USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 668 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 59 LYS NZ :NH3+ -123:sc= 0.1 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.177 USER MOD Set 2.1: A 43 TYR OH : rot 80:sc=-0.00834 USER MOD Set 2.2: A 64 MET CE :methyl -160:sc= -2.15 (180deg=-1.35) USER MOD Set 2.3: A 80 GLN : amide:sc= -3.85! C(o=-6!,f=-8.8!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.885 K(o=0.88,f=0) USER MOD Single : A 78 MET CE :methyl 175:sc= -0.0659 (180deg=-0.122) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.434 K(o=0.43,f=-3.3!) USER MOD Single : A 86 HIS : no HD1:sc= 0.0314 K(o=0.031,f=-0.85) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 1.09 (180deg=1.06) USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= 1.09 (180deg=0.965) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 -0.416 7.415 -18.124 1.00 0.00 N ATOM 175 CA LEU A 14 -0.873 7.541 -19.511 1.00 0.00 C ATOM 176 C LEU A 14 -2.367 7.918 -19.588 1.00 0.00 C ATOM 177 O LEU A 14 -2.887 8.135 -20.684 1.00 0.00 O ATOM 178 CB LEU A 14 -0.579 6.215 -20.240 1.00 0.00 C ATOM 179 CG LEU A 14 0.890 5.734 -20.110 1.00 0.00 C ATOM 180 CD1 LEU A 14 0.954 4.395 -19.363 1.00 0.00 C ATOM 181 CD2 LEU A 14 1.548 5.598 -21.489 1.00 0.00 C ATOM 0 HA LEU A 14 -0.334 8.352 -20.001 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.239 5.442 -19.847 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.820 6.332 -21.297 1.00 0.00 H new ATOM 0 HG LEU A 14 1.438 6.483 -19.539 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.992 4.073 -19.281 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.532 4.514 -18.365 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.384 3.645 -19.911 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.577 5.259 -21.369 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.995 4.873 -22.086 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.540 6.565 -21.993 1.00 0.00 H new ATOM 193 N LEU A 15 -3.054 7.988 -18.438 1.00 0.00 N ATOM 194 CA LEU A 15 -4.489 8.281 -18.335 1.00 0.00 C ATOM 195 C LEU A 15 -4.774 9.785 -18.190 1.00 0.00 C ATOM 196 O LEU A 15 -3.878 10.630 -18.151 1.00 0.00 O ATOM 197 CB LEU A 15 -5.120 7.501 -17.158 1.00 0.00 C ATOM 198 CG LEU A 15 -4.792 5.996 -17.077 1.00 0.00 C ATOM 199 CD1 LEU A 15 -5.564 5.372 -15.907 1.00 0.00 C ATOM 200 CD2 LEU A 15 -5.126 5.248 -18.376 1.00 0.00 C ATOM 0 H LEU A 15 -2.614 7.838 -17.530 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.946 7.955 -19.269 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.801 7.970 -16.227 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.203 7.612 -17.216 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.717 5.902 -16.921 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.335 4.308 -15.846 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.272 5.860 -14.977 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.634 5.504 -16.066 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.875 4.193 -18.263 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.190 5.347 -18.590 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.550 5.672 -19.198 1.00 0.00 H new ATOM 212 N SER A 16 -6.056 10.104 -18.070 1.00 0.00 N ATOM 213 CA SER A 16 -6.594 11.432 -17.804 1.00 0.00 C ATOM 214 C SER A 16 -6.730 11.698 -16.293 1.00 0.00 C ATOM 215 O SER A 16 -6.917 10.751 -15.519 1.00 0.00 O ATOM 216 CB SER A 16 -7.968 11.509 -18.468 1.00 0.00 C ATOM 217 OG SER A 16 -7.859 11.706 -19.871 1.00 0.00 O ATOM 0 H SER A 16 -6.791 9.402 -18.161 1.00 0.00 H new ATOM 0 HA SER A 16 -5.916 12.187 -18.203 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.520 10.590 -18.271 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.540 12.326 -18.028 1.00 0.00 H new ATOM 0 HG SER A 16 -8.755 11.749 -20.266 1.00 0.00 H new ATOM 223 N PRO A 17 -6.737 12.975 -15.864 1.00 0.00 N ATOM 224 CA PRO A 17 -6.894 13.369 -14.463 1.00 0.00 C ATOM 225 C PRO A 17 -8.241 12.935 -13.863 1.00 0.00 C ATOM 226 O PRO A 17 -8.348 12.791 -12.648 1.00 0.00 O ATOM 227 CB PRO A 17 -6.727 14.894 -14.452 1.00 0.00 C ATOM 228 CG PRO A 17 -7.170 15.314 -15.852 1.00 0.00 C ATOM 229 CD PRO A 17 -6.701 14.151 -16.721 1.00 0.00 C ATOM 0 HA PRO A 17 -6.154 12.873 -13.835 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.341 15.359 -13.681 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.695 15.183 -14.255 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.250 15.452 -15.910 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.712 16.255 -16.155 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.350 14.024 -17.587 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.695 14.328 -17.100 1.00 0.00 H new ATOM 237 N GLU A 18 -9.250 12.676 -14.703 1.00 0.00 N ATOM 238 CA GLU A 18 -10.568 12.190 -14.286 1.00 0.00 C ATOM 239 C GLU A 18 -10.571 10.675 -14.010 1.00 0.00 C ATOM 240 O GLU A 18 -11.282 10.214 -13.120 1.00 0.00 O ATOM 241 CB GLU A 18 -11.608 12.510 -15.376 1.00 0.00 C ATOM 242 CG GLU A 18 -11.674 13.988 -15.792 1.00 0.00 C ATOM 243 CD GLU A 18 -12.056 14.917 -14.627 1.00 0.00 C ATOM 244 OE1 GLU A 18 -13.202 14.826 -14.125 1.00 0.00 O ATOM 245 OE2 GLU A 18 -11.225 15.765 -14.224 1.00 0.00 O ATOM 0 H GLU A 18 -9.170 12.801 -15.712 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.822 12.698 -13.356 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.386 11.909 -16.258 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.592 12.203 -15.021 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.706 14.292 -16.191 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.401 14.103 -16.596 1.00 0.00 H new ATOM 252 N GLU A 19 -9.761 9.897 -14.740 1.00 0.00 N ATOM 253 CA GLU A 19 -9.721 8.428 -14.676 1.00 0.00 C ATOM 254 C GLU A 19 -9.141 7.928 -13.349 1.00 0.00 C ATOM 255 O GLU A 19 -9.701 7.055 -12.686 1.00 0.00 O ATOM 256 CB GLU A 19 -8.829 7.902 -15.812 1.00 0.00 C ATOM 257 CG GLU A 19 -9.505 7.849 -17.183 1.00 0.00 C ATOM 258 CD GLU A 19 -10.652 6.830 -17.240 1.00 0.00 C ATOM 259 OE1 GLU A 19 -10.379 5.607 -17.277 1.00 0.00 O ATOM 260 OE2 GLU A 19 -11.834 7.245 -17.268 1.00 0.00 O ATOM 0 H GLU A 19 -9.096 10.282 -15.411 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.745 8.065 -14.768 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.944 8.534 -15.883 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.486 6.901 -15.552 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.890 8.838 -17.432 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.762 7.597 -17.940 1.00 0.00 H new ATOM 267 N LEU A 20 -8.002 8.508 -12.971 1.00 0.00 N ATOM 268 CA LEU A 20 -7.217 8.162 -11.781 1.00 0.00 C ATOM 269 C LEU A 20 -8.012 8.478 -10.511 1.00 0.00 C ATOM 270 O LEU A 20 -8.068 7.679 -9.576 1.00 0.00 O ATOM 271 CB LEU A 20 -5.911 8.973 -11.805 1.00 0.00 C ATOM 272 CG LEU A 20 -5.079 8.808 -13.099 1.00 0.00 C ATOM 273 CD1 LEU A 20 -4.485 10.165 -13.485 1.00 0.00 C ATOM 274 CD2 LEU A 20 -3.999 7.732 -12.938 1.00 0.00 C ATOM 0 H LEU A 20 -7.581 9.266 -13.508 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.992 7.096 -11.784 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.151 10.028 -11.674 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.298 8.677 -10.954 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.728 8.467 -13.906 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.897 10.059 -14.396 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.290 10.880 -13.654 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.845 10.524 -12.679 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.434 7.642 -13.866 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.325 8.011 -12.128 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.469 6.776 -12.706 1.00 0.00 H new ATOM 286 N LYS A 21 -8.687 9.632 -10.515 1.00 0.00 N ATOM 287 CA LYS A 21 -9.662 10.004 -9.483 1.00 0.00 C ATOM 288 C LYS A 21 -10.871 9.050 -9.467 1.00 0.00 C ATOM 289 O LYS A 21 -11.232 8.556 -8.396 1.00 0.00 O ATOM 290 CB LYS A 21 -10.084 11.475 -9.677 1.00 0.00 C ATOM 291 CG LYS A 21 -9.187 12.492 -8.946 1.00 0.00 C ATOM 292 CD LYS A 21 -7.681 12.341 -9.216 1.00 0.00 C ATOM 293 CE LYS A 21 -6.919 13.550 -8.655 1.00 0.00 C ATOM 294 NZ LYS A 21 -5.461 13.457 -8.930 1.00 0.00 N ATOM 0 H LYS A 21 -8.572 10.340 -11.240 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.191 9.908 -8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.080 11.705 -10.743 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.110 11.596 -9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.494 13.497 -9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.360 12.401 -7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.312 11.424 -8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.503 12.255 -10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.315 14.466 -9.095 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.083 13.616 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.980 14.291 -8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.079 12.596 -8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.303 13.419 -9.957 1.00 0.00 H new ATOM 308 N ALA A 22 -11.461 8.723 -10.623 1.00 0.00 N ATOM 309 CA ALA A 22 -12.642 7.849 -10.710 1.00 0.00 C ATOM 310 C ALA A 22 -12.371 6.409 -10.237 1.00 0.00 C ATOM 311 O ALA A 22 -13.243 5.803 -9.611 1.00 0.00 O ATOM 312 CB ALA A 22 -13.189 7.874 -12.142 1.00 0.00 C ATOM 0 H ALA A 22 -11.133 9.057 -11.529 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.393 8.242 -10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.064 7.227 -12.209 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.470 8.893 -12.406 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.422 7.519 -12.831 1.00 0.00 H new ATOM 391 N GLU A 29 -12.752 2.280 -1.157 1.00 0.00 N ATOM 392 CA GLU A 29 -11.940 1.248 -0.502 1.00 0.00 C ATOM 393 C GLU A 29 -10.439 1.470 -0.749 1.00 0.00 C ATOM 394 O GLU A 29 -10.046 2.456 -1.364 1.00 0.00 O ATOM 395 CB GLU A 29 -12.369 -0.126 -1.035 1.00 0.00 C ATOM 396 CG GLU A 29 -12.832 -1.084 0.071 1.00 0.00 C ATOM 397 CD GLU A 29 -14.171 -0.651 0.691 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.231 -0.927 0.081 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.168 -0.061 1.795 1.00 0.00 O ATOM 0 HA GLU A 29 -12.102 1.302 0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.177 0.006 -1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.535 -0.577 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.932 -2.089 -0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.071 -1.132 0.850 1.00 0.00 H new ATOM 406 N TYR A 30 -9.602 0.534 -0.289 1.00 0.00 N ATOM 407 CA TYR A 30 -8.143 0.529 -0.454 1.00 0.00 C ATOM 408 C TYR A 30 -7.521 -0.796 0.010 1.00 0.00 C ATOM 409 O TYR A 30 -8.035 -1.469 0.907 1.00 0.00 O ATOM 410 CB TYR A 30 -7.493 1.698 0.304 1.00 0.00 C ATOM 411 CG TYR A 30 -7.614 1.585 1.812 1.00 0.00 C ATOM 412 CD1 TYR A 30 -8.857 1.812 2.435 1.00 0.00 C ATOM 413 CD2 TYR A 30 -6.503 1.181 2.576 1.00 0.00 C ATOM 414 CE1 TYR A 30 -8.981 1.669 3.831 1.00 0.00 C ATOM 415 CE2 TYR A 30 -6.623 1.022 3.969 1.00 0.00 C ATOM 416 CZ TYR A 30 -7.861 1.276 4.603 1.00 0.00 C ATOM 417 OH TYR A 30 -7.971 1.135 5.954 1.00 0.00 O ATOM 0 H TYR A 30 -9.937 -0.277 0.231 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.948 0.645 -1.520 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.438 1.753 0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -7.953 2.631 -0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.714 2.096 1.843 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.556 0.993 2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.929 1.859 4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.771 0.707 4.553 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.107 0.859 6.325 1.00 0.00 H new ATOM 427 N ALA A 31 -6.383 -1.140 -0.587 1.00 0.00 N ATOM 428 CA ALA A 31 -5.560 -2.296 -0.255 1.00 0.00 C ATOM 429 C ALA A 31 -4.093 -2.010 -0.593 1.00 0.00 C ATOM 430 O ALA A 31 -3.787 -1.325 -1.568 1.00 0.00 O ATOM 431 CB ALA A 31 -6.091 -3.522 -1.009 1.00 0.00 C ATOM 0 H ALA A 31 -5.992 -0.592 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.613 -2.502 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.480 -4.391 -0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.124 -3.710 -0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.047 -3.336 -2.082 1.00 0.00 H new ATOM 437 N TRP A 32 -3.194 -2.559 0.222 1.00 0.00 N ATOM 438 CA TRP A 32 -1.748 -2.506 0.016 1.00 0.00 C ATOM 439 C TRP A 32 -1.228 -3.881 -0.419 1.00 0.00 C ATOM 440 O TRP A 32 -1.741 -4.917 0.015 1.00 0.00 O ATOM 441 CB TRP A 32 -1.067 -2.024 1.304 1.00 0.00 C ATOM 442 CG TRP A 32 -1.136 -0.551 1.566 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.241 0.160 1.884 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.043 0.416 1.520 1.00 0.00 C ATOM 445 NE1 TRP A 32 -1.913 1.493 2.034 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.562 1.704 1.854 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.339 0.329 1.230 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.258 2.840 1.926 1.00 0.00 C ATOM 449 CZ3 TRP A 32 2.160 1.468 1.284 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.621 2.711 1.637 1.00 0.00 C ATOM 0 H TRP A 32 -3.458 -3.066 1.066 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.512 -1.799 -0.779 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.518 -2.546 2.148 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.018 -2.319 1.270 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.232 -0.253 2.003 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.585 2.229 2.251 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.769 -0.625 0.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.156 3.799 2.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.211 1.384 1.052 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.263 3.578 1.687 1.00 0.00 H new ATOM 461 N TYR A 33 -0.181 -3.885 -1.243 1.00 0.00 N ATOM 462 CA TYR A 33 0.452 -5.088 -1.792 1.00 0.00 C ATOM 463 C TYR A 33 1.985 -4.984 -1.785 1.00 0.00 C ATOM 464 O TYR A 33 2.542 -3.895 -1.929 1.00 0.00 O ATOM 465 CB TYR A 33 -0.052 -5.338 -3.224 1.00 0.00 C ATOM 466 CG TYR A 33 -1.494 -5.796 -3.358 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.550 -4.865 -3.275 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.778 -7.152 -3.618 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.886 -5.289 -3.411 1.00 0.00 C ATOM 470 CE2 TYR A 33 -3.110 -7.582 -3.763 1.00 0.00 C ATOM 471 CZ TYR A 33 -4.170 -6.652 -3.654 1.00 0.00 C ATOM 472 OH TYR A 33 -5.463 -7.057 -3.791 1.00 0.00 O ATOM 0 H TYR A 33 0.266 -3.024 -1.558 1.00 0.00 H new ATOM 0 HA TYR A 33 0.176 -5.928 -1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.069 -4.418 -3.795 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.590 -6.088 -3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.333 -3.821 -3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.970 -7.864 -3.706 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.692 -4.574 -3.330 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.323 -8.623 -3.958 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.488 -8.023 -3.955 1.00 0.00 H new ATOM 482 N TYR A 34 2.667 -6.123 -1.658 1.00 0.00 N ATOM 483 CA TYR A 34 4.132 -6.241 -1.607 1.00 0.00 C ATOM 484 C TYR A 34 4.642 -7.419 -2.457 1.00 0.00 C ATOM 485 O TYR A 34 3.905 -8.383 -2.683 1.00 0.00 O ATOM 486 CB TYR A 34 4.576 -6.410 -0.145 1.00 0.00 C ATOM 487 CG TYR A 34 4.198 -7.734 0.504 1.00 0.00 C ATOM 488 CD1 TYR A 34 2.935 -7.900 1.103 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.111 -8.808 0.495 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.572 -9.134 1.673 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.757 -10.046 1.062 1.00 0.00 C ATOM 492 CZ TYR A 34 3.485 -10.215 1.651 1.00 0.00 C ATOM 493 OH TYR A 34 3.143 -11.417 2.193 1.00 0.00 O ATOM 0 H TYR A 34 2.199 -7.026 -1.585 1.00 0.00 H new ATOM 0 HA TYR A 34 4.563 -5.331 -2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.659 -6.297 -0.097 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.145 -5.600 0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.240 -7.074 1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.087 -8.680 0.051 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.599 -9.256 2.126 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.458 -10.867 1.047 1.00 0.00 H new ATOM 0 HH TYR A 34 3.887 -12.046 2.090 1.00 0.00 H new ATOM 503 N GLU A 35 5.900 -7.364 -2.906 1.00 0.00 N ATOM 504 CA GLU A 35 6.531 -8.468 -3.639 1.00 0.00 C ATOM 505 C GLU A 35 6.954 -9.614 -2.698 1.00 0.00 C ATOM 506 O GLU A 35 7.820 -9.442 -1.834 1.00 0.00 O ATOM 507 CB GLU A 35 7.754 -7.977 -4.431 1.00 0.00 C ATOM 508 CG GLU A 35 7.398 -7.002 -5.558 1.00 0.00 C ATOM 509 CD GLU A 35 8.622 -6.740 -6.450 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.613 -6.149 -5.963 1.00 0.00 O ATOM 511 OE2 GLU A 35 8.607 -7.141 -7.639 1.00 0.00 O ATOM 0 H GLU A 35 6.508 -6.556 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 35 5.784 -8.852 -4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.450 -7.491 -3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.272 -8.837 -4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.585 -7.411 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.041 -6.063 -5.135 1.00 0.00 H new ATOM 518 N GLY A 36 6.360 -10.796 -2.891 1.00 0.00 N ATOM 519 CA GLY A 36 6.769 -12.063 -2.268 1.00 0.00 C ATOM 520 C GLY A 36 7.502 -12.982 -3.253 1.00 0.00 C ATOM 521 O GLY A 36 7.973 -12.538 -4.302 1.00 0.00 O ATOM 0 H GLY A 36 5.553 -10.903 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.417 -11.855 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.889 -12.576 -1.881 1.00 0.00 H new ATOM 525 N ARG A 37 7.586 -14.277 -2.922 1.00 0.00 N ATOM 526 CA ARG A 37 8.276 -15.296 -3.738 1.00 0.00 C ATOM 527 C ARG A 37 7.650 -15.463 -5.137 1.00 0.00 C ATOM 528 O ARG A 37 8.373 -15.532 -6.134 1.00 0.00 O ATOM 529 CB ARG A 37 8.270 -16.635 -2.969 1.00 0.00 C ATOM 530 CG ARG A 37 9.076 -17.765 -3.641 1.00 0.00 C ATOM 531 CD ARG A 37 10.602 -17.578 -3.597 1.00 0.00 C ATOM 532 NE ARG A 37 11.163 -17.972 -2.289 1.00 0.00 N ATOM 533 CZ ARG A 37 11.509 -17.186 -1.274 1.00 0.00 C ATOM 534 NH1 ARG A 37 11.391 -15.878 -1.315 1.00 0.00 N ATOM 535 NH2 ARG A 37 11.990 -17.724 -0.176 1.00 0.00 N ATOM 0 H ARG A 37 7.173 -14.656 -2.070 1.00 0.00 H new ATOM 0 HA ARG A 37 9.300 -14.963 -3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.670 -16.466 -1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.238 -16.965 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.825 -18.709 -3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.763 -17.847 -4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.064 -18.172 -4.385 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.847 -16.535 -3.799 1.00 0.00 H new ATOM 0 HE ARG A 37 11.302 -18.972 -2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.021 -15.425 -2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.670 -15.315 -0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.095 -18.736 -0.108 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.258 -17.129 0.608 1.00 0.00 H new ATOM 549 N ASN A 38 6.315 -15.530 -5.206 1.00 0.00 N ATOM 550 CA ASN A 38 5.558 -15.901 -6.416 1.00 0.00 C ATOM 551 C ASN A 38 4.827 -14.737 -7.126 1.00 0.00 C ATOM 552 O ASN A 38 4.290 -14.933 -8.220 1.00 0.00 O ATOM 553 CB ASN A 38 4.584 -17.034 -6.045 1.00 0.00 C ATOM 554 CG ASN A 38 5.292 -18.318 -5.607 1.00 0.00 C ATOM 555 OD1 ASN A 38 6.299 -18.730 -6.172 1.00 0.00 O ATOM 556 ND2 ASN A 38 4.792 -18.985 -4.581 1.00 0.00 N ATOM 0 H ASN A 38 5.715 -15.324 -4.407 1.00 0.00 H new ATOM 0 HA ASN A 38 6.286 -16.231 -7.157 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.931 -16.694 -5.241 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.947 -17.252 -6.902 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.244 -19.841 -4.260 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.954 -18.643 -4.110 1.00 0.00 H new ATOM 563 N GLY A 39 4.800 -13.536 -6.534 1.00 0.00 N ATOM 564 CA GLY A 39 4.145 -12.337 -7.084 1.00 0.00 C ATOM 565 C GLY A 39 3.744 -11.320 -6.015 1.00 0.00 C ATOM 566 O GLY A 39 4.293 -11.320 -4.912 1.00 0.00 O ATOM 0 H GLY A 39 5.246 -13.364 -5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.818 -11.859 -7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.257 -12.639 -7.639 1.00 0.00 H new ATOM 570 N TRP A 40 2.795 -10.442 -6.351 1.00 0.00 N ATOM 571 CA TRP A 40 2.210 -9.465 -5.429 1.00 0.00 C ATOM 572 C TRP A 40 1.184 -10.116 -4.489 1.00 0.00 C ATOM 573 O TRP A 40 0.285 -10.828 -4.946 1.00 0.00 O ATOM 574 CB TRP A 40 1.551 -8.336 -6.230 1.00 0.00 C ATOM 575 CG TRP A 40 2.481 -7.576 -7.119 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.689 -7.831 -8.430 1.00 0.00 C ATOM 577 CD2 TRP A 40 3.358 -6.456 -6.784 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.639 -6.963 -8.925 1.00 0.00 N ATOM 579 CE2 TRP A 40 4.077 -6.083 -7.959 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.616 -5.717 -5.609 1.00 0.00 C ATOM 581 CZ2 TRP A 40 5.001 -5.027 -7.971 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.543 -4.657 -5.611 1.00 0.00 C ATOM 583 CH2 TRP A 40 5.231 -4.309 -6.787 1.00 0.00 C ATOM 0 H TRP A 40 2.404 -10.390 -7.292 1.00 0.00 H new ATOM 0 HA TRP A 40 3.010 -9.059 -4.810 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.753 -8.759 -6.839 1.00 0.00 H new ATOM 0 HB3 TRP A 40 1.085 -7.639 -5.534 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.188 -8.598 -9.002 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.976 -6.971 -9.888 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.096 -5.968 -4.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.528 -4.770 -8.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.727 -4.106 -4.701 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.935 -3.490 -6.779 1.00 0.00 H new ATOM 594 N TRP A 41 1.283 -9.820 -3.190 1.00 0.00 N ATOM 595 CA TRP A 41 0.403 -10.351 -2.139 1.00 0.00 C ATOM 596 C TRP A 41 -0.108 -9.233 -1.225 1.00 0.00 C ATOM 597 O TRP A 41 0.597 -8.253 -0.981 1.00 0.00 O ATOM 598 CB TRP A 41 1.153 -11.442 -1.358 1.00 0.00 C ATOM 599 CG TRP A 41 1.587 -12.588 -2.218 1.00 0.00 C ATOM 600 CD1 TRP A 41 2.863 -12.966 -2.445 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.763 -13.443 -3.068 1.00 0.00 C ATOM 602 NE1 TRP A 41 2.889 -13.975 -3.388 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.623 -14.275 -3.843 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.624 -13.559 -3.298 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.134 -15.150 -4.825 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -1.127 -14.436 -4.275 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.253 -15.228 -5.042 1.00 0.00 C ATOM 0 H TRP A 41 1.996 -9.187 -2.828 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.480 -10.798 -2.596 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.029 -11.002 -0.881 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.510 -11.817 -0.561 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.732 -12.543 -1.962 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.739 -14.440 -3.708 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.311 -12.964 -2.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.814 -15.755 -5.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.193 -14.502 -4.438 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.646 -15.894 -5.796 1.00 0.00 H new ATOM 618 N GLN A 42 -1.353 -9.359 -0.760 1.00 0.00 N ATOM 619 CA GLN A 42 -2.051 -8.323 0.006 1.00 0.00 C ATOM 620 C GLN A 42 -1.687 -8.394 1.501 1.00 0.00 C ATOM 621 O GLN A 42 -1.573 -9.480 2.072 1.00 0.00 O ATOM 622 CB GLN A 42 -3.568 -8.485 -0.207 1.00 0.00 C ATOM 623 CG GLN A 42 -4.355 -7.216 0.165 1.00 0.00 C ATOM 624 CD GLN A 42 -5.874 -7.415 0.113 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.419 -8.178 -0.678 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.625 -6.747 0.966 1.00 0.00 N ATOM 0 H GLN A 42 -1.914 -10.198 -0.908 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.739 -7.340 -0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.760 -8.735 -1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.928 -9.321 0.393 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.070 -6.900 1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.076 -6.410 -0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.194 -6.107 1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.638 -6.870 0.959 1.00 0.00 H new ATOM 635 N TYR A 43 -1.547 -7.235 2.151 1.00 0.00 N ATOM 636 CA TYR A 43 -1.417 -7.130 3.613 1.00 0.00 C ATOM 637 C TYR A 43 -2.726 -7.442 4.366 1.00 0.00 C ATOM 638 O TYR A 43 -3.828 -7.366 3.814 1.00 0.00 O ATOM 639 CB TYR A 43 -0.951 -5.715 3.980 1.00 0.00 C ATOM 640 CG TYR A 43 0.493 -5.418 3.659 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.510 -5.743 4.577 1.00 0.00 C ATOM 642 CD2 TYR A 43 0.817 -4.785 2.449 1.00 0.00 C ATOM 643 CE1 TYR A 43 2.845 -5.415 4.287 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.144 -4.442 2.152 1.00 0.00 C ATOM 645 CZ TYR A 43 3.160 -4.755 3.079 1.00 0.00 C ATOM 646 OH TYR A 43 4.445 -4.436 2.789 1.00 0.00 O ATOM 0 H TYR A 43 -1.520 -6.333 1.676 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.686 -7.878 3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.580 -4.994 3.457 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.110 -5.561 5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.264 -6.243 5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.035 -4.559 1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.628 -5.667 4.986 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.385 -3.944 1.224 1.00 0.00 H new ATOM 0 HH TYR A 43 4.910 -5.228 2.447 1.00 0.00 H new ATOM 656 N ASP A 44 -2.607 -7.737 5.665 1.00 0.00 N ATOM 657 CA ASP A 44 -3.745 -7.843 6.585 1.00 0.00 C ATOM 658 C ASP A 44 -4.310 -6.455 6.932 1.00 0.00 C ATOM 659 O ASP A 44 -3.578 -5.466 6.961 1.00 0.00 O ATOM 660 CB ASP A 44 -3.307 -8.596 7.847 1.00 0.00 C ATOM 661 CG ASP A 44 -4.486 -8.886 8.783 1.00 0.00 C ATOM 662 OD1 ASP A 44 -4.795 -8.012 9.619 1.00 0.00 O ATOM 663 OD2 ASP A 44 -5.114 -9.963 8.647 1.00 0.00 O ATOM 0 H ASP A 44 -1.707 -7.911 6.112 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.545 -8.401 6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.831 -9.534 7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.559 -8.008 8.378 1.00 0.00 H new ATOM 668 N GLU A 45 -5.610 -6.391 7.222 1.00 0.00 N ATOM 669 CA GLU A 45 -6.331 -5.146 7.521 1.00 0.00 C ATOM 670 C GLU A 45 -5.870 -4.426 8.806 1.00 0.00 C ATOM 671 O GLU A 45 -6.038 -3.209 8.918 1.00 0.00 O ATOM 672 CB GLU A 45 -7.848 -5.403 7.537 1.00 0.00 C ATOM 673 CG GLU A 45 -8.304 -6.427 8.586 1.00 0.00 C ATOM 674 CD GLU A 45 -9.833 -6.563 8.593 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.374 -7.404 7.836 1.00 0.00 O ATOM 676 OE2 GLU A 45 -10.505 -5.836 9.361 1.00 0.00 O ATOM 0 H GLU A 45 -6.206 -7.218 7.257 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.083 -4.455 6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.363 -4.460 7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.157 -5.749 6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.850 -7.395 8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.958 -6.121 9.573 1.00 0.00 H new ATOM 683 N ARG A 46 -5.235 -5.134 9.754 1.00 0.00 N ATOM 684 CA ARG A 46 -4.567 -4.521 10.918 1.00 0.00 C ATOM 685 C ARG A 46 -3.323 -3.737 10.497 1.00 0.00 C ATOM 686 O ARG A 46 -3.034 -2.668 11.040 1.00 0.00 O ATOM 687 CB ARG A 46 -4.117 -5.594 11.925 1.00 0.00 C ATOM 688 CG ARG A 46 -5.233 -6.069 12.853 1.00 0.00 C ATOM 689 CD ARG A 46 -6.277 -6.996 12.217 1.00 0.00 C ATOM 690 NE ARG A 46 -7.337 -7.354 13.177 1.00 0.00 N ATOM 691 CZ ARG A 46 -8.453 -6.674 13.425 1.00 0.00 C ATOM 692 NH1 ARG A 46 -8.731 -5.536 12.821 1.00 0.00 N ATOM 693 NH2 ARG A 46 -9.317 -7.139 14.299 1.00 0.00 N ATOM 0 H ARG A 46 -5.169 -6.152 9.736 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.296 -3.851 11.375 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.722 -6.450 11.378 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.300 -5.195 12.527 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.781 -6.587 13.699 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.746 -5.194 13.252 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.720 -6.506 11.350 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.790 -7.902 11.857 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.200 -8.214 13.707 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.080 -5.149 12.138 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.597 -5.042 13.037 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.130 -8.017 14.783 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.174 -6.622 14.493 1.00 0.00 H new ATOM 707 N THR A 47 -2.587 -4.301 9.540 1.00 0.00 N ATOM 708 CA THR A 47 -1.311 -3.786 9.024 1.00 0.00 C ATOM 709 C THR A 47 -1.502 -2.695 7.980 1.00 0.00 C ATOM 710 O THR A 47 -0.952 -1.610 8.137 1.00 0.00 O ATOM 711 CB THR A 47 -0.454 -4.939 8.487 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.241 -5.841 9.551 1.00 0.00 O ATOM 713 CG2 THR A 47 0.901 -4.437 7.988 1.00 0.00 C ATOM 0 H THR A 47 -2.872 -5.166 9.081 1.00 0.00 H new ATOM 0 HA THR A 47 -0.783 -3.318 9.855 1.00 0.00 H new ATOM 0 HB THR A 47 -0.968 -5.413 7.651 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.304 -6.593 9.238 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.485 -5.278 7.614 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.749 -3.715 7.186 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.437 -3.960 8.808 1.00 0.00 H new ATOM 721 N SER A 48 -2.286 -2.932 6.931 1.00 0.00 N ATOM 722 CA SER A 48 -2.400 -2.015 5.784 1.00 0.00 C ATOM 723 C SER A 48 -2.939 -0.632 6.161 1.00 0.00 C ATOM 724 O SER A 48 -2.507 0.379 5.599 1.00 0.00 O ATOM 725 CB SER A 48 -3.281 -2.628 4.690 1.00 0.00 C ATOM 726 OG SER A 48 -4.607 -2.852 5.146 1.00 0.00 O ATOM 0 H SER A 48 -2.865 -3.767 6.846 1.00 0.00 H new ATOM 0 HA SER A 48 -1.385 -1.872 5.412 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.301 -1.965 3.825 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.846 -3.571 4.359 1.00 0.00 H new ATOM 0 HG SER A 48 -5.140 -3.242 4.422 1.00 0.00 H new ATOM 732 N ARG A 49 -3.806 -0.562 7.180 1.00 0.00 N ATOM 733 CA ARG A 49 -4.316 0.706 7.692 1.00 0.00 C ATOM 734 C ARG A 49 -3.208 1.579 8.287 1.00 0.00 C ATOM 735 O ARG A 49 -3.320 2.797 8.231 1.00 0.00 O ATOM 736 CB ARG A 49 -5.487 0.472 8.659 1.00 0.00 C ATOM 737 CG ARG A 49 -5.099 -0.041 10.059 1.00 0.00 C ATOM 738 CD ARG A 49 -4.607 0.996 11.087 1.00 0.00 C ATOM 739 NE ARG A 49 -5.467 2.191 11.172 1.00 0.00 N ATOM 740 CZ ARG A 49 -5.055 3.432 11.422 1.00 0.00 C ATOM 741 NH1 ARG A 49 -3.822 3.715 11.781 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.892 4.439 11.313 1.00 0.00 N ATOM 0 H ARG A 49 -4.169 -1.381 7.667 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.709 1.275 6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.034 1.408 8.773 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.172 -0.244 8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.965 -0.549 10.483 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.317 -0.791 9.937 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.553 0.526 12.069 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.595 1.304 10.825 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.467 2.054 11.026 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.135 2.967 11.878 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.553 4.682 11.962 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.859 4.271 11.036 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.575 5.389 11.505 1.00 0.00 H new ATOM 756 N GLU A 50 -2.123 0.994 8.812 1.00 0.00 N ATOM 757 CA GLU A 50 -1.012 1.774 9.385 1.00 0.00 C ATOM 758 C GLU A 50 -0.238 2.496 8.272 1.00 0.00 C ATOM 759 O GLU A 50 0.174 3.645 8.423 1.00 0.00 O ATOM 760 CB GLU A 50 -0.049 0.868 10.177 1.00 0.00 C ATOM 761 CG GLU A 50 -0.694 0.118 11.352 1.00 0.00 C ATOM 762 CD GLU A 50 -0.932 1.034 12.561 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.882 1.851 12.523 1.00 0.00 O ATOM 764 OE2 GLU A 50 -0.178 0.939 13.558 1.00 0.00 O ATOM 0 H GLU A 50 -1.989 -0.016 8.853 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.438 2.510 10.067 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.387 0.139 9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.770 1.477 10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.643 -0.311 11.030 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.053 -0.712 11.647 1.00 0.00 H new ATOM 771 N LEU A 51 -0.106 1.823 7.127 1.00 0.00 N ATOM 772 CA LEU A 51 0.570 2.304 5.923 1.00 0.00 C ATOM 773 C LEU A 51 -0.258 3.411 5.248 1.00 0.00 C ATOM 774 O LEU A 51 0.281 4.452 4.870 1.00 0.00 O ATOM 775 CB LEU A 51 0.798 1.101 4.981 1.00 0.00 C ATOM 776 CG LEU A 51 1.333 -0.188 5.645 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.437 -1.315 4.609 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.682 0.046 6.329 1.00 0.00 C ATOM 0 H LEU A 51 -0.486 0.884 7.010 1.00 0.00 H new ATOM 0 HA LEU A 51 1.535 2.743 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.146 0.867 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.499 1.402 4.202 1.00 0.00 H new ATOM 0 HG LEU A 51 0.624 -0.485 6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.815 -2.217 5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.452 -1.514 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.118 -1.015 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.025 -0.883 6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.411 0.380 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.572 0.808 7.100 1.00 0.00 H new ATOM 790 N GLU A 52 -1.574 3.201 5.169 1.00 0.00 N ATOM 791 CA GLU A 52 -2.562 4.160 4.670 1.00 0.00 C ATOM 792 C GLU A 52 -2.664 5.433 5.539 1.00 0.00 C ATOM 793 O GLU A 52 -2.909 6.525 5.025 1.00 0.00 O ATOM 794 CB GLU A 52 -3.927 3.449 4.605 1.00 0.00 C ATOM 795 CG GLU A 52 -5.003 4.201 3.806 1.00 0.00 C ATOM 796 CD GLU A 52 -4.792 4.176 2.285 1.00 0.00 C ATOM 797 OE1 GLU A 52 -3.852 3.518 1.781 1.00 0.00 O ATOM 798 OE2 GLU A 52 -5.591 4.821 1.569 1.00 0.00 O ATOM 0 H GLU A 52 -1.998 2.321 5.463 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.244 4.495 3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.787 2.463 4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.290 3.294 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.977 3.768 4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.029 5.238 4.141 1.00 0.00 H new ATOM 805 N ASP A 53 -2.462 5.319 6.855 1.00 0.00 N ATOM 806 CA ASP A 53 -2.605 6.427 7.807 1.00 0.00 C ATOM 807 C ASP A 53 -1.350 7.298 7.846 1.00 0.00 C ATOM 808 O ASP A 53 -1.426 8.506 8.015 1.00 0.00 O ATOM 809 CB ASP A 53 -2.875 5.843 9.199 1.00 0.00 C ATOM 810 CG ASP A 53 -3.434 6.825 10.239 1.00 0.00 C ATOM 811 OD1 ASP A 53 -4.073 7.838 9.872 1.00 0.00 O ATOM 812 OD2 ASP A 53 -3.306 6.510 11.448 1.00 0.00 O ATOM 0 H ASP A 53 -2.190 4.441 7.297 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.434 7.059 7.489 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.576 5.015 9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.944 5.426 9.584 1.00 0.00 H new ATOM 817 N ALA A 54 -0.188 6.681 7.654 1.00 0.00 N ATOM 818 CA ALA A 54 1.122 7.330 7.702 1.00 0.00 C ATOM 819 C ALA A 54 1.279 8.491 6.702 1.00 0.00 C ATOM 820 O ALA A 54 1.657 9.592 7.111 1.00 0.00 O ATOM 821 CB ALA A 54 2.176 6.242 7.515 1.00 0.00 C ATOM 0 H ALA A 54 -0.128 5.683 7.454 1.00 0.00 H new ATOM 0 HA ALA A 54 1.246 7.815 8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.170 6.689 7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.085 5.506 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.027 5.753 6.552 1.00 0.00 H new ATOM 827 N PHE A 55 0.920 8.293 5.425 1.00 0.00 N ATOM 828 CA PHE A 55 0.953 9.377 4.430 1.00 0.00 C ATOM 829 C PHE A 55 -0.128 10.438 4.681 1.00 0.00 C ATOM 830 O PHE A 55 -0.001 11.583 4.249 1.00 0.00 O ATOM 831 CB PHE A 55 0.897 8.811 3.002 1.00 0.00 C ATOM 832 CG PHE A 55 -0.441 8.293 2.507 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.421 9.201 2.061 1.00 0.00 C ATOM 834 CD2 PHE A 55 -0.674 6.909 2.398 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.625 8.731 1.508 1.00 0.00 C ATOM 836 CE2 PHE A 55 -1.865 6.441 1.817 1.00 0.00 C ATOM 837 CZ PHE A 55 -2.844 7.349 1.378 1.00 0.00 C ATOM 0 H PHE A 55 0.604 7.396 5.057 1.00 0.00 H new ATOM 0 HA PHE A 55 1.906 9.894 4.542 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.230 9.591 2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.619 7.997 2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.247 10.264 2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.062 6.207 2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.381 9.431 1.184 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.029 5.379 1.707 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.763 6.985 0.942 1.00 0.00 H new ATOM 847 N SER A 56 -1.174 10.065 5.414 1.00 0.00 N ATOM 848 CA SER A 56 -2.253 10.962 5.848 1.00 0.00 C ATOM 849 C SER A 56 -1.862 11.798 7.087 1.00 0.00 C ATOM 850 O SER A 56 -2.279 12.952 7.230 1.00 0.00 O ATOM 851 CB SER A 56 -3.515 10.128 6.122 1.00 0.00 C ATOM 852 OG SER A 56 -4.689 10.919 5.996 1.00 0.00 O ATOM 0 H SER A 56 -1.302 9.105 5.734 1.00 0.00 H new ATOM 0 HA SER A 56 -2.448 11.677 5.048 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.560 9.291 5.425 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.464 9.705 7.125 1.00 0.00 H new ATOM 0 HG SER A 56 -5.477 10.365 6.174 1.00 0.00 H new ATOM 858 N LYS A 57 -1.001 11.259 7.961 1.00 0.00 N ATOM 859 CA LYS A 57 -0.472 11.938 9.151 1.00 0.00 C ATOM 860 C LYS A 57 0.580 12.988 8.772 1.00 0.00 C ATOM 861 O LYS A 57 0.516 14.119 9.261 1.00 0.00 O ATOM 862 CB LYS A 57 0.140 10.890 10.094 1.00 0.00 C ATOM 863 CG LYS A 57 -0.911 10.084 10.877 1.00 0.00 C ATOM 864 CD LYS A 57 -0.359 8.714 11.303 1.00 0.00 C ATOM 865 CE LYS A 57 0.963 8.792 12.084 1.00 0.00 C ATOM 866 NZ LYS A 57 0.737 8.956 13.546 1.00 0.00 N ATOM 0 H LYS A 57 -0.643 10.310 7.856 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.289 12.457 9.652 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.754 10.203 9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.803 11.390 10.800 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.219 10.645 11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.799 9.945 10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.104 8.208 11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.209 8.101 10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.543 7.887 11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.555 9.628 11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.653 9.004 14.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.205 9.833 13.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.194 8.145 13.906 1.00 0.00 H new ATOM 880 N GLY A 58 1.510 12.622 7.882 1.00 0.00 N ATOM 881 CA GLY A 58 2.594 13.482 7.391 1.00 0.00 C ATOM 882 C GLY A 58 3.987 12.860 7.513 1.00 0.00 C ATOM 883 O GLY A 58 4.943 13.431 6.992 1.00 0.00 O ATOM 0 H GLY A 58 1.530 11.689 7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.406 13.724 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.577 14.421 7.944 1.00 0.00 H new ATOM 887 N LYS A 59 4.123 11.702 8.174 1.00 0.00 N ATOM 888 CA LYS A 59 5.385 10.951 8.190 1.00 0.00 C ATOM 889 C LYS A 59 5.753 10.391 6.799 1.00 0.00 C ATOM 890 O LYS A 59 4.892 10.073 5.979 1.00 0.00 O ATOM 891 CB LYS A 59 5.364 9.854 9.276 1.00 0.00 C ATOM 892 CG LYS A 59 4.107 8.974 9.247 1.00 0.00 C ATOM 893 CD LYS A 59 4.259 7.677 10.053 1.00 0.00 C ATOM 894 CE LYS A 59 4.706 7.879 11.509 1.00 0.00 C ATOM 895 NZ LYS A 59 4.905 6.577 12.204 1.00 0.00 N ATOM 0 H LYS A 59 3.371 11.264 8.706 1.00 0.00 H new ATOM 0 HA LYS A 59 6.177 11.653 8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.242 9.220 9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.443 10.325 10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.264 9.542 9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.869 8.726 8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.306 7.148 10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.982 7.035 9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.635 8.450 11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.959 8.467 12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.304 6.541 13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.648 5.799 11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.902 6.481 12.482 1.00 0.00 H new ATOM 909 N LYS A 60 7.058 10.233 6.557 1.00 0.00 N ATOM 910 CA LYS A 60 7.626 9.740 5.287 1.00 0.00 C ATOM 911 C LYS A 60 7.947 8.233 5.300 1.00 0.00 C ATOM 912 O LYS A 60 8.370 7.666 4.293 1.00 0.00 O ATOM 913 CB LYS A 60 8.830 10.625 4.902 1.00 0.00 C ATOM 914 CG LYS A 60 10.135 10.360 5.665 1.00 0.00 C ATOM 915 CD LYS A 60 11.214 11.375 5.261 1.00 0.00 C ATOM 916 CE LYS A 60 12.522 11.093 6.013 1.00 0.00 C ATOM 917 NZ LYS A 60 13.586 12.065 5.649 1.00 0.00 N ATOM 0 H LYS A 60 7.771 10.448 7.253 1.00 0.00 H new ATOM 0 HA LYS A 60 6.868 9.829 4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.023 10.497 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.551 11.668 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.954 10.422 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.484 9.348 5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.387 11.323 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.872 12.386 5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.341 11.137 7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.860 10.082 5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.454 11.843 6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.776 12.005 4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.273 13.028 5.887 1.00 0.00 H new ATOM 931 N ASN A 61 7.744 7.580 6.448 1.00 0.00 N ATOM 932 CA ASN A 61 7.954 6.148 6.678 1.00 0.00 C ATOM 933 C ASN A 61 7.336 5.728 8.017 1.00 0.00 C ATOM 934 O ASN A 61 7.256 6.535 8.947 1.00 0.00 O ATOM 935 CB ASN A 61 9.444 5.755 6.623 1.00 0.00 C ATOM 936 CG ASN A 61 10.260 6.359 7.759 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.620 7.619 7.622 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.556 5.720 8.760 1.00 0.00 N flip ATOM 0 H ASN A 61 7.412 8.060 7.284 1.00 0.00 H new ATOM 0 HA ASN A 61 7.455 5.615 5.869 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.529 4.669 6.659 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.864 6.076 5.670 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.268 4.745 8.847 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.091 6.162 9.508 1.00 0.00 H new ATOM 945 N THR A 62 6.914 4.467 8.110 1.00 0.00 N ATOM 946 CA THR A 62 6.248 3.874 9.284 1.00 0.00 C ATOM 947 C THR A 62 6.737 2.449 9.532 1.00 0.00 C ATOM 948 O THR A 62 7.596 1.958 8.807 1.00 0.00 O ATOM 949 CB THR A 62 4.725 4.030 9.176 1.00 0.00 C ATOM 950 OG1 THR A 62 4.197 3.908 10.476 1.00 0.00 O ATOM 951 CG2 THR A 62 4.051 3.029 8.237 1.00 0.00 C ATOM 0 H THR A 62 7.028 3.801 7.346 1.00 0.00 H new ATOM 0 HA THR A 62 6.529 4.422 10.183 1.00 0.00 H new ATOM 0 HB THR A 62 4.520 5.006 8.737 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.222 4.005 10.444 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.977 3.212 8.221 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.454 3.146 7.231 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.242 2.015 8.589 1.00 0.00 H new ATOM 959 N GLU A 63 6.237 1.792 10.573 1.00 0.00 N ATOM 960 CA GLU A 63 6.724 0.507 11.071 1.00 0.00 C ATOM 961 C GLU A 63 5.577 -0.483 11.291 1.00 0.00 C ATOM 962 O GLU A 63 4.470 -0.108 11.691 1.00 0.00 O ATOM 963 CB GLU A 63 7.482 0.736 12.384 1.00 0.00 C ATOM 964 CG GLU A 63 8.846 1.375 12.118 1.00 0.00 C ATOM 965 CD GLU A 63 9.623 1.622 13.416 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.240 2.526 14.195 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.637 0.927 13.649 1.00 0.00 O ATOM 0 H GLU A 63 5.451 2.152 11.115 1.00 0.00 H new ATOM 0 HA GLU A 63 7.390 0.074 10.324 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.896 1.379 13.040 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.615 -0.213 12.903 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.429 0.727 11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.708 2.320 11.592 1.00 0.00 H new ATOM 974 N MET A 64 5.864 -1.763 11.041 1.00 0.00 N ATOM 975 CA MET A 64 4.891 -2.860 11.077 1.00 0.00 C ATOM 976 C MET A 64 5.554 -4.210 11.378 1.00 0.00 C ATOM 977 O MET A 64 6.711 -4.447 11.027 1.00 0.00 O ATOM 978 CB MET A 64 4.115 -2.926 9.748 1.00 0.00 C ATOM 979 CG MET A 64 5.058 -3.002 8.543 1.00 0.00 C ATOM 980 SD MET A 64 4.303 -3.532 6.994 1.00 0.00 S ATOM 981 CE MET A 64 5.808 -4.234 6.286 1.00 0.00 C ATOM 0 H MET A 64 6.805 -2.074 10.801 1.00 0.00 H new ATOM 0 HA MET A 64 4.195 -2.654 11.890 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.460 -3.797 9.752 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.477 -2.047 9.655 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.504 -2.019 8.391 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.871 -3.687 8.783 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.700 -4.311 5.204 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.655 -3.590 6.521 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.979 -5.226 6.705 1.00 0.00 H new ATOM 991 N LEU A 65 4.789 -5.099 12.012 1.00 0.00 N ATOM 992 CA LEU A 65 5.175 -6.462 12.363 1.00 0.00 C ATOM 993 C LEU A 65 4.521 -7.452 11.394 1.00 0.00 C ATOM 994 O LEU A 65 3.366 -7.288 10.995 1.00 0.00 O ATOM 995 CB LEU A 65 4.755 -6.745 13.824 1.00 0.00 C ATOM 996 CG LEU A 65 5.798 -7.456 14.707 1.00 0.00 C ATOM 997 CD1 LEU A 65 6.221 -8.840 14.205 1.00 0.00 C ATOM 998 CD2 LEU A 65 7.019 -6.556 14.913 1.00 0.00 C ATOM 0 H LEU A 65 3.839 -4.876 12.308 1.00 0.00 H new ATOM 0 HA LEU A 65 6.256 -6.579 12.282 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.496 -5.797 14.296 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.849 -7.351 13.809 1.00 0.00 H new ATOM 0 HG LEU A 65 5.304 -7.638 15.661 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.957 -9.265 14.888 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.349 -9.492 14.159 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.659 -8.748 13.211 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.749 -7.070 15.539 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.468 -6.325 13.947 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.711 -5.631 15.400 1.00 0.00 H new ATOM 1010 N ILE A 66 5.271 -8.489 11.040 1.00 0.00 N ATOM 1011 CA ILE A 66 4.844 -9.563 10.119 1.00 0.00 C ATOM 1012 C ILE A 66 4.830 -10.938 10.821 1.00 0.00 C ATOM 1013 O ILE A 66 4.616 -11.015 12.030 1.00 0.00 O ATOM 1014 CB ILE A 66 5.652 -9.498 8.807 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.142 -9.862 9.009 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.470 -8.108 8.159 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.582 -11.053 8.146 1.00 0.00 C ATOM 0 H ILE A 66 6.220 -8.620 11.389 1.00 0.00 H new ATOM 0 HA ILE A 66 3.806 -9.406 9.826 1.00 0.00 H new ATOM 0 HB ILE A 66 5.262 -10.254 8.125 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.759 -8.996 8.769 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.316 -10.096 10.059 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.041 -8.061 7.232 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.414 -7.942 7.944 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.826 -7.338 8.843 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.636 -11.265 8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.986 -11.929 8.404 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.437 -10.813 7.093 1.00 0.00 H new ATOM 1029 N ALA A 67 5.068 -12.030 10.089 1.00 0.00 N ATOM 1030 CA ALA A 67 5.138 -13.395 10.618 1.00 0.00 C ATOM 1031 C ALA A 67 6.237 -13.641 11.681 1.00 0.00 C ATOM 1032 O ALA A 67 6.185 -14.653 12.385 1.00 0.00 O ATOM 1033 CB ALA A 67 5.356 -14.324 9.417 1.00 0.00 C ATOM 0 H ALA A 67 5.222 -11.987 9.082 1.00 0.00 H new ATOM 0 HA ALA A 67 4.206 -13.589 11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.415 -15.356 9.762 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.523 -14.221 8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.285 -14.056 8.914 1.00 0.00 H new ATOM 1039 N GLY A 68 7.217 -12.734 11.814 1.00 0.00 N ATOM 1040 CA GLY A 68 8.300 -12.841 12.803 1.00 0.00 C ATOM 1041 C GLY A 68 9.336 -11.707 12.824 1.00 0.00 C ATOM 1042 O GLY A 68 10.383 -11.874 13.451 1.00 0.00 O ATOM 0 H GLY A 68 7.280 -11.898 11.233 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.850 -12.908 13.793 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.827 -13.779 12.629 1.00 0.00 H new ATOM 1046 N PHE A 69 9.074 -10.577 12.151 1.00 0.00 N ATOM 1047 CA PHE A 69 10.049 -9.505 11.899 1.00 0.00 C ATOM 1048 C PHE A 69 9.390 -8.117 11.832 1.00 0.00 C ATOM 1049 O PHE A 69 8.238 -7.986 11.411 1.00 0.00 O ATOM 1050 CB PHE A 69 10.792 -9.787 10.577 1.00 0.00 C ATOM 1051 CG PHE A 69 11.587 -11.080 10.543 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.877 -11.127 11.106 1.00 0.00 C ATOM 1053 CD2 PHE A 69 11.036 -12.242 9.968 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.609 -12.327 11.097 1.00 0.00 C ATOM 1055 CE2 PHE A 69 11.771 -13.441 9.955 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.058 -13.485 10.519 1.00 0.00 C ATOM 0 H PHE A 69 8.155 -10.378 11.757 1.00 0.00 H new ATOM 0 HA PHE A 69 10.748 -9.494 12.735 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.063 -9.806 9.767 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.470 -8.957 10.376 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.305 -10.238 11.546 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.047 -12.212 9.536 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.596 -12.360 11.534 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.346 -14.329 9.511 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.622 -14.406 10.509 1.00 0.00 H new ATOM 1066 N LEU A 70 10.145 -7.080 12.212 1.00 0.00 N ATOM 1067 CA LEU A 70 9.782 -5.671 12.024 1.00 0.00 C ATOM 1068 C LEU A 70 10.312 -5.209 10.659 1.00 0.00 C ATOM 1069 O LEU A 70 11.511 -5.292 10.387 1.00 0.00 O ATOM 1070 CB LEU A 70 10.377 -4.841 13.185 1.00 0.00 C ATOM 1071 CG LEU A 70 9.829 -3.414 13.430 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.859 -2.490 12.207 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.409 -3.434 14.008 1.00 0.00 C ATOM 0 H LEU A 70 11.048 -7.201 12.670 1.00 0.00 H new ATOM 0 HA LEU A 70 8.701 -5.535 12.035 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.240 -5.411 14.104 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.451 -4.759 13.018 1.00 0.00 H new ATOM 0 HG LEU A 70 10.524 -2.996 14.158 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.455 -1.514 12.478 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.887 -2.375 11.863 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.256 -2.923 11.409 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.065 -2.411 14.164 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.740 -3.940 13.312 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.411 -3.965 14.960 1.00 0.00 H new ATOM 1085 N TYR A 71 9.421 -4.674 9.830 1.00 0.00 N ATOM 1086 CA TYR A 71 9.751 -4.024 8.557 1.00 0.00 C ATOM 1087 C TYR A 71 9.358 -2.536 8.557 1.00 0.00 C ATOM 1088 O TYR A 71 8.269 -2.156 8.998 1.00 0.00 O ATOM 1089 CB TYR A 71 9.108 -4.780 7.390 1.00 0.00 C ATOM 1090 CG TYR A 71 9.582 -6.204 7.142 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.935 -6.579 7.282 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.643 -7.172 6.745 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.334 -7.914 7.066 1.00 0.00 C ATOM 1094 CE2 TYR A 71 9.025 -8.507 6.556 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.375 -8.886 6.709 1.00 0.00 C ATOM 1096 OH TYR A 71 10.749 -10.183 6.515 1.00 0.00 O ATOM 0 H TYR A 71 8.420 -4.679 10.027 1.00 0.00 H new ATOM 0 HA TYR A 71 10.833 -4.060 8.430 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.031 -4.806 7.556 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.276 -4.204 6.480 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.671 -5.838 7.557 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.615 -6.883 6.584 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.372 -8.192 7.174 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.284 -9.247 6.293 1.00 0.00 H new ATOM 0 HH TYR A 71 9.963 -10.718 6.276 1.00 0.00 H new ATOM 1106 N VAL A 72 10.274 -1.698 8.070 1.00 0.00 N ATOM 1107 CA VAL A 72 10.135 -0.244 7.953 1.00 0.00 C ATOM 1108 C VAL A 72 9.572 0.077 6.565 1.00 0.00 C ATOM 1109 O VAL A 72 10.250 -0.095 5.551 1.00 0.00 O ATOM 1110 CB VAL A 72 11.479 0.487 8.180 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.295 2.014 8.178 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.145 0.071 9.503 1.00 0.00 C ATOM 0 H VAL A 72 11.177 -2.030 7.730 1.00 0.00 H new ATOM 0 HA VAL A 72 9.455 0.110 8.728 1.00 0.00 H new ATOM 0 HB VAL A 72 12.125 0.196 7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.259 2.497 8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.888 2.330 7.218 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.608 2.299 8.975 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.086 0.609 9.622 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.483 0.311 10.335 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.339 -1.002 9.491 1.00 0.00 H new ATOM 1122 N ALA A 73 8.321 0.529 6.543 1.00 0.00 N ATOM 1123 CA ALA A 73 7.575 0.918 5.356 1.00 0.00 C ATOM 1124 C ALA A 73 7.917 2.350 4.933 1.00 0.00 C ATOM 1125 O ALA A 73 7.382 3.313 5.480 1.00 0.00 O ATOM 1126 CB ALA A 73 6.084 0.747 5.667 1.00 0.00 C ATOM 0 H ALA A 73 7.775 0.638 7.398 1.00 0.00 H new ATOM 0 HA ALA A 73 7.845 0.285 4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.495 1.031 4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.882 -0.294 5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.813 1.382 6.510 1.00 0.00 H new ATOM 1132 N ASP A 74 8.803 2.494 3.951 1.00 0.00 N ATOM 1133 CA ASP A 74 9.206 3.775 3.377 1.00 0.00 C ATOM 1134 C ASP A 74 8.253 4.193 2.248 1.00 0.00 C ATOM 1135 O ASP A 74 8.207 3.555 1.191 1.00 0.00 O ATOM 1136 CB ASP A 74 10.661 3.675 2.901 1.00 0.00 C ATOM 1137 CG ASP A 74 11.142 5.004 2.310 1.00 0.00 C ATOM 1138 OD1 ASP A 74 11.400 5.949 3.090 1.00 0.00 O ATOM 1139 OD2 ASP A 74 11.226 5.102 1.065 1.00 0.00 O ATOM 0 H ASP A 74 9.274 1.699 3.520 1.00 0.00 H new ATOM 0 HA ASP A 74 9.146 4.555 4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.301 3.392 3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.748 2.888 2.152 1.00 0.00 H new ATOM 1144 N LEU A 75 7.504 5.281 2.480 1.00 0.00 N ATOM 1145 CA LEU A 75 6.556 5.875 1.532 1.00 0.00 C ATOM 1146 C LEU A 75 7.249 6.593 0.362 1.00 0.00 C ATOM 1147 O LEU A 75 6.670 6.686 -0.717 1.00 0.00 O ATOM 1148 CB LEU A 75 5.653 6.867 2.300 1.00 0.00 C ATOM 1149 CG LEU A 75 4.496 6.223 3.092 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.006 7.161 4.207 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.351 5.907 2.131 1.00 0.00 C ATOM 0 H LEU A 75 7.545 5.788 3.364 1.00 0.00 H new ATOM 0 HA LEU A 75 5.968 5.069 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.273 7.437 2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.234 7.578 1.588 1.00 0.00 H new ATOM 0 HG LEU A 75 4.852 5.305 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.190 6.685 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.827 7.370 4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.653 8.094 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.529 5.451 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.006 6.828 1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.700 5.216 1.364 1.00 0.00 H new ATOM 1163 N GLU A 76 8.479 7.081 0.558 1.00 0.00 N ATOM 1164 CA GLU A 76 9.196 7.913 -0.418 1.00 0.00 C ATOM 1165 C GLU A 76 9.616 7.127 -1.668 1.00 0.00 C ATOM 1166 O GLU A 76 9.398 7.575 -2.796 1.00 0.00 O ATOM 1167 CB GLU A 76 10.449 8.520 0.234 1.00 0.00 C ATOM 1168 CG GLU A 76 10.150 9.510 1.366 1.00 0.00 C ATOM 1169 CD GLU A 76 9.466 10.786 0.851 1.00 0.00 C ATOM 1170 OE1 GLU A 76 10.172 11.682 0.330 1.00 0.00 O ATOM 1171 OE2 GLU A 76 8.225 10.906 0.971 1.00 0.00 O ATOM 0 H GLU A 76 9.012 6.908 1.410 1.00 0.00 H new ATOM 0 HA GLU A 76 8.507 8.697 -0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.068 7.713 0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.034 9.028 -0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.511 9.030 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.079 9.775 1.870 1.00 0.00 H new ATOM 1178 N ASN A 77 10.200 5.943 -1.468 1.00 0.00 N ATOM 1179 CA ASN A 77 10.649 5.028 -2.523 1.00 0.00 C ATOM 1180 C ASN A 77 9.657 3.867 -2.745 1.00 0.00 C ATOM 1181 O ASN A 77 9.839 3.070 -3.667 1.00 0.00 O ATOM 1182 CB ASN A 77 12.045 4.493 -2.158 1.00 0.00 C ATOM 1183 CG ASN A 77 13.077 5.600 -1.958 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.766 6.006 -2.886 1.00 0.00 O ATOM 1185 ND2 ASN A 77 13.218 6.111 -0.748 1.00 0.00 N ATOM 0 H ASN A 77 10.380 5.581 -0.532 1.00 0.00 H new ATOM 0 HA ASN A 77 10.697 5.579 -3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.974 3.902 -1.245 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.388 3.823 -2.946 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.904 6.848 -0.582 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.641 5.769 0.021 1.00 0.00 H new ATOM 1192 N MET A 78 8.631 3.763 -1.886 1.00 0.00 N ATOM 1193 CA MET A 78 7.638 2.672 -1.819 1.00 0.00 C ATOM 1194 C MET A 78 8.317 1.311 -1.585 1.00 0.00 C ATOM 1195 O MET A 78 8.232 0.417 -2.429 1.00 0.00 O ATOM 1196 CB MET A 78 6.719 2.657 -3.060 1.00 0.00 C ATOM 1197 CG MET A 78 5.869 3.926 -3.234 1.00 0.00 C ATOM 1198 SD MET A 78 4.103 3.728 -2.872 1.00 0.00 S ATOM 1199 CE MET A 78 4.162 3.602 -1.070 1.00 0.00 C ATOM 0 H MET A 78 8.460 4.477 -1.178 1.00 0.00 H new ATOM 0 HA MET A 78 6.997 2.864 -0.958 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.333 2.520 -3.950 1.00 0.00 H new ATOM 0 HB3 MET A 78 6.055 1.795 -2.995 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.271 4.705 -2.586 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.976 4.278 -4.260 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.147 3.565 -0.674 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.696 2.695 -0.786 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.679 4.470 -0.661 1.00 0.00 H new ATOM 1209 N VAL A 79 8.989 1.130 -0.444 1.00 0.00 N ATOM 1210 CA VAL A 79 9.720 -0.121 -0.129 1.00 0.00 C ATOM 1211 C VAL A 79 9.638 -0.533 1.343 1.00 0.00 C ATOM 1212 O VAL A 79 9.495 0.303 2.230 1.00 0.00 O ATOM 1213 CB VAL A 79 11.212 -0.101 -0.557 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.412 0.057 -2.072 1.00 0.00 C ATOM 1215 CG2 VAL A 79 12.030 0.968 0.184 1.00 0.00 C ATOM 0 H VAL A 79 9.047 1.836 0.289 1.00 0.00 H new ATOM 0 HA VAL A 79 9.195 -0.865 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 79 11.586 -1.084 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.478 0.063 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.935 -0.775 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.965 0.995 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.065 0.935 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.612 1.953 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.994 0.775 1.256 1.00 0.00 H new ATOM 1225 N GLN A 80 9.774 -1.837 1.585 1.00 0.00 N ATOM 1226 CA GLN A 80 9.954 -2.451 2.896 1.00 0.00 C ATOM 1227 C GLN A 80 11.392 -2.924 3.081 1.00 0.00 C ATOM 1228 O GLN A 80 11.970 -3.506 2.166 1.00 0.00 O ATOM 1229 CB GLN A 80 9.037 -3.679 3.010 1.00 0.00 C ATOM 1230 CG GLN A 80 7.553 -3.336 2.910 1.00 0.00 C ATOM 1231 CD GLN A 80 7.054 -2.422 4.018 1.00 0.00 C ATOM 1232 OE1 GLN A 80 7.749 -2.129 4.978 1.00 0.00 O ATOM 1233 NE2 GLN A 80 5.828 -1.954 3.942 1.00 0.00 N ATOM 0 H GLN A 80 9.761 -2.526 0.833 1.00 0.00 H new ATOM 0 HA GLN A 80 9.713 -1.707 3.656 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.292 -4.389 2.223 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.224 -4.177 3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.365 -2.860 1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.975 -4.260 2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.239 -2.193 3.144 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.465 -1.352 4.681 1.00 0.00 H new ATOM 1242 N TYR A 81 11.937 -2.736 4.283 1.00 0.00 N ATOM 1243 CA TYR A 81 13.219 -3.302 4.725 1.00 0.00 C ATOM 1244 C TYR A 81 13.275 -3.507 6.247 1.00 0.00 C ATOM 1245 O TYR A 81 12.557 -2.846 7.002 1.00 0.00 O ATOM 1246 CB TYR A 81 14.391 -2.447 4.217 1.00 0.00 C ATOM 1247 CG TYR A 81 14.271 -0.942 4.396 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.391 -0.351 5.670 1.00 0.00 C ATOM 1249 CD2 TYR A 81 14.089 -0.127 3.263 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.331 1.050 5.808 1.00 0.00 C ATOM 1251 CE2 TYR A 81 14.033 1.271 3.390 1.00 0.00 C ATOM 1252 CZ TYR A 81 14.150 1.867 4.667 1.00 0.00 C ATOM 1253 OH TYR A 81 14.100 3.222 4.790 1.00 0.00 O ATOM 0 H TYR A 81 11.487 -2.168 5.001 1.00 0.00 H new ATOM 0 HA TYR A 81 13.309 -4.295 4.284 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.297 -2.778 4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.526 -2.653 3.155 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.529 -0.973 6.542 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.992 -0.580 2.288 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.423 1.500 6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.901 1.889 2.514 1.00 0.00 H new ATOM 0 HH TYR A 81 13.972 3.626 3.906 1.00 0.00 H new ATOM 1263 N ARG A 82 14.131 -4.423 6.707 1.00 0.00 N ATOM 1264 CA ARG A 82 14.369 -4.701 8.132 1.00 0.00 C ATOM 1265 C ARG A 82 15.216 -3.587 8.770 1.00 0.00 C ATOM 1266 O ARG A 82 16.152 -3.088 8.147 1.00 0.00 O ATOM 1267 CB ARG A 82 15.026 -6.089 8.242 1.00 0.00 C ATOM 1268 CG ARG A 82 15.283 -6.539 9.687 1.00 0.00 C ATOM 1269 CD ARG A 82 15.815 -7.977 9.730 1.00 0.00 C ATOM 1270 NE ARG A 82 16.316 -8.305 11.074 1.00 0.00 N ATOM 1271 CZ ARG A 82 16.762 -9.483 11.492 1.00 0.00 C ATOM 1272 NH1 ARG A 82 16.755 -10.551 10.722 1.00 0.00 N ATOM 1273 NH2 ARG A 82 17.237 -9.593 12.713 1.00 0.00 N ATOM 0 H ARG A 82 14.692 -5.007 6.087 1.00 0.00 H new ATOM 0 HA ARG A 82 13.431 -4.714 8.687 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.387 -6.823 7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.972 -6.077 7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.001 -5.868 10.158 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.359 -6.472 10.262 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.023 -8.672 9.452 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.615 -8.096 8.999 1.00 0.00 H new ATOM 0 HE ARG A 82 16.321 -7.547 11.756 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.398 -10.490 9.768 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.106 -11.439 11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.260 -8.779 13.327 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.583 -10.493 13.047 1.00 0.00 H new ATOM 1287 N ARG A 83 14.935 -3.225 10.031 1.00 0.00 N ATOM 1288 CA ARG A 83 15.650 -2.157 10.767 1.00 0.00 C ATOM 1289 C ARG A 83 17.185 -2.319 10.799 1.00 0.00 C ATOM 1290 O ARG A 83 17.907 -1.324 10.879 1.00 0.00 O ATOM 1291 CB ARG A 83 15.133 -2.071 12.213 1.00 0.00 C ATOM 1292 CG ARG A 83 13.735 -1.440 12.323 1.00 0.00 C ATOM 1293 CD ARG A 83 13.208 -1.454 13.769 1.00 0.00 C ATOM 1294 NE ARG A 83 14.121 -0.777 14.713 1.00 0.00 N ATOM 1295 CZ ARG A 83 14.095 0.494 15.098 1.00 0.00 C ATOM 1296 NH1 ARG A 83 13.144 1.331 14.745 1.00 0.00 N ATOM 1297 NH2 ARG A 83 15.057 0.952 15.870 1.00 0.00 N ATOM 0 H ARG A 83 14.197 -3.667 10.580 1.00 0.00 H new ATOM 0 HA ARG A 83 15.441 -1.241 10.215 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.107 -3.073 12.642 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.835 -1.487 12.808 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.771 -0.413 11.960 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.041 -1.981 11.679 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.233 -0.968 13.801 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.061 -2.486 14.088 1.00 0.00 H new ATOM 0 HE ARG A 83 14.859 -1.354 15.117 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.380 1.013 14.148 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.170 2.298 15.068 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.812 0.333 16.166 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.048 1.926 16.172 1.00 0.00 H new ATOM 1311 N ASN A 84 17.692 -3.555 10.714 1.00 0.00 N ATOM 1312 CA ASN A 84 19.126 -3.863 10.768 1.00 0.00 C ATOM 1313 C ASN A 84 19.917 -3.437 9.509 1.00 0.00 C ATOM 1314 O ASN A 84 21.120 -3.193 9.616 1.00 0.00 O ATOM 1315 CB ASN A 84 19.309 -5.366 11.047 1.00 0.00 C ATOM 1316 CG ASN A 84 18.729 -5.779 12.397 1.00 0.00 C ATOM 1317 OD1 ASN A 84 17.560 -6.133 12.507 1.00 0.00 O ATOM 1318 ND2 ASN A 84 19.513 -5.743 13.458 1.00 0.00 N ATOM 0 H ASN A 84 17.107 -4.383 10.604 1.00 0.00 H new ATOM 0 HA ASN A 84 19.546 -3.268 11.579 1.00 0.00 H new ATOM 0 HB2 ASN A 84 18.828 -5.941 10.256 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.371 -5.612 11.020 1.00 0.00 H new ATOM 0 HD21 ASN A 84 19.147 -6.010 14.372 1.00 0.00 H new ATOM 0 HD22 ASN A 84 20.485 -5.448 13.364 1.00 0.00 H new ATOM 1325 N GLU A 85 19.271 -3.316 8.338 1.00 0.00 N ATOM 1326 CA GLU A 85 19.881 -2.824 7.092 1.00 0.00 C ATOM 1327 C GLU A 85 18.820 -2.443 6.044 1.00 0.00 C ATOM 1328 O GLU A 85 17.934 -3.226 5.708 1.00 0.00 O ATOM 1329 CB GLU A 85 20.912 -3.816 6.509 1.00 0.00 C ATOM 1330 CG GLU A 85 20.380 -5.220 6.192 1.00 0.00 C ATOM 1331 CD GLU A 85 21.512 -6.120 5.677 1.00 0.00 C ATOM 1332 OE1 GLU A 85 21.815 -6.077 4.461 1.00 0.00 O ATOM 1333 OE2 GLU A 85 22.107 -6.876 6.482 1.00 0.00 O ATOM 0 H GLU A 85 18.287 -3.563 8.229 1.00 0.00 H new ATOM 0 HA GLU A 85 20.424 -1.917 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 85 21.323 -3.388 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 85 21.737 -3.911 7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.937 -5.658 7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.590 -5.156 5.444 1.00 0.00 H new ATOM 1340 N HIS A 86 18.932 -1.234 5.491 1.00 0.00 N ATOM 1341 CA HIS A 86 18.014 -0.694 4.477 1.00 0.00 C ATOM 1342 C HIS A 86 18.292 -1.183 3.038 1.00 0.00 C ATOM 1343 O HIS A 86 17.454 -1.018 2.149 1.00 0.00 O ATOM 1344 CB HIS A 86 18.081 0.835 4.554 1.00 0.00 C ATOM 1345 CG HIS A 86 19.436 1.397 4.209 1.00 0.00 C ATOM 1346 ND1 HIS A 86 20.499 1.551 5.103 1.00 0.00 N ATOM 1347 CD2 HIS A 86 19.846 1.770 2.964 1.00 0.00 C ATOM 1348 CE1 HIS A 86 21.520 2.027 4.371 1.00 0.00 C ATOM 1349 NE2 HIS A 86 21.158 2.170 3.083 1.00 0.00 N ATOM 0 H HIS A 86 19.679 -0.586 5.739 1.00 0.00 H new ATOM 0 HA HIS A 86 17.014 -1.064 4.703 1.00 0.00 H new ATOM 0 HB2 HIS A 86 17.338 1.258 3.877 1.00 0.00 H new ATOM 0 HB3 HIS A 86 17.811 1.152 5.561 1.00 0.00 H new ATOM 0 HD2 HIS A 86 19.256 1.755 2.059 1.00 0.00 H new ATOM 0 HE1 HIS A 86 22.498 2.263 4.763 1.00 0.00 H new ATOM 0 HE2 HIS A 86 21.751 2.514 2.328 1.00 0.00 H new ATOM 1357 N GLY A 87 19.482 -1.756 2.811 1.00 0.00 N ATOM 1358 CA GLY A 87 19.999 -2.180 1.501 1.00 0.00 C ATOM 1359 C GLY A 87 19.110 -3.234 0.843 1.00 0.00 C ATOM 1360 O GLY A 87 18.490 -2.953 -0.185 1.00 0.00 O ATOM 0 H GLY A 87 20.139 -1.945 3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 87 20.077 -1.313 0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 87 21.006 -2.580 1.622 1.00 0.00 H new ATOM 1364 N ARG A 88 18.998 -4.421 1.454 1.00 0.00 N ATOM 1365 CA ARG A 88 18.000 -5.424 1.053 1.00 0.00 C ATOM 1366 C ARG A 88 16.596 -4.885 1.352 1.00 0.00 C ATOM 1367 O ARG A 88 16.268 -4.592 2.503 1.00 0.00 O ATOM 1368 CB ARG A 88 18.229 -6.769 1.771 1.00 0.00 C ATOM 1369 CG ARG A 88 19.155 -7.746 1.021 1.00 0.00 C ATOM 1370 CD ARG A 88 18.699 -8.132 -0.402 1.00 0.00 C ATOM 1371 NE ARG A 88 17.267 -8.491 -0.458 1.00 0.00 N ATOM 1372 CZ ARG A 88 16.306 -7.881 -1.142 1.00 0.00 C ATOM 1373 NH1 ARG A 88 16.548 -6.934 -2.029 1.00 0.00 N ATOM 1374 NH2 ARG A 88 15.053 -8.197 -0.927 1.00 0.00 N ATOM 0 H ARG A 88 19.590 -4.712 2.232 1.00 0.00 H new ATOM 0 HA ARG A 88 18.101 -5.609 -0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 88 18.651 -6.573 2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.264 -7.251 1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 88 20.148 -7.302 0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 88 19.250 -8.656 1.613 1.00 0.00 H new ATOM 0 HD2 ARG A 88 18.889 -7.299 -1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 88 19.295 -8.973 -0.756 1.00 0.00 H new ATOM 0 HE ARG A 88 16.984 -9.301 0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 88 17.508 -6.641 -2.214 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.775 -6.495 -2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.818 -8.910 -0.236 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.312 -7.730 -1.451 1.00 0.00 H new ATOM 1388 N ARG A 89 15.786 -4.751 0.299 1.00 0.00 N ATOM 1389 CA ARG A 89 14.460 -4.119 0.320 1.00 0.00 C ATOM 1390 C ARG A 89 13.524 -4.695 -0.754 1.00 0.00 C ATOM 1391 O ARG A 89 13.983 -5.353 -1.693 1.00 0.00 O ATOM 1392 CB ARG A 89 14.609 -2.588 0.233 1.00 0.00 C ATOM 1393 CG ARG A 89 15.119 -2.073 -1.123 1.00 0.00 C ATOM 1394 CD ARG A 89 15.680 -0.653 -1.002 1.00 0.00 C ATOM 1395 NE ARG A 89 16.116 -0.125 -2.307 1.00 0.00 N ATOM 1396 CZ ARG A 89 17.269 -0.360 -2.927 1.00 0.00 C ATOM 1397 NH1 ARG A 89 18.188 -1.165 -2.436 1.00 0.00 N ATOM 1398 NH2 ARG A 89 17.514 0.224 -4.079 1.00 0.00 N ATOM 0 H ARG A 89 16.043 -5.092 -0.627 1.00 0.00 H new ATOM 0 HA ARG A 89 13.978 -4.352 1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.642 -2.129 0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.294 -2.257 1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.893 -2.741 -1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.306 -2.085 -1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.919 0.004 -0.580 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.522 -0.652 -0.310 1.00 0.00 H new ATOM 0 HE ARG A 89 15.460 0.490 -2.789 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.029 -1.637 -1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.058 -1.316 -2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.823 0.851 -4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.395 0.050 -4.562 1.00 0.00 H new ATOM 1412 N ARG A 90 12.217 -4.458 -0.602 1.00 0.00 N ATOM 1413 CA ARG A 90 11.144 -5.010 -1.448 1.00 0.00 C ATOM 1414 C ARG A 90 10.125 -3.930 -1.803 1.00 0.00 C ATOM 1415 O ARG A 90 9.595 -3.276 -0.907 1.00 0.00 O ATOM 1416 CB ARG A 90 10.420 -6.144 -0.702 1.00 0.00 C ATOM 1417 CG ARG A 90 11.333 -7.337 -0.405 1.00 0.00 C ATOM 1418 CD ARG A 90 10.551 -8.431 0.320 1.00 0.00 C ATOM 1419 NE ARG A 90 11.421 -9.583 0.573 1.00 0.00 N ATOM 1420 CZ ARG A 90 11.111 -10.863 0.501 1.00 0.00 C ATOM 1421 NH1 ARG A 90 9.911 -11.317 0.197 1.00 0.00 N ATOM 1422 NH2 ARG A 90 12.073 -11.703 0.745 1.00 0.00 N ATOM 0 H ARG A 90 11.860 -3.855 0.139 1.00 0.00 H new ATOM 0 HA ARG A 90 11.598 -5.392 -2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.018 -5.758 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.572 -6.481 -1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.745 -7.729 -1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.176 -7.016 0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.159 -8.047 1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.694 -8.736 -0.281 1.00 0.00 H new ATOM 0 HE ARG A 90 12.383 -9.369 0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.153 -10.663 -0.000 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.740 -12.322 0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.005 -11.358 0.976 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.896 -12.707 0.705 1.00 0.00 H new ATOM 1436 N LYS A 91 9.833 -3.752 -3.093 1.00 0.00 N ATOM 1437 CA LYS A 91 8.842 -2.793 -3.591 1.00 0.00 C ATOM 1438 C LYS A 91 7.409 -3.119 -3.131 1.00 0.00 C ATOM 1439 O LYS A 91 7.016 -4.285 -3.020 1.00 0.00 O ATOM 1440 CB LYS A 91 8.951 -2.723 -5.130 1.00 0.00 C ATOM 1441 CG LYS A 91 9.383 -1.347 -5.663 1.00 0.00 C ATOM 1442 CD LYS A 91 8.263 -0.292 -5.696 1.00 0.00 C ATOM 1443 CE LYS A 91 7.201 -0.581 -6.766 1.00 0.00 C ATOM 1444 NZ LYS A 91 6.035 0.332 -6.636 1.00 0.00 N ATOM 0 H LYS A 91 10.288 -4.281 -3.837 1.00 0.00 H new ATOM 0 HA LYS A 91 9.062 -1.814 -3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.666 -3.473 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.986 -2.983 -5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.199 -0.972 -5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.778 -1.470 -6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.784 -0.248 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.700 0.689 -5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.642 -0.471 -7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.867 -1.615 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.384 0.179 -7.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.540 0.138 -5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.364 1.319 -6.642 1.00 0.00 H new ATOM 1458 N ILE A 92 6.614 -2.071 -2.902 1.00 0.00 N ATOM 1459 CA ILE A 92 5.190 -2.139 -2.525 1.00 0.00 C ATOM 1460 C ILE A 92 4.342 -1.188 -3.378 1.00 0.00 C ATOM 1461 O ILE A 92 4.875 -0.364 -4.125 1.00 0.00 O ATOM 1462 CB ILE A 92 4.999 -1.907 -1.005 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.278 -0.446 -0.601 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.841 -2.914 -0.218 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.515 -0.191 0.894 1.00 0.00 C ATOM 0 H ILE A 92 6.953 -1.112 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 92 4.832 -3.147 -2.734 1.00 0.00 H new ATOM 0 HB ILE A 92 3.952 -2.079 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.153 -0.099 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.436 0.166 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.704 -2.747 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.527 -3.927 -0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.893 -2.786 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.701 0.871 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.635 -0.497 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.379 -0.766 1.229 1.00 0.00 H new ATOM 1477 N LYS A 93 3.021 -1.311 -3.271 1.00 0.00 N ATOM 1478 CA LYS A 93 2.040 -0.509 -4.015 1.00 0.00 C ATOM 1479 C LYS A 93 0.680 -0.420 -3.295 1.00 0.00 C ATOM 1480 O LYS A 93 0.391 -1.212 -2.393 1.00 0.00 O ATOM 1481 CB LYS A 93 1.894 -1.064 -5.452 1.00 0.00 C ATOM 1482 CG LYS A 93 1.288 -2.479 -5.497 1.00 0.00 C ATOM 1483 CD LYS A 93 0.924 -2.897 -6.926 1.00 0.00 C ATOM 1484 CE LYS A 93 0.319 -4.308 -6.920 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.723 -4.461 -7.965 1.00 0.00 N ATOM 0 H LYS A 93 2.586 -1.990 -2.647 1.00 0.00 H new ATOM 0 HA LYS A 93 2.413 0.514 -4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.267 -0.388 -6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.874 -1.080 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.999 -3.192 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.397 -2.513 -4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.213 -2.189 -7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.812 -2.875 -7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.107 -5.043 -7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.114 -4.515 -5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.964 -5.467 -8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.573 -3.928 -7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.364 -4.095 -8.870 1.00 0.00 H new ATOM 1499 N ARG A 94 -0.164 0.516 -3.744 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.578 0.644 -3.358 1.00 0.00 C ATOM 1501 C ARG A 94 -2.501 0.286 -4.532 1.00 0.00 C ATOM 1502 O ARG A 94 -2.165 0.510 -5.696 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.877 2.077 -2.886 1.00 0.00 C ATOM 1504 CG ARG A 94 -1.234 2.400 -1.529 1.00 0.00 C ATOM 1505 CD ARG A 94 -1.472 3.853 -1.090 1.00 0.00 C ATOM 1506 NE ARG A 94 -2.890 4.138 -0.797 1.00 0.00 N ATOM 1507 CZ ARG A 94 -3.777 4.738 -1.582 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -3.493 5.131 -2.808 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -4.984 4.962 -1.124 1.00 0.00 N ATOM 0 H ARG A 94 0.127 1.232 -4.410 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.766 -0.051 -2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.515 2.784 -3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.956 2.214 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.635 1.726 -0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.162 2.213 -1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.874 4.062 -0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.126 4.526 -1.874 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.229 3.838 0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.559 4.978 -3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.207 5.588 -3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.231 4.676 -0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.677 5.422 -1.715 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.685 -0.220 -4.209 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.781 -0.567 -5.122 1.00 0.00 C ATOM 1525 C ASP A 95 -6.144 -0.299 -4.453 1.00 0.00 C ATOM 1526 O ASP A 95 -6.227 -0.073 -3.245 1.00 0.00 O ATOM 1527 CB ASP A 95 -4.650 -2.042 -5.559 1.00 0.00 C ATOM 1528 CG ASP A 95 -3.794 -2.210 -6.824 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -4.221 -1.723 -7.898 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -2.729 -2.868 -6.760 1.00 0.00 O ATOM 0 H ASP A 95 -3.927 -0.414 -3.237 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.720 0.060 -6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -4.209 -2.620 -4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -5.643 -2.453 -5.740 1.00 0.00 H new ATOM 1535 N ILE A 96 -7.223 -0.315 -5.243 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.600 -0.045 -4.798 1.00 0.00 C ATOM 1537 C ILE A 96 -9.492 -1.248 -5.100 1.00 0.00 C ATOM 1538 O ILE A 96 -9.455 -1.815 -6.194 1.00 0.00 O ATOM 1539 CB ILE A 96 -9.165 1.228 -5.479 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -8.274 2.465 -5.244 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.605 1.503 -4.992 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.262 2.942 -3.792 1.00 0.00 C ATOM 0 H ILE A 96 -7.163 -0.522 -6.240 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.585 0.127 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.177 1.040 -6.553 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.254 2.231 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.620 3.278 -5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.989 2.400 -5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.242 0.654 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.602 1.649 -3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.615 3.815 -3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.274 3.207 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.888 2.144 -3.150 1.00 0.00 H new ATOM 1554 N ILE A 97 -10.325 -1.610 -4.125 1.00 0.00 N ATOM 1555 CA ILE A 97 -11.379 -2.622 -4.279 1.00 0.00 C ATOM 1556 C ILE A 97 -12.691 -1.971 -4.734 1.00 0.00 C ATOM 1557 O ILE A 97 -13.073 -0.913 -4.233 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.604 -3.402 -2.973 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -10.317 -4.028 -2.416 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.657 -4.497 -3.190 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.544 -3.069 -1.499 1.00 0.00 C ATOM 0 H ILE A 97 -10.289 -1.204 -3.190 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.049 -3.326 -5.043 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.954 -2.680 -2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.567 -4.932 -1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.676 -4.329 -3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.810 -5.044 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.597 -4.041 -3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -12.313 -5.184 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.643 -3.562 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.267 -2.175 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.172 -2.788 -0.654 1.00 0.00 H new ATOM 1573 N ASP A 98 -13.412 -2.646 -5.630 1.00 0.00 N ATOM 1574 CA ASP A 98 -14.702 -2.182 -6.166 1.00 0.00 C ATOM 1575 C ASP A 98 -15.942 -2.883 -5.568 1.00 0.00 C ATOM 1576 O ASP A 98 -17.014 -2.280 -5.539 1.00 0.00 O ATOM 1577 CB ASP A 98 -14.661 -2.319 -7.695 1.00 0.00 C ATOM 1578 CG ASP A 98 -15.855 -1.643 -8.392 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -15.967 -0.395 -8.314 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -16.647 -2.355 -9.054 1.00 0.00 O ATOM 0 H ASP A 98 -13.116 -3.544 -6.012 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.824 -1.140 -5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.735 -1.882 -8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.644 -3.376 -7.959 1.00 0.00 H new ATOM 1585 N ILE A 99 -15.774 -4.114 -5.054 1.00 0.00 N ATOM 1586 CA ILE A 99 -16.767 -4.983 -4.371 1.00 0.00 C ATOM 1587 C ILE A 99 -17.765 -5.619 -5.381 1.00 0.00 C ATOM 1588 O ILE A 99 -18.351 -4.899 -6.197 1.00 0.00 O ATOM 1589 CB ILE A 99 -17.492 -4.261 -3.197 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.520 -3.585 -2.198 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -18.443 -5.196 -2.425 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.661 -4.536 -1.352 1.00 0.00 C ATOM 0 H ILE A 99 -14.864 -4.572 -5.107 1.00 0.00 H new ATOM 0 HA ILE A 99 -16.206 -5.800 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 99 -18.079 -3.480 -3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.855 -2.926 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.101 -2.955 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.922 -4.642 -1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -19.205 -5.581 -3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.876 -6.028 -2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.020 -3.955 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.309 -5.180 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -15.044 -5.150 -2.008 1.00 0.00 H new