 C ATOM 463 CE LYS A 33 27.505 -8.682 3.203 1.00 0.00 C ATOM 464 NZ LYS A 33 26.364 -9.603 2.945 1.00 0.00 N ATOM 0 H LYS A 33 26.848 -3.308 1.152 1.00 0.00 H new ATOM 0 HA LYS A 33 25.830 -5.791 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.561 -6.349 1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 33 27.309 -4.962 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 33 25.391 -6.034 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 33 25.460 -7.372 2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.908 -6.728 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.569 -7.553 4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 33 28.033 -8.487 2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 33 28.215 -9.163 3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 26.568 -10.534 3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.500 -9.214 3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.226 -9.706 1.919 1.00 0.00 H new ATOM 478 N PRO A 34 23.584 -5.946 1.058 1.00 0.00 N ATOM 479 CA PRO A 34 22.194 -5.949 1.522 1.00 0.00 C ATOM 480 C PRO A 34 22.080 -6.257 3.011 1.00 0.00 C ATOM 481 O PRO A 34 22.799 -7.108 3.534 1.00 0.00 O ATOM 482 CB PRO A 34 21.546 -7.062 0.695 1.00 0.00 C ATOM 483 CG PRO A 34 22.671 -7.971 0.336 1.00 0.00 C ATOM 484 CD PRO A 34 23.881 -7.091 0.181 1.00 0.00 C ATOM 0 HA PRO A 34 21.721 -4.975 1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.781 -7.586 1.267 1.00 0.00 H new ATOM 0 HB3 PRO A 34 21.060 -6.662 -0.195 1.00 0.00 H new ATOM 0 HG2 PRO A 34 22.830 -8.720 1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 34 22.459 -8.509 -0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 34 24.793 -7.604 0.485 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.021 -6.779 -0.854 1.00 0.00 H new ATOM 492 N GLU A 35 21.172 -5.561 3.687 1.00 0.00 N ATOM 493 CA GLU A 35 20.966 -5.761 5.117 1.00 0.00 C ATOM 494 C GLU A 35 19.531 -6.194 5.404 1.00 0.00 C ATOM 495 O GLU A 35 18.584 -5.689 4.800 1.00 0.00 O ATOM 496 CB GLU A 35 21.287 -4.478 5.886 1.00 0.00 C ATOM 497 CG GLU A 35 21.370 -4.674 7.390 1.00 0.00 C ATOM 498 CD GLU A 35 21.486 -3.364 8.144 1.00 0.00 C ATOM 499 OE1 GLU A 35 22.511 -2.670 7.974 1.00 0.00 O ATOM 500 OE2 GLU A 35 20.553 -3.032 8.905 1.00 0.00 O ATOM 0 H GLU A 35 20.568 -4.854 3.268 1.00 0.00 H new ATOM 0 HA GLU A 35 21.639 -6.552 5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 35 22.235 -4.077 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 35 20.523 -3.732 5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 35 20.484 -5.209 7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 35 22.231 -5.301 7.624 1.00 0.00 H new ATOM 507 N THR A 36 19.377 -7.135 6.332 1.00 0.00 N ATOM 508 CA THR A 36 18.060 -7.638 6.699 1.00 0.00 C ATOM 509 C THR A 36 17.255 -6.579 7.444 1.00 0.00 C ATOM 510 O THR A 36 17.534 -6.278 8.605 1.00 0.00 O ATOM 511 CB THR A 36 18.165 -8.899 7.576 1.00 0.00 C ATOM 512 OG1 THR A 36 19.140 -9.795 7.032 1.00 0.00 O ATOM 513 CG2 THR A 36 16.820 -9.604 7.674 1.00 0.00 C ATOM 0 H THR A 36 20.149 -7.563 6.843 1.00 0.00 H new ATOM 0 HA THR A 36 17.549 -7.892 5.771 1.00 0.00 H new ATOM 0 HB THR A 36 18.471 -8.594 8.577 1.00 0.00 H new ATOM 0 HG1 THR A 36 19.202 -10.593 7.597 1.00 0.00 H new ATOM 0 HG21 THR A 36 16.919 -10.492 8.299 1.00 0.00 H new ATOM 0 HG22 THR A 36 16.087 -8.929 8.116 1.00 0.00 H new ATOM 0 HG23 THR A 36 16.489 -9.897 6.677 1.00 0.00 H new ATOM 521 N MET A 37 16.256 -6.019 6.771 1.00 0.00 N ATOM 522 CA MET A 37 15.409 -4.995 7.372 1.00 0.00 C ATOM 523 C MET A 37 13.938 -5.386 7.284 1.00 0.00 C ATOM 524 O MET A 37 13.569 -6.292 6.537 1.00 0.00 O ATOM 525 CB MET A 37 15.634 -3.648 6.682 1.00 0.00 C ATOM 526 CG MET A 37 17.077 -3.172 6.733 1.00 0.00 C ATOM 527 SD MET A 37 17.282 -1.505 6.076 1.00 0.00 S ATOM 528 CE MET A 37 16.447 -0.541 7.334 1.00 0.00 C ATOM 0 H MET A 37 16.013 -6.257 5.809 1.00 0.00 H new ATOM 0 HA MET A 37 15.680 -4.906 8.424 1.00 0.00 H new ATOM 0 HB2 MET A 37 15.323 -3.726 5.640 1.00 0.00 H new ATOM 0 HB3 MET A 37 14.996 -2.898 7.150 1.00 0.00 H new ATOM 0 HG2 MET A 37 17.428 -3.197 7.765 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.703 -3.861 6.166 1.00 0.00 H new ATOM 0 HE1 MET A 37 15.674 0.071 6.870 1.00 0.00 H new ATOM 0 HE2 MET A 37 15.990 -1.211 8.062 1.00 0.00 H new ATOM 0 HE3 MET A 37 17.168 0.104 7.836 1.00 0.00 H new ATOM 538 N THR A 38 13.099 -4.696 8.051 1.00 0.00 N ATOM 539 CA THR A 38 11.669 -4.972 8.061 1.00 0.00 C ATOM 540 C THR A 38 10.882 -3.818 7.449 1.00 0.00 C ATOM 541 O THR A 38 11.152 -2.650 7.735 1.00 0.00 O ATOM 542 CB THR A 38 11.155 -5.227 9.490 1.00 0.00 C ATOM 543 OG1 THR A 38 11.940 -6.248 10.117 1.00 0.00 O ATOM 544 CG2 THR A 38 9.692 -5.644 9.473 1.00 0.00 C ATOM 0 H THR A 38 13.387 -3.941 8.674 1.00 0.00 H new ATOM 0 HA THR A 38 11.517 -5.870 7.463 1.00 0.00 H new ATOM 0 HB THR A 38 11.245 -4.300 10.056 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.608 -6.404 11.026 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.352 -5.819 10.494 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.093 -4.853 9.021 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.581 -6.560 8.892 1.00 0.00 H new ATOM 552 N CYS A 39 9.909 -4.151 6.608 1.00 0.00 N ATOM 553 CA CYS A 39 9.083 -3.141 5.956 1.00 0.00 C ATOM 554 C CYS A 39 7.608 -3.351 6.284 1.00 0.00 C ATOM 555 O CYS A 39 7.054 -4.422 6.039 1.00 0.00 O ATOM 556 CB CYS A 39 9.292 -3.182 4.442 1.00 0.00 C ATOM 557 SG CYS A 39 8.726 -1.697 3.579 1.00 0.00 S ATOM 0 H CYS A 39 9.673 -5.112 6.362 1.00 0.00 H new ATOM 0 HA CYS A 39 9.384 -2.163 6.331 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.352 -3.327 4.236 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.767 -4.047 4.037 1.00 0.00 H new ATOM 0 HG CYS A 39 7.766 -2.010 2.760 1.00 0.00 H new ATOM 563 N ARG A 40 6.979 -2.321 6.842 1.00 0.00 N ATOM 564 CA ARG A 40 5.570 -2.394 7.206 1.00 0.00 C ATOM 565 C ARG A 40 4.861 -1.077 6.901 1.00 0.00 C ATOM 566 O ARG A 40 5.504 -0.051 6.675 1.00 0.00 O ATOM 567 CB ARG A 40 5.422 -2.733 8.690 1.00 0.00 C ATOM 568 CG ARG A 40 5.640 -1.544 9.612 1.00 0.00 C ATOM 569 CD ARG A 40 6.165 -1.981 10.970 1.00 0.00 C ATOM 570 NE ARG A 40 6.015 -0.935 11.978 1.00 0.00 N ATOM 571 CZ ARG A 40 6.517 -1.018 13.205 1.00 0.00 C ATOM 572 NH1 ARG A 40 7.198 -2.094 13.574 1.00 0.00 N ATOM 573 NH2 ARG A 40 6.337 -0.024 14.065 1.00 0.00 N ATOM 0 H ARG A 40 7.423 -1.427 7.051 1.00 0.00 H new ATOM 0 HA ARG A 40 5.107 -3.182 6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.425 -3.138 8.864 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.134 -3.517 8.948 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.346 -0.851 9.154 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.702 -1.005 9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.632 -2.875 11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.217 -2.251 10.882 1.00 0.00 H new ATOM 0 HE ARG A 40 5.496 -0.094 11.726 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.337 -2.860 12.915 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.583 -2.156 14.517 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.813 0.805 13.784 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.723 -0.089 15.007 1.00 0.00 H new ATOM 587 N LEU A 41 3.533 -1.114 6.896 1.00 0.00 N ATOM 588 CA LEU A 41 2.736 0.076 6.618 1.00 0.00 C ATOM 589 C LEU A 41 2.143 0.646 7.903 1.00 0.00 C ATOM 590 O LEU A 41 2.138 -0.013 8.942 1.00 0.00 O ATOM 591 CB LEU A 41 1.617 -0.255 5.630 1.00 0.00 C ATOM 592 CG LEU A 41 1.958 -0.085 4.149 1.00 0.00 C ATOM 593 CD1 LEU A 41 1.048 -0.949 3.289 1.00 0.00 C ATOM 594 CD2 LEU A 41 1.849 1.377 3.741 1.00 0.00 C ATOM 0 H LEU A 41 2.986 -1.955 7.081 1.00 0.00 H new ATOM 0 HA LEU A 41 3.391 0.827 6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.307 -1.287 5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.758 0.376 5.859 1.00 0.00 H new ATOM 0 HG LEU A 41 2.987 -0.410 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.305 -0.815 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.175 -1.996 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.010 -0.656 3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.095 1.479 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.831 1.728 3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.543 1.973 4.334 1.00 0.00 H new ATOM 606 N SER A 42 1.642 1.875 7.823 1.00 0.00 N ATOM 607 CA SER A 42 1.048 2.535 8.979 1.00 0.00 C ATOM 608 C SER A 42 -0.349 1.988 9.258 1.00 0.00 C ATOM 609 O SER A 42 -0.850 1.134 8.529 1.00 0.00 O ATOM 610 CB SER A 42 0.981 4.046 8.752 1.00 0.00 C ATOM 611 OG SER A 42 0.866 4.742 9.981 1.00 0.00 O ATOM 0 H SER A 42 1.636 2.433 6.969 1.00 0.00 H new ATOM 0 HA SER A 42 1.678 2.333 9.845 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.876 4.378 8.225 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.129 4.284 8.115 1.00 0.00 H new ATOM 0 HG SER A 42 0.827 5.706 9.809 1.00 0.00 H new ATOM 617 N ASN A 43 -0.972 2.489 10.320 1.00 0.00 N ATOM 618 CA ASN A 43 -2.312 2.051 10.697 1.00 0.00 C ATOM 619 C ASN A 43 -3.230 2.002 9.480 1.00 0.00 C ATOM 620 O ASN A 43 -3.801 0.959 9.162 1.00 0.00 O ATOM 621 CB ASN A 43 -2.898 2.988 11.755 1.00 0.00 C ATOM 622 CG ASN A 43 -1.998 3.126 12.967 1.00 0.00 C ATOM 623 OD1 ASN A 43 -1.079 3.946 12.982 1.00 0.00 O ATOM 624 ND2 ASN A 43 -2.258 2.323 13.992 1.00 0.00 N ATOM 0 H ASN A 43 -0.571 3.198 10.934 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.236 1.046 11.113 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.063 3.971 11.314 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.872 2.613 12.070 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.686 2.371 14.835 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.030 1.658 13.936 1.00 0.00 H new ATOM 631 N ASN A 44 -3.368 3.137 8.802 1.00 0.00 N ATOM 632 CA ASN A 44 -4.217 3.224 7.620 1.00 0.00 C ATOM 633 C ASN A 44 -3.391 3.077 6.345 1.00 0.00 C ATOM 634 O ASN A 44 -3.852 3.413 5.255 1.00 0.00 O ATOM 635 CB ASN A 44 -4.969 4.556 7.603 1.00 0.00 C ATOM 636 CG ASN A 44 -6.303 4.476 8.319 1.00 0.00 C ATOM 637 OD1 ASN A 44 -6.887 3.400 8.449 1.00 0.00 O ATOM 638 ND2 ASN A 44 -6.792 5.619 8.788 1.00 0.00 N ATOM 0 H ASN A 44 -2.902 4.010 9.051 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.938 2.408 7.661 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.353 5.324 8.072 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.132 4.865 6.570 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.686 5.628 9.279 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.273 6.487 8.657 1.00 0.00 H new ATOM 645 N GLN A 45 -2.171 2.571 6.492 1.00 0.00 N ATOM 646 CA GLN A 45 -1.282 2.380 5.353 1.00 0.00 C ATOM 647 C GLN A 45 -1.091 3.684 4.586 1.00 0.00 C ATOM 648 O GLN A 45 -1.157 3.708 3.357 1.00 0.00 O ATOM 649 CB GLN A 45 -1.838 1.302 4.420 1.00 0.00 C ATOM 650 CG GLN A 45 -2.000 -0.054 5.087 1.00 0.00 C ATOM 651 CD GLN A 45 -2.960 -0.960 4.340 1.00 0.00 C ATOM 652 OE1 GLN A 45 -2.546 -1.788 3.528 1.00 0.00 O ATOM 653 NE2 GLN A 45 -4.251 -0.808 4.612 1.00 0.00 N ATOM 0 H GLN A 45 -1.776 2.286 7.388 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.312 2.058 5.732 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.805 1.628 4.038 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.174 1.199 3.561 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.027 -0.540 5.156 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.358 0.087 6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.550 -0.109 5.292 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.943 -1.390 4.141 1.00 0.00 H new ATOM 662 N ARG A 46 -0.855 4.767 5.319 1.00 0.00 N ATOM 663 CA ARG A 46 -0.657 6.076 4.707 1.00 0.00 C ATOM 664 C ARG A 46 0.826 6.347 4.474 1.00 0.00 C ATOM 665 O ARG A 46 1.192 7.270 3.745 1.00 0.00 O ATOM 666 CB ARG A 46 -1.254 7.172 5.592 1.00 0.00 C ATOM 667 CG ARG A 46 -2.767 7.278 5.492 1.00 0.00 C ATOM 668 CD ARG A 46 -3.350 8.049 6.666 1.00 0.00 C ATOM 669 NE ARG A 46 -4.802 7.912 6.744 1.00 0.00 N ATOM 670 CZ ARG A 46 -5.554 8.554 7.631 1.00 0.00 C ATOM 671 NH1 ARG A 46 -4.994 9.373 8.510 1.00 0.00 N ATOM 672 NH2 ARG A 46 -6.869 8.379 7.638 1.00 0.00 N ATOM 0 H ARG A 46 -0.796 4.764 6.337 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.166 6.080 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.979 6.980 6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.812 8.130 5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.037 7.774 4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.202 6.279 5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.902 7.691 7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.090 9.103 6.572 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.264 7.289 6.081 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.983 9.511 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.574 9.865 9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.304 7.751 6.962 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.446 8.872 8.320 1.00 0.00 H new ATOM 686 N TYR A 47 1.676 5.538 5.096 1.00 0.00 N ATOM 687 CA TYR A 47 3.119 5.693 4.959 1.00 0.00 C ATOM 688 C TYR A 47 3.833 4.363 5.179 1.00 0.00 C ATOM 689 O TYR A 47 3.226 3.382 5.612 1.00 0.00 O ATOM 690 CB TYR A 47 3.639 6.734 5.952 1.00 0.00 C ATOM 691 CG TYR A 47 2.801 7.992 6.005 1.00 0.00 C ATOM 692 CD1 TYR A 47 1.721 8.095 6.872 1.00 0.00 C ATOM 693 CD2 TYR A 47 3.091 9.077 5.187 1.00 0.00 C ATOM 694 CE1 TYR A 47 0.952 9.241 6.923 1.00 0.00 C ATOM 695 CE2 TYR A 47 2.328 10.229 5.232 1.00 0.00 C ATOM 696 CZ TYR A 47 1.260 10.306 6.101 1.00 0.00 C ATOM 697 OH TYR A 47 0.498 11.450 6.150 1.00 0.00 O ATOM 0 H TYR A 47 1.390 4.768 5.700 1.00 0.00 H new ATOM 0 HA TYR A 47 3.327 6.033 3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.675 6.289 6.946 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.662 7.000 5.685 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.478 7.264 7.518 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.926 9.019 4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.115 9.303 7.602 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.567 11.064 4.590 1.00 0.00 H new ATOM 0 HH TYR A 47 0.848 12.104 5.510 1.00 0.00 H new ATOM 707 N LEU A 48 5.127 4.337 4.879 1.00 0.00 N ATOM 708 CA LEU A 48 5.927 3.128 5.045 1.00 0.00 C ATOM 709 C LEU A 48 7.043 3.348 6.061 1.00 0.00 C ATOM 710 O LEU A 48 7.583 4.448 6.176 1.00 0.00 O ATOM 711 CB LEU A 48 6.521 2.698 3.702 1.00 0.00 C ATOM 712 CG LEU A 48 5.555 2.026 2.725 1.00 0.00 C ATOM 713 CD1 LEU A 48 6.184 1.914 1.345 1.00 0.00 C ATOM 714 CD2 LEU A 48 5.146 0.654 3.240 1.00 0.00 C ATOM 0 H LEU A 48 5.645 5.139 4.520 1.00 0.00 H new ATOM 0 HA LEU A 48 5.274 2.338 5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.944 3.577 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.346 2.013 3.895 1.00 0.00 H new ATOM 0 HG LEU A 48 4.660 2.644 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.482 1.433 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.426 2.910 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.095 1.318 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.459 0.190 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.031 0.028 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.655 0.760 4.207 1.00 0.00 H new ATOM 726 N PHE A 49 7.386 2.294 6.793 1.00 0.00 N ATOM 727 CA PHE A 49 8.439 2.371 7.799 1.00 0.00 C ATOM 728 C PHE A 49 9.489 1.287 7.571 1.00 0.00 C ATOM 729 O PHE A 49 9.238 0.299 6.879 1.00 0.00 O ATOM 730 CB PHE A 49 7.845 2.235 9.202 1.00 0.00 C ATOM 731 CG PHE A 49 6.669 3.138 9.446 1.00 0.00 C ATOM 732 CD1 PHE A 49 6.696 4.459 9.029 1.00 0.00 C ATOM 733 CD2 PHE A 49 5.538 2.665 10.092 1.00 0.00 C ATOM 734 CE1 PHE A 49 5.615 5.292 9.251 1.00 0.00 C ATOM 735 CE2 PHE A 49 4.455 3.494 10.317 1.00 0.00 C ATOM 736 CZ PHE A 49 4.494 4.809 9.897 1.00 0.00 C ATOM 0 H PHE A 49 6.950 1.376 6.709 1.00 0.00 H new ATOM 0 HA PHE A 49 8.922 3.344 7.710 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.538 1.201 9.359 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.619 2.453 9.938 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.571 4.842 8.525 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.502 1.638 10.423 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.647 6.319 8.920 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.579 3.114 10.821 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.649 5.459 10.073 1.00 0.00 H new ATOM 746 N LEU A 50 10.665 1.479 8.157 1.00 0.00 N ATOM 747 CA LEU A 50 11.755 0.519 8.019 1.00 0.00 C ATOM 748 C LEU A 50 12.532 0.387 9.325 1.00 0.00 C ATOM 749 O LEU A 50 12.745 1.369 10.035 1.00 0.00 O ATOM 750 CB LEU A 50 12.697 0.946 6.892 1.00 0.00 C ATOM 751 CG LEU A 50 12.035 1.289 5.557 1.00 0.00 C ATOM 752 CD1 LEU A 50 12.999 2.054 4.664 1.00 0.00 C ATOM 753 CD2 LEU A 50 11.551 0.025 4.862 1.00 0.00 C ATOM 0 H LEU A 50 10.889 2.291 8.733 1.00 0.00 H new ATOM 0 HA LEU A 50 11.323 -0.452 7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.263 1.815 7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.416 0.144 6.723 1.00 0.00 H new ATOM 0 HG LEU A 50 11.172 1.925 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 50 12.510 2.289 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.297 2.979 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.882 1.443 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.083 0.288 3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.398 -0.636 4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.825 -0.484 5.496 1.00 0.00 H new ATOM 765 N ASP A 51 12.955 -0.834 9.634 1.00 0.00 N ATOM 766 CA ASP A 51 13.713 -1.096 10.852 1.00 0.00 C ATOM 767 C ASP A 51 15.070 -1.712 10.527 1.00 0.00 C ATOM 768 O ASP A 51 15.165 -2.642 9.728 1.00 0.00 O ATOM 769 CB ASP A 51 12.926 -2.024 11.778 1.00 0.00 C ATOM 770 CG ASP A 51 13.304 -1.846 13.235 1.00 0.00 C ATOM 771 OD1 ASP A 51 13.239 -0.701 13.729 1.00 0.00 O ATOM 772 OD2 ASP A 51 13.667 -2.852 13.882 1.00 0.00 O ATOM 0 H ASP A 51 12.786 -1.658 9.057 1.00 0.00 H new ATOM 0 HA ASP A 51 13.879 -0.145 11.358 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.860 -1.834 11.657 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.101 -3.059 11.484 1.00 0.00 H new ATOM 777 N GLY A 52 16.119 -1.185 11.152 1.00 0.00 N ATOM 778 CA GLY A 52 17.456 -1.695 10.915 1.00 0.00 C ATOM 779 C GLY A 52 18.530 -0.805 11.510 1.00 0.00 C ATOM 780 O GLY A 52 18.395 -0.327 12.636 1.00 0.00 O ATOM 0 H GLY A 52 16.066 -0.414 11.818 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.541 -2.695 11.340 1.00 0.00 H new ATOM 0 HA3 GLY A 52 17.620 -1.790 9.842 1.00 0.00 H new ATOM 784 N ASP A 53 19.599 -0.584 10.753 1.00 0.00 N ATOM 785 CA ASP A 53 20.701 0.254 11.213 1.00 0.00 C ATOM 786 C ASP A 53 20.177 1.503 11.915 1.00 0.00 C ATOM 787 O ASP A 53 20.707 1.915 12.947 1.00 0.00 O ATOM 788 CB ASP A 53 21.593 0.652 10.036 1.00 0.00 C ATOM 789 CG ASP A 53 22.709 -0.345 9.793 1.00 0.00 C ATOM 790 OD1 ASP A 53 22.513 -1.540 10.096 1.00 0.00 O ATOM 791 OD2 ASP A 53 23.779 0.071 9.300 1.00 0.00 O ATOM 0 H ASP A 53 19.726 -0.973 9.819 1.00 0.00 H new ATOM 0 HA ASP A 53 21.290 -0.322 11.927 1.00 0.00 H new ATOM 0 HB2 ASP A 53 20.985 0.739 9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 53 22.023 1.635 10.226 1.00 0.00 H new ATOM 796 N SER A 54 19.135 2.102 11.348 1.00 0.00 N ATOM 797 CA SER A 54 18.543 3.307 11.916 1.00 0.00 C ATOM 798 C SER A 54 17.061 3.401 11.568 1.00 0.00 C ATOM 799 O SER A 54 16.570 2.685 10.694 1.00 0.00 O ATOM 800 CB SER A 54 19.278 4.550 11.409 1.00 0.00 C ATOM 801 OG SER A 54 20.626 4.559 11.845 1.00 0.00 O ATOM 0 H SER A 54 18.683 1.772 10.495 1.00 0.00 H new ATOM 0 HA SER A 54 18.640 3.253 13.000 1.00 0.00 H new ATOM 0 HB2 SER A 54 19.245 4.577 10.320 1.00 0.00 H new ATOM 0 HB3 SER A 54 18.771 5.447 11.766 1.00 0.00 H new ATOM 0 HG SER A 54 21.074 5.362 11.507 1.00 0.00 H new ATOM 807 N HIS A 55 16.352 4.289 12.258 1.00 0.00 N ATOM 808 CA HIS A 55 14.925 4.478 12.022 1.00 0.00 C ATOM 809 C HIS A 55 14.680 5.112 10.656 1.00 0.00 C ATOM 810 O HIS A 55 14.733 6.333 10.509 1.00 0.00 O ATOM 811 CB HIS A 55 14.317 5.351 13.119 1.00 0.00 C ATOM 812 CG HIS A 55 14.197 4.656 14.440 1.00 0.00 C ATOM 813 ND1 HIS A 55 14.676 5.191 15.618 1.00 0.00 N ATOM 814 CD2 HIS A 55 13.647 3.463 14.767 1.00 0.00 C ATOM 815 CE1 HIS A 55 14.428 4.356 16.611 1.00 0.00 C ATOM 816 NE2 HIS A 55 13.803 3.300 16.121 1.00 0.00 N ATOM 0 H HIS A 55 16.742 4.889 12.985 1.00 0.00 H new ATOM 0 HA HIS A 55 14.446 3.499 12.040 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.929 6.244 13.242 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.329 5.683 12.801 1.00 0.00 H new ATOM 0 HD2 HIS A 55 13.174 2.769 14.089 1.00 0.00 H new ATOM 0 HE1 HIS A 55 14.691 4.510 17.647 1.00 0.00 H new ATOM 0 HE2 HIS A 55 13.488 2.494 16.661 1.00 0.00 H new ATOM 824 N TYR A 56 14.412 4.275 9.660 1.00 0.00 N ATOM 825 CA TYR A 56 14.162 4.753 8.306 1.00 0.00 C ATOM 826 C TYR A 56 12.665 4.810 8.016 1.00 0.00 C ATOM 827 O TYR A 56 11.896 3.982 8.503 1.00 0.00 O ATOM 828 CB TYR A 56 14.856 3.848 7.286 1.00 0.00 C ATOM 829 CG TYR A 56 16.266 4.281 6.953 1.00 0.00 C ATOM 830 CD1 TYR A 56 16.522 5.548 6.442 1.00 0.00 C ATOM 831 CD2 TYR A 56 17.342 3.424 7.148 1.00 0.00 C ATOM 832 CE1 TYR A 56 17.808 5.948 6.136 1.00 0.00 C ATOM 833 CE2 TYR A 56 18.631 3.816 6.846 1.00 0.00 C ATOM 834 CZ TYR A 56 18.860 5.078 6.340 1.00 0.00 C ATOM 835 OH TYR A 56 20.143 5.472 6.037 1.00 0.00 O ATOM 0 H TYR A 56 14.362 3.262 9.765 1.00 0.00 H new ATOM 0 HA TYR A 56 14.569 5.761 8.223 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.880 2.829 7.673 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.265 3.827 6.370 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.701 6.231 6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.167 2.434 7.543 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.989 6.936 5.739 1.00 0.00 H new ATOM 0 HE2 TYR A 56 19.456 3.137 7.005 1.00 0.00 H new ATOM 0 HH TYR A 56 20.766 4.743 6.240 1.00 0.00 H new ATOM 845 N GLU A 57 12.260 5.793 7.218 1.00 0.00 N ATOM 846 CA GLU A 57 10.856 5.959 6.863 1.00 0.00 C ATOM 847 C GLU A 57 10.714 6.518 5.450 1.00 0.00 C ATOM 848 O GLU A 57 11.342 7.519 5.102 1.00 0.00 O ATOM 849 CB GLU A 57 10.160 6.885 7.862 1.00 0.00 C ATOM 850 CG GLU A 57 10.204 6.379 9.294 1.00 0.00 C ATOM 851 CD GLU A 57 9.994 7.484 10.311 1.00 0.00 C ATOM 852 OE1 GLU A 57 10.516 8.597 10.093 1.00 0.00 O ATOM 853 OE2 GLU A 57 9.306 7.237 11.323 1.00 0.00 O ATOM 0 H GLU A 57 12.884 6.486 6.805 1.00 0.00 H new ATOM 0 HA GLU A 57 10.381 4.978 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.627 7.869 7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.120 7.013 7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.438 5.616 9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.166 5.900 9.477 1.00 0.00 H new ATOM 860 N ILE A 58 9.886 5.865 4.642 1.00 0.00 N ATOM 861 CA ILE A 58 9.662 6.297 3.268 1.00 0.00 C ATOM 862 C ILE A 58 8.213 6.723 3.055 1.00 0.00 C ATOM 863 O ILE A 58 7.326 5.884 2.904 1.00 0.00 O ATOM 864 CB ILE A 58 10.010 5.183 2.263 1.00 0.00 C ATOM 865 CG1 ILE A 58 11.487 4.801 2.384 1.00 0.00 C ATOM 866 CG2 ILE A 58 9.688 5.629 0.845 1.00 0.00 C ATOM 867 CD1 ILE A 58 11.809 3.442 1.804 1.00 0.00 C ATOM 0 H ILE A 58 9.359 5.035 4.915 1.00 0.00 H new ATOM 0 HA ILE A 58 10.319 7.150 3.095 1.00 0.00 H new ATOM 0 HB ILE A 58 9.406 4.305 2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 58 12.091 5.555 1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.773 4.815 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.940 4.831 0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.625 5.857 0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.269 6.519 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.873 3.238 1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.231 2.678 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.555 3.429 0.744 1.00 0.00 H new ATOM 879 N GLU A 59 7.982 8.032 3.044 1.00 0.00 N ATOM 880 CA GLU A 59 6.640 8.568 2.849 1.00 0.00 C ATOM 881 C GLU A 59 6.134 8.269 1.441 1.00 0.00 C ATOM 882 O GLU A 59 6.757 8.654 0.451 1.00 0.00 O ATOM 883 CB GLU A 59 6.629 10.078 3.096 1.00 0.00 C ATOM 884 CG GLU A 59 6.687 10.454 4.567 1.00 0.00 C ATOM 885 CD GLU A 59 8.108 10.594 5.078 1.00 0.00 C ATOM 886 OE1 GLU A 59 8.865 9.605 5.001 1.00 0.00 O ATOM 887 OE2 GLU A 59 8.461 11.693 5.555 1.00 0.00 O ATOM 0 H GLU A 59 8.706 8.740 3.168 1.00 0.00 H new ATOM 0 HA GLU A 59 5.976 8.085 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.477 10.528 2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.727 10.503 2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.156 11.394 4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.167 9.696 5.153 1.00 0.00 H new ATOM 894 N ILE A 60 5.001 7.579 1.360 1.00 0.00 N ATOM 895 CA ILE A 60 4.411 7.228 0.074 1.00 0.00 C ATOM 896 C ILE A 60 4.103 8.475 -0.748 1.00 0.00 C ATOM 897 O ILE A 60 4.258 8.481 -1.969 1.00 0.00 O ATOM 898 CB ILE A 60 3.118 6.411 0.252 1.00 0.00 C ATOM 899 CG1 ILE A 60 3.402 5.131 1.040 1.00 0.00 C ATOM 900 CG2 ILE A 60 2.509 6.081 -1.103 1.00 0.00 C ATOM 901 CD1 ILE A 60 2.153 4.443 1.546 1.00 0.00 C ATOM 0 H ILE A 60 4.474 7.252 2.170 1.00 0.00 H new ATOM 0 HA ILE A 60 5.145 6.620 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 60 2.402 7.010 0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.957 4.439 0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.044 5.371 1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.596 5.503 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.275 7.005 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.219 5.498 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.430 3.543 2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.608 5.118 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.520 4.172 0.701 1.00 0.00 H new ATOM 913 N VAL A 61 3.666 9.531 -0.069 1.00 0.00 N ATOM 914 CA VAL A 61 3.338 10.786 -0.735 1.00 0.00 C ATOM 915 C VAL A 61 4.527 11.312 -1.531 1.00 0.00 C ATOM 916 O VAL A 61 4.363 12.094 -2.469 1.00 0.00 O ATOM 917 CB VAL A 61 2.896 11.860 0.277 1.00 0.00 C ATOM 918 CG1 VAL A 61 1.688 11.383 1.068 1.00 0.00 C ATOM 919 CG2 VAL A 61 4.044 12.220 1.207 1.00 0.00 C ATOM 0 H VAL A 61 3.531 9.542 0.942 1.00 0.00 H new ATOM 0 HA VAL A 61 2.512 10.577 -1.415 1.00 0.00 H new ATOM 0 HB VAL A 61 2.609 12.756 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.390 12.155 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.863 11.180 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.944 10.472 1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.714 12.980 1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.364 11.331 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.878 12.607 0.622 1.00 0.00 H new ATOM 929 N HIS A 62 5.725 10.878 -1.153 1.00 0.00 N ATOM 930 CA HIS A 62 6.943 11.305 -1.833 1.00 0.00 C ATOM 931 C HIS A 62 7.316 10.327 -2.943 1.00 0.00 C ATOM 932 O HIS A 62 7.760 10.734 -4.017 1.00 0.00 O ATOM 933 CB HIS A 62 8.094 11.424 -0.834 1.00 0.00 C ATOM 934 CG HIS A 62 8.021 12.651 0.021 1.00 0.00 C ATOM 935 ND1 HIS A 62 7.309 13.776 -0.337 1.00 0.00 N ATOM 936 CD2 HIS A 62 8.576 12.926 1.225 1.00 0.00 C ATOM 937 CE1 HIS A 62 7.430 14.691 0.609 1.00 0.00 C ATOM 938 NE2 HIS A 62 8.193 14.199 1.568 1.00 0.00 N ATOM 0 H HIS A 62 5.879 10.231 -0.380 1.00 0.00 H new ATOM 0 HA HIS A 62 6.758 12.282 -2.280 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.099 10.543 -0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.038 11.427 -1.379 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.203 12.267 1.807 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.981 15.673 0.599 1.00 0.00 H new ATOM 0 HE2 HIS A 62 8.455 14.686 2.425 1.00 0.00 H new ATOM 946 N ILE A 63 7.133 9.039 -2.677 1.00 0.00 N ATOM 947 CA ILE A 63 7.450 8.004 -3.654 1.00 0.00 C ATOM 948 C ILE A 63 6.951 8.389 -5.043 1.00 0.00 C ATOM 949 O ILE A 63 5.769 8.675 -5.232 1.00 0.00 O ATOM 950 CB ILE A 63 6.836 6.649 -3.258 1.00 0.00 C ATOM 951 CG1 ILE A 63 7.327 6.227 -1.871 1.00 0.00 C ATOM 952 CG2 ILE A 63 7.182 5.588 -4.293 1.00 0.00 C ATOM 953 CD1 ILE A 63 6.692 4.950 -1.368 1.00 0.00 C ATOM 0 H ILE A 63 6.767 8.686 -1.793 1.00 0.00 H new ATOM 0 HA ILE A 63 8.536 7.910 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 63 5.752 6.755 -3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.409 6.098 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.121 7.029 -1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.741 4.636 -3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.788 5.886 -5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.265 5.482 -4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.087 4.712 -0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.612 5.081 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.919 4.135 -2.056 1.00 0.00 H new ATOM 965 N SER A 64 7.861 8.393 -6.012 1.00 0.00 N ATOM 966 CA SER A 64 7.515 8.745 -7.384 1.00 0.00 C ATOM 967 C SER A 64 7.299 7.492 -8.228 1.00 0.00 C ATOM 968 O SER A 64 6.275 7.347 -8.897 1.00 0.00 O ATOM 969 CB SER A 64 8.614 9.608 -8.005 1.00 0.00 C ATOM 970 OG SER A 64 8.247 10.049 -9.301 1.00 0.00 O ATOM 0 H SER A 64 8.843 8.156 -5.872 1.00 0.00 H new ATOM 0 HA SER A 64 6.585 9.314 -7.363 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.808 10.469 -7.366 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.541 9.037 -8.061 1.00 0.00 H new ATOM 0 HG SER A 64 8.966 10.600 -9.675 1.00 0.00 H new ATOM 976 N THR A 65 8.273 6.587 -8.192 1.00 0.00 N ATOM 977 CA THR A 65 8.192 5.347 -8.953 1.00 0.00 C ATOM 978 C THR A 65 7.868 4.165 -8.046 1.00 0.00 C ATOM 979 O THR A 65 8.256 4.142 -6.878 1.00 0.00 O ATOM 980 CB THR A 65 9.507 5.060 -9.702 1.00 0.00 C ATOM 981 OG1 THR A 65 9.829 6.157 -10.564 1.00 0.00 O ATOM 982 CG2 THR A 65 9.397 3.781 -10.518 1.00 0.00 C ATOM 0 H THR A 65 9.127 6.690 -7.644 1.00 0.00 H new ATOM 0 HA THR A 65 7.389 5.474 -9.680 1.00 0.00 H new ATOM 0 HB THR A 65 10.300 4.934 -8.965 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.803 6.255 -10.619 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.338 3.599 -11.038 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.181 2.944 -9.855 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.593 3.883 -11.247 1.00 0.00 H new ATOM 990 N VAL A 66 7.157 3.184 -8.591 1.00 0.00 N ATOM 991 CA VAL A 66 6.783 1.997 -7.831 1.00 0.00 C ATOM 992 C VAL A 66 6.644 0.782 -8.742 1.00 0.00 C ATOM 993 O VAL A 66 5.665 0.656 -9.478 1.00 0.00 O ATOM 994 CB VAL A 66 5.460 2.210 -7.072 1.00 0.00 C ATOM 995 CG1 VAL A 66 4.996 0.911 -6.432 1.00 0.00 C ATOM 996 CG2 VAL A 66 5.616 3.304 -6.026 1.00 0.00 C ATOM 0 H VAL A 66 6.828 3.187 -9.556 1.00 0.00 H new ATOM 0 HA VAL A 66 7.581 1.818 -7.111 1.00 0.00 H new ATOM 0 HB VAL A 66 4.699 2.527 -7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.060 1.081 -5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.842 0.159 -7.206 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.753 0.560 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.672 3.441 -5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.390 3.019 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.898 4.237 -6.514 1.00 0.00 H new ATOM 1006 N GLN A 67 7.628 -0.109 -8.686 1.00 0.00 N ATOM 1007 CA GLN A 67 7.615 -1.314 -9.506 1.00 0.00 C ATOM 1008 C GLN A 67 8.086 -2.523 -8.705 1.00 0.00 C ATOM 1009 O GLN A 67 8.756 -2.379 -7.682 1.00 0.00 O ATOM 1010 CB GLN A 67 8.502 -1.127 -10.738 1.00 0.00 C ATOM 1011 CG GLN A 67 9.988 -1.086 -10.418 1.00 0.00 C ATOM 1012 CD GLN A 67 10.811 -0.491 -11.543 1.00 0.00 C ATOM 1013 OE1 GLN A 67 10.278 0.167 -12.438 1.00 0.00 O ATOM 1014 NE2 GLN A 67 12.119 -0.718 -11.505 1.00 0.00 N ATOM 0 H GLN A 67 8.444 -0.019 -8.081 1.00 0.00 H new ATOM 0 HA GLN A 67 6.589 -1.492 -9.829 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.312 -1.940 -11.439 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.221 -0.201 -11.240 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.144 -0.503 -9.511 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.339 -2.097 -10.211 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.519 -1.268 -10.745 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.723 -0.342 -12.236 1.00 0.00 H new ATOM 1023 N ILE A 68 7.731 -3.713 -9.177 1.00 0.00 N ATOM 1024 CA ILE A 68 8.118 -4.947 -8.504 1.00 0.00 C ATOM 1025 C ILE A 68 9.306 -5.604 -9.200 1.00 0.00 C ATOM 1026 O ILE A 68 9.440 -5.532 -10.422 1.00 0.00 O ATOM 1027 CB ILE A 68 6.950 -5.950 -8.451 1.00 0.00 C ATOM 1028 CG1 ILE A 68 5.874 -5.462 -7.479 1.00 0.00 C ATOM 1029 CG2 ILE A 68 7.453 -7.328 -8.046 1.00 0.00 C ATOM 1030 CD1 ILE A 68 4.654 -6.355 -7.431 1.00 0.00 C ATOM 0 H ILE A 68 7.176 -3.849 -10.022 1.00 0.00 H new ATOM 0 HA ILE A 68 8.400 -4.676 -7.487 1.00 0.00 H new ATOM 0 HB ILE A 68 6.508 -6.024 -9.445 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.303 -5.393 -6.479 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.567 -4.456 -7.765 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.616 -8.026 -8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.187 -7.676 -8.773 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.917 -7.271 -7.061 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.933 -5.948 -6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.200 -6.405 -8.421 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.948 -7.356 -7.116 1.00 0.00 H new ATOM 1042 N LEU A 69 10.165 -6.244 -8.414 1.00 0.00 N ATOM 1043 CA LEU A 69 11.341 -6.916 -8.955 1.00 0.00 C ATOM 1044 C LEU A 69 11.140 -8.427 -8.984 1.00 0.00 C ATOM 1045 O LEU A 69 10.677 -9.023 -8.011 1.00 0.00 O ATOM 1046 CB LEU A 69 12.577 -6.571 -8.122 1.00 0.00 C ATOM 1047 CG LEU A 69 12.989 -5.098 -8.109 1.00 0.00 C ATOM 1048 CD1 LEU A 69 14.054 -4.850 -7.053 1.00 0.00 C ATOM 1049 CD2 LEU A 69 13.487 -4.672 -9.482 1.00 0.00 C ATOM 0 H LEU A 69 10.069 -6.312 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 69 11.490 -6.568 -9.977 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.397 -6.886 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.416 -7.159 -8.493 1.00 0.00 H new ATOM 0 HG LEU A 69 12.114 -4.498 -7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.334 -3.797 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.662 -5.115 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.931 -5.460 -7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.776 -3.621 -9.454 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.349 -5.278 -9.761 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.693 -4.811 -10.216 1.00 0.00 H new ATOM 1061 N THR A 70 11.493 -9.044 -10.108 1.00 0.00 N ATOM 1062 CA THR A 70 11.352 -10.487 -10.264 1.00 0.00 C ATOM 1063 C THR A 70 12.673 -11.127 -10.674 1.00 0.00 C ATOM 1064 O THR A 70 13.183 -10.874 -11.765 1.00 0.00 O ATOM 1065 CB THR A 70 10.278 -10.836 -11.312 1.00 0.00 C ATOM 1066 OG1 THR A 70 10.663 -10.330 -12.595 1.00 0.00 O ATOM 1067 CG2 THR A 70 8.928 -10.257 -10.917 1.00 0.00 C ATOM 0 H THR A 70 11.878 -8.567 -10.923 1.00 0.00 H new ATOM 0 HA THR A 70 11.046 -10.882 -9.295 1.00 0.00 H new ATOM 0 HB THR A 70 10.189 -11.921 -11.362 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.638 -10.368 -12.682 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.186 -10.516 -11.672 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.624 -10.667 -9.954 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.005 -9.172 -10.842 1.00 0.00 H new ATOM 1214 N ALA A 82 6.880 -13.064 -7.531 1.00 0.00 N ATOM 1215 CA ALA A 82 7.600 -11.848 -7.175 1.00 0.00 C ATOM 1216 C ALA A 82 8.681 -12.133 -6.138 1.00 0.00 C ATOM 1217 O ALA A 82 8.389 -12.571 -5.025 1.00 0.00 O ATOM 1218 CB ALA A 82 6.632 -10.795 -6.654 1.00 0.00 C ATOM 0 HA ALA A 82 8.086 -11.467 -8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.183 -9.892 -6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.899 -10.561 -7.426 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.120 -11.177 -5.771 1.00 0.00 H new ATOM 1224 N THR A 83 9.933 -11.884 -6.511 1.00 0.00 N ATOM 1225 CA THR A 83 11.058 -12.116 -5.615 1.00 0.00 C ATOM 1226 C THR A 83 11.854 -10.836 -5.388 1.00 0.00 C ATOM 1227 O THR A 83 13.083 -10.858 -5.340 1.00 0.00 O ATOM 1228 CB THR A 83 12.001 -13.202 -6.167 1.00 0.00 C ATOM 1229 OG1 THR A 83 11.273 -14.414 -6.392 1.00 0.00 O ATOM 1230 CG2 THR A 83 13.147 -13.465 -5.202 1.00 0.00 C ATOM 0 H THR A 83 10.193 -11.521 -7.428 1.00 0.00 H new ATOM 0 HA THR A 83 10.641 -12.454 -4.666 1.00 0.00 H new ATOM 0 HB THR A 83 12.416 -12.847 -7.110 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.879 -15.099 -6.744 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.799 -14.235 -5.613 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.717 -12.547 -5.055 1.00 0.00 H new ATOM 0 HG23 THR A 83 12.747 -13.801 -4.245 1.00 0.00 H new ATOM 1238 N GLY A 84 11.144 -9.720 -5.249 1.00 0.00 N ATOM 1239 CA GLY A 84 11.802 -8.445 -5.028 1.00 0.00 C ATOM 1240 C GLY A 84 10.878 -7.267 -5.269 1.00 0.00 C ATOM 1241 O GLY A 84 9.750 -7.439 -5.728 1.00 0.00 O ATOM 0 H GLY A 84 10.126 -9.676 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.177 -8.405 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.666 -8.366 -5.688 1.00 0.00 H new ATOM 1245 N MET A 85 11.358 -6.068 -4.955 1.00 0.00 N ATOM 1246 CA MET A 85 10.567 -4.857 -5.140 1.00 0.00 C ATOM 1247 C MET A 85 11.469 -3.643 -5.335 1.00 0.00 C ATOM 1248 O MET A 85 12.420 -3.436 -4.580 1.00 0.00 O ATOM 1249 CB MET A 85 9.646 -4.636 -3.938 1.00 0.00 C ATOM 1250 CG MET A 85 8.587 -3.571 -4.172 1.00 0.00 C ATOM 1251 SD MET A 85 7.164 -3.756 -3.081 1.00 0.00 S ATOM 1252 CE MET A 85 5.852 -3.123 -4.124 1.00 0.00 C ATOM 0 H MET A 85 12.290 -5.909 -4.572 1.00 0.00 H new ATOM 0 HA MET A 85 9.959 -4.983 -6.036 1.00 0.00 H new ATOM 0 HB2 MET A 85 9.155 -5.577 -3.689 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.249 -4.353 -3.075 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.029 -2.586 -4.023 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.254 -3.617 -5.209 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.456 -2.204 -3.693 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.246 -2.917 -5.119 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.055 -3.863 -4.195 1.00 0.00 H new ATOM 1262 N PHE A 86 11.165 -2.843 -6.352 1.00 0.00 N ATOM 1263 CA PHE A 86 11.950 -1.649 -6.646 1.00 0.00 C ATOM 1264 C PHE A 86 11.090 -0.393 -6.540 1.00 0.00 C ATOM 1265 O PHE A 86 10.132 -0.217 -7.293 1.00 0.00 O ATOM 1266 CB PHE A 86 12.560 -1.746 -8.046 1.00 0.00 C ATOM 1267 CG PHE A 86 13.563 -0.668 -8.339 1.00 0.00 C ATOM 1268 CD1 PHE A 86 13.160 0.650 -8.484 1.00 0.00 C ATOM 1269 CD2 PHE A 86 14.908 -0.971 -8.471 1.00 0.00 C ATOM 1270 CE1 PHE A 86 14.080 1.646 -8.754 1.00 0.00 C ATOM 1271 CE2 PHE A 86 15.833 0.020 -8.740 1.00 0.00 C ATOM 1272 CZ PHE A 86 15.418 1.329 -8.883 1.00 0.00 C ATOM 0 H PHE A 86 10.381 -3.000 -6.986 1.00 0.00 H new ATOM 0 HA PHE A 86 12.752 -1.582 -5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 86 13.040 -2.718 -8.158 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.761 -1.698 -8.786 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.115 0.902 -8.385 1.00 0.00 H new ATOM 0 HD2 PHE A 86 15.238 -1.994 -8.362 1.00 0.00 H new ATOM 0 HE1 PHE A 86 13.753 2.669 -8.864 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.879 -0.229 -8.838 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.139 2.104 -9.096 1.00 0.00 H new ATOM 1282 N LEU A 87 11.439 0.477 -5.599 1.00 0.00 N ATOM 1283 CA LEU A 87 10.700 1.718 -5.392 1.00 0.00 C ATOM 1284 C LEU A 87 11.640 2.919 -5.393 1.00 0.00 C ATOM 1285 O LEU A 87 12.859 2.764 -5.324 1.00 0.00 O ATOM 1286 CB LEU A 87 9.928 1.661 -4.072 1.00 0.00 C ATOM 1287 CG LEU A 87 9.080 0.409 -3.844 1.00 0.00 C ATOM 1288 CD1 LEU A 87 8.791 0.223 -2.362 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.784 0.491 -4.636 1.00 0.00 C ATOM 0 H LEU A 87 12.229 0.346 -4.967 1.00 0.00 H new ATOM 0 HA LEU A 87 9.994 1.833 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.642 1.746 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.275 2.532 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 87 9.642 -0.456 -4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.187 -0.673 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.730 0.118 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.249 1.090 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.193 -0.408 -4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.217 1.365 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.012 0.575 -5.699 1.00 0.00 H new ATOM 1301 N GLN A 88 11.065 4.114 -5.469 1.00 0.00 N ATOM 1302 CA GLN A 88 11.852 5.341 -5.477 1.00 0.00 C ATOM 1303 C GLN A 88 11.134 6.454 -4.721 1.00 0.00 C ATOM 1304 O GLN A 88 9.906 6.533 -4.732 1.00 0.00 O ATOM 1305 CB GLN A 88 12.132 5.783 -6.914 1.00 0.00 C ATOM 1306 CG GLN A 88 13.036 4.830 -7.679 1.00 0.00 C ATOM 1307 CD GLN A 88 13.540 5.421 -8.981 1.00 0.00 C ATOM 1308 OE1 GLN A 88 12.810 5.484 -9.971 1.00 0.00 O ATOM 1309 NE2 GLN A 88 14.793 5.859 -8.986 1.00 0.00 N ATOM 0 H GLN A 88 10.057 4.259 -5.526 1.00 0.00 H new ATOM 0 HA GLN A 88 12.798 5.138 -4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.186 5.879 -7.447 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.591 6.772 -6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.887 4.562 -7.053 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.492 3.909 -7.889 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.362 5.787 -8.142 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.187 6.268 -9.833 1.00 0.00 H new ATOM 1318 N TYR A 89 11.908 7.311 -4.064 1.00 0.00 N ATOM 1319 CA TYR A 89 11.345 8.418 -3.300 1.00 0.00 C ATOM 1320 C TYR A 89 12.300 9.608 -3.282 1.00 0.00 C ATOM 1321 O TYR A 89 13.516 9.447 -3.391 1.00 0.00 O ATOM 1322 CB TYR A 89 11.039 7.974 -1.868 1.00 0.00 C ATOM 1323 CG TYR A 89 12.156 7.179 -1.229 1.00 0.00 C ATOM 1324 CD1 TYR A 89 13.259 7.816 -0.676 1.00 0.00 C ATOM 1325 CD2 TYR A 89 12.107 5.792 -1.180 1.00 0.00 C ATOM 1326 CE1 TYR A 89 14.282 7.094 -0.091 1.00 0.00 C ATOM 1327 CE2 TYR A 89 13.125 5.062 -0.597 1.00 0.00 C ATOM 1328 CZ TYR A 89 14.210 5.717 -0.054 1.00 0.00 C ATOM 1329 OH TYR A 89 15.226 4.994 0.527 1.00 0.00 O ATOM 0 H TYR A 89 12.927 7.260 -4.045 1.00 0.00 H new ATOM 0 HA TYR A 89 10.418 8.726 -3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.837 8.855 -1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.130 7.372 -1.869 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.318 8.894 -0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.259 5.275 -1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 89 15.133 7.605 0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 89 13.071 3.984 -0.567 1.00 0.00 H new ATOM 0 HH TYR A 89 15.638 5.524 1.241 1.00 0.00 H new ATOM 1339 N THR A 90 11.739 10.806 -3.142 1.00 0.00 N ATOM 1340 CA THR A 90 12.538 12.025 -3.110 1.00 0.00 C ATOM 1341 C THR A 90 12.680 12.551 -1.687 1.00 0.00 C ATOM 1342 O THR A 90 11.694 12.686 -0.962 1.00 0.00 O ATOM 1343 CB THR A 90 11.920 13.125 -3.993 1.00 0.00 C ATOM 1344 OG1 THR A 90 10.559 13.353 -3.611 1.00 0.00 O ATOM 1345 CG2 THR A 90 11.980 12.737 -5.463 1.00 0.00 C ATOM 0 H THR A 90 10.735 10.958 -3.049 1.00 0.00 H new ATOM 0 HA THR A 90 13.523 11.768 -3.500 1.00 0.00 H new ATOM 0 HB THR A 90 12.496 14.040 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.470 13.248 -2.641 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.538 13.529 -6.067 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.019 12.592 -5.759 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.426 11.811 -5.618 1.00 0.00 H new ATOM 1353 N VAL A 91 13.914 12.849 -1.292 1.00 0.00 N ATOM 1354 CA VAL A 91 14.185 13.364 0.045 1.00 0.00 C ATOM 1355 C VAL A 91 14.651 14.814 -0.008 1.00 0.00 C ATOM 1356 O VAL A 91 15.601 15.162 -0.709 1.00 0.00 O ATOM 1357 CB VAL A 91 15.253 12.519 0.766 1.00 0.00 C ATOM 1358 CG1 VAL A 91 15.337 12.905 2.235 1.00 0.00 C ATOM 1359 CG2 VAL A 91 14.952 11.036 0.612 1.00 0.00 C ATOM 0 H VAL A 91 14.742 12.743 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 91 13.250 13.307 0.602 1.00 0.00 H new ATOM 0 HB VAL A 91 16.221 12.719 0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.096 12.298 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.603 13.959 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.371 12.736 2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.716 10.454 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.976 10.816 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.948 10.773 -0.446 1.00 0.00 H new ATOM 1369 N PRO A 92 13.968 15.684 0.751 1.00 0.00 N ATOM 1370 CA PRO A 92 14.294 17.111 0.809 1.00 0.00 C ATOM 1371 C PRO A 92 15.615 17.376 1.523 1.00 0.00 C ATOM 1372 O PRO A 92 16.010 18.525 1.714 1.00 0.00 O ATOM 1373 CB PRO A 92 13.129 17.710 1.601 1.00 0.00 C ATOM 1374 CG PRO A 92 12.616 16.584 2.430 1.00 0.00 C ATOM 1375 CD PRO A 92 12.824 15.339 1.612 1.00 0.00 C ATOM 0 HA PRO A 92 14.417 17.541 -0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 92 13.460 18.541 2.224 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.356 18.097 0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.151 16.522 3.378 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.561 16.723 2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.041 14.476 2.242 1.00 0.00 H new ATOM 0 HD3 PRO A 92 11.940 15.091 1.025 1.00 0.00 H new ATOM 1383 N GLY A 93 16.295 16.303 1.916 1.00 0.00 N ATOM 1384 CA GLY A 93 17.565 16.441 2.605 1.00 0.00 C ATOM 1385 C GLY A 93 18.738 15.996 1.754 1.00 0.00 C ATOM 1386 O GLY A 93 19.869 15.915 2.234 1.00 0.00 O ATOM 0 H GLY A 93 15.989 15.341 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 93 17.706 17.482 2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.543 15.854 3.523 1.00 0.00 H new ATOM 1390 N THR A 94 18.469 15.703 0.485 1.00 0.00 N ATOM 1391 CA THR A 94 19.510 15.261 -0.434 1.00 0.00 C ATOM 1392 C THR A 94 19.352 15.919 -1.800 1.00 0.00 C ATOM 1393 O THR A 94 18.421 16.691 -2.023 1.00 0.00 O ATOM 1394 CB THR A 94 19.492 13.731 -0.609 1.00 0.00 C ATOM 1395 OG1 THR A 94 20.744 13.283 -1.140 1.00 0.00 O ATOM 1396 CG2 THR A 94 18.361 13.305 -1.534 1.00 0.00 C ATOM 0 H THR A 94 17.539 15.764 0.071 1.00 0.00 H new ATOM 0 HA THR A 94 20.464 15.558 0.002 1.00 0.00 H new ATOM 0 HB THR A 94 19.330 13.278 0.369 1.00 0.00 H new ATOM 0 HG1 THR A 94 20.724 12.309 -1.246 1.00 0.00 H new ATOM 0 HG21 THR A 94 18.369 12.220 -1.642 1.00 0.00 H new ATOM 0 HG22 THR A 94 17.407 13.621 -1.112 1.00 0.00 H new ATOM 0 HG23 THR A 94 18.496 13.768 -2.511 1.00 0.00 H new ATOM 1404 N GLU A 95 20.269 15.607 -2.712 1.00 0.00 N ATOM 1405 CA GLU A 95 20.230 16.169 -4.056 1.00 0.00 C ATOM 1406 C GLU A 95 19.918 15.090 -5.089 1.00 0.00 C ATOM 1407 O GLU A 95 20.746 14.224 -5.368 1.00 0.00 O ATOM 1408 CB GLU A 95 21.564 16.839 -4.391 1.00 0.00 C ATOM 1409 CG GLU A 95 22.759 16.191 -3.712 1.00 0.00 C ATOM 1410 CD GLU A 95 24.067 16.496 -4.416 1.00 0.00 C ATOM 1411 OE1 GLU A 95 24.223 16.081 -5.583 1.00 0.00 O ATOM 1412 OE2 GLU A 95 24.934 17.150 -3.800 1.00 0.00 O ATOM 0 H GLU A 95 21.047 14.969 -2.544 1.00 0.00 H new ATOM 0 HA GLU A 95 19.437 16.917 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 95 21.713 16.814 -5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 95 21.517 17.888 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 95 22.817 16.537 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 95 22.612 15.111 -3.679 1.00 0.00 H new ATOM 1419 N GLY A 96 18.714 15.148 -5.651 1.00 0.00 N ATOM 1420 CA GLY A 96 18.312 14.170 -6.646 1.00 0.00 C ATOM 1421 C GLY A 96 17.266 13.207 -6.121 1.00 0.00 C ATOM 1422 O GLY A 96 16.484 13.550 -5.235 1.00 0.00 O ATOM 0 H GLY A 96 18.010 15.854 -5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.919 14.687 -7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.187 13.608 -6.974 1.00 0.00 H new ATOM 1426 N VAL A 97 17.250 11.996 -6.671 1.00 0.00 N ATOM 1427 CA VAL A 97 16.291 10.980 -6.254 1.00 0.00 C ATOM 1428 C VAL A 97 17.000 9.716 -5.782 1.00 0.00 C ATOM 1429 O VAL A 97 18.082 9.380 -6.265 1.00 0.00 O ATOM 1430 CB VAL A 97 15.325 10.617 -7.397 1.00 0.00 C ATOM 1431 CG1 VAL A 97 14.328 9.563 -6.939 1.00 0.00 C ATOM 1432 CG2 VAL A 97 14.606 11.860 -7.901 1.00 0.00 C ATOM 0 H VAL A 97 17.890 11.695 -7.406 1.00 0.00 H new ATOM 0 HA VAL A 97 15.721 11.404 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 97 15.904 10.201 -8.221 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.654 9.319 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.864 8.665 -6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.751 9.949 -6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.927 11.585 -8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.038 12.307 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.337 12.579 -8.270 1.00 0.00 H new ATOM 1442 N THR A 98 16.384 9.016 -4.834 1.00 0.00 N ATOM 1443 CA THR A 98 16.956 7.789 -4.296 1.00 0.00 C ATOM 1444 C THR A 98 16.040 6.597 -4.551 1.00 0.00 C ATOM 1445 O THR A 98 14.818 6.718 -4.481 1.00 0.00 O ATOM 1446 CB THR A 98 17.217 7.907 -2.782 1.00 0.00 C ATOM 1447 OG1 THR A 98 18.108 8.997 -2.523 1.00 0.00 O ATOM 1448 CG2 THR A 98 17.810 6.618 -2.233 1.00 0.00 C ATOM 0 H THR A 98 15.488 9.279 -4.423 1.00 0.00 H new ATOM 0 HA THR A 98 17.904 7.631 -4.809 1.00 0.00 H new ATOM 0 HB THR A 98 16.265 8.090 -2.284 1.00 0.00 H new ATOM 0 HG1 THR A 98 18.268 9.067 -1.559 1.00 0.00 H new ATOM 0 HG21 THR A 98 17.986 6.725 -1.163 1.00 0.00 H new ATOM 0 HG22 THR A 98 17.116 5.796 -2.406 1.00 0.00 H new ATOM 0 HG23 THR A 98 18.754 6.408 -2.736 1.00 0.00 H new ATOM 1456 N GLN A 99 16.640 5.448 -4.846 1.00 0.00 N ATOM 1457 CA GLN A 99 15.876 4.235 -5.111 1.00 0.00 C ATOM 1458 C GLN A 99 16.017 3.241 -3.962 1.00 0.00 C ATOM 1459 O GLN A 99 16.856 3.415 -3.077 1.00 0.00 O ATOM 1460 CB GLN A 99 16.340 3.591 -6.418 1.00 0.00 C ATOM 1461 CG GLN A 99 17.636 2.807 -6.285 1.00 0.00 C ATOM 1462 CD GLN A 99 18.769 3.645 -5.726 1.00 0.00 C ATOM 1463 OE1 GLN A 99 19.349 3.314 -4.692 1.00 0.00 O ATOM 1464 NE2 GLN A 99 19.091 4.737 -6.409 1.00 0.00 N ATOM 0 H GLN A 99 17.652 5.332 -4.907 1.00 0.00 H new ATOM 0 HA GLN A 99 14.825 4.510 -5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.558 2.925 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.472 4.369 -7.170 1.00 0.00 H new ATOM 0 HG2 GLN A 99 17.471 1.947 -5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.924 2.419 -7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 99 18.583 4.973 -7.262 1.00 0.00 H new ATOM 0 HE22 GLN A 99 19.846 5.339 -6.081 1.00 0.00 H new ATOM 1473 N LEU A 100 15.193 2.200 -3.983 1.00 0.00 N ATOM 1474 CA LEU A 100 15.225 1.178 -2.943 1.00 0.00 C ATOM 1475 C LEU A 100 15.049 -0.214 -3.542 1.00 0.00 C ATOM 1476 O LEU A 100 14.128 -0.454 -4.324 1.00 0.00 O ATOM 1477 CB LEU A 100 14.131 1.441 -1.907 1.00 0.00 C ATOM 1478 CG LEU A 100 14.398 0.907 -0.499 1.00 0.00 C ATOM 1479 CD1 LEU A 100 15.261 1.881 0.287 1.00 0.00 C ATOM 1480 CD2 LEU A 100 13.087 0.645 0.229 1.00 0.00 C ATOM 0 H LEU A 100 14.494 2.041 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 100 16.198 1.223 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 100 13.972 2.517 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 100 13.202 1.002 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 100 14.938 -0.036 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.440 1.484 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 100 16.213 2.018 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.749 2.840 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 100 13.296 0.265 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 100 12.521 1.573 0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 100 12.504 -0.092 -0.324 1.00 0.00 H new ATOM 1492 N LYS A 101 15.936 -1.130 -3.169 1.00 0.00 N ATOM 1493 CA LYS A 101 15.878 -2.500 -3.665 1.00 0.00 C ATOM 1494 C LYS A 101 15.521 -3.470 -2.544 1.00 0.00 C ATOM 1495 O LYS A 101 16.247 -3.586 -1.555 1.00 0.00 O ATOM 1496 CB LYS A 101 17.218 -2.895 -4.290 1.00 0.00 C ATOM 1497 CG LYS A 101 17.100 -3.978 -5.348 1.00 0.00 C ATOM 1498 CD LYS A 101 16.864 -3.386 -6.727 1.00 0.00 C ATOM 1499 CE LYS A 101 18.118 -2.720 -7.270 1.00 0.00 C ATOM 1500 NZ LYS A 101 18.058 -2.544 -8.748 1.00 0.00 N ATOM 0 H LYS A 101 16.705 -0.948 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 101 15.100 -2.552 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 101 17.676 -2.012 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 101 17.889 -3.239 -3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 101 18.010 -4.578 -5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.279 -4.649 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 101 16.543 -4.171 -7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.056 -2.656 -6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.248 -1.748 -6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.990 -3.321 -7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.874 -1.983 -9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.079 -3.476 -9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 17.179 -2.051 -9.003 1.00 0.00 H new ATOM 1514 N LEU A 102 14.402 -4.167 -2.704 1.00 0.00 N ATOM 1515 CA LEU A 102 13.950 -5.130 -1.705 1.00 0.00 C ATOM 1516 C LEU A 102 13.988 -6.549 -2.262 1.00 0.00 C ATOM 1517 O LEU A 102 13.576 -6.795 -3.396 1.00 0.00 O ATOM 1518 CB LEU A 102 12.532 -4.788 -1.244 1.00 0.00 C ATOM 1519 CG LEU A 102 12.308 -3.352 -0.770 1.00 0.00 C ATOM 1520 CD1 LEU A 102 10.825 -3.077 -0.581 1.00 0.00 C ATOM 1521 CD2 LEU A 102 13.070 -3.091 0.522 1.00 0.00 C ATOM 0 H LEU A 102 13.790 -4.084 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 102 14.626 -5.076 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.846 -4.989 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.263 -5.463 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 102 12.687 -2.675 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.686 -2.050 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.305 -3.222 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.420 -3.762 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.899 -2.064 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.722 -3.777 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 102 14.136 -3.245 0.353 1.00 0.00 H new ATOM 1533 N THR A 103 14.483 -7.483 -1.455 1.00 0.00 N ATOM 1534 CA THR A 103 14.573 -8.878 -1.865 1.00 0.00 C ATOM 1535 C THR A 103 14.300 -9.815 -0.694 1.00 0.00 C ATOM 1536 O THR A 103 14.676 -9.529 0.443 1.00 0.00 O ATOM 1537 CB THR A 103 15.959 -9.202 -2.455 1.00 0.00 C ATOM 1538 OG1 THR A 103 16.273 -8.278 -3.502 1.00 0.00 O ATOM 1539 CG2 THR A 103 15.998 -10.623 -2.996 1.00 0.00 C ATOM 0 H THR A 103 14.828 -7.297 -0.513 1.00 0.00 H new ATOM 0 HA THR A 103 13.815 -9.031 -2.633 1.00 0.00 H new ATOM 0 HB THR A 103 16.699 -9.113 -1.659 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.156 -8.489 -3.871 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.986 -10.829 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 103 15.787 -11.325 -2.189 1.00 0.00 H new ATOM 0 HG23 THR A 103 15.248 -10.735 -3.779 1.00 0.00 H new ATOM 1547 N VAL A 104 13.645 -10.936 -0.978 1.00 0.00 N ATOM 1548 CA VAL A 104 13.323 -11.916 0.053 1.00 0.00 C ATOM 1549 C VAL A 104 14.585 -12.580 0.591 1.00 0.00 C ATOM 1550 O VAL A 104 15.383 -13.131 -0.168 1.00 0.00 O ATOM 1551 CB VAL A 104 12.373 -13.003 -0.484 1.00 0.00 C ATOM 1552 CG1 VAL A 104 12.137 -14.073 0.571 1.00 0.00 C ATOM 1553 CG2 VAL A 104 11.057 -12.385 -0.932 1.00 0.00 C ATOM 0 H VAL A 104 13.327 -11.188 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 104 12.827 -11.377 0.860 1.00 0.00 H new ATOM 0 HB VAL A 104 12.839 -13.475 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 104 11.464 -14.833 0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 104 13.087 -14.535 0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 104 11.691 -13.619 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.397 -13.167 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.583 -11.886 -0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.247 -11.658 -1.722 1.00 0.00 H new ATOM 1563 N VAL A 105 14.760 -12.526 1.908 1.00 0.00 N ATOM 1564 CA VAL A 105 15.924 -13.125 2.550 1.00 0.00 C ATOM 1565 C VAL A 105 16.162 -14.543 2.045 1.00 0.00 C ATOM 1566 O VAL A 105 15.228 -15.337 1.934 1.00 0.00 O ATOM 1567 CB VAL A 105 15.766 -13.156 4.082 1.00 0.00 C ATOM 1568 CG1 VAL A 105 17.001 -13.760 4.734 1.00 0.00 C ATOM 1569 CG2 VAL A 105 15.499 -11.758 4.618 1.00 0.00 C ATOM 0 H VAL A 105 14.110 -12.073 2.551 1.00 0.00 H new ATOM 0 HA VAL A 105 16.782 -12.503 2.293 1.00 0.00 H new ATOM 0 HB VAL A 105 14.910 -13.784 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 105 16.871 -13.774 5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 105 17.142 -14.779 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 105 17.876 -13.161 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 105 15.390 -11.799 5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 105 16.333 -11.105 4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 105 14.583 -11.368 4.176 1.00 0.00 H new ATOM 1659 N ARG A 112 8.249 -17.469 3.122 1.00 0.00 N ATOM 1660 CA ARG A 112 8.183 -17.228 1.686 1.00 0.00 C ATOM 1661 C ARG A 112 6.793 -16.749 1.278 1.00 0.00 C ATOM 1662 O ARG A 112 6.648 -15.705 0.641 1.00 0.00 O ATOM 1663 CB ARG A 112 8.542 -18.501 0.917 1.00 0.00 C ATOM 1664 CG ARG A 112 8.750 -18.275 -0.572 1.00 0.00 C ATOM 1665 CD ARG A 112 10.028 -17.497 -0.844 1.00 0.00 C ATOM 1666 NE ARG A 112 11.193 -18.372 -0.934 1.00 0.00 N ATOM 1667 CZ ARG A 112 11.941 -18.712 0.110 1.00 0.00 C ATOM 1668 NH1 ARG A 112 11.645 -18.252 1.318 1.00 0.00 N ATOM 1669 NH2 ARG A 112 12.985 -19.513 -0.053 1.00 0.00 N ATOM 0 HA ARG A 112 8.903 -16.448 1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 112 9.451 -18.928 1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 112 7.749 -19.236 1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 112 8.792 -19.236 -1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 112 7.898 -17.732 -0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 112 9.921 -16.939 -1.774 1.00 0.00 H new ATOM 0 HD3 ARG A 112 10.184 -16.767 -0.050 1.00 0.00 H new ATOM 0 HE ARG A 112 11.447 -18.743 -1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 112 10.842 -17.636 1.447 1.00 0.00 H new ATOM 0 HH12 ARG A 112 12.220 -18.514 2.119 1.00 0.00 H new ATOM 0 HH21 ARG A 112 13.215 -19.869 -0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 112 13.558 -19.773 0.749 1.00 0.00 H new ATOM 1683 N ARG A 113 5.775 -17.518 1.648 1.00 0.00 N ATOM 1684 CA ARG A 113 4.397 -17.174 1.319 1.00 0.00 C ATOM 1685 C ARG A 113 4.078 -15.744 1.747 1.00 0.00 C ATOM 1686 O ARG A 113 3.520 -14.966 0.974 1.00 0.00 O ATOM 1687 CB ARG A 113 3.430 -18.148 1.994 1.00 0.00 C ATOM 1688 CG ARG A 113 3.544 -18.167 3.510 1.00 0.00 C ATOM 1689 CD ARG A 113 2.616 -19.203 4.125 1.00 0.00 C ATOM 1690 NE ARG A 113 3.131 -19.716 5.392 1.00 0.00 N ATOM 1691 CZ ARG A 113 4.264 -20.402 5.501 1.00 0.00 C ATOM 1692 NH1 ARG A 113 4.995 -20.656 4.425 1.00 0.00 N ATOM 1693 NH2 ARG A 113 4.667 -20.835 6.688 1.00 0.00 N ATOM 0 H ARG A 113 5.878 -18.384 2.176 1.00 0.00 H new ATOM 0 HA ARG A 113 4.278 -17.247 0.238 1.00 0.00 H new ATOM 0 HB2 ARG A 113 2.409 -17.883 1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 113 3.613 -19.152 1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 113 4.573 -18.383 3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 113 3.304 -17.181 3.907 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.634 -18.759 4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 113 2.482 -20.029 3.427 1.00 0.00 H new ATOM 0 HE ARG A 113 2.592 -19.538 6.239 1.00 0.00 H new ATOM 0 HH11 ARG A 113 4.688 -20.325 3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 113 5.864 -21.183 4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 113 4.107 -20.642 7.518 1.00 0.00 H new ATOM 0 HH22 ARG A 113 5.537 -21.361 6.770 1.00 0.00 H new ATOM 1707 N GLN A 114 4.435 -15.408 2.982 1.00 0.00 N ATOM 1708 CA GLN A 114 4.184 -14.073 3.513 1.00 0.00 C ATOM 1709 C GLN A 114 4.874 -13.011 2.662 1.00 0.00 C ATOM 1710 O GLN A 114 4.216 -12.178 2.040 1.00 0.00 O ATOM 1711 CB GLN A 114 4.669 -13.977 4.961 1.00 0.00 C ATOM 1712 CG GLN A 114 3.997 -12.869 5.755 1.00 0.00 C ATOM 1713 CD GLN A 114 2.536 -13.155 6.037 1.00 0.00 C ATOM 1714 OE1 GLN A 114 2.036 -14.241 5.741 1.00 0.00 O ATOM 1715 NE2 GLN A 114 1.841 -12.181 6.612 1.00 0.00 N ATOM 0 H GLN A 114 4.899 -16.041 3.634 1.00 0.00 H new ATOM 0 HA GLN A 114 3.109 -13.894 3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.490 -14.930 5.459 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.747 -13.813 4.964 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.525 -12.732 6.699 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.080 -11.932 5.205 1.00 0.00 H new ATOM 0 HE21 GLN A 114 2.295 -11.297 6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 114 0.853 -12.317 6.825 1.00 0.00 H new ATOM 1724 N ALA A 115 6.202 -13.048 2.641 1.00 0.00 N ATOM 1725 CA ALA A 115 6.980 -12.090 1.866 1.00 0.00 C ATOM 1726 C ALA A 115 6.395 -11.910 0.469 1.00 0.00 C ATOM 1727 O ALA A 115 5.863 -10.849 0.140 1.00 0.00 O ATOM 1728 CB ALA A 115 8.432 -12.538 1.778 1.00 0.00 C ATOM 0 H ALA A 115 6.761 -13.731 3.152 1.00 0.00 H new ATOM 0 HA ALA A 115 6.938 -11.128 2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.002 -11.813 1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 115 8.852 -12.609 2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.483 -13.513 1.293 1.00 0.00 H new ATOM 1734 N VAL A 116 6.497 -12.952 -0.350 1.00 0.00 N ATOM 1735 CA VAL A 116 5.977 -12.908 -1.711 1.00 0.00 C ATOM 1736 C VAL A 116 4.635 -12.188 -1.764 1.00 0.00 C ATOM 1737 O VAL A 116 4.379 -11.395 -2.670 1.00 0.00 O ATOM 1738 CB VAL A 116 5.811 -14.324 -2.294 1.00 0.00 C ATOM 1739 CG1 VAL A 116 5.203 -14.260 -3.687 1.00 0.00 C ATOM 1740 CG2 VAL A 116 7.148 -15.049 -2.320 1.00 0.00 C ATOM 0 H VAL A 116 6.935 -13.837 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 116 6.704 -12.359 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 116 5.132 -14.885 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.093 -15.270 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.225 -13.782 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.855 -13.682 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.012 -16.048 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.852 -14.492 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.539 -15.127 -1.306 1.00 0.00 H new ATOM 1750 N ALA A 117 3.780 -12.468 -0.786 1.00 0.00 N ATOM 1751 CA ALA A 117 2.464 -11.845 -0.719 1.00 0.00 C ATOM 1752 C ALA A 117 2.578 -10.347 -0.463 1.00 0.00 C ATOM 1753 O ALA A 117 1.972 -9.539 -1.168 1.00 0.00 O ATOM 1754 CB ALA A 117 1.622 -12.505 0.364 1.00 0.00 C ATOM 0 H ALA A 117 3.975 -13.123 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 117 1.973 -11.986 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.642 -12.030 0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.503 -13.564 0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.118 -12.394 1.328 1.00 0.00 H new ATOM 1760 N TRP A 118 3.358 -9.982 0.548 1.00 0.00 N ATOM 1761 CA TRP A 118 3.551 -8.579 0.896 1.00 0.00 C ATOM 1762 C TRP A 118 4.028 -7.778 -0.311 1.00 0.00 C ATOM 1763 O TRP A 118 3.699 -6.600 -0.456 1.00 0.00 O ATOM 1764 CB TRP A 118 4.559 -8.450 2.040 1.00 0.00 C ATOM 1765 CG TRP A 118 4.648 -7.062 2.599 1.00 0.00 C ATOM 1766 CD1 TRP A 118 4.183 -6.635 3.810 1.00 0.00 C ATOM 1767 CD2 TRP A 118 5.239 -5.921 1.968 1.00 0.00 C ATOM 1768 NE1 TRP A 118 4.448 -5.296 3.969 1.00 0.00 N ATOM 1769 CE2 TRP A 118 5.095 -4.835 2.854 1.00 0.00 C ATOM 1770 CE3 TRP A 118 5.876 -5.710 0.742 1.00 0.00 C ATOM 1771 CZ2 TRP A 118 5.565 -3.560 2.550 1.00 0.00 C ATOM 1772 CZ3 TRP A 118 6.341 -4.444 0.442 1.00 0.00 C ATOM 1773 CH2 TRP A 118 6.185 -3.382 1.343 1.00 0.00 C ATOM 0 H TRP A 118 3.867 -10.638 1.141 1.00 0.00 H new ATOM 0 HA TRP A 118 2.591 -8.176 1.219 1.00 0.00 H new ATOM 0 HB2 TRP A 118 4.282 -9.139 2.838 1.00 0.00 H new ATOM 0 HB3 TRP A 118 5.543 -8.754 1.684 1.00 0.00 H new ATOM 0 HD1 TRP A 118 3.681 -7.258 4.536 1.00 0.00 H new ATOM 0 HE1 TRP A 118 4.202 -4.736 4.786 1.00 0.00 H new ATOM 0 HE3 TRP A 118 6.003 -6.522 0.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 5.444 -2.740 3.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 6.833 -4.270 -0.503 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.561 -2.404 1.080 1.00 0.00 H new ATOM 1784 N LEU A 119 4.804 -8.424 -1.174 1.00 0.00 N ATOM 1785 CA LEU A 119 5.326 -7.772 -2.370 1.00 0.00 C ATOM 1786 C LEU A 119 4.197 -7.417 -3.333 1.00 0.00 C ATOM 1787 O LEU A 119 3.985 -6.247 -3.653 1.00 0.00 O ATOM 1788 CB LEU A 119 6.341 -8.679 -3.067 1.00 0.00 C ATOM 1789 CG LEU A 119 7.558 -9.087 -2.237 1.00 0.00 C ATOM 1790 CD1 LEU A 119 8.216 -10.325 -2.827 1.00 0.00 C ATOM 1791 CD2 LEU A 119 8.555 -7.940 -2.152 1.00 0.00 C ATOM 0 H LEU A 119 5.086 -9.399 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 119 5.822 -6.850 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 119 5.827 -9.584 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.693 -8.173 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 119 7.222 -9.325 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.080 -10.600 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.501 -11.148 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.538 -10.115 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.415 -8.249 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.885 -7.670 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 119 8.080 -7.079 -1.683 1.00 0.00 H new ATOM 1803 N VAL A 120 3.475 -8.435 -3.791 1.00 0.00 N ATOM 1804 CA VAL A 120 2.366 -8.230 -4.715 1.00 0.00 C ATOM 1805 C VAL A 120 1.239 -7.442 -4.055 1.00 0.00 C ATOM 1806 O VAL A 120 0.465 -6.764 -4.730 1.00 0.00 O ATOM 1807 CB VAL A 120 1.807 -9.571 -5.227 1.00 0.00 C ATOM 1808 CG1 VAL A 120 1.344 -10.436 -4.064 1.00 0.00 C ATOM 1809 CG2 VAL A 120 0.672 -9.334 -6.211 1.00 0.00 C ATOM 0 H VAL A 120 3.638 -9.409 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 120 2.758 -7.662 -5.559 1.00 0.00 H new ATOM 0 HB VAL A 120 2.604 -10.102 -5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.952 -11.379 -4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 120 2.186 -10.634 -3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.562 -9.915 -3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 120 0.289 -10.292 -6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -0.128 -8.782 -5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.040 -8.757 -7.059 1.00 0.00 H new ATOM 1819 N ALA A 121 1.154 -7.536 -2.732 1.00 0.00 N ATOM 1820 CA ALA A 121 0.124 -6.830 -1.981 1.00 0.00 C ATOM 1821 C ALA A 121 0.375 -5.326 -1.987 1.00 0.00 C ATOM 1822 O ALA A 121 -0.548 -4.534 -2.177 1.00 0.00 O ATOM 1823 CB ALA A 121 0.061 -7.351 -0.553 1.00 0.00 C ATOM 0 H ALA A 121 1.786 -8.094 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.835 -7.014 -2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.713 -6.815 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -0.174 -8.415 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.024 -7.197 -0.067 1.00 0.00 H new ATOM 1829 N MET A 122 1.628 -4.938 -1.776 1.00 0.00 N ATOM 1830 CA MET A 122 1.999 -3.528 -1.758 1.00 0.00 C ATOM 1831 C MET A 122 1.643 -2.855 -3.079 1.00 0.00 C ATOM 1832 O MET A 122 1.047 -1.777 -3.098 1.00 0.00 O ATOM 1833 CB MET A 122 3.497 -3.376 -1.482 1.00 0.00 C ATOM 1834 CG MET A 122 3.954 -1.929 -1.389 1.00 0.00 C ATOM 1835 SD MET A 122 3.456 -1.142 0.155 1.00 0.00 S ATOM 1836 CE MET A 122 3.224 0.549 -0.387 1.00 0.00 C ATOM 0 H MET A 122 2.404 -5.580 -1.615 1.00 0.00 H new ATOM 0 HA MET A 122 1.438 -3.041 -0.960 1.00 0.00 H new ATOM 0 HB2 MET A 122 3.740 -3.886 -0.550 1.00 0.00 H new ATOM 0 HB3 MET A 122 4.056 -3.875 -2.273 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.039 -1.888 -1.480 1.00 0.00 H new ATOM 0 HG3 MET A 122 3.543 -1.367 -2.228 1.00 0.00 H new ATOM 0 HE1 MET A 122 3.213 1.210 0.479 1.00 0.00 H new ATOM 0 HE2 MET A 122 4.041 0.834 -1.050 1.00 0.00 H new ATOM 0 HE3 MET A 122 2.277 0.634 -0.920 1.00 0.00 H new ATOM 1846 N HIS A 123 2.012 -3.496 -4.184 1.00 0.00 N ATOM 1847 CA HIS A 123 1.731 -2.959 -5.510 1.00 0.00 C ATOM 1848 C HIS A 123 0.232 -2.752 -5.706 1.00 0.00 C ATOM 1849 O HIS A 123 -0.225 -1.635 -5.948 1.00 0.00 O ATOM 1850 CB HIS A 123 2.273 -3.897 -6.589 1.00 0.00 C ATOM 1851 CG HIS A 123 2.375 -3.259 -7.941 1.00 0.00 C ATOM 1852 ND1 HIS A 123 1.520 -3.558 -8.980 1.00 0.00 N ATOM 1853 CD2 HIS A 123 3.238 -2.333 -8.420 1.00 0.00 C ATOM 1854 CE1 HIS A 123 1.853 -2.844 -10.040 1.00 0.00 C ATOM 1855 NE2 HIS A 123 2.893 -2.092 -9.727 1.00 0.00 N ATOM 0 H HIS A 123 2.506 -4.388 -4.187 1.00 0.00 H new ATOM 0 HA HIS A 123 2.228 -1.993 -5.596 1.00 0.00 H new ATOM 0 HB2 HIS A 123 3.259 -4.252 -6.289 1.00 0.00 H new ATOM 0 HB3 HIS A 123 1.626 -4.772 -6.657 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.048 -1.870 -7.875 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.359 -2.870 -11.000 1.00 0.00 H new ATOM 0 HE2 HIS A 123 3.363 -1.439 -10.354 1.00 0.00 H new ATOM 1863 N LYS A 124 -0.529 -3.836 -5.600 1.00 0.00 N ATOM 1864 CA LYS A 124 -1.976 -3.775 -5.765 1.00 0.00 C ATOM 1865 C LYS A 124 -2.543 -2.510 -5.128 1.00 0.00 C ATOM 1866 O LYS A 124 -3.105 -1.657 -5.814 1.00 0.00 O ATOM 1867 CB LYS A 124 -2.633 -5.010 -5.144 1.00 0.00 C ATOM 1868 CG LYS A 124 -2.615 -6.229 -6.050 1.00 0.00 C ATOM 1869 CD LYS A 124 -3.764 -7.173 -5.738 1.00 0.00 C ATOM 1870 CE LYS A 124 -3.498 -7.977 -4.475 1.00 0.00 C ATOM 1871 NZ LYS A 124 -2.656 -9.175 -4.748 1.00 0.00 N ATOM 0 H LYS A 124 -0.167 -4.768 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 124 -2.195 -3.753 -6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -2.123 -5.253 -4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.666 -4.772 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -2.677 -5.911 -7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -1.668 -6.756 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -4.684 -6.601 -5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -3.917 -7.852 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -3.002 -7.344 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -4.446 -8.291 -4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -3.127 -10.023 -4.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -2.521 -9.278 -5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -1.731 -9.061 -4.287 1.00 0.00 H new ATOM 1885 N ALA A 125 -2.390 -2.396 -3.812 1.00 0.00 N ATOM 1886 CA ALA A 125 -2.884 -1.233 -3.084 1.00 0.00 C ATOM 1887 C ALA A 125 -2.238 0.050 -3.596 1.00 0.00 C ATOM 1888 O ALA A 125 -2.927 1.020 -3.910 1.00 0.00 O ATOM 1889 CB ALA A 125 -2.628 -1.397 -1.593 1.00 0.00 C ATOM 0 H ALA A 125 -1.928 -3.094 -3.229 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.959 -1.159 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.002 -0.522 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -3.142 -2.288 -1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -1.557 -1.499 -1.417 1.00 0.00 H new ATOM 1895 N ALA A 126 -0.911 0.048 -3.676 1.00 0.00 N ATOM 1896 CA ALA A 126 -0.173 1.212 -4.151 1.00 0.00 C ATOM 1897 C ALA A 126 -0.922 1.914 -5.279 1.00 0.00 C ATOM 1898 O ALA A 126 -1.054 3.138 -5.283 1.00 0.00 O ATOM 1899 CB ALA A 126 1.218 0.803 -4.613 1.00 0.00 C ATOM 0 H ALA A 126 -0.326 -0.746 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.077 1.913 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.758 1.682 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.760 0.353 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.134 0.080 -5.424 1.00 0.00 H new ATOM 1905 N LYS A 127 -1.409 1.132 -6.236 1.00 0.00 N ATOM 1906 CA LYS A 127 -2.145 1.678 -7.370 1.00 0.00 C ATOM 1907 C LYS A 127 -3.295 2.562 -6.898 1.00 0.00 C ATOM 1908 O LYS A 127 -3.506 3.656 -7.423 1.00 0.00 O ATOM 1909 CB LYS A 127 -2.685 0.545 -8.247 1.00 0.00 C ATOM 1910 CG LYS A 127 -1.619 -0.136 -9.086 1.00 0.00 C ATOM 1911 CD LYS A 127 -1.385 0.599 -10.395 1.00 0.00 C ATOM 1912 CE LYS A 127 -2.353 0.138 -11.474 1.00 0.00 C ATOM 1913 NZ LYS A 127 -3.727 0.666 -11.247 1.00 0.00 N ATOM 0 H LYS A 127 -1.307 0.117 -6.249 1.00 0.00 H new ATOM 0 HA LYS A 127 -1.458 2.288 -7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.164 -0.199 -7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -3.455 0.944 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.687 -0.184 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.919 -1.163 -9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -1.499 1.671 -10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.361 0.433 -10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.994 0.467 -12.449 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -2.381 -0.951 -11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -4.242 0.692 -12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -4.230 0.048 -10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -3.669 1.627 -10.853 1.00 0.00 H new ATOM 1927 N LEU A 128 -4.034 2.083 -5.904 1.00 0.00 N ATOM 1928 CA LEU A 128 -5.162 2.831 -5.359 1.00 0.00 C ATOM 1929 C LEU A 128 -4.726 4.221 -4.908 1.00 0.00 C ATOM 1930 O LEU A 128 -5.351 5.224 -5.258 1.00 0.00 O ATOM 1931 CB LEU A 128 -5.783 2.073 -4.185 1.00 0.00 C ATOM 1932 CG LEU A 128 -6.615 0.842 -4.546 1.00 0.00 C ATOM 1933 CD1 LEU A 128 -6.767 -0.072 -3.340 1.00 0.00 C ATOM 1934 CD2 LEU A 128 -7.978 1.257 -5.079 1.00 0.00 C ATOM 0 H LEU A 128 -3.873 1.180 -5.459 1.00 0.00 H new ATOM 0 HA LEU A 128 -5.907 2.942 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -4.982 1.761 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -6.415 2.763 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 128 -6.094 0.292 -5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -7.362 -0.943 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -5.783 -0.397 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -7.266 0.468 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -8.556 0.368 -5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -8.507 1.831 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -7.849 1.870 -5.971 1.00 0.00 H new ATOM 1946 N LEU A 129 -3.649 4.275 -4.132 1.00 0.00 N ATOM 1947 CA LEU A 129 -3.127 5.543 -3.635 1.00 0.00 C ATOM 1948 C LEU A 129 -3.199 6.622 -4.711 1.00 0.00 C ATOM 1949 O LEU A 129 -3.874 7.638 -4.542 1.00 0.00 O ATOM 1950 CB LEU A 129 -1.682 5.373 -3.164 1.00 0.00 C ATOM 1951 CG LEU A 129 -1.484 4.557 -1.886 1.00 0.00 C ATOM 1952 CD1 LEU A 129 -0.140 3.846 -1.909 1.00 0.00 C ATOM 1953 CD2 LEU A 129 -1.595 5.451 -0.659 1.00 0.00 C ATOM 0 H LEU A 129 -3.120 3.455 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 129 -3.743 5.855 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.113 4.900 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -1.253 6.363 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.270 3.803 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.017 3.271 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.098 3.175 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.660 4.582 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.451 4.853 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.831 6.228 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -2.582 5.913 -0.634 1.00 0.00 H new ATOM 1965 N TYR A 130 -2.502 6.393 -5.818 1.00 0.00 N ATOM 1966 CA TYR A 130 -2.486 7.345 -6.922 1.00 0.00 C ATOM 1967 C TYR A 130 -3.503 6.955 -7.991 1.00 0.00 C ATOM 1968 O TYR A 130 -4.452 7.692 -8.258 1.00 0.00 O ATOM 1969 CB TYR A 130 -1.088 7.423 -7.537 1.00 0.00 C ATOM 1970 CG TYR A 130 -0.375 6.091 -7.592 1.00 0.00 C ATOM 1971 CD1 TYR A 130 0.195 5.538 -6.452 1.00 0.00 C ATOM 1972 CD2 TYR A 130 -0.274 5.384 -8.784 1.00 0.00 C ATOM 1973 CE1 TYR A 130 0.848 4.321 -6.499 1.00 0.00 C ATOM 1974 CE2 TYR A 130 0.375 4.166 -8.840 1.00 0.00 C ATOM 1975 CZ TYR A 130 0.935 3.639 -7.694 1.00 0.00 C ATOM 1976 OH TYR A 130 1.583 2.426 -7.744 1.00 0.00 O ATOM 0 H TYR A 130 -1.940 5.556 -5.975 1.00 0.00 H new ATOM 0 HA TYR A 130 -2.756 8.324 -6.528 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -1.167 7.825 -8.547 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.485 8.125 -6.960 1.00 0.00 H new ATOM 0 HD1 TYR A 130 0.127 6.068 -5.514 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -0.711 5.794 -9.683 1.00 0.00 H new ATOM 0 HE1 TYR A 130 1.288 3.906 -5.604 1.00 0.00 H new ATOM 0 HE2 TYR A 130 0.444 3.629 -9.775 1.00 0.00 H new ATOM 0 HH TYR A 130 1.554 2.077 -8.659 1.00 0.00 H new